USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 668 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 Single : A 1 MET CE :methyl 162:sc= -0.181 (180deg=-0.629) USER MOD Single : A 1 MET N :NH3+ 171:sc= 0 (180deg=-0.0528) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00521 USER MOD Single : A 11 HIS : no HD1:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 HIS : no HD1:sc=-0.00431 X(o=-0.0043,f=0) USER MOD Single : A 22 ASN : amide:sc= 0.631 K(o=0.63,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0.317 K(o=0.32,f=-0.73) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 0.841 (180deg=-0.121) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 120:sc= 0 USER MOD Single : A 54 THR OG1 : rot -87:sc= 0.725 USER MOD Single : A 57 THR OG1 : rot -22:sc= 0.651 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= -0.0323 (180deg=-0.157) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -160:sc= -0.944 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 86:sc= 0.188 USER MOD Single : A 99 GLN : amide:sc= -2.04! K(o=-2!,f=-5.7e-06) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.290 -17.314 16.192 1.00 53.15 N ATOM 2 CA MET A 1 -9.839 -17.202 15.963 1.00 72.43 C ATOM 3 C MET A 1 -9.339 -15.945 16.655 1.00 54.12 C ATOM 4 O MET A 1 -9.782 -14.857 16.301 1.00 44.43 O ATOM 5 CB MET A 1 -9.542 -17.150 14.465 1.00 54.31 C ATOM 6 CG MET A 1 -8.040 -17.084 14.173 1.00 3.24 C ATOM 7 SD MET A 1 -7.632 -16.948 12.413 1.00 34.31 S ATOM 8 CE MET A 1 -8.491 -15.408 11.977 1.00 75.43 C ATOM 0 H1 MET A 1 -11.676 -18.079 15.603 1.00 53.15 H new ATOM 0 H2 MET A 1 -11.468 -17.525 17.195 1.00 53.15 H new ATOM 0 H3 MET A 1 -11.752 -16.417 15.940 1.00 53.15 H new ATOM 0 HA MET A 1 -9.327 -18.073 16.373 1.00 72.43 H new ATOM 0 HB2 MET A 1 -9.966 -18.031 13.982 1.00 54.31 H new ATOM 0 HB3 MET A 1 -10.033 -16.280 14.029 1.00 54.31 H new ATOM 0 HG2 MET A 1 -7.616 -16.229 14.700 1.00 3.24 H new ATOM 0 HG3 MET A 1 -7.563 -17.977 14.577 1.00 3.24 H new ATOM 0 HE1 MET A 1 -8.089 -15.019 11.041 1.00 75.43 H new ATOM 0 HE2 MET A 1 -9.556 -15.606 11.859 1.00 75.43 H new ATOM 0 HE3 MET A 1 -8.344 -14.673 12.768 1.00 75.43 H new ATOM 16 N THR A 2 -8.441 -16.056 17.638 1.00 52.15 N ATOM 17 CA THR A 2 -8.257 -15.010 18.648 1.00 53.02 C ATOM 18 C THR A 2 -6.783 -14.628 18.834 1.00 11.34 C ATOM 19 O THR A 2 -6.360 -14.312 19.948 1.00 53.41 O ATOM 20 CB THR A 2 -8.982 -15.463 19.932 1.00 21.40 C ATOM 21 OG1 THR A 2 -8.435 -16.670 20.430 1.00 11.22 O ATOM 22 CG2 THR A 2 -10.462 -15.727 19.627 1.00 62.23 C ATOM 0 H THR A 2 -7.828 -16.863 17.756 1.00 52.15 H new ATOM 0 HA THR A 2 -8.708 -14.073 18.321 1.00 53.02 H new ATOM 0 HB THR A 2 -8.864 -14.669 20.670 1.00 21.40 H new ATOM 0 HG1 THR A 2 -8.912 -16.933 21.245 1.00 11.22 H new ATOM 0 HG21 THR A 2 -10.970 -16.047 20.537 1.00 62.23 H new ATOM 0 HG22 THR A 2 -10.925 -14.813 19.255 1.00 62.23 H new ATOM 0 HG23 THR A 2 -10.544 -16.509 18.872 1.00 62.23 H new ATOM 30 N THR A 3 -6.001 -14.704 17.748 1.00 13.20 N ATOM 31 CA THR A 3 -4.541 -14.668 17.691 1.00 13.22 C ATOM 32 C THR A 3 -3.896 -15.622 18.714 1.00 72.15 C ATOM 33 O THR A 3 -4.577 -16.494 19.275 1.00 63.52 O ATOM 34 CB THR A 3 -4.031 -13.208 17.683 1.00 52.12 C ATOM 35 OG1 THR A 3 -2.771 -13.160 17.067 1.00 4.11 O ATOM 36 CG2 THR A 3 -3.878 -12.537 19.050 1.00 74.35 C ATOM 0 H THR A 3 -6.408 -14.799 16.818 1.00 13.20 H new ATOM 0 HA THR A 3 -4.200 -15.077 16.740 1.00 13.22 H new ATOM 0 HB THR A 3 -4.807 -12.660 17.149 1.00 52.12 H new ATOM 0 HG1 THR A 3 -2.446 -12.236 17.059 1.00 4.11 H new ATOM 0 HG21 THR A 3 -3.514 -11.518 18.917 1.00 74.35 H new ATOM 0 HG22 THR A 3 -4.844 -12.514 19.554 1.00 74.35 H new ATOM 0 HG23 THR A 3 -3.166 -13.100 19.654 1.00 74.35 H new ATOM 44 N PHE A 4 -2.577 -15.556 18.890 1.00 71.32 N ATOM 45 CA PHE A 4 -1.877 -16.243 19.961 1.00 21.53 C ATOM 46 C PHE A 4 -0.620 -15.458 20.346 1.00 4.43 C ATOM 47 O PHE A 4 -0.386 -14.331 19.891 1.00 73.32 O ATOM 48 CB PHE A 4 -1.567 -17.705 19.561 1.00 53.34 C ATOM 49 CG PHE A 4 -1.316 -18.624 20.745 1.00 74.33 C ATOM 50 CD1 PHE A 4 -2.303 -18.772 21.741 1.00 52.04 C ATOM 51 CD2 PHE A 4 -0.083 -19.290 20.885 1.00 44.33 C ATOM 52 CE1 PHE A 4 -2.046 -19.547 22.886 1.00 20.21 C ATOM 53 CE2 PHE A 4 0.173 -20.064 22.029 1.00 52.24 C ATOM 54 CZ PHE A 4 -0.802 -20.185 23.033 1.00 54.45 C ATOM 0 H PHE A 4 -1.962 -15.016 18.282 1.00 71.32 H new ATOM 0 HA PHE A 4 -2.516 -16.291 20.843 1.00 21.53 H new ATOM 0 HB2 PHE A 4 -2.401 -18.097 18.979 1.00 53.34 H new ATOM 0 HB3 PHE A 4 -0.691 -17.717 18.912 1.00 53.34 H new ATOM 0 HD1 PHE A 4 -3.261 -18.288 21.624 1.00 52.04 H new ATOM 0 HD2 PHE A 4 0.667 -19.206 20.112 1.00 44.33 H new ATOM 0 HE1 PHE A 4 -2.802 -19.652 23.650 1.00 20.21 H new ATOM 0 HE2 PHE A 4 1.122 -20.568 22.137 1.00 52.24 H new ATOM 0 HZ PHE A 4 -0.596 -20.768 23.918 1.00 54.45 H new ATOM 63 N ASP A 5 0.157 -16.067 21.236 1.00 4.34 N ATOM 64 CA ASP A 5 1.513 -15.695 21.615 1.00 52.31 C ATOM 65 C ASP A 5 2.506 -16.394 20.672 1.00 41.34 C ATOM 66 O ASP A 5 2.110 -17.109 19.741 1.00 44.31 O ATOM 67 CB ASP A 5 1.742 -16.132 23.074 1.00 3.34 C ATOM 68 CG ASP A 5 1.112 -15.149 24.055 1.00 51.25 C ATOM 69 OD1 ASP A 5 1.539 -13.971 24.055 1.00 74.21 O ATOM 70 OD2 ASP A 5 0.297 -15.570 24.911 1.00 64.24 O ATOM 0 H ASP A 5 -0.167 -16.889 21.745 1.00 4.34 H new ATOM 0 HA ASP A 5 1.661 -14.618 21.535 1.00 52.31 H new ATOM 0 HB2 ASP A 5 1.319 -17.124 23.229 1.00 3.34 H new ATOM 0 HB3 ASP A 5 2.812 -16.208 23.269 1.00 3.34 H new ATOM 74 N ASP A 6 3.809 -16.205 20.896 1.00 75.54 N ATOM 75 CA ASP A 6 4.917 -16.722 20.081 1.00 52.01 C ATOM 76 C ASP A 6 4.800 -16.248 18.623 1.00 60.44 C ATOM 77 O ASP A 6 3.983 -15.384 18.287 1.00 32.10 O ATOM 78 CB ASP A 6 5.051 -18.262 20.217 1.00 0.02 C ATOM 79 CG ASP A 6 5.684 -18.727 21.530 1.00 73.14 C ATOM 80 OD1 ASP A 6 5.977 -17.904 22.423 1.00 54.03 O ATOM 81 OD2 ASP A 6 6.017 -19.929 21.626 1.00 15.23 O ATOM 0 H ASP A 6 4.139 -15.659 21.692 1.00 75.54 H new ATOM 0 HA ASP A 6 5.849 -16.306 20.464 1.00 52.01 H new ATOM 0 HB2 ASP A 6 4.062 -18.710 20.126 1.00 0.02 H new ATOM 0 HB3 ASP A 6 5.649 -18.637 19.386 1.00 0.02 H new ATOM 85 N ARG A 7 5.656 -16.758 17.730 1.00 55.13 N ATOM 86 CA ARG A 7 5.661 -16.410 16.304 1.00 13.02 C ATOM 87 C ARG A 7 5.661 -17.645 15.399 1.00 74.21 C ATOM 88 O ARG A 7 5.579 -17.493 14.177 1.00 11.01 O ATOM 89 CB ARG A 7 6.855 -15.477 16.005 1.00 43.34 C ATOM 90 CG ARG A 7 6.800 -14.170 16.822 1.00 33.13 C ATOM 91 CD ARG A 7 7.849 -13.152 16.358 1.00 2.14 C ATOM 92 NE ARG A 7 8.083 -12.121 17.384 1.00 63.53 N ATOM 93 CZ ARG A 7 9.192 -11.380 17.498 1.00 60.52 C ATOM 