USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 719 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 41 THR OG1 : rot -110:sc= -1.51 USER MOD Set 1.2: A 44 MET CE :methyl -162:sc= -0.749 (180deg=-0.0297) USER MOD Set 1.3: A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.06 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0701 K(o=-0.07,f=-0.81) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.77 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -152:sc= 0.612 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=0.000705 USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00112) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 41:sc= 0.834 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc=-2.68e-05 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.718 21.699 -28.373 1.00 0.00 N ATOM 2 CA GLY A 1 -10.009 21.449 -27.759 1.00 0.00 C ATOM 3 C GLY A 1 -10.200 19.993 -27.384 1.00 0.00 C ATOM 4 O GLY A 1 -9.892 19.096 -28.169 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.636 22.708 -28.611 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.961 21.437 -27.709 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.630 21.131 -29.240 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.109 22.067 -26.867 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.799 21.751 -28.446 1.00 0.00 H new ATOM 8 N SER A 2 -10.708 19.756 -26.178 1.00 0.00 N ATOM 9 CA SER A 2 -10.934 18.398 -25.698 1.00 0.00 C ATOM 10 C SER A 2 -12.410 18.171 -25.385 1.00 0.00 C ATOM 11 O SER A 2 -13.059 19.009 -24.759 1.00 0.00 O ATOM 12 CB SER A 2 -10.090 18.128 -24.451 1.00 0.00 C ATOM 13 OG SER A 2 -8.716 18.365 -24.705 1.00 0.00 O ATOM 0 H SER A 2 -10.970 20.487 -25.516 1.00 0.00 H new ATOM 0 HA SER A 2 -10.637 17.706 -26.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.428 18.766 -23.634 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.231 17.096 -24.129 1.00 0.00 H new ATOM 0 HG SER A 2 -8.198 18.187 -23.892 1.00 0.00 H new ATOM 19 N SER A 3 -12.934 17.032 -25.825 1.00 0.00 N ATOM 20 CA SER A 3 -14.334 16.695 -25.596 1.00 0.00 C ATOM 21 C SER A 3 -14.558 16.257 -24.152 1.00 0.00 C ATOM 22 O SER A 3 -15.462 16.746 -23.476 1.00 0.00 O ATOM 23 CB SER A 3 -14.777 15.586 -26.552 1.00 0.00 C ATOM 24 OG SER A 3 -13.968 14.432 -26.405 1.00 0.00 O ATOM 0 H SER A 3 -12.410 16.326 -26.342 1.00 0.00 H new ATOM 0 HA SER A 3 -14.932 17.587 -25.784 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.819 15.330 -26.359 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.722 15.944 -27.580 1.00 0.00 H new ATOM 0 HG SER A 3 -14.273 13.738 -27.026 1.00 0.00 H new ATOM 30 N GLY A 4 -13.727 15.330 -23.686 1.00 0.00 N ATOM 31 CA GLY A 4 -13.850 14.840 -22.325 1.00 0.00 C ATOM 32 C GLY A 4 -13.729 13.331 -22.239 1.00 0.00 C ATOM 33 O GLY A 4 -14.368 12.606 -23.001 1.00 0.00 O ATOM 0 H GLY A 4 -12.971 14.909 -24.226 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.079 15.299 -21.706 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.813 15.148 -21.917 1.00 0.00 H new ATOM 37 N SER A 5 -12.904 12.857 -21.310 1.00 0.00 N ATOM 38 CA SER A 5 -12.697 11.425 -21.131 1.00 0.00 C ATOM 39 C SER A 5 -13.446 10.917 -19.903 1.00 0.00 C ATOM 40 O SER A 5 -13.554 11.616 -18.895 1.00 0.00 O ATOM 41 CB SER A 5 -11.204 11.118 -20.995 1.00 0.00 C ATOM 42 OG SER A 5 -10.553 11.187 -22.252 1.00 0.00 O ATOM 0 H SER A 5 -12.369 13.444 -20.670 1.00 0.00 H new ATOM 0 HA SER A 5 -13.088 10.913 -22.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.745 11.826 -20.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.071 10.124 -20.567 1.00 0.00 H new ATOM 0 HG SER A 5 -9.600 10.989 -22.138 1.00 0.00 H new ATOM 48 N SER A 6 -13.962 9.696 -19.996 1.00 0.00 N ATOM 49 CA SER A 6 -14.705 9.094 -18.894 1.00 0.00 C ATOM 50 C SER A 6 -13.868 9.078 -17.619 1.00 0.00 C ATOM 51 O SER A 6 -12.819 8.438 -17.560 1.00 0.00 O ATOM 52 CB SER A 6 -15.131 7.670 -19.256 1.00 0.00 C ATOM 53 OG SER A 6 -16.012 7.138 -18.282 1.00 0.00 O ATOM 0 H SER A 6 -13.880 9.104 -20.822 1.00 0.00 H new ATOM 0 HA SER A 6 -15.595 9.698 -18.716 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.619 7.670 -20.231 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.250 7.034 -19.340 1.00 0.00 H new ATOM 0 HG SER A 6 -16.271 6.228 -18.537 1.00 0.00 H new ATOM 59 N GLY A 7 -14.341 9.789 -16.599 1.00 0.00 N ATOM 60 CA GLY A 7 -13.624 9.844 -15.338 1.00 0.00 C ATOM 61 C GLY A 7 -14.535 9.636 -14.145 1.00 0.00 C ATOM 62 O GLY A 7 -14.472 10.384 -13.168 1.00 0.00 O ATOM 0 H GLY A 7 -15.207 10.327 -16.624 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.844 9.082 -15.333 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.127 10.810 -15.248 1.00 0.00 H new ATOM 66 N LYS A 8 -15.387 8.619 -14.222 1.00 0.00 N ATOM 67 CA LYS A 8 -16.316 8.315 -13.140 1.00 0.00 C ATOM 68 C LYS A 8 -15.978 6.975 -12.494 1.00 0.00 C ATOM 69 O LYS A 8 -16.867 6.245 -12.057 1.00 0.00 O ATOM 70 CB LYS A 8 -17.753 8.291 -13.666 1.00 0.00 C ATOM 71 CG LYS A 8 -18.362 9.672 -13.832 1.00 0.00 C ATOM 72 CD LYS A 8 -19.869 9.599 -14.015 1.00 0.00 C ATOM 73 CE LYS A 8 -20.438 10.927 -14.489 1.00 0.00 C ATOM 74 NZ LYS A 8 -21.916 10.989 -14.320 1.00 0.00 N ATOM 0 H LYS A 8 -15.453 7.991 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.225 9.096 -12.385 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.771 7.777 -14.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.372 7.710 -12.982 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.130 10.280 -12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -17.914 10.167 -14.693 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.111 8.820 -14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.338 9.317 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -19.974 11.741 -13.931 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -20.186 11.076 -15.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -22.265 11.910 -14.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.361 10.228 -14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.156 10.872 -13.315 1.00 0.00 H new ATOM 88 N GLU A 9 -14.687 6.660 -12.435 1.00 0.00 N ATOM 89 CA GLU A 9 -14.234 5.408 -11.841 1.00 0.00 C ATOM 90 C GLU A 9 -12.983 5.629 -10.994 1.00 0.00 C ATOM 91 O GLU A 9 -11.992 6.183 -11.468 1.00 0.00 O ATOM 92 CB GLU A 9 -13.948 4.374 -12.932 1.00 0.00 C ATOM 93 CG GLU A 9 -15.202 3.816 -13.584 1.00 0.00 C ATOM 94 CD GLU A 9 -14.914 3.122 -14.902 1.00 0.00 C ATOM 95 OE1 GLU A 9 -13.856 2.467 -15.008 1.00 0.00 O ATOM 96 OE2 GLU A 9 -15.746 3.234 -15.826 1.00 0.00 O ATOM 0 H GLU A 9 -13.938 7.254 -12.791 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.028 5.034 -11.195 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -13.322 4.831 -13.699 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -13.376 3.552 -12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -15.678 3.111 -12.903 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.911 4.626 -13.752 1.00 0.00 H new ATOM 103 N GLU A 10 -13.040 5.193 -9.740 1.00 0.00 N ATOM 104 CA GLU A 10 -11.913 5.345 -8.827 1.00 0.00 C ATOM 105 C GLU A 10 -10.603 4.970 -9.514 1.00 0.00 C ATOM 106 O GLU A 10 -10.360 3.802 -9.820 1.00 0.00 O ATOM 107 CB GLU A 10 -12.116 4.478 -7.583 1.00 0.00 C ATOM 108 CG GLU A 10 -10.875 4.362 -6.713 1.00 0.00 C ATOM 109 CD GLU A 10 -11.122 3.563 -5.448 1.00 0.00 C ATOM 110 OE1 GLU A 10 -11.274 2.327 -5.548 1.00 0.00 O ATOM 111 OE2 GLU A 10 -11.163 4.172 -4.359 1.00 0.00 O ATOM 0 H GLU A 10 -13.854 4.732 -9.333 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.859 6.391 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.929 4.895 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.427 3.480 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.077 3.890 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.528 5.360 -6.446 1.00 0.00 H new ATOM 118 N THR A 11 -9.760 5.969 -9.754 1.00 0.00 N ATOM 119 CA THR A 11 -8.476 5.746 -10.405 1.00 0.00 C ATOM 120 C THR A 11 -7.343 6.409 -9.629 1.00 0.00 C ATOM 121 O THR A 11 -7.580 7.111 -8.647 1.00 0.00 O ATOM 122 CB THR A 11 -8.477 6.284 -11.849 1.00 0.00 C ATOM 123 OG1 THR A 11 -9.021 7.608 -11.878 1.00 0.00 O ATOM 124 CG2 THR A 11 -9.287 5.377 -12.763 1.00 0.00 C ATOM 0 H THR A 11 -9.944 6.941 -9.507 1.00 0.00 H new ATOM 0 HA THR A 11 -8.316 4.668 -10.426 1.00 0.00 H new ATOM 0 HB THR A 11 -7.447 6.307 -12.206 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.017 7.943 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.274 5.777 -13.777 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.853 4.377 -12.761 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.316 5.326 -12.407 1.00 0.00 H new ATOM 132 N GLU A 12 -6.112 6.182 -10.078 1.00 0.00 N ATOM 133 CA GLU A 12 -4.943 6.759 -9.424 1.00 0.00 C ATOM 134 C GLU A 12 -4.824 6.262 -7.986 1.00 0.00 C ATOM 135 O GLU A 12 -4.320 6.970 -7.114 1.00 0.00 O ATOM 136 CB GLU A 12 -5.023 8.287 -9.443 1.00 0.00 C ATOM 137 CG GLU A 12 -4.900 8.886 -10.834 1.00 0.00 C ATOM 138 CD GLU A 12 -3.542 8.634 -11.459 1.00 0.00 C ATOM 139 OE1 GLU A 12 -2.534 9.120 -10.904 1.00 0.00 O ATOM 140 OE2 GLU A 12 -3.486 7.951 -12.504 1.00 0.00 O ATOM 0 H GLU A 12 -5.899 5.604 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.057 6.442 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.972 8.598 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.232 8.692 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.675 8.467 -11.476 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.077 9.960 -10.780 1.00 0.00 H new ATOM 147 N ILE A 13 -5.292 5.041 -7.747 1.00 0.00 N ATOM 148 CA ILE A 13 -5.237 4.450 -6.416 1.00 0.00 C ATOM 149 C ILE A 13 -4.984 2.948 -6.492 1.00 0.00 C ATOM 150 O ILE A 13 -5.444 2.277 -7.416 1.00 0.00 O ATOM 151 CB ILE A 13 -6.541 4.701 -5.635 1.00 0.00 C ATOM 152 CG1 ILE A 13 -6.830 6.201 -5.551 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.449 4.095 -4.243 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.118 6.529 -4.828 1.00 0.00 C ATOM 0 H ILE A 13 -5.713 4.443 -8.458 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.411 4.929 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.363 4.221 -6.165 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.002 6.694 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.875 6.611 -6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.378 4.280 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.285 3.020 -4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.618 4.549 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.258 7.610 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.956 6.065 -5.348 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.069 6.149 -3.807 1.00 0.00 H new ATOM 166 N ILE A 14 -4.252 2.427 -5.513 1.00 0.00 N ATOM 167 CA ILE A 14 -3.941 1.004 -5.467 1.00 0.00 C ATOM 168 C ILE A 14 -3.969 0.481 -4.035 1.00 0.00 C ATOM 169 O ILE A 14 -3.326 1.039 -3.148 1.00 0.00 O ATOM 170 CB ILE A 14 -2.560 0.710 -6.082 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.264 1.690 -7.219 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.498 -0.725 -6.584 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.823 1.666 -7.678 1.00 0.00 C ATOM 0 H ILE A 14 -3.863 2.969 -4.741 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.707 0.494 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.801 0.838 -5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.910 1.458 -8.065 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.516 2.699 -6.893 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.516 -0.917 -7.016 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.669 -1.409 -5.753 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.265 -0.878 -7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.686 2.385 -8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.171 1.928 -6.845 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.572 0.667 -8.035 1.00 0.00 H new ATOM 185 N GLU A 15 -4.718 -0.596 -3.819 1.00 0.00 N ATOM 186 CA GLU A 15 -4.829 -1.196 -2.494 1.00 0.00 C ATOM 187 C GLU A 15 -4.160 -2.567 -2.460 1.00 0.00 C ATOM 188 O GLU A 15 -4.099 -3.265 -3.471 1.00 0.00 O ATOM 189 CB GLU A 15 -6.298 -1.322 -2.089 1.00 0.00 C ATOM 190 CG GLU A 15 -6.547 -2.374 -1.020 1.00 0.00 C ATOM 191 CD GLU A 15 -6.836 -3.742 -1.605 1.00 0.00 C ATOM 192 OE1 GLU A 15 -6.185 -4.109 -2.605 1.00 0.00 O ATOM 193 OE2 GLU A 15 -7.714 -4.446 -1.063 1.00 0.00 O ATOM 0 H GLU A 15 -5.257 -1.071 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.319 -0.545 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.650 -0.357 -1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.890 -1.566 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.675 -2.438 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.387 -2.064 -0.399 1.00 0.00 H new ATOM 200 N GLY A 16 -3.660 -2.946 -1.288 1.00 0.00 N ATOM 201 CA GLY A 16 -3.002 -4.232 -1.143 1.00 0.00 C ATOM 202 C GLY A 16 -2.754 -4.595 0.308 1.00 0.00 C ATOM 203 O GLY A 16 -2.744 -3.726 1.179 1.00 0.00 O ATOM 0 H GLY A 16 -3.699 -2.386 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.614 -5.005 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.052 -4.213 -1.677 1.00 0.00 H new ATOM 207 N GLU A 17 -2.555 -5.884 0.567 1.00 0.00 N ATOM 208 CA GLU A 17 -2.308 -6.360 1.923 1.00 0.00 C ATOM 209 C GLU A 17 -0.850 -6.145 2.319 1.00 0.00 C ATOM 210 O GLU A 17 0.043 -6.852 1.850 1.00 0.00 O ATOM 211 CB GLU A 17 -2.667 -7.843 2.040 1.00 0.00 C ATOM 212 CG GLU A 17 -2.525 -8.394 3.449 1.00 0.00 C ATOM 213 CD GLU A 17 -3.107 -9.787 3.591 1.00 0.00 C ATOM 214 OE1 GLU A 17 -3.118 -10.530 2.588 1.00 0.00 O ATOM 215 OE2 GLU A 17 -3.552 -10.134 4.706 1.00 0.00 O ATOM 0 H GLU A 17 -2.560 -6.616 -0.143 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.939 -5.786 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.694 -7.987 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.029 -8.417 1.368 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.470 -8.415 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.022 -7.723 4.149 1.00 0.00 H new ATOM 222 N VAL A 18 -0.616 -5.164 3.185 1.00 0.00 N ATOM 223 CA VAL A 18 0.733 -4.856 3.644 1.00 0.00 C ATOM 224 C VAL A 18 1.511 -6.128 3.959 1.00 0.00 C ATOM 225 O VAL A 18 1.070 -6.957 4.756 1.00 0.00 O ATOM 226 CB VAL A 18 0.708 -3.959 4.896 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.064 -3.304 5.111 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.388 -2.910 4.778 1.00 0.00 C ATOM 0 H VAL A 18 -1.343 -4.569 3.583 1.00 0.00 H new ATOM 0 HA VAL A 18 1.229 -4.323 2.833 1.00 0.00 H new ATOM 0 HB VAL A 18 0.491 -4.582 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.027 -2.674 6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.823 -4.075 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.315 -2.693 4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.391 -2.285 5.671 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.204 -2.289 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.355 -3.403 4.677 1.00 0.00 H new ATOM 238 N VAL A 19 2.671 -6.278 3.329 1.00 0.00 N ATOM 239 CA VAL A 19 3.513 -7.449 3.543 1.00 0.00 C ATOM 240 C VAL A 19 4.775 -7.085 4.316 1.00 0.00 C ATOM 241 O VAL A 19 5.129 -7.747 5.291 1.00 0.00 O ATOM 242 CB VAL A 19 3.913 -8.104 2.208 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.826 -9.296 2.450 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.675 -8.520 1.427 1.00 0.00 C ATOM 0 H VAL A 19 3.050 -5.602 2.665 1.00 0.00 H new ATOM 0 HA VAL A 19 2.926 -8.159 4.126 1.00 0.00 H new ATOM 0 HB VAL A 19 4.461 -7.372 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.098 -9.746 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.728 -8.965 2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.307 -10.033 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.976 -8.981 0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.098 -9.235 2.013 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.063 -7.642 1.221 1.00 0.00 H new ATOM 254 N GLU A 20 5.449 -6.028 3.874 1.00 0.00 N ATOM 255 CA GLU A 20 6.673 -5.577 4.526 1.00 0.00 C ATOM 256 C GLU A 20 6.833 -4.065 4.395 1.00 0.00 C ATOM 257 O GLU A 20 6.523 -3.485 3.354 1.00 0.00 O ATOM 258 CB GLU A 20 7.889 -6.283 3.922 1.00 0.00 C ATOM 259 CG GLU A 20 9.212 -5.838 4.523 1.00 0.00 C ATOM 260 CD GLU A 20 10.290 -6.898 4.411 1.00 0.00 C ATOM 261 OE1 GLU A 20 9.995 -8.076 4.704 1.00 0.00 O ATOM 262 OE2 GLU A 20 11.427 -6.551 4.032 1.00 0.00 O ATOM 0 H GLU A 20 5.169 -5.469 3.068 1.00 0.00 H new ATOM 0 HA GLU A 20 6.604 -5.828 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.780 -7.359 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.908 -6.100 2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.547 -4.930 4.022 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.063 -5.586 5.573 1.00 0.00 H new ATOM 269 N ILE A 21 7.318 -3.433 5.459 1.00 0.00 N ATOM 270 CA ILE A 21 7.520 -1.989 5.463 1.00 0.00 C ATOM 271 C ILE A 21 8.887 -1.627 6.031 1.00 0.00 C ATOM 272 O ILE A 21 9.190 -1.928 7.186 1.00 0.00 O ATOM 273 CB ILE A 21 6.430 -1.271 6.281 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.049 -1.543 5.680 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.706 0.224 6.334 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.907 -1.092 6.564 1.00 0.00 C ATOM 0 H ILE A 21 7.578 -3.898 6.329 1.00 0.00 H new ATOM 0 HA ILE A 21 7.461 -1.659 4.426 1.00 0.00 H new ATOM 0 HB ILE A 21 6.445 -1.659 7.299 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.974 -1.037 4.717 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.949 -2.611 5.488 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.927 0.717 6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.674 0.399 6.803 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.714 0.629 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.959 -1.316 6.076 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.956 -1.617 7.518 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.982 -0.018 6.736 1.00 0.00 H new ATOM 288 N GLN A 22 9.709 -0.977 5.213 1.00 0.00 N ATOM 289 CA GLN A 22 11.045 -0.572 5.635 1.00 0.00 C ATOM 290 C GLN A 22 11.232 0.933 5.480 1.00 0.00 C ATOM 291 O GLN A 22 10.681 1.546 4.564 1.00 0.00 O ATOM 292 CB GLN A 22 12.106 -1.316 4.823 1.00 0.00 C ATOM 293 CG GLN A 22 13.530 -0.911 5.168 1.00 0.00 C ATOM 294 CD GLN A 22 14.540 -1.993 4.842 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.289 -3.179 5.059 1.00 0.00 O ATOM 296 NE2 GLN A 22 15.692 -1.590 4.318 1.00 0.00 N ATOM 0 H GLN A 22 9.473 -0.720 4.255 1.00 0.00 H new ATOM 0 HA GLN A 22 11.159 -0.827 6.689 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.992 -2.388 4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.933 -1.136 3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.788 -0.003 4.623 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.589 -0.673 6.230 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.858 -0.597 4.155 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.410 -2.274 4.079 1.00 0.00 H new ATOM 305 N ILE A 23 12.010 1.523 6.381 1.00 0.00 N ATOM 306 CA ILE A 23 12.270 2.957 6.343 1.00 0.00 C ATOM 307 C ILE A 23 13.727 3.261 6.676 1.00 0.00 C ATOM 308 O ILE A 23 14.302 2.670 7.589 1.00 0.00 O ATOM 309 CB ILE A 23 11.361 3.720 7.325 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.937 3.807 6.773 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.918 5.111 7.591 1.00 0.00 C ATOM 312 CD1 ILE A 23 9.129 2.545 6.983 1.00 0.00 C ATOM 0 H ILE A 23 12.471 1.031 7.146 1.00 0.00 H new ATOM 0 HA ILE A 23 12.055 3.290 5.328 1.00 0.00 H new ATOM 0 HB ILE A 23 11.332 3.175 8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.422 4.642 7.249 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.982 4.026 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 11.265 5.638 8.287 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.915 5.027 8.