94 NH1 ARG A 7 10.108 -11.379 16.535 1.00 64.35 N ATOM 95 NH2 ARG A 7 9.405 -10.663 18.595 1.00 42.33 N ATOM 0 H ARG A 7 6.376 -17.435 17.982 1.00 55.13 H new ATOM 0 HA ARG A 7 4.735 -15.881 16.079 1.00 13.02 H new ATOM 0 HB2 ARG A 7 7.785 -16.001 16.225 1.00 43.34 H new ATOM 0 HB3 ARG A 7 6.868 -15.237 14.942 1.00 43.34 H new ATOM 0 HG2 ARG A 7 5.806 -13.731 16.735 1.00 33.13 H new ATOM 0 HG3 ARG A 7 6.957 -14.396 17.877 1.00 33.13 H new ATOM 0 HD2 ARG A 7 8.784 -13.666 16.135 1.00 2.14 H new ATOM 0 HD3 ARG A 7 7.517 -12.680 15.434 1.00 2.14 H new ATOM 0 HE ARG A 7 7.339 -11.959 18.063 1.00 63.53 H new ATOM 0 HH11 ARG A 7 9.970 -11.947 15.699 1.00 64.35 H new ATOM 0 HH12 ARG A 7 10.949 -10.811 16.632 1.00 64.35 H new ATOM 0 HH21 ARG A 7 8.723 -10.676 19.353 1.00 42.33 H new ATOM 0 HH22 ARG A 7 10.251 -10.099 18.680 1.00 42.33 H new ATOM 106 N GLU A 8 5.681 -18.843 15.996 1.00 22.51 N ATOM 107 CA GLU A 8 6.211 -20.115 15.480 1.00 3.21 C ATOM 108 C GLU A 8 5.626 -20.567 14.140 1.00 72.13 C ATOM 109 O GLU A 8 6.317 -21.184 13.330 1.00 73.35 O ATOM 110 CB GLU A 8 6.062 -21.158 16.601 1.00 52.35 C ATOM 111 CG GLU A 8 6.937 -22.413 16.431 1.00 14.22 C ATOM 112 CD GLU A 8 6.243 -23.548 15.680 1.00 54.45 C ATOM 113 OE1 GLU A 8 5.137 -23.955 16.096 1.00 53.01 O ATOM 114 OE2 GLU A 8 6.793 -24.090 14.697 1.00 42.42 O ATOM 0 H GLU A 8 5.294 -18.959 16.933 1.00 22.51 H new ATOM 0 HA GLU A 8 7.262 -19.979 15.225 1.00 3.21 H new ATOM 0 HB2 GLU A 8 6.307 -20.686 17.553 1.00 52.35 H new ATOM 0 HB3 GLU A 8 5.018 -21.465 16.657 1.00 52.35 H new ATOM 0 HG2 GLU A 8 7.848 -22.140 15.898 1.00 14.22 H new ATOM 0 HG3 GLU A 8 7.238 -22.771 17.415 1.00 14.22 H new ATOM 119 N ARG A 9 4.375 -20.212 13.849 1.00 32.31 N ATOM 120 CA ARG A 9 3.858 -20.179 12.478 1.00 72.12 C ATOM 121 C ARG A 9 2.781 -19.116 12.355 1.00 51.35 C ATOM 122 O ARG A 9 1.731 -19.321 11.752 1.00 54.35 O ATOM 123 CB ARG A 9 3.371 -21.552 12.005 1.00 64.42 C ATOM 124 CG ARG A 9 2.393 -22.286 12.917 1.00 53.45 C ATOM 125 CD ARG A 9 3.221 -23.152 13.845 1.00 54.13 C ATOM 126 NE ARG A 9 2.484 -24.377 14.195 1.00 14.24 N ATOM 127 CZ ARG A 9 3.015 -25.601 14.133 1.00 41.12 C ATOM 128 NH1 ARG A 9 4.322 -25.796 14.241 1.00 74.45 N ATOM 129 NH2 ARG A 9 2.219 -26.637 13.905 1.00 62.45 N ATOM 0 H ARG A 9 3.691 -19.939 14.555 1.00 32.31 H new ATOM 0 HA ARG A 9 4.680 -19.913 11.813 1.00 72.12 H new ATOM 0 HB2 ARG A 9 2.899 -21.428 11.030 1.00 64.42 H new ATOM 0 HB3 ARG A 9 4.243 -22.190 11.858 1.00 64.42 H new ATOM 0 HG2 ARG A 9 1.790 -21.578 13.485 1.00 53.45 H new ATOM 0 HG3 ARG A 9 1.704 -22.896 12.333 1.00 53.45 H new ATOM 0 HD2 ARG A 9 4.165 -23.412 13.365 1.00 54.13 H new ATOM 0 HD3 ARG A 9 3.466 -22.596 14.750 1.00 54.13 H new ATOM 0 HE ARG A 9 1.515 -24.286 14.501 1.00 14.24 H new ATOM 0 HH11 ARG A 9 4.947 -25.001 14.375 1.00 74.45 H new ATOM 0 HH12 ARG A 9 4.703 -26.741 14.190 1.00 74.45 H new ATOM 0 HH21 ARG A 9 1.217 -26.493 13.780 1.00 62.45 H new ATOM 0 HH22 ARG A 9 2.609 -27.578 13.855 1.00 62.45 H new ATOM 140 N ALA A 10 3.018 -17.994 13.016 1.00 12.41 N ATOM 141 CA ALA A 10 1.940 -17.140 13.456 1.00 71.11 C ATOM 142 C ALA A 10 2.249 -15.669 13.215 1.00 35.31 C ATOM 143 O ALA A 10 1.327 -14.892 12.993 1.00 11.00 O ATOM 144 CB ALA A 10 1.707 -17.445 14.931 1.00 72.33 C ATOM 0 H ALA A 10 3.950 -17.658 13.257 1.00 12.41 H new ATOM 0 HA ALA A 10 1.035 -17.339 12.882 1.00 71.11 H new ATOM 0 HB1 ALA A 10 0.897 -16.820 15.308 1.00 72.33 H new ATOM 0 HB2 ALA A 10 1.439 -18.495 15.048 1.00 72.33 H new ATOM 0 HB3 ALA A 10 2.617 -17.238 15.494 1.00 72.33 H new ATOM 150 N HIS A 11 3.533 -15.298 13.206 1.00 23.33 N ATOM 151 CA HIS A 11 3.972 -13.944 12.878 1.00 43.45 C ATOM 152 C HIS A 11 5.099 -13.941 11.851 1.00 4.31 C ATOM 153 O HIS A 11 5.452 -12.877 11.359 1.00 11.03 O ATOM 154 CB HIS A 11 4.445 -13.214 14.131 1.00 2.12 C ATOM 155 CG HIS A 11 3.370 -12.891 15.143 1.00 13.01 C ATOM 156 ND1 HIS A 11 2.976 -11.626 15.506 1.00 4.40 N ATOM 157 CD2 HIS A 11 2.601 -13.773 15.853 1.00 53.32 C ATOM 158 CE1 HIS A 11 1.975 -11.751 16.392 1.00 53.02 C ATOM 159 NE2 HIS A 11 1.692 -13.044 16.625 1.00 11.34 N ATOM 0 H HIS A 11 4.299 -15.934 13.428 1.00 23.33 H new ATOM 0 HA HIS A 11 3.111 -13.431 12.450 1.00 43.45 H new ATOM 0 HB2 HIS A 11 5.207 -13.822 14.618 1.00 2.12 H new ATOM 0 HB3 HIS A 11 4.925 -12.284 13.828 1.00 2.12 H new ATOM 0 HD2 HIS A 11 2.683 -14.849 15.822 1.00 53.32 H new ATOM 0 HE1 HIS A 11 1.464 -10.921 16.857 1.00 53.02 H new ATOM 0 HE2 HIS A 11 0.966 -13.416 17.237 1.00 11.34 H new ATOM 166 N GLU A 12 5.657 -15.101 11.519 1.00 33.10 N ATOM 167 CA GLU A 12 6.528 -15.281 10.366 1.00 62.22 C ATOM 168 C GLU A 12 5.667 -16.001 9.323 1.00 22.14 C ATOM 169 O GLU A 12 5.248 -15.412 8.322 1.00 35.21 O ATOM 170 CB GLU A 12 7.783 -16.079 10.778 1.00 71.21 C ATOM 171 CG GLU A 12 8.741 -15.310 11.714 1.00 43.35 C ATOM 172 CD GLU A 12 9.613 -14.247 11.030 1.00 21.53 C ATOM 173 OE1 GLU A 12 9.444 -13.995 9.819 1.00 71.32 O ATOM 174 OE2 GLU A 12 10.506 -13.679 11.712 1.00 60.54 O ATOM 0 H GLU A 12 5.513 -15.957 12.055 1.00 33.10 H new ATOM 0 HA GLU A 12 6.904 -14.344 9.956 1.00 62.22 H new ATOM 0 HB2 GLU A 12 7.469 -16.998 11.273 1.00 71.21 H new ATOM 0 HB3 GLU A 12 8.327 -16.370 9.879 1.00 71.21 H new ATOM 0 HG2 GLU A 12 8.151 -14.826 12.493 1.00 43.35 H new ATOM 0 HG3 GLU A 12 9.394 -16.029 12.209 1.00 43.35 H new ATOM 179 N ALA A 13 5.305 -17.259 9.613 1.00 22.14 N ATOM 180 CA ALA A 13 4.672 -18.133 8.623 1.00 44.41 C ATOM 181 C ALA A 13 3.347 -17.573 8.115 1.00 0.00 C ATOM 182 O ALA A 13 3.079 -17.657 6.921 1.00 15.22 O ATOM 183 CB ALA A 13 4.406 -19.540 9.164 1.00 11.14 C ATOM 0 H ALA A 13 5.441 -17.691 10.527 1.00 22.14 H new ATOM 0 HA ALA A 13 5.389 -18.186 7.804 1.00 44.41 H new ATOM 0 HB1 ALA A 13 3.936 -20.145 8.389 1.00 11.14 H new ATOM 0 HB2 ALA A 13 5.349 -20.000 9.462 1.00 11.14 H new ATOM 0 HB3 ALA A 13 3.744 -19.479 10.028 1.00 11.14 H new ATOM 189 N LYS A 14 2.520 -17.016 9.006 1.00 61.13 N ATOM 190 CA LYS A 14 1.166 -16.586 8.674 1.00 21.52 C ATOM 191 C LYS A 14 1.161 -15.667 7.457 1.00 43.03 C ATOM 192 O LYS A 14 0.275 -15.770 6.614 1.00 33.41 O ATOM 193 CB LYS A 14 0.539 -15.882 9.888 1.00 4.43 C ATOM 194 CG LYS A 14 -0.969 -16.142 9.988 1.00 4.23 C ATOM 195 CD LYS A 14 -1.252 -17.495 10.658 1.00 3.33 C ATOM 196 CE LYS A 14 -2.671 -17.986 10.365 1.00 12.11 C ATOM 197 NZ LYS A 14 -3.028 -19.138 11.221 1.00 1.12 N ATOM 0 H LYS A 14 2.776 -16.852 9.980 1.00 61.13 H new ATOM 0 HA LYS A 14 0.573 -17.465 8.422 1.00 21.52 H new ATOM 0 HB2 LYS A 14 1.027 -16.227 10.799 1.00 4.43 H new ATOM 0 HB3 LYS A 14 0.718 -14.809 9.817 1.00 4.43 H