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.973 5.666 6.654 1.00 0.00 H new ATOM 0 HD11 ILE A 23 8.130 2.679 6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.621 1.710 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.052 2.335 8.050 1.00 0.00 H new ATOM 324 N ASP A 24 14.317 4.188 5.929 1.00 0.00 N ATOM 325 CA ASP A 24 15.707 4.573 6.146 1.00 0.00 C ATOM 326 C ASP A 24 15.797 5.993 6.698 1.00 0.00 C ATOM 327 O ASP A 24 15.585 6.965 5.974 1.00 0.00 O ATOM 328 CB ASP A 24 16.497 4.469 4.841 1.00 0.00 C ATOM 329 CG ASP A 24 17.100 3.093 4.637 1.00 0.00 C ATOM 330 OD1 ASP A 24 17.940 2.685 5.466 1.00 0.00 O ATOM 331 OD2 ASP A 24 16.733 2.424 3.648 1.00 0.00 O ATOM 0 H ASP A 24 13.855 4.686 5.168 1.00 0.00 H new ATOM 0 HA ASP A 24 16.138 3.890 6.878 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.841 4.703 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.292 5.215 4.841 1.00 0.00 H new ATOM 336 N ARG A 25 16.112 6.103 7.984 1.00 0.00 N ATOM 337 CA ARG A 25 16.228 7.403 8.634 1.00 0.00 C ATOM 338 C ARG A 25 17.098 8.347 7.810 1.00 0.00 C ATOM 339 O ARG A 25 17.986 7.924 7.068 1.00 0.00 O ATOM 340 CB ARG A 25 16.816 7.245 10.038 1.00 0.00 C ATOM 341 CG ARG A 25 15.776 6.929 11.101 1.00 0.00 C ATOM 342 CD ARG A 25 15.581 5.429 11.261 1.00 0.00 C ATOM 343 NE ARG A 25 14.246 5.101 11.754 1.00 0.00 N ATOM 344 CZ ARG A 25 13.846 3.863 12.021 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.673 2.842 11.843 1.00 0.00 N ATOM 346 NH2 ARG A 25 12.615 3.644 12.467 1.00 0.00 N ATOM 0 H ARG A 25 16.292 5.308 8.597 1.00 0.00 H new ATOM 0 HA ARG A 25 15.229 7.832 8.712 1.00 0.00 H new ATOM 0 HB2 ARG A 25 17.562 6.450 10.023 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.335 8.164 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.085 7.361 12.053 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.827 7.394 10.833 1.00 0.00 H new ATOM 0 HD2 ARG A 25 15.744 4.938 10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 25 16.329 5.038 11.951 1.00 0.00 H new ATOM 0 HE ARG A 25 13.585 5.864 11.901 1.00 0.00 H new ATOM 0 HH11 ARG A 25 15.620 3.006 11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.363 1.892 12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.976 4.427 12.605 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.308 2.693 12.672 1.00 0.00 H new ATOM 360 N PRO A 26 16.840 9.656 7.940 1.00 0.00 N ATOM 361 CA PRO A 26 17.589 10.687 7.216 1.00 0.00 C ATOM 362 C PRO A 26 19.023 10.821 7.715 1.00 0.00 C ATOM 363 O PRO A 26 19.472 10.045 8.558 1.00 0.00 O ATOM 364 CB PRO A 26 16.801 11.967 7.505 1.00 0.00 C ATOM 365 CG PRO A 26 16.109 11.703 8.797 1.00 0.00 C ATOM 366 CD PRO A 26 15.797 10.232 8.806 1.00 0.00 C ATOM 0 HA PRO A 26 17.678 10.455 6.155 1.00 0.00 H new ATOM 0 HB2 PRO A 26 17.462 12.830 7.579 1.00 0.00 H new ATOM 0 HB3 PRO A 26 16.087 12.180 6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 26 16.743 11.973 9.642 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.198 12.296 8.880 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.838 9.819 9.814 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.798 10.031 8.420 1.00 0.00 H new ATOM 374 N ALA A 27 19.738 11.810 7.189 1.00 0.00 N ATOM 375 CA ALA A 27 21.121 12.046 7.584 1.00 0.00 C ATOM 376 C ALA A 27 22.009 10.864 7.210 1.00 0.00 C ATOM 377 O ALA A 27 22.880 10.459 7.981 1.00 0.00 O ATOM 378 CB ALA A 27 21.204 12.319 9.079 1.00 0.00 C ATOM 0 H ALA A 27 19.382 12.460 6.488 1.00 0.00 H new ATOM 0 HA ALA A 27 21.482 12.922 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.243 12.493 9.360 1.00 0.00 H new ATOM 0 HB2 ALA A 27 20.610 13.200 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 27 20.819 11.459 9.628 1.00 0.00 H new ATOM 384 N THR A 28 21.781 10.311 6.022 1.00 0.00 N ATOM 385 CA THR A 28 22.558 9.173 5.547 1.00 0.00 C ATOM 386 C THR A 28 23.309 9.517 4.266 1.00 0.00 C ATOM 387 O THR A 28 24.300 8.874 3.924 1.00 0.00 O ATOM 388 CB THR A 28 21.661 7.948 5.291 1.00 0.00 C ATOM 389 OG1 THR A 28 22.436 6.882 4.730 1.00 0.00 O ATOM 390 CG2 THR A 28 20.520 8.301 4.349 1.00 0.00 C ATOM 0 H THR A 28 21.064 10.633 5.372 1.00 0.00 H new ATOM 0 HA THR A 28 23.275 8.930 6.331 1.00 0.00 H new ATOM 0 HB THR A 28 21.240 7.628 6.244 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.859 6.106 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.900 7.420 4.183 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.915 9.093 4.791 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.927 8.643 3.397 1.00 0.00 H new ATOM 398 N GLY A 29 22.829 10.537 3.560 1.00 0.00 N ATOM 399 CA GLY A 29 23.468 10.948 2.323 1.00 0.00 C ATOM 400 C GLY A 29 22.791 12.150 1.693 1.00 0.00 C ATOM 401 O GLY A 29 22.603 12.200 0.477 1.00 0.00 O ATOM 0 H GLY A 29 22.010 11.085 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 29 24.514 11.185 2.519 1.00 0.00 H new ATOM 0 HA3 GLY A 29 23.456 10.117 1.618 1.00 0.00 H new ATOM 405 N THR A 30 22.422 13.121 2.522 1.00 0.00 N ATOM 406 CA THR A 30 21.760 14.327 2.040 1.00 0.00 C ATOM 407 C THR A 30 20.491 13.985 1.267 1.00 0.00 C ATOM 408 O THR A 30 20.231 14.545 0.203 1.00 0.00 O ATOM 409 CB THR A 30 22.691 15.155 1.135 1.00 0.00 C ATOM 410 OG1 THR A 30 24.038 15.072 1.612 1.00 0.00 O ATOM 411 CG2 THR A 30 22.251 16.611 1.095 1.00 0.00 C ATOM 0 H THR A 30 22.570 13.096 3.531 1.00 0.00 H new ATOM 0 HA THR A 30 21.500 14.918 2.918 1.00 0.00 H new ATOM 0 HB THR A 30 22.638 14.747 0.125 1.00 0.00 H new ATOM 0 HG1 THR A 30 24.624 15.600 1.030 1.00 0.00 H new ATOM 0 HG21 THR A 30 22.923 17.177 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 30 21.235 16.674 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 30 22.279 17.027 2.102 1.00 0.00 H new ATOM 419 N GLY A 31 19.702 13.062 1.810 1.00 0.00 N ATOM 420 CA GLY A 31 18.469 12.663 1.158 1.00 0.00 C ATOM 421 C GLY A 31 17.321 12.505 2.135 1.00 0.00 C ATOM 422 O GLY A 31 17.481 11.909 3.200 1.00 0.00 O ATOM 0 H GLY A 31 19.895 12.584 2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 31 18.202 13.406 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 31 18.628 11.721 0.633 1.00 0.00 H new ATOM 426 N SER A 32 16.160 13.041 1.773 1.00 0.00 N ATOM 427 CA SER A 32 14.982 12.961 2.629 1.00 0.00 C ATOM 428 C SER A 32 14.710 11.519 3.045 1.00 0.00 C ATOM 429 O SER A 32 15.427 10.600 2.650 1.00 0.00 O ATOM 430 CB SER A 32 13.761 13.534 1.906 1.00 0.00 C ATOM 431 OG SER A 32 13.811 14.949 1.864 1.00 0.00 O ATOM 0 H SER A 32 16.010 13.535 0.893 1.00 0.00 H new ATOM 0 HA SER A 32 15.174 13.550 3.526 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.716 13.138 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.851 13.214 2.413 1.00 0.00 H new ATOM 0 HG SER A 32 13.021 15.290 1.396 1.00 0.00 H new ATOM 437 N LYS A 33 13.667 11.328 3.847 1.00 0.00 N ATOM 438 CA LYS A 33 13.297 9.999 4.319 1.00 0.00 C ATOM 439 C LYS A 33 12.848 9.116 3.159 1.00 0.00 C ATOM 440 O LYS A 33 12.113 9.560 2.276 1.00 0.00 O ATOM 441 CB LYS A 33 12.181 10.097 5.361 1.00 0.00 C ATOM 442 CG LYS A 33 12.164 8.941 6.345 1.00 0.00 C ATOM 443 CD LYS A 33 11.186 9.189 7.481 1.00 0.00 C ATOM 444 CE LYS A 33 11.772 10.125 8.527 1.00 0.00 C ATOM 445 NZ LYS A 33 10.897 10.234 9.727 1.00 0.00 N ATOM 0 H LYS A 33 13.063 12.078 4.184 1.00 0.00 H new ATOM 0 HA LYS A 33 14.175 9.546 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.291 11.031 5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.220 10.141 4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.893 8.023 5.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.165 8.793 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.266 9.617 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.921 8.240 7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.756 9.764 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.914 11.114 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.332 10.881 10.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.966 10.602 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.781 9.295 10.159 1.00 0.00 H new ATOM 459 N VAL A 34 13.293 7.863 3.168 1.00 0.00 N ATOM 460 CA VAL A 34 12.934 6.917 2.118 1.00 0.00 C ATOM 461 C VAL A 34 12.591 5.552 2.702 1.00 0.00 C ATOM 462 O VAL A 34 13.334 5.011 3.521 1.00 0.00 O ATOM 463 CB VAL A 34 14.075 6.754 1.095 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.511 8.110 0.561 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.248 6.015 1.720 1.00 0.00 C ATOM 0 H VAL A 34 13.902 7.480 3.891 1.00 0.00 H new ATOM 0 HA VAL A 34 12.058 7.323 1.612 1.00 0.00 H new ATOM 0 HB VAL A 34 13.707 6.162 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.317 7.975 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.667 8.598 0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.862 8.730 1.386 1.00 0.00 H new ATOM 0 HG21 VAL A 34 16.045 5.909 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.618 6.578 2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.923 5.028 2.048 1.00 0.00 H new ATOM 475 N GLY A 35 11.460 4.998 2.275 1.00 0.00 N ATOM 476 CA GLY A 35 11.039 3.699 2.766 1.00 0.00 C ATOM 477 C GLY A 35 10.501 2.809 1.663 1.00 0.00 C ATOM 478 O GLY A 35 10.043 3.296 0.630 1.00 0.00 O ATOM 0 H GLY A 35 10.828 5.426 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.883 3.205 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.271 3.833 3.528 1.00 0.00 H new ATOM 482 N LYS A 36 10.558 1.499 1.882 1.00 0.00 N ATOM 483 CA LYS A 36 10.074 0.538 0.899 1.00 0.00 C ATOM 484 C LYS A 36 8.869 -0.229 1.435 1.00 0.00 C ATOM 485 O LYS A 36 8.932 -0.833 2.507 1.00 0.00 O ATOM 486 CB LYS A 36 11.188 -0.442 0.521 1.00 0.00 C ATOM 487 CG LYS A 36 12.039 0.027 -0.646 1.00 0.00 C ATOM 488 CD LYS A 36 11.233 0.097 -1.932 1.00 0.00 C ATOM 489 CE LYS A 36 12.105 -0.155 -3.152 1.00 0.00 C ATOM 490 NZ LYS A 36 12.808 1.080 -3.597 1.00 0.00 N ATOM 0 H LYS A 36 10.935 1.079 2.732 1.00 0.00 H new ATOM 0 HA LYS A 36 9.766 1.089 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.830 -0.601 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.744 -1.406 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.455 1.009 -0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.881 -0.652 -0.780 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.430 -0.639 -1.899 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.764 1.077 -2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.839 -0.927 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.489 -0.535 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.392 0.866 -4.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.108 1.809 -3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.416 1.429 -2.829 1.00 0.00 H new ATOM 504 N LEU A 37 7.774 -0.202 0.684 1.00 0.00 N ATOM 505 CA LEU A 37 6.554 -0.895 1.083 1.00 0.00 C ATOM 506 C LEU A 37 6.183 -1.971 0.068 1.00 0.00 C ATOM 507 O LEU A 37 6.206 -1.736 -1.140 1.00 0.00 O ATOM 508 CB LEU A 37 5.403 0.100 1.233 1.00 0.00 C ATOM 509 CG LEU A 37 3.997 -0.499 1.264 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.588 -0.828 2.691 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.996 0.454 0.627 1.00 0.00 C ATOM 0 H LEU A 37 7.706 0.293 -0.205 1.00 0.00 H new ATOM 0 HA LEU A 37 6.737 -1.375 2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.556 0.665 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.455 0.812 0.409 1.00 0.00 H new ATOM 0 HG LEU A 37 4.005 -1.424 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.584 -1.253 2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.288 -1.549 3.