new ATOM 0 HG2 LYS A 14 -1.442 -15.343 10.559 1.00 4.23 H new ATOM 0 HG3 LYS A 14 -1.411 -16.126 8.992 1.00 4.23 H new ATOM 0 HD2 LYS A 14 -0.532 -18.233 10.306 1.00 3.33 H new ATOM 0 HD3 LYS A 14 -1.114 -17.404 11.735 1.00 3.33 H new ATOM 0 HE2 LYS A 14 -3.380 -17.175 10.529 1.00 12.11 H new ATOM 0 HE3 LYS A 14 -2.750 -18.271 9.316 1.00 12.11 H new ATOM 0 HZ1 LYS A 14 -3.995 -19.449 10.999 1.00 1.12 H new ATOM 0 HZ2 LYS A 14 -2.365 -19.920 11.046 1.00 1.12 H new ATOM 0 HZ3 LYS A 14 -2.975 -18.857 12.221 1.00 1.12 H new ATOM 207 N PHE A 15 2.153 -14.780 7.382 1.00 71.23 N ATOM 208 CA PHE A 15 2.324 -13.829 6.304 1.00 3.41 C ATOM 209 C PHE A 15 2.993 -14.505 5.111 1.00 63.11 C ATOM 210 O PHE A 15 2.474 -14.423 3.998 1.00 54.14 O ATOM 211 CB PHE A 15 3.122 -12.632 6.842 1.00 21.32 C ATOM 212 CG PHE A 15 2.424 -11.969 8.011 1.00 24.23 C ATOM 213 CD1 PHE A 15 1.177 -11.343 7.832 1.00 34.34 C ATOM 214 CD2 PHE A 15 2.976 -12.066 9.297 1.00 42.23 C ATOM 215 CE1 PHE A 15 0.468 -10.844 8.936 1.00 32.55 C ATOM 216 CE2 PHE A 15 2.255 -11.582 10.403 1.00 62.12 C ATOM 217 CZ PHE A 15 1.001 -10.975 10.227 1.00 15.02 C ATOM 0 H PHE A 15 2.878 -14.708 8.096 1.00 71.23 H new ATOM 0 HA PHE A 15 1.362 -13.462 5.946 1.00 3.41 H new ATOM 0 HB2 PHE A 15 4.112 -12.965 7.152 1.00 21.32 H new ATOM 0 HB3 PHE A 15 3.266 -11.903 6.044 1.00 21.32 H new ATOM 0 HD1 PHE A 15 0.763 -11.246 6.839 1.00 34.34 H new ATOM 0 HD2 PHE A 15 3.950 -12.510 9.437 1.00 42.23 H new ATOM 0 HE1 PHE A 15 -0.487 -10.360 8.792 1.00 32.55 H new ATOM 0 HE2 PHE A 15 2.669 -11.678 11.396 1.00 62.12 H new ATOM 0 HZ PHE A 15 0.450 -10.611 11.081 1.00 15.02 H new ATOM 226 N ALA A 16 4.120 -15.190 5.326 1.00 74.31 N ATOM 227 CA ALA A 16 4.883 -15.828 4.257 1.00 63.13 C ATOM 228 C ALA A 16 4.029 -16.816 3.446 1.00 31.31 C ATOM 229 O ALA A 16 4.134 -16.869 2.223 1.00 41.01 O ATOM 230 CB ALA A 16 6.105 -16.521 4.861 1.00 33.32 C ATOM 0 H ALA A 16 4.528 -15.316 6.252 1.00 74.31 H new ATOM 0 HA ALA A 16 5.209 -15.059 3.557 1.00 63.13 H new ATOM 0 HB1 ALA A 16 6.680 -17.000 4.069 1.00 33.32 H new ATOM 0 HB2 ALA A 16 6.728 -15.784 5.367 1.00 33.32 H new ATOM 0 HB3 ALA A 16 5.779 -17.274 5.578 1.00 33.32 H new ATOM 236 N HIS A 17 3.146 -17.568 4.103 1.00 52.44 N ATOM 237 CA HIS A 17 2.261 -18.551 3.488 1.00 44.14 C ATOM 238 C HIS A 17 1.014 -17.923 2.833 1.00 54.24 C ATOM 239 O HIS A 17 0.100 -18.675 2.469 1.00 1.41 O ATOM 240 CB HIS A 17 1.919 -19.642 4.517 1.00 13.34 C ATOM 241 CG HIS A 17 3.073 -20.586 4.760 1.00 72.24 C ATOM 242 ND1 HIS A 17 3.229 -21.823 4.181 1.00 74.44 N ATOM 243 CD2 HIS A 17 4.187 -20.353 5.519 1.00 4.42 C ATOM 244 CE1 HIS A 17 4.406 -22.323 4.591 1.00 14.23 C ATOM 245 NE2 HIS A 17 5.024 -21.471 5.429 1.00 55.03 N ATOM 0 H HIS A 17 3.025 -17.505 5.114 1.00 52.44 H new ATOM 0 HA HIS A 17 2.791 -19.015 2.656 1.00 44.14 H new ATOM 0 HB2 HIS A 17 1.632 -19.173 5.458 1.00 13.34 H new ATOM 0 HB3 HIS A 17 1.056 -20.209 4.168 1.00 13.34 H new ATOM 0 HD2 HIS A 17 4.387 -19.459 6.090 1.00 4.42 H new ATOM 0 HE1 HIS A 17 4.803 -23.281 4.289 1.00 14.23 H new ATOM 0 HE2 HIS A 17 5.917 -21.611 5.901 1.00 55.03 H new ATOM 252 N ASP A 18 1.000 -16.600 2.632 1.00 21.24 N ATOM 253 CA ASP A 18 -0.017 -15.780 1.969 1.00 41.34 C ATOM 254 C ASP A 18 -1.305 -15.658 2.802 1.00 52.44 C ATOM 255 O ASP A 18 -1.373 -16.079 3.958 1.00 34.24 O ATOM 256 CB ASP A 18 -0.332 -16.231 0.525 1.00 63.24 C ATOM 257 CG ASP A 18 0.768 -16.060 -0.521 1.00 12.31 C ATOM 258 OD1 ASP A 18 1.363 -14.964 -0.626 1.00 62.52 O ATOM 259 OD2 ASP A 18 0.840 -16.916 -1.433 1.00 33.24 O ATOM 0 H ASP A 18 1.774 -16.024 2.961 1.00 21.24 H new ATOM 0 HA ASP A 18 0.428 -14.788 1.893 1.00 41.34 H new ATOM 0 HB2 ASP A 18 -0.608 -17.285 0.554 1.00 63.24 H new ATOM 0 HB3 ASP A 18 -1.209 -15.681 0.184 1.00 63.24 H new ATOM 263 N ALA A 19 -2.329 -15.029 2.204 1.00 15.02 N ATOM 264 CA ALA A 19 -3.615 -14.624 2.757 1.00 60.22 C ATOM 265 C ALA A 19 -3.415 -13.502 3.764 1.00 61.50 C ATOM 266 O ALA A 19 -3.728 -12.360 3.448 1.00 14.21 O ATOM 267 CB ALA A 19 -4.423 -15.812 3.294 1.00 15.21 C ATOM 0 H ALA A 19 -2.261 -14.768 1.220 1.00 15.02 H new ATOM 0 HA ALA A 19 -4.234 -14.224 1.953 1.00 60.22 H new ATOM 0 HB1 ALA A 19 -5.372 -15.455 3.694 1.00 15.21 H new ATOM 0 HB2 ALA A 19 -4.613 -16.518 2.486 1.00 15.21 H new ATOM 0 HB3 ALA A 19 -3.859 -16.308 4.084 1.00 15.21 H new ATOM 273 N GLU A 20 -2.818 -13.793 4.918 1.00 11.41 N ATOM 274 CA GLU A 20 -2.656 -12.817 5.989 1.00 71.41 C ATOM 275 C GLU A 20 -1.866 -11.610 5.492 1.00 64.51 C ATOM 276 O GLU A 20 -2.205 -10.458 5.763 1.00 54.24 O ATOM 277 CB GLU A 20 -1.934 -13.471 7.179 1.00 51.32 C ATOM 278 CG GLU A 20 -2.379 -12.852 8.506 1.00 44.13 C ATOM 279 CD GLU A 20 -3.866 -13.070 8.776 1.00 4.01 C ATOM 280 OE1 GLU A 20 -4.406 -14.135 8.393 1.00 71.13 O ATOM 281 OE2 GLU A 20 -4.487 -12.166 9.384 1.00 22.51 O ATOM 0 H GLU A 20 -2.434 -14.713 5.135 1.00 11.41 H new ATOM 0 HA GLU A 20 -3.640 -12.476 6.311 1.00 71.41 H new ATOM 0 HB2 GLU A 20 -2.138 -14.542 7.188 1.00 51.32 H new ATOM 0 HB3 GLU A 20 -0.857 -13.353 7.063 1.00 51.32 H new ATOM 0 HG2 GLU A 20 -1.797 -13.285 9.320 1.00 44.13 H new ATOM 0 HG3 GLU A 20 -2.167 -11.783 8.495 1.00 44.13 H new ATOM 286 N LEU A 21 -0.816 -11.880 4.712 1.00 51.32 N ATOM 287 CA LEU A 21 0.025 -10.835 4.156 1.00 71.10 C ATOM 288 C LEU A 21 -0.738 -10.016 3.130 1.00 71.30 C ATOM 289 O LEU A 21 -0.516 -8.815 3.033 1.00 75.40 O ATOM 290 CB LEU A 21 1.268 -11.493 3.572 1.00 63.54 C ATOM 291 CG LEU A 21 2.255 -10.514 2.919 1.00 74.53 C ATOM 292 CD1 LEU A 21 3.680 -10.994 3.180 1.00 72.13 C ATOM 293 CD2 LEU A 21 2.040 -10.489 1.410 1.00 35.35 C ATOM 0 H LEU A 21 -0.532 -12.825 4.454 1.00 51.32 H new ATOM 0 HA LEU A 21 0.330 -10.133 4.932 1.00 71.10 H new ATOM 0 HB2 LEU A 21 1.784 -12.036 4.364 1.00 63.54 H new ATOM 0 HB3 LEU A 21 0.960 -12.229 2.830 1.00 63.54 H new ATOM 0 HG LEU A 21 2.096 -9.520 3.337 1.00 74.53 H new ATOM 0 HD11 LEU A 21 4.387 -10.304 2.719 1.00 72.13 H new ATOM 0 HD12 LEU A 21 3.860 -11.034 4.254 1.00 72.13 H new ATOM 0 HD13 LEU A 21 3.813 -11.988 2.753 1.00 72.13 H new ATOM 0 HD21 LEU A 21 2.743 -9.793 0.954 1.00 35.35 H new ATOM 0 HD22 LEU A 21 2.202 -11.487 1.003 1.00 35.35 H new ATOM 0 HD23 LEU A 21 1.021 -10.169 1.193 1.00 35.35 H new ATOM 304 N ASN A 22 -1.661 -10.629 2.384 1.00 22.24 N ATOM 305 CA ASN A 22 -2.415 -9.907 1.369 1.00 14.41 C ATOM 306 C ASN A 22 -3.372 -8.907 2.016 1.00 21.51 C ATOM 307 O ASN A 22 -3.697 -7.906 1.373 1.00 15.02 O ATOM 308 CB ASN A 22 -3.179 -10.850 0.421 1.00 52.13 C ATOM 309 CG ASN A 22 -2.263 -11.656 -0.498 1.00 40.03 C ATOM 310 OD1 ASN A 22 -1.140 -11.269 -0.804 1.00 74.24 O ATOM 311 ND2 ASN A 22 -2.719 -12.812 -0.965 1.00 14.05 N ATOM 0 H ASN A 22 -1.899 -11.617 2.467 1.00 22.24 H new ATOM 0 HA ASN A 22 -1.690 -9.363 0.764 1.00 14.41 H new ATOM 0 HB2 ASN A 22 -3.784 -11.537 1.013 1.00 52.13 H new ATOM 0 HB3 ASN A 22 -3.867 -10.263 -0.187 1.00 52.13 H new ATOM 0 HD21 ASN A 22 -2.135 -13.380 -1.579 1.00 14.05 H new ATOM 0 HD22 ASN A 22 -3.653 -13.132 -0.710 1.00 14.05 H new ATOM 317 N PHE A 23 -3.784 -9.124 3.271 1.00 64.12 N ATOM 318 CA PHE A 23 -4.663 -8.195 3.969 1.00 15.02 C ATOM 319 C PHE A 23 -3.856 -6.989 4.434 1.00 62.10 C ATOM 320 O PHE A 23 -4.274 -5.847 4.262 1.00 54.04 O ATOM 321 CB PHE A 23 -5.306 -8.894 5.178 1.00 3.02 C ATOM 322 CG PHE A 23 -6.040 -10.197 4.898 1.00 64.30 C ATOM 323 CD1 PHE A 23 -6.804 -10.370 3.724 1.00 21.22 C ATOM 324 CD2 PHE A 23 -5.998 -11.235 5.849 1.00 60.40 C ATOM 325 CE1 PHE A 23 -7.494 -11.574 3.496 1.00 61.34 C ATOM 326 CE2 PHE A 23 -6.685 -12.441 5.621 1.00 52.31 C ATOM 327 CZ PHE A 23 -7.432 -12.613 4.442 1.00 1.05 C ATOM 0 H PHE A 23 -3.518 -9.941 3.821 1.00 64.12 H new ATOM 0 HA PHE A 23 -5.451 -7.863 3.293 1.00 15.02 H new ATOM 0 HB2 PHE A 23 -4.525 -9.093 5.912 1.00 3.02 H new ATOM 0 HB3 PHE A 23 -6.008 -8.200 5.640 1.00 3.02 H new ATOM 0 HD1 PHE A 23 -6.859 -9.573 2.997 1.00 21.22 H new ATOM 0 HD2 PHE A 23 -5.434 -11.104 6.761 1.00 60.40 H new ATOM 0 HE1 PHE A 23 -8.073 -11.701 2.593 1.00 61.34 H new ATOM 0 HE2 PHE A 23 -6.639 -13.235 6.352 1.00 52.31 H new ATOM 0 HZ PHE A 23 -7.956 -13.540 4.263 1.00 1.05 H new ATOM 336 N LYS A 24 -2.697 -7.237 5.046 1.00 64.20 N ATOM 337 CA LYS A 24 -1.863 -6.188 5.622 1.00 4.41 C ATOM 338 C LYS A 24 -1.203 -5.363 4.518 1.00 41.40 C ATOM 339 O LYS A 24 -1.200 -4.133 4.566 1.00 75.53 O ATOM 340 CB LYS A 24 -0.810 -6.833 6.537 1.00 54.13 C ATOM 341 CG LYS A 24 -1.411 -7.663 7.687 1.00 31.45 C ATOM 342 CD LYS A 24 -2.029 -6.799 8.796 1.00 11.04 C ATOM 343 CE LYS A 24 -2.459 -7.678 9.979 1.00 41.01 C ATOM 344 NZ LYS A 24 -3.202 -6.929 11.019 1.00 71.22 N ATOM 0 H LYS A 24 -2.312 -8.175 5.155 1.00 64.20 H new ATOM 0 HA LYS A 24 -2.480 -5.511 6.212 1.00 4.41 H new ATOM 0 HB2 LYS A 24 -0.165 -7.475 5.937 1.00 54.13 H new ATOM 0 HB3 LYS A 24 -0.179 -6.050 6.958 1.00 54.13 H new ATOM 0 HG2 LYS A 24 -2.175 -8.329 7.286 1.00 31.45 H new ATOM 0 HG3 LYS A 24 -0.633 -8.293 8.117 1.00 31.45 H new ATOM 0 HD2 LYS A 24 -1.307 -6.054 9.131 1.00 11.04 H new ATOM 0 HD3 LYS A 24 -2.890 -6.256 8.406 1.00 11.04 H new ATOM 0 HE2 LYS A 24 -3.083 -8.493 9.611 1.00 41.01 H new ATOM 0 HE3 LYS A 24 -1.575 -8.131 10.428 1.00 41.01 H new ATOM 0 HZ1 LYS A 24 -3.465 -7.575 11.791 1.00 71.22 H new ATOM 0 HZ2 LYS A 24 -2.601 -6.168 11.394 1.00 71.22 H new ATOM 0 HZ3 LYS A 24 -4.062 -6.518 10.603 1.00 71.22 H new ATOM 354 N ALA A 25 -0.638 -6.034 3.513 1.00 55.02 N ATOM 355 CA ALA A 25 0.155 -5.399 2.477 1.00 60.54 C ATOM 356 C ALA A 25 -0.666 -4.414 1.653 1.00 2.35 C ATOM 357 O ALA A 25 -0.090 -3.438 1.188 1.00 64.30 O ATOM 358 CB ALA A 25 0.828 -6.458 1.599 1.00 52.04 C ATOM 0 H ALA A 25 -0.723 -7.044 3.401 1.00 55.02 H new ATOM 0 HA ALA A 25 0.937 -4.814 2.961 1.00 60.54 H new ATOM 0 HB1 ALA A 25 1.420 -5.967 0.826 1.00 52.04 H new ATOM 0 HB2 ALA A 25 1.478 -7.080 2.214 1.00 52.04 H new ATOM 0 HB3 ALA A 25 0.066 -7.081 1.132 1.00 52.04 H new ATOM 