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.598 0.082 3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.001 0.011 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.991 1.396 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.278 0.639 -0.409 1.00 0.00 H new ATOM 523 N THR A 38 5.838 -3.154 0.567 1.00 0.00 N ATOM 524 CA THR A 38 5.460 -4.267 -0.296 1.00 0.00 C ATOM 525 C THR A 38 4.044 -4.743 0.010 1.00 0.00 C ATOM 526 O THR A 38 3.728 -5.091 1.148 1.00 0.00 O ATOM 527 CB THR A 38 6.432 -5.451 -0.144 1.00 0.00 C ATOM 528 OG1 THR A 38 7.765 -5.035 -0.460 1.00 0.00 O ATOM 529 CG2 THR A 38 6.027 -6.604 -1.050 1.00 0.00 C ATOM 0 H THR A 38 5.813 -3.366 1.564 1.00 0.00 H new ATOM 0 HA THR A 38 5.504 -3.901 -1.322 1.00 0.00 H new ATOM 0 HB THR A 38 6.394 -5.792 0.891 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.377 -5.794 -0.359 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.729 -7.429 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.023 -6.938 -0.787 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.038 -6.272 -2.088 1.00 0.00 H new ATOM 537 N LEU A 39 3.196 -4.758 -1.013 1.00 0.00 N ATOM 538 CA LEU A 39 1.813 -5.193 -0.853 1.00 0.00 C ATOM 539 C LEU A 39 1.538 -6.447 -1.678 1.00 0.00 C ATOM 540 O LEU A 39 2.000 -6.570 -2.813 1.00 0.00 O ATOM 541 CB LEU A 39 0.855 -4.076 -1.268 1.00 0.00 C ATOM 542 CG LEU A 39 0.405 -3.129 -0.155 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.606 -2.603 0.616 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.409 -1.978 -0.729 1.00 0.00 C ATOM 0 H LEU A 39 3.442 -4.474 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 39 1.652 -5.429 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.334 -3.485 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.031 -4.531 -1.711 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.229 -3.686 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.267 -1.931 1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.148 -3.438 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.266 -2.063 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.720 -1.315 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.200 -1.422 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.290 -2.372 -1.235 1.00 0.00 H new ATOM 556 N LYS A 40 0.782 -7.374 -1.101 1.00 0.00 N ATOM 557 CA LYS A 40 0.441 -8.617 -1.783 1.00 0.00 C ATOM 558 C LYS A 40 -0.859 -8.469 -2.566 1.00 0.00 C ATOM 559 O LYS A 40 -1.945 -8.430 -1.986 1.00 0.00 O ATOM 560 CB LYS A 40 0.313 -9.759 -0.772 1.00 0.00 C ATOM 561 CG LYS A 40 0.248 -11.134 -1.413 1.00 0.00 C ATOM 562 CD LYS A 40 0.254 -12.237 -0.368 1.00 0.00 C ATOM 563 CE LYS A 40 0.904 -13.505 -0.899 1.00 0.00 C ATOM 564 NZ LYS A 40 0.655 -14.672 -0.009 1.00 0.00 N ATOM 0 H LYS A 40 0.393 -7.288 -0.162 1.00 0.00 H new ATOM 0 HA LYS A 40 1.242 -8.849 -2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.162 -9.725 -0.089 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.584 -9.604 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.654 -11.211 -2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.096 -11.264 -2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.789 -11.897 0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.769 -12.453 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.519 -13.720 -1.896 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.978 -13.348 -0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.115 -15.516 -0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.045 -14.478 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.369 -14.839 0.067 1.00 0.00 H new ATOM 578 N THR A 41 -0.743 -8.389 -3.888 1.00 0.00 N ATOM 579 CA THR A 41 -1.909 -8.246 -4.751 1.00 0.00 C ATOM 580 C THR A 41 -2.298 -9.581 -5.375 1.00 0.00 C ATOM 581 O THR A 41 -1.557 -10.561 -5.285 1.00 0.00 O ATOM 582 CB THR A 41 -1.655 -7.222 -5.873 1.00 0.00 C ATOM 583 OG1 THR A 41 -0.418 -7.515 -6.533 1.00 0.00 O ATOM 584 CG2 THR A 41 -1.616 -5.807 -5.317 1.00 0.00 C ATOM 0 H THR A 41 0.147 -8.421 -4.385 1.00 0.00 H new ATOM 0 HA THR A 41 -2.726 -7.890 -4.123 1.00 0.00 H new ATOM 0 HB THR A 41 -2.474 -7.291 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.241 -6.823 -6.315 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.435 -5.102 -6.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.569 -5.576 -4.842 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.815 -5.727 -4.582 1.00 0.00 H new ATOM 592 N THR A 42 -3.467 -9.615 -6.008 1.00 0.00 N ATOM 593 CA THR A 42 -3.955 -10.831 -6.647 1.00 0.00 C ATOM 594 C THR A 42 -2.805 -11.645 -7.231 1.00 0.00 C ATOM 595 O THR A 42 -2.165 -11.228 -8.196 1.00 0.00 O ATOM 596 CB THR A 42 -4.963 -10.511 -7.767 1.00 0.00 C ATOM 597 OG1 THR A 42 -6.167 -9.977 -7.204 1.00 0.00 O ATOM 598 CG2 THR A 42 -5.285 -11.758 -8.577 1.00 0.00 C ATOM 0 H THR A 42 -4.093 -8.814 -6.092 1.00 0.00 H new ATOM 0 HA THR A 42 -4.455 -11.416 -5.874 1.00 0.00 H new ATOM 0 HB THR A 42 -4.514 -9.772 -8.431 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.802 -9.774 -7.922 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.999 -11.508 -9.362 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.371 -12.145 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.716 -12.516 -7.923 1.00 0.00 H new ATOM 606 N GLU A 43 -2.550 -12.808 -6.640 1.00 0.00 N ATOM 607 CA GLU A 43 -1.476 -13.680 -7.103 1.00 0.00 C ATOM 608 C GLU A 43 -0.309 -12.862 -7.649 1.00 0.00 C ATOM 609 O GLU A 43 0.224 -13.160 -8.717 1.00 0.00 O ATOM 610 CB GLU A 43 -1.994 -14.634 -8.181 1.00 0.00 C ATOM 611 CG GLU A 43 -2.613 -15.905 -7.623 1.00 0.00 C ATOM 612 CD GLU A 43 -2.887 -16.940 -8.696 1.00 0.00 C ATOM 613 OE1 GLU A 43 -1.971 -17.731 -9.004 1.00 0.00 O ATOM 614 OE2 GLU A 43 -4.017 -16.960 -9.227 1.00 0.00 O ATOM 0 H GLU A 43 -3.071 -13.168 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.122 -14.262 -6.252 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.736 -14.115 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.171 -14.901 -8.844 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.945 -16.331 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.545 -15.658 -7.115 1.00 0.00 H new ATOM 621 N MET A 44 0.081 -11.830 -6.908 1.00 0.00 N ATOM 622 CA MET A 44 1.185 -10.970 -7.318 1.00 0.00 C ATOM 623 C MET A 44 1.632 -10.074 -6.167 1.00 0.00 C ATOM 624 O MET A 44 0.848 -9.764 -5.270 1.00 0.00 O ATOM 625 CB MET A 44 0.774 -10.113 -8.517 1.00 0.00 C ATOM 626 CG MET A 44 1.524 -8.794 -8.606 1.00 0.00 C ATOM 627 SD MET A 44 1.000 -7.791 -10.010 1.00 0.00 S ATOM 628 CE MET A 44 -0.548 -7.130 -9.396 1.00 0.00 C ATOM 0 H MET A 44 -0.351 -11.569 -6.021 1.00 0.00 H new ATOM 0 HA MET A 44 2.022 -11.607 -7.606 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.942 -10.680 -9.433 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.295 -9.910 -8.459 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.372 -8.231 -7.685 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.593 -8.993 -8.685 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.143 -6.762 -10.232 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.098 -7.915 -8.877 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.346 -6.311 -8.706 1.00 0.00 H new ATOM 638 N GLU A 45 2.895 -9.662 -6.200 1.00 0.00 N ATOM 639 CA GLU A 45 3.445 -8.802 -5.159 1.00 0.00 C ATOM 640 C GLU A 45 4.084 -7.555 -5.763 1.00 0.00 C ATOM 641 O GLU A 45 5.040 -7.645 -6.534 1.00 0.00 O ATOM 642 CB GLU A 45 4.478 -9.567 -4.328 1.00 0.00 C ATOM 643 CG GLU A 45 4.736 -8.952 -2.962 1.00 0.00 C ATOM 644 CD GLU A 45 6.151 -9.192 -2.473 1.00 0.00 C ATOM 645 OE1 GLU A 45 7.071 -8.502 -2.960 1.00 0.00 O ATOM 646 OE2 GLU A 45 6.339 -10.068 -1.604 1.00 0.00 O ATOM 0 H GLU A 45 3.556 -9.910 -6.936 1.00 0.00 H new ATOM 0 HA GLU A 45 2.626 -8.491 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.138 -10.594 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.416 -9.611 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.549 -7.879 -3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.031 -9.367 -2.242 1.00 0.00 H new ATOM 653 N THR A 46 3.549 -6.391 -5.408 1.00 0.00 N ATOM 654 CA THR A 46 4.065 -5.126 -5.915 1.00 0.00 C ATOM 655 C THR A 46 4.838 -4.375 -4.837 1.00 0.00 C ATOM 656 O THR A 46 4.532 -4.486 -3.650 1.00 0.00 O ATOM 657 CB THR A 46 2.930 -4.226 -6.439 1.00 0.00 C ATOM 658 OG1 THR A 46 2.107 -4.958 -7.354 1.00 0.00 O ATOM 659 CG2 THR A 46 3.492 -2.993 -7.129 1.00 0.00 C ATOM 0 H THR A 46 2.758 -6.298 -4.771 1.00 0.00 H new ATOM 0 HA THR A 46 4.737 -5.367 -6.738 1.00 0.00 H new ATOM 0 HB THR A 46 2.329 -3.904 -5.588 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.387 -4.379 -7.681 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.672 -2.373 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.094 -2.423 -6.421 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.114 -3.299 -7.970 1.00 0.00 H new ATOM 667 N ILE A 47 5.840 -3.611 -5.258 1.00 0.00 N ATOM 668 CA ILE A 47 6.655 -2.840 -4.327 1.00 0.00 C ATOM 669 C ILE A 47 6.493 -1.342 -4.565 1.00 0.00 C ATOM 670 O ILE A 47 6.889 -0.822 -5.608 1.00 0.00 O ATOM 671 CB ILE A 47 8.146 -3.209 -4.445 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.344 -4.705 -4.195 1.00 0.00 C ATOM 673 CG2 ILE A 47 8.973 -2.388 -3.467 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.213 -5.549 -5.444 1.00 0.00 C ATOM 0 H ILE A 47 6.107 -3.509 -6.237 1.00 0.00 H new ATOM 0 HA ILE A 47 6.307 -3.086 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 47 8.484 -2.981 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.331 -4.865 -3.760 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.613 -5.042 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.024 -2.660 -3.562 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.851 -1.328 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.637 -2.588 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.365 -6.598 -5.192 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.218 -5.419 -5.868 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.962 -5.239 -6.173 1.00 0.00 H new ATOM 686 N TYR A 48 5.910 -0.654 -3.590 1.00 0.00 N ATOM 687 CA TYR A 48 5.696 0.785 -3.693 1.00 0.00 C ATOM 688 C TYR A 48 6.848 1.555 -3.055 1.00 0.00 C ATOM 689 O TYR A 48 7.492 1.072 -2.123 1.00 0.00 O ATOM 690 CB TYR A 48 4.376 1.173 -3.024 1.00 0.00 C ATOM 691 CG TYR A 48 3.168 0.492 -3.627 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.935 -0.862 -3.421 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.259 1.203 -4.401 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.833 -1.489 -3.970 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.154 0.585 -4.953 1.00 0.00 C ATOM 696 CZ TYR A 48 0.946 -0.761 -4.735 1.00 0.00 C ATOM 697 OH TYR A 48 -0.154 -1.381 -5.283 1.00 0.00 O ATOM 0 H TYR A 48 5.577 -1.069 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 48 5.651 1.046 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.430 0.927 -1.964 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.247 2.253 -3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.627 -1.434 -2.821 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.419 2.257 -4.574 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.667 -2.543 -3.801 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.457 1.152 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.433 -2.122 -4.706 1.00 0.00 H new ATOM 707 N ASP A 49 7.101 2.755 -3.563 1.00 0.00 N ATOM 708 CA ASP A 49 8.175 3.595 -3.044 1.00 0.00 C ATOM 709 C ASP A 49 7.622 4.670 -2.113 1.00 0.00 C ATOM 710 O ASP A 49 6.796 5.490 -2.517 1.00 0.00 O ATOM 711 CB ASP A 49 8.945 4.245 -4.194 1.00 0.00 C ATOM 712 CG ASP A 49 8.253 5.484 -4.727 1.00 0.00 C ATOM 713 OD1 ASP A 49 7.181 5.343 -5.352 1.00 0.00 O ATOM 714 OD2 ASP A 49 8.782 6.595 -4.518 1.00 0.00 O ATOM 0 H ASP A 49 6.577 3.169 -4.334 1.00 0.00 H new ATOM 0 HA ASP A 49 8.855 2.962 -2.475 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.946 4.510 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.064 3.523 -5.002 1.00 0.00 H new ATOM 719 N LEU A 50 8.081 4.659 -0.867 1.00 0.00 N ATOM 720 CA LEU A 50 7.631 5.633 0.122 1.00 0.00 C ATOM 721 C LEU A 50 8.671 6.732 0.315 1.00 0.00 C ATOM 722 O LEU A 50 9.870 6.464 0.370 1.00 0.00 O ATOM 723 CB LEU A 50 7.350 4.941 1.457 1.00 0.00 C ATOM 724 CG LEU A 50 6.885 3.487 1.374 1.00 0.00 C ATOM 725 CD1 LEU A 50 7.169 2.760 2.680 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.403 3.420 1.036 1.00 0.00 C ATOM 0 H LEU A 50 8.764 3.987 -0.517 1.00 0.00 H new ATOM 0 HA LEU A 50 6.711 6.088 -0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.257 4.978 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.590 5.515 1.988 1.00 0.00 H new ATOM 0 HG LEU A 50 7.442 2.992 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.831 1.727 2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.240 2.777 2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.639 3.254 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.089 2.378 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.830 3.931 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.227 3.903 0.075 1.00 0.00 H new ATOM 738 N GLY A 51 8.202 7.972 0.421 1.00 0.00 N ATOM 739 CA GLY A 51 9.104 9.093 0.609 1.00 0.00 C ATOM 740 C GLY A 51 9.120 9.590 2.041 1.00 0.00 C ATOM 741 O GLY A 51 9.731 8.972 2.914 1.00 0.00 O ATOM 0 H GLY A 51 7.213 8.220 0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.112 8.797 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.809 9.908 -0.052 1.00 0.00 H new ATOM 745 N THR A 52 8.449 10.711 2.285 1.00 0.00 N ATOM 746 CA THR A 52 8.391 11.292 3.620 1.00 0.00 C ATOM 747 C THR A 52 6.956 11.362 4.128 1.00 0.00 C ATOM 748 O THR A 52 6.609 10.736 5.130 1.00 0.00 O ATOM 749 CB THR A 52 9.002 12.706 3.645 1.00 0.00 C ATOM 750 OG1 THR A 52 10.107 12.778 2.737 1.00 0.00 O ATOM 751 CG2 THR A 52 9.465 13.072 5.047 1.00 0.00 C ATOM 0 H THR A 52 7.938 11.235 1.575 1.00 0.00 H new ATOM 0 HA THR A 52 8.973 10.641 4.273 1.00 0.00 H new ATOM 0 HB THR A 52 8.233 13.415 3.338 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.489 13.680 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.893 14.075 5.039 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.615 13.045 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.219 12.359 5.379 1.00 0.00 H new ATOM 759 N LYS A 53 6.123 12.126 3.430 1.00 0.00 N ATOM 760 CA LYS A 53 4.723 12.277 3.808 1.00 0.00 C ATOM 761 C LYS A 53 4.072 10.917 4.039 1.00 0.00 C ATOM 762 O LYS A 53 3.346 10.723 5.013 1.00 0.00 O ATOM 763 CB LYS A 53 3.959 13.042 2.725 1.00 0.00 C ATOM 764 CG LYS A 53 4.243 12.547 1.317 1.00 0.00 C ATOM 765 CD LYS A 53 4.185 13.680 0.305 1.00 0.00 C ATOM 766 CE LYS A 53 4.716 13.243 -1.051 1.00 0.00 C ATOM 767 NZ LYS A 53 5.163 14.403 -1.871 1.00 0.00 N ATOM 0 H LYS A 53 6.394 12.651 2.598 1.00 0.00 H new ATOM 0 HA LYS A 53 4.684 12.842 4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.890 12.962 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.216 14.099 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.228 12.080 1.286 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.518 11.779 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.156 14.024 0.200 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.768 14.526 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.550 12.555 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.939 12.697 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.518 14.064 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.362 15.047 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.922 14.909 -1.372 1.00 0.00 H new ATOM 781 N MET A 54 4.339 9.978 3.137 1.00 0.00 N ATOM 782 CA MET A 54 3.781 8.635 3.245 1.00 0.00 C ATOM 783 C MET A 54 4.078 8.031 4.613 1.00 0.00 C ATOM 784 O MET A 54 3.178 7.536 5.292 1.00 0.00 O ATOM 785 CB MET A 54 4.345 7.735 2.143 1.00 0.00 C ATOM 786 CG MET A 54 3.653 7.910 0.801 1.00 0.00 C ATOM 787 SD MET A 54 3.983 6.548 -0.333 1.00 0.00 S ATOM 788 CE MET A 54 2.718 6.824 -1.571 1.00 0.00 C ATOM 0 H MET A 54 4.938 10.122 2.324 1.00 0.00 H new ATOM 0 HA MET A 54 2.700 8.707 3.127 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.408 7.943 2.024 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.257 6.694 2.455 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.578 7.994 0.959 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.982 8.844 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.792 6.059 -2.344 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.735 6.773 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.856 7.808 -2.020 1.00 0.00 H new ATOM 798 N ILE A 55 5.345 8.074 5.011 1.00 0.00 N ATOM 799 CA ILE A 55 5.760 7.532 6.299 1.00 0.00 C ATOM 800 C ILE A 55 5.014 8.206 7.446 1.00 0.00 C ATOM 801 O ILE A 55 4.558 7.544 8.377 1.00 0.00 O ATOM 802 CB ILE A 55 7.275 7.698 6.519 1.00 0.00 C ATOM 803 CG1 ILE A 55 8.054 6.796 5.560 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.638 7.385 7.963 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.541 7.069 5.546 1.00 0.00 C ATOM 0 H ILE A 55 6.102 8.479 4.460 1.00 0.00 H new ATOM 0 HA ILE A 55 5.518 6.469 6.286 1.00 0.00 H new ATOM 0 HB ILE A 55 7.546 8.734 6.313 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.887 5.755 5.837 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.660 6.925 4.552 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.712 7.507 8.103 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.106 8.066 8.628 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.356 6.358 8.195 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.029 6.393 4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.719 8.100 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.949 6.912 6.544 1.00 0.00 H new ATOM 817 N GLU A 56 4.892 9.528 7.369 1.00 0.00 N ATOM 818 CA GLU A 56 4.200 10.292 8.400 1.00 0.00 C ATOM 819 C GLU A 56 2.825 9.697 8.687 1.00 0.00 C ATOM 820 O GLU A 56 2.292 9.839 9.788 1.00 0.00 O ATOM 821 CB GLU A 56 4.057 11.754 7.973 1.00 0.00 C ATOM 822 CG GLU A 56 5.350 12.546 8.071 1.00 0.00 C ATOM 823 CD GLU A 56 5.162 14.013 7.736 1.00 0.00 C ATOM 824 OE1 GLU A 56 4.066 14.547 8.006 1.00 0.00 O ATOM 825 OE2 GLU A 56 6.110 14.626 7.202 1.00 0.00 O ATOM 0 H GLU A 56 5.263 10.091 6.604 1.00 0.00 H new ATOM 0 HA GLU A 56 4.795 10.244 9.312 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.696 11.790 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.300 12.233 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.751 12.456 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.088 12.114 7.395 1.00 0.00 H new ATOM 832 N SER A 57 2.255 9.030 7.688 1.00 0.00 N ATOM 833 CA SER A 57 0.939 8.417 7.831 1.00 0.00 C ATOM 834 C SER A 57 1.054 7.015 8.422 1.00 0.00 C ATOM 835 O SER A 57 0.303 6.646 9.325 1.00 0.00 O ATOM 836 CB SER A 57 0.233 8.355 6.475 1.00 0.00 C ATOM 837 OG SER A 57 -1.118 7.953 6.622 1.00 0.00 O ATOM 0 H SER A 57 2.683 8.900 6.771 1.00 0.00 H new ATOM 0 HA SER A 57 0.350 9.032 8.512 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.275 9.333 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.755 7.656 5.821 1.00 0.00 H new ATOM 0 HG SER A 57 -1.416 7.503 5.804 1.00 0.00 H new ATOM 843 N LEU A 58 2.000 6.239 7.906 1.00 0.00 N ATOM 844 CA LEU A 58 2.215 4.876 8.382 1.00 0.00 C ATOM 845 C LEU A 58 2.518 4.863 9.876 1.00 0.00 C ATOM 846 O LEU A 58 2.323 3.852 10.552 1.00 0.00 O ATOM 847 CB LEU A 58 3.363 4.222 7.611 1.00 0.00 C ATOM 848 CG LEU A 58 3.191 4.136 6.094 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.938 2.933 5.539 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.715 4.064 5.729 1.00 0.00 C ATOM 0 H LEU A 58 2.630 6.529 7.159 1.00 0.00 H new ATOM 0 HA LEU A 58 1.300 4.308 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.278 4.776 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.505 3.213 7.998 1.00 0.00 H new ATOM 0 HG LEU A 58 3.613 5.037 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.804 2.888 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.999 3.026 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.547 2.022 5.991 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.611 4.003 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.270 3.181 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.206 4.957 6.093 1.00 0.00 H new ATOM 862 N THR A 59 2.995 5.993 10.389 1.00 0.00 N ATOM 863 CA THR A 59 3.324 6.112 11.804 1.00 0.00 C ATOM 864 C THR A 59 2.087 6.449 12.629 1.00 0.00 C ATOM 865 O THR A 59 1.808 5.805 13.640 1.00 0.00 O ATOM 866 CB THR A 59 4.396 7.192 12.042 1.00 0.00 C ATOM 867 OG1 THR A 59 4.014 8.413 11.399 1.00 0.00 O ATOM 868 CG2 THR A 59 5.749 6.737 11.515 1.00 0.00 C ATOM 0 H THR A 59 3.162 6.839 9.845 1.00 0.00 H new ATOM 0 HA THR A 59 3.716 5.145 12.120 1.00 0.00 H new ATOM 0 HB THR A 59 4.479 7.359 13.116 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.700 9.094 11.557 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.490 7.516 11.694 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.051 5.824 12.028 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.677 6.545 10.445 1.00 0.00 H new ATOM 876 N LYS A 60 1.348 7.463 12.192 1.00 0.00 N ATOM 877 CA LYS A 60 0.139 7.886 12.888 1.00 0.00 C ATOM 878 C LYS A 60 -0.761 6.691 13.189 1.00 0.00 C ATOM 879 O LYS A 60 -1.400 6.632 14.239 1.00 0.00 O ATOM 880 CB LYS A 60 -0.624 8.915 12.051 1.00 0.00 C ATOM 881 CG LYS A 60 -0.142 10.341 12.255 1.00 0.00 C ATOM 882 CD LYS A 60 -1.021 11.337 11.516 1.00 0.00 C ATOM 883 CE LYS A 60 -0.570 12.768 11.762 1.00 0.00 C ATOM 884 NZ LYS A 60 -1.692 13.736 11.617 1.00 0.00 N ATOM 0 H LYS A 60 1.566 8.008 11.358 1.00 0.00 H new ATOM 0 HA LYS A 60 0.435 8.343 13.832 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.530 8.656 10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.684 8.859 12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.139 10.576 13.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.886 10.432 11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.994 11.125 10.447 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.056 11.220 11.838 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.148 12.849 12.764 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.224 13.024 11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.344 14.700 11.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.079 13.678 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.439 13.507 12.304 1.00 0.00 H new ATOM 898 N ASP A 61 -0.806 5.742 12.260 1.00 0.00 N ATOM 899 CA ASP A 61 -1.626 4.548 12.427 1.00 0.00 C ATOM 900 C ASP A 61 -0.761 3.336 12.759 1.00 0.00 C ATOM 901 O ASP A 61 -1.271 2.272 13.109 1.00 0.00 O ATOM 902 CB ASP A 61 -2.437 4.279 11.158 1.00 0.00 C ATOM 903 CG ASP A 61 -3.685 5.137 11.076 1.00 0.00 C ATOM 904 OD1 ASP A 61 -4.725 4.724 11.631 1.00 0.00 O ATOM 905 OD2 ASP A 61 -3.622 6.219 10.457 1.00 0.00 O ATOM 0 H ASP A 61 -0.284 5.777 11.384 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.311 4.721 13.257 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.813 4.467 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.720 3.227 11.127 1.00 0.00 H new ATOM 910 N LYS A 62 0.552 3.505 12.645 1.00 0.00 N ATOM 911 CA LYS A 62 1.490 2.426 12.932 1.00 0.00 C ATOM 912 C LYS A 62 1.266 1.245 11.993 1.00 0.00 C ATOM 913 O LYS A 62 1.441 0.090 12.379 1.00 0.00 O ATOM 914 CB LYS A 62 1.345 1.970 14.386 1.00 0.00 C ATOM 915 CG LYS A 62 1.705 3.042 15.399 1.00 0.00 C ATOM 916 CD LYS A 62 3.211 3.182 15.550 1.00 0.00 C ATOM 917 CE LYS A 62 3.772 2.154 16.521 1.00 0.00 C ATOM 918 NZ LYS A 62 5.195 2.430 16.860 1.00 0.00 N ATOM 0 H LYS A 62 0.991 4.379 12.356 1.00 0.00 H new ATOM 0 HA LYS A 62 2.500 2.805 12.775 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.317 1.651 14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.980 1.099 14.550 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.279 3.996 15.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.263 2.795 16.364 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.688 3.063 14.577 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.451 4.185 15.902 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.175 2.152 17.433 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.689 1.159 16.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.540 1.708 17.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.769 2.406 15.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.271 3.369 17.300 1.00 0.00 H new ATOM 932 N VAL A 63 0.879 1.544 10.757 1.00 0.00 N ATOM 933 CA VAL A 63 0.634 0.507 9.761 1.00 0.00 C ATOM 934 C VAL A 63 1.687 -0.592 9.841 1.00 0.00 C ATOM 935 O VAL A 63 2.887 -0.317 9.837 1.00 0.00 O ATOM 936 CB VAL A 63 0.623 1.089 8.335 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.431 -0.016 7.308 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.462 2.147 8.201 1.00 0.00 C ATOM 0 H VAL A 63 0.728 2.495 10.421 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.346 0.084 9.980 1.00 0.00 H new ATOM 0 HB VAL A 63 1.587 1.563 8.147 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.426 0.415 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.247 -0.734 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.517 -0.521 7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.456 2.548 7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.434 1.700 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.274 2.953 8.911 1.00 0.00 H new ATOM 948 N GLN A 64 1.230 -1.838 9.914 1.00 0.00 N ATOM 949 CA GLN A 64 2.134 -2.979 9.995 1.00 0.00 C ATOM 950 C GLN A 64 1.749 -4.052 8.983 1.00 0.00 C ATOM 951 O GLN A 64 0.717 -3.951 8.319 1.00 0.00 O ATOM 952 CB GLN A 64 2.123 -3.566 11.408 1.00 0.00 C ATOM 953 CG GLN A 64 3.034 -2.834 12.379 1.00 0.00 C ATOM 954 CD GLN A 64 3.499 -3.715 13.521 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.390 -4.548 13.355 1.00 0.00 O ATOM 956 NE2 GLN A 64 2.897 -3.536 14.691 1.00 0.00 N ATOM 0 H GLN A 64 0.240 -2.083 9.919 1.00 0.00 H new ATOM 0 HA GLN A 64 3.140 -2.630 9.762 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.104 -3.545 11.793 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.424 -4.613 11.360 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.903 -2.455 11.841 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.508 -1.969 12.783 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.163 -2.834 14.785 1.00 0.00 H new ATOM 0 HE22 GLN A 64 3.169 -4.100 15.496 1.00 0.00 H new ATOM 965 N ALA A 65 2.585 -5.079 8.869 1.00 0.00 N ATOM 966 CA ALA A 65 2.330 -6.172 7.938 1.00 0.00 C ATOM 967 C ALA A 65 1.125 -6.997 8.377 1.00 0.00 C ATOM 968 O ALA A 65 1.016 -7.385 9.539 1.00 0.00 O ATOM 969 CB ALA A 65 3.562 -7.057 7.814 1.00 0.00 C ATOM 0 H ALA A 65 3.444 -5.177 9.410 1.00 0.00 H new ATOM 0 HA ALA A 65 2.106 -5.741 6.962 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.358 -7.869 7.116 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.400 -6.465 7.447 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.812 -7.472 8.790 1.00 0.00 H new ATOM 975 N GLY A 66 0.222 -7.262 7.438 1.00 0.00 N ATOM 976 CA GLY A 66 -0.964 -8.039 7.747 1.00 0.00 C ATOM 977 C GLY A 66 -2.245 -7.270 7.490 1.00 0.00 C ATOM 978 O GLY A 66 -3.277 -7.860 7.170 1.00 0.00 O ATOM 0 H GLY A 66 0.291 -6.952 6.469 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.964 -8.950 7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.931 -8.345 8.793 1.00 0.00 H new ATOM 982 N ASP A 67 -2.179 -5.951 7.630 1.00 0.00 N ATOM 983 CA ASP A 67 -3.343 -5.100 7.411 1.00 0.00 C ATOM 984 C ASP A 67 -3.450 -4.694 5.945 1.00 0.00 C ATOM 985 O ASP A 67 -2.547 -4.953 5.150 1.00 0.00 O ATOM 986 CB ASP A 67 -3.263 -3.854 8.294 1.00 0.00 C ATOM 987 CG ASP A 67 -3.915 -4.060 9.648 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.159 -3.989 9.724 1.00 0.00 O ATOM 989 OD2 ASP A 67 -3.180 -4.294 10.630 1.00 0.00 O ATOM 0 H ASP A 67 -1.332 -5.448 7.894 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.234 -5.668 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.218 -3.579 8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.746 -3.020 7.785 1.00 0.00 H new ATOM 994 N VAL A 68 -4.562 -4.055 5.593 1.00 0.00 N ATOM 995 CA VAL A 68 -4.788 -3.613 4.222 1.00 0.00 C ATOM 996 C VAL A 68 -4.889 -2.094 4.145 1.00 0.00 C ATOM 997 O VAL A 68 -5.828 -1.496 4.672 1.00 0.00 O ATOM 998 CB VAL A 68 -6.071 -4.232 3.637 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.362 -3.656 2.260 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.952 -5.747 3.576 1.00 0.00 C ATOM 0 H VAL A 68 -5.320 -3.832 6.238 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.932 -3.948 3.636 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.905 -3.982 4.293 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.272 -4.105 1.863 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.494 -2.577 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.529 -3.873 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.868 -6.167 3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.107 -6.020 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.796 -6.140 4.580 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.916 -1.475 3.484 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.896 -0.025 3.336 1.00 0.00 C ATOM 1012 C ILE A 69 -3.967 0.379 1.867 1.00 0.00 C ATOM 1013 O ILE A 69 -3.482 -0.337 0.990 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.631 0.588 3.964 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.379 0.062 3.260 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.577 0.279 5.453 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -1.017 0.838 2.012 1.00 0.00 C ATOM 0 H ILE A 69 -3.132 -1.955 3.043 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.773 0.357 3.859 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.668 1.670 3.838 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.540 0.095 3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.533 -0.984 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.677 0.719 5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.456 0.697 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.559 -0.801 5.600 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.120 0.410 1.565 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.839 0.784 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.831 1.880 2.273 1.00 0.00 H new ATOM 1029 N THR A 70 -4.574 1.532 1.604 1.00 0.00 N ATOM 1030 CA THR A 70 -4.708 2.033 0.242 1.00 0.00 C ATOM 1031 C THR A 70 -3.632 3.065 -0.073 1.00 0.00 C ATOM 1032 O THR A 70 -3.013 3.626 0.832 1.00 0.00 O ATOM 1033 CB THR A 70 -6.093 2.665 0.009 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.424 3.534 1.098 1.00 0.00 O ATOM 1035 CG2 THR A 70 -7.161 1.590 -0.132 1.00 0.00 C ATOM 0 H THR A 70 -4.981 2.137 2.317 1.00 0.00 H new ATOM 0 HA THR A 70 -4.591 1.176 -0.422 1.00 0.00 H new ATOM 0 HB THR A 70 -6.055 3.241 -0.916 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.305 3.933 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.131 2.060 -0.296 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.921 0.948 -0.979 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.197 0.991 0.778 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.414 3.312 -1.360 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.413 4.279 -1.793 1.00 0.00 C ATOM 1045 C ILE A 71 -2.990 5.243 -2.824 1.00 0.00 C ATOM 1046 O ILE A 71 -3.305 4.852 -3.948 1.00 0.00 O ATOM 1047 CB ILE A 71 -1.179 3.581 -2.394 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.401 2.843 -1.303 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.286 4.594 -3.096 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.557 1.803 -1.841 1.00 0.00 C ATOM 0 H ILE A 71 -3.917 2.856 -2.121 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.109 4.837 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.516 2.851 -3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.158 3.569 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.108 2.360 -0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.582 4.085 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.845 5.078 -3.897 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.045 5.345 -2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.074 1.320 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.002 1.055 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.287 2.283 -2.493 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.125 6.506 -2.434 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.661 7.528 -3.325 1.00 0.00 C ATOM 1064 C ASP A 72 -2.536 8.303 -4.003 1.00 0.00 C ATOM 1065 O ASP A 72 -1.869 9.127 -3.377 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.563 8.489 -2.549 1.00 0.00 C ATOM 1067 CG ASP A 72 -6.008 8.032 -2.521 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.242 6.813 -2.383 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.906 8.893 -2.638 1.00 0.00 O ATOM 0 H ASP A 72 -2.871 6.846 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.250 7.030 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.195 8.583 -1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.507 9.480 -3.000 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.329 8.033 -5.288 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.285 8.704 -6.053 1.00 0.00 C ATOM 1076 C LYS A 73 -1.654 10.160 -6.316 1.00 0.00 C ATOM 1077 O LYS A 73 -0.793 11.040 -6.307 1.00 0.00 O ATOM 1078 CB LYS A 73 -1.049 7.978 -7.379 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.448 6.593 -7.216 1.00 0.00 C ATOM 1080 CD LYS A 73 -0.032 6.005 -8.554 1.00 0.00 C ATOM 1081 CE LYS A 73 0.957 4.863 -8.377 1.00 0.00 C ATOM 1082 NZ LYS A 73 1.150 4.095 -9.638 1.00 0.00 N ATOM 0 H LYS A 73 -2.871 7.353 -5.821 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.367 8.681 -5.466 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.997 7.893 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.387 8.581 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.418 6.646 -6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.173 5.935 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.914 5.645 -9.085 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.416 6.784 -9.171 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.916 5.261 -8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.601 4.193 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.818 3.316 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.237 3.708 -9.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.530 4.725 -10.373 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.939 10.407 -6.550 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.422 11.757 -6.812 1.00 0.00 C ATOM 1098 C ALA A 74 -2.704 12.777 -5.935 1.00 0.00 C ATOM 1099 O ALA A 74 -2.353 13.867 -6.390 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.925 11.832 -6.591 1.00 0.00 C ATOM 0 H ALA A 74 -3.664 9.690 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.207 11.998 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.272 12.846 -6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.427 11.138 -7.265 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.155 11.566 -5.559 1.00 0.00 H new ATOM 1106 N THR A 75 -2.489 12.418 -4.673 1.00 0.00 N ATOM 1107 CA THR A 75 -1.816 13.303 -3.731 1.00 0.00 C ATOM 1108 C THR A 75 -0.583 12.634 -3.134 1.00 0.00 C ATOM 1109 O THR A 75 0.443 13.279 -2.921 1.00 0.00 O ATOM 1110 CB THR A 75 -2.757 13.730 -2.589 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.153 14.777 -1.821 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.080 12.551 -1.684 1.00 0.00 C ATOM 0 H THR A 75 -2.771 11.520 -4.280 1.00 0.00 H new ATOM 0 HA THR A 75 -1.512 14.188 -4.291 1.00 0.00 H new ATOM 0 HB THR A 75 -3.685 14.094 -3.030 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.759 15.044 -1.098 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.746 12.877 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.567 11.769 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.159 12.161 -1.252 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.690 11.336 -2.866 1.00 0.00 N ATOM 1121 CA GLY A 76 0.424 10.601 -2.297 1.00 0.00 C ATOM 1122 C GLY A 76 0.198 10.242 -0.842 1.00 0.00 C ATOM 1123 O GLY A 76 1.149 10.121 -0.069 1.00 0.00 O ATOM 0 H GLY A 76 -1.529 10.780 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.586 9.689 -2.872 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.332 11.198 -2.384 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.065 10.071 -0.465 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.414 9.724 0.907 1.00 0.00 C ATOM 1129 C LYS A 77 -1.828 8.259 1.009 1.00 0.00 C ATOM 1130 O LYS A 77 -2.342 7.682 0.050 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.548 10.621 1.409 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.067 11.939 1.992 1.00 0.00 C ATOM 1133 CD LYS A 77 -3.027 12.466 3.046 1.00 0.00 C ATOM 1134 CE LYS A 77 -4.291 13.029 2.416 1.00 0.00 C ATOM 1135 NZ LYS A 77 -5.038 13.906 3.361 1.00 0.00 N ATOM 0 H LYS A 77 -1.864 10.167 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.533 9.879 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.231 10.826 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.117 10.083 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.079 11.804 2.433 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.962 12.674 1.194 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.289 11.663 3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.535 13.242 3.633 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.030 13.597 1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.934 12.209 2.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.893 14.270 2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.309 13.358 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.434 14.703 3.647 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.603 7.665 2.175 1.00 0.00 N ATOM 1150 CA ILE A 78 -1.956 6.269 2.402 1.00 0.00 C ATOM 1151 C ILE A 78 -2.967 6.134 3.535 1.00 0.00 C ATOM 1152 O ILE A 78 -2.716 6.566 4.660 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.713 5.421 2.734 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.346 5.580 1.641 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.098 3.958 2.898 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.758 5.339 2.129 1.00 0.00 C ATOM 0 H ILE A 78 -1.178 8.128 2.978 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.400 5.902 1.477 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.292 5.773 3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.127 4.885 0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.280 6.586 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.209 3.372 3.132 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.821 3.861 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.540 3.592 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.456 5.469 1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.996 6.051 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.840 4.324 2.518 1.00 0.00 H new ATOM 1168 N SER A 79 -4.111 5.529 3.231 1.00 0.00 N ATOM 1169 CA SER A 79 -5.162 5.338 4.223 1.00 0.00 C ATOM 1170 C SER A 79 -5.250 3.875 4.647 1.00 0.00 C ATOM 1171 O SER A 79 -4.880 2.975 3.894 1.00 0.00 O ATOM 1172 CB SER A 79 -6.510 5.801 3.665 1.00 0.00 C ATOM 1173 OG SER A 79 -7.366 6.244 4.704 1.00 0.00 O ATOM 0 H SER A 79 -4.333 5.163 2.305 1.00 0.00 H new ATOM 0 HA SER A 79 -4.914 5.938 5.099 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.353 6.608 2.949 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.984 4.982 3.123 1.00 0.00 H new ATOM 0 HG SER A 79 -8.220 6.536 4.322 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.743 3.646 5.860 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.881 2.293 6.387 1.00 0.00 C ATOM 1181 C LYS A 80 -7.340 1.849 6.368 1.00 0.00 C ATOM 1182 O LYS A 80 -8.237 2.613 6.729 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.333 2.221 7.814 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.890 0.828 8.225 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.185 0.842 9.571 1.00 0.00 C ATOM 1186 CE LYS A 80 -4.386 -0.468 10.319 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.623 -0.449 11.148 1.00 0.00 N ATOM 0 H LYS A 80 -6.054 4.380 6.497 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.306 1.621 5.750 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.488 2.904 7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.099 2.569 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.757 0.169 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.222 0.419 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.120 1.018 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.564 1.668 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.440 -1.290 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.523 -0.657 10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.724 -1.359 11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.561 0.319 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -6.449 -0.294 10.536 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.572 0.611 5.946 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.923 0.064 5.882 1.00 0.00 C ATOM 1203 C LEU A 81 -9.094 -1.081 6.875 1.00 0.00 C ATOM 1204 O LEU A 81 -8.119 -1.693 7.307 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.230 -0.424 4.465 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.506 0.305 3.333 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.836 -0.332 1.992 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.872 1.782 3.329 1.00 0.00 C ATOM 0 H LEU A 81 -6.842 -0.033 5.643 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.623 0.857 6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.982 -1.484 4.405 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.304 -0.338 4.297 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.432 0.219 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.312 0.200 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.522 -1.376 1.998 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.911 -0.277 1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.347 2.285 2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.947 1.890 3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.584 2.231 4.280 1.00 0.00 H new ATOM 1220 N GLY A 82 -10.343 -1.366 7.231 1.00 0.00 N ATOM 1221 CA GLY A 82 -10.620 -2.439 8.169 1.00 0.00 C ATOM 1222 C GLY A 82 -10.203 -3.796 7.638 1.00 0.00 C ATOM 1223 O GLY A 82 -10.206 -4.024 6.428 1.00 0.00 O ATOM 0 H GLY A 82 -11.167 -0.874 6.887 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.098 -2.243 9.105 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.686 -2.453 8.396 1.00 0.00 H new ATOM 1227 N ARG A 83 -9.840 -4.698 8.544 1.00 0.00 N ATOM 1228 CA ARG A 83 -9.415 -6.038 8.160 1.00 0.00 C ATOM 1229 C ARG A 83 -10.253 -6.562 6.997 1.00 0.00 C ATOM 1230 O ARG A 83 -11.450 -6.287 6.908 1.00 0.00 O ATOM 1231 CB ARG A 83 -9.523 -6.992 9.351 1.00 0.00 C ATOM 1232 CG ARG A 83 -8.352 -6.898 10.315 1.00 0.00 C ATOM 1233 CD ARG A 83 -7.047 -7.303 9.648 1.00 0.00 C ATOM 1234 NE ARG A 83 -6.105 -7.889 10.598 1.00 0.00 N ATOM 1235 CZ ARG A 83 -6.134 -9.165 10.969 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -7.052 -9.983 10.472 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -5.243 -9.624 11.838 1.00 0.00 N ATOM 0 H ARG A 83 -9.832 -4.525 9.549 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.374 -5.984 7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.446 -6.781 9.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.597 -8.015 8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.269 -5.878 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.536 -7.540 11.176 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.253 -8.020 8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.593 -6.430 9.179 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.386 -7.286 10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.738 -9.633 9.803 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.072 -10.962 10.759 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.535 -8.998 12.222 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.266 -10.603 12.122 1.00 0.00 H new ATOM 1251 N SER A 84 -9.617 -7.319 6.109 1.00 0.00 N ATOM 1252 CA SER A 84 -10.302 -7.878 4.950 1.00 0.00 C ATOM 1253 C SER A 84 -11.672 -8.425 5.340 1.00 0.00 C ATOM 1254 O SER A 84 -11.784 -9.532 5.866 1.00 0.00 O ATOM 1255 CB SER A 84 -9.459 -8.987 4.318 1.00 0.00 C ATOM 1256 OG SER A 84 -9.210 -10.030 5.245 1.00 0.00 O ATOM 0 H SER A 84 -8.628 -7.559 6.170 1.00 0.00 H new ATOM 0 HA SER A 84 -10.443 -7.079 4.222 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.975 -9.387 3.445 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.513 -8.574 3.968 1.00 0.00 H new ATOM 0 HG SER A 84 -10.020 -10.202 5.769 1.00 0.00 H new ATOM 1262 N PHE A 85 -12.712 -7.639 5.078 1.00 0.00 N ATOM 1263 CA PHE A 85 -14.075 -8.043 5.403 1.00 0.00 C ATOM 1264 C PHE A 85 -14.298 -9.517 5.077 1.00 0.00 C ATOM 1265 O PHE A 85 -13.606 -10.091 4.236 1.00 0.00 O ATOM 1266 CB PHE A 85 -15.081 -7.182 4.636 1.00 0.00 C ATOM 1267 CG PHE A 85 -14.958 -5.713 4.928 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -15.368 -5.200 6.147 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -14.432 -4.847 3.983 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -15.257 -3.849 6.418 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -14.318 -3.495 4.248 1.00 0.00 C ATOM 1272 CZ PHE A 85 -14.730 -2.996 5.468 1.00 0.00 C ATOM 0 H PHE A 85 -12.637 -6.720 4.642 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.225 -7.899 6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -14.945 -7.344 3.567 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -16.091 -7.510 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -15.779 -5.863 6.894 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.107 -5.233 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -15.582 -3.461 7.372 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -13.908 -2.830 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.640 -1.941 5.679 1.00 0.00 H new ATOM 1282 N THR A 86 -15.271 -10.125 5.749 1.00 0.00 N ATOM 1283 CA THR A 86 -15.585 -11.532 5.534 1.00 0.00 C ATOM 1284 C THR A 86 -17.083 -11.785 5.656 1.00 0.00 C ATOM 1285 O THR A 86 -17.710 -11.396 6.642 1.00 0.00 O ATOM 1286 CB THR A 86 -14.840 -12.434 6.536 1.00 0.00 C ATOM 1287 OG1 THR A 86 -15.063 -13.811 6.215 1.00 0.00 O ATOM 1288 CG2 THR A 86 -15.301 -12.158 7.959 1.00 0.00 C ATOM 0 H THR A 86 -15.855 -9.665 6.447 1.00 0.00 H new ATOM 0 HA THR A 86 -15.258 -11.778 4.524 1.00 0.00 H new ATOM 0 HB THR A 86 -13.775 -12.214 6.467 1.00 0.00 H new ATOM 0 HG1 THR A 86 -14.585 -14.378 6.856 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.761 -12.807 8.649 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.102 -11.116 8.210 1.00 0.00 H new ATOM 0 HG23 THR A 86 -16.370 -12.353 8.039 1.00 0.00 H new ATOM 1296 N ARG A 87 -17.652 -12.441 4.649 1.00 0.00 N ATOM 1297 CA ARG A 87 -19.077 -12.746 4.644 1.00 0.00 C ATOM 1298 C ARG A 87 -19.340 -14.105 4.003 1.00 0.00 C ATOM 1299 O ARG A 87 -18.856 -14.390 2.909 1.00 0.00 O ATOM 1300 CB ARG A 87 -19.851 -11.659 3.896 1.00 0.00 C ATOM 1301 CG ARG A 87 -19.521 -10.249 4.358 1.00 0.00 C ATOM 1302 CD ARG A 87 -20.227 -9.911 5.663 1.00 0.00 C ATOM 1303 NE ARG A 87 -19.872 -8.580 6.148 1.00 0.00 N ATOM 1304 CZ ARG A 87 -20.325 -8.069 7.288 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -21.145 -8.774 8.055 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -19.957 -6.851 7.662 1.00 0.00 N ATOM 0 H ARG A 87 -17.147 -12.771 3.826 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.419 -12.779 5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -19.639 -11.742 2.830 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -20.920 -11.833 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -18.443 -10.151 4.490 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -19.814 -9.535 3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -21.306 -9.968 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -19.968 -10.653 6.418 1.00 0.00 H new ATOM 0 HE ARG A 87 -19.242 -8.012 5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.430 -9.711 7.771 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -21.491 -8.379 8.929 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -19.326 -6.306 7.075 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -20.305 -6.459 8.537 1.00 0.00 H new ATOM 1320 N ALA A 88 -20.110 -14.940 4.694 1.00 0.00 N ATOM 1321 CA ALA A 88 -20.438 -16.269 4.191 1.00 0.00 C ATOM 1322 C ALA A 88 -21.660 -16.224 3.280 1.00 0.00 C ATOM 1323 O ALA A 88 -22.466 -15.297 3.352 1.00 0.00 O ATOM 1324 CB ALA A 88 -20.675 -17.227 5.349 1.00 0.00 C ATOM 0 H ALA A 88 -20.518 -14.720 5.603 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.593 -16.628 3.604 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.919 -18.215 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -19.774 -17.290 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.502 -16.863 5.959 1.00 0.00 H new ATOM 1330 N ARG A 89 -21.790 -17.232 2.423 1.00 0.00 N ATOM 1331 CA ARG A 89 -22.913 -17.306 1.496 1.00 0.00 C ATOM 1332 C ARG A 89 -23.845 -18.457 1.863 1.00 0.00 C ATOM 1333 O ARG A 89 -25.018 -18.245 2.170 1.00 0.00 O ATOM 1334 CB ARG A 89 -22.408 -17.482 0.063 1.00 0.00 C ATOM 1335 CG ARG A 89 -23.506 -17.394 -0.984 1.00 0.00 C ATOM 1336 CD ARG A 89 -22.931 -17.199 -2.379 1.00 0.00 C ATOM 1337 NE ARG A 89 -22.335 -15.876 -2.544 1.00 0.00 N ATOM 1338 CZ ARG A 89 -23.041 -14.752 -2.592 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -24.362 -14.791 -2.486 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -22.426 -13.586 -2.745 1.00 0.00 N ATOM 0 H ARG A 89 -21.132 -18.008 2.352 1.00 0.00 H new ATOM 0 HA ARG A 89 -23.471 -16.372 1.565 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -21.657 -16.720 -0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -21.913 -18.449 -0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -24.106 -18.303 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -24.173 -16.566 -0.745 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -22.177 -17.963 -2.571 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -23.720 -17.336 -3.119 1.00 0.00 H new ATOM 0 HE ARG A 89 -21.320 -15.812 -2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -24.838 -15.685 -2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -24.902 -13.927 -2.523 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -21.410 -13.552 -2.826 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -22.970 -12.724 -2.782 1.00 0.00 H new ATOM 1354 N SER A 90 -23.315 -19.676 1.828 1.00 0.00 N ATOM 1355 CA SER A 90 -24.100 -20.861 2.153 1.00 0.00 C ATOM 1356 C SER A 90 -23.604 -21.505 3.444 1.00 0.00 C ATOM 1357 O SER A 90 -22.514 -22.074 3.488 1.00 0.00 O ATOM 1358 CB SER A 90 -24.034 -21.872 1.007 1.00 0.00 C ATOM 1359 OG SER A 90 -24.637 -21.354 -0.166 1.00 0.00 O ATOM 0 H SER A 90 -22.345 -19.868 1.578 1.00 0.00 H new ATOM 0 HA SER A 90 -25.135 -20.552 2.297 1.00 0.00 H new ATOM 0 HB2 SER A 90 -22.994 -22.127 0.803 1.00 0.00 H new ATOM 0 HB3 SER A 90 -24.537 -22.793 1.301 1.00 0.00 H new ATOM 0 HG SER A 90 -24.580 -22.019 -0.884 1.00 0.00 H new ATOM 1365 N GLY A 91 -24.413 -21.410 4.494 1.00 0.00 N ATOM 1366 CA GLY A 91 -24.040 -21.987 5.773 1.00 0.00 C ATOM 1367 C GLY A 91 -24.153 -20.994 6.912 1.00 0.00 C ATOM 1368 O GLY A 91 -23.172 -20.373 7.322 1.00 0.00 O ATOM 0 H GLY A 91 -25.320 -20.944 4.482 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -24.677 -22.847 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -23.016 -22.356 5.717 1.00 0.00 H new ATOM 1372 N PRO A 92 -25.375 -20.831 7.442 1.00 0.00 N ATOM 1373 CA PRO A 92 -25.641 -19.907 8.547 1.00 0.00 C ATOM 1374 C PRO A 92 -25.028 -20.381 9.861 1.00 0.00 C ATOM 1375 O PRO A 92 -24.341 -21.401 9.903 1.00 0.00 O ATOM 1376 CB PRO A 92 -27.169 -19.899 8.643 1.00 0.00 C ATOM 1377 CG PRO A 92 -27.590 -21.211 8.075 1.00 0.00 C ATOM 1378 CD PRO A 92 -26.589 -21.539 7.003 1.00 0.00 C ATOM 0 HA PRO A 92 -25.206 -18.924 8.369 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -27.500 -19.790 9.676 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -27.597 -19.069 8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -27.604 -21.983 8.845 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -28.598 -21.153 7.663 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -26.422 -22.613 6.925 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -26.922 -21.196 6.023 1.00 0.00 H new ATOM 1386 N SER A 93 -25.281 -19.633 10.930 1.00 0.00 N ATOM 1387 CA SER A 93 -24.750 -19.976 12.245 1.00 0.00 C ATOM 1388 C SER A 93 -25.872 -20.076 13.274 1.00 0.00 C ATOM 1389 O SER A 93 -26.996 -19.638 13.029 1.00 0.00 O ATOM 1390 CB SER A 93 -23.725 -18.933 12.692 1.00 0.00 C ATOM 1391 OG SER A 93 -22.969 -19.400 13.796 1.00 0.00 O ATOM 0 H SER A 93 -25.850 -18.786 10.912 1.00 0.00 H new ATOM 0 HA SER A 93 -24.261 -20.947 12.170 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.057 -18.697 11.864 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.236 -18.009 12.962 1.00 0.00 H new ATOM 0 HG SER A 93 -22.320 -18.715 14.061 1.00 0.00 H new ATOM 1397 N SER A 94 -25.558 -20.656 14.428 1.00 0.00 N ATOM 1398 CA SER A 94 -26.539 -20.818 15.494 1.00 0.00 C ATOM 1399 C SER A 94 -27.097 -19.467 15.929 1.00 0.00 C ATOM 1400 O SER A 94 -26.442 -18.716 16.651 1.00 0.00 O ATOM 1401 CB SER A 94 -25.909 -21.533 16.692 1.00 0.00 C ATOM 1402 OG SER A 94 -25.292 -22.745 16.295 1.00 0.00 O ATOM 0 H SER A 94 -24.632 -21.022 14.648 1.00 0.00 H new ATOM 0 HA SER A 94 -27.360 -21.423 15.110 1.00 0.00 H new ATOM 0 HB2 SER A 94 -25.171 -20.882 17.161 1.00 0.00 H new ATOM 0 HB3 SER A 94 -26.674 -21.739 17.440 1.00 0.00 H new ATOM 0 HG SER A 94 -24.896 -23.182 17.078 1.00 0.00 H new ATOM 1408 N GLY A 95 -28.312 -19.163 15.484 1.00 0.00 N ATOM 1409 CA GLY A 95 -28.939 -17.903 15.837 1.00 0.00 C ATOM 1410 C GLY A 95 -27.949 -16.755 15.876 1.00 0.00 C ATOM 1411 O GLY A 95 -28.208 -15.684 15.327 1.00 0.00 O ATOM 0 H GLY A 95 -28.874 -19.768 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -29.725 -17.677 15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -29.418 -17.999 16.811 1.00 0.00 H new TER 1415 GLY A 95