364 N GLU A 26 -1.981 -4.601 1.480 1.00 2.05 N ATOM 365 CA GLU A 26 -2.832 -3.655 0.746 1.00 22.45 C ATOM 366 C GLU A 26 -2.713 -2.255 1.365 1.00 20.55 C ATOM 367 O GLU A 26 -2.365 -1.268 0.714 1.00 4.11 O ATOM 368 CB GLU A 26 -4.274 -4.206 0.649 1.00 11.13 C ATOM 369 CG GLU A 26 -5.317 -3.821 1.718 1.00 41.42 C ATOM 370 CD GLU A 26 -5.951 -2.432 1.531 1.00 23.12 C ATOM 371 OE1 GLU A 26 -6.249 -2.057 0.373 1.00 34.23 O ATOM 372 OE2 GLU A 26 -6.207 -1.745 2.548 1.00 53.24 O ATOM 0 H GLU A 26 -2.484 -5.410 1.844 1.00 2.05 H new ATOM 0 HA GLU A 26 -2.494 -3.547 -0.285 1.00 22.45 H new ATOM 0 HB2 GLU A 26 -4.673 -3.902 -0.319 1.00 11.13 H new ATOM 0 HB3 GLU A 26 -4.206 -5.294 0.638 1.00 11.13 H new ATOM 0 HG2 GLU A 26 -6.109 -4.569 1.718 1.00 41.42 H new ATOM 0 HG3 GLU A 26 -4.842 -3.859 2.699 1.00 41.42 H new ATOM 377 N ALA A 27 -2.851 -2.218 2.682 1.00 21.53 N ATOM 378 CA ALA A 27 -2.898 -1.041 3.531 1.00 73.40 C ATOM 379 C ALA A 27 -1.512 -0.456 3.809 1.00 23.33 C ATOM 380 O ALA A 27 -1.347 0.425 4.652 1.00 72.51 O ATOM 381 CB ALA A 27 -3.570 -1.459 4.827 1.00 12.23 C ATOM 0 H ALA A 27 -2.940 -3.077 3.225 1.00 21.53 H new ATOM 0 HA ALA A 27 -3.454 -0.252 3.026 1.00 73.40 H new ATOM 0 HB1 ALA A 27 -3.628 -0.603 5.499 1.00 12.23 H new ATOM 0 HB2 ALA A 27 -4.576 -1.822 4.615 1.00 12.23 H new ATOM 0 HB3 ALA A 27 -2.990 -2.252 5.298 1.00 12.23 H new ATOM 387 N ARG A 28 -0.489 -0.962 3.124 1.00 1.31 N ATOM 388 CA ARG A 28 0.894 -0.534 3.231 1.00 11.03 C ATOM 389 C ARG A 28 1.368 -0.140 1.850 1.00 21.53 C ATOM 390 O ARG A 28 1.707 1.020 1.638 1.00 71.22 O ATOM 391 CB ARG A 28 1.731 -1.649 3.876 1.00 51.43 C ATOM 392 CG ARG A 28 1.449 -1.826 5.374 1.00 35.55 C ATOM 393 CD ARG A 28 1.861 -0.611 6.201 1.00 71.30 C ATOM 394 NE ARG A 28 0.692 0.163 6.653 1.00 2.12 N ATOM 395 CZ ARG A 28 0.537 0.673 7.872 1.00 41.41 C ATOM 396 NH1 ARG A 28 1.505 0.589 8.776 1.00 75.33 N ATOM 397 NH2 ARG A 28 -0.579 1.325 8.185 1.00 12.43 N ATOM 0 H ARG A 28 -0.613 -1.717 2.449 1.00 1.31 H new ATOM 0 HA ARG A 28 1.002 0.335 3.880 1.00 11.03 H new ATOM 0 HB2 ARG A 28 1.531 -2.589 3.362 1.00 51.43 H new ATOM 0 HB3 ARG A 28 2.789 -1.428 3.736 1.00 51.43 H new ATOM 0 HG2 ARG A 28 0.385 -2.015 5.519 1.00 35.55 H new ATOM 0 HG3 ARG A 28 1.981 -2.705 5.738 1.00 35.55 H new ATOM 0 HD2 ARG A 28 2.437 -0.938 7.066 1.00 71.30 H new ATOM 0 HD3 ARG A 28 2.514 0.029 5.607 1.00 71.30 H new ATOM 0 HE ARG A 28 -0.057 0.320 5.979 1.00 2.12 H new ATOM 0 HH11 ARG A 28 2.384 0.128 8.541 1.00 75.33 H new ATOM 0 HH12 ARG A 28 1.370 0.985 9.706 1.00 75.33 H new ATOM 0 HH21 ARG A 28 -1.318 1.435 7.490 1.00 12.43 H new ATOM 0 HH22 ARG A 28 -0.696 1.715 9.120 1.00 12.43 H new ATOM 408 N ARG A 29 1.285 -1.055 0.882 1.00 34.55 N ATOM 409 CA ARG A 29 1.631 -0.829 -0.518 1.00 42.43 C ATOM 410 C ARG A 29 0.942 0.426 -1.047 1.00 20.53 C ATOM 411 O ARG A 29 1.589 1.263 -1.674 1.00 75.21 O ATOM 412 CB ARG A 29 1.367 -2.120 -1.337 1.00 22.44 C ATOM 413 CG ARG A 29 -0.081 -2.422 -1.754 1.00 71.34 C ATOM 414 CD ARG A 29 -0.398 -3.900 -2.055 1.00 41.01 C ATOM 415 NE ARG A 29 0.671 -4.676 -2.713 1.00 44.32 N ATOM 416 CZ ARG A 29 0.504 -5.898 -3.242 1.00 40.44 C ATOM 417 NH1 ARG A 29 -0.699 -6.471 -3.297 1.00 14.35 N ATOM 418 NH2 ARG A 29 1.559 -6.533 -3.738 1.00 43.23 N ATOM 0 H ARG A 29 0.963 -2.006 1.060 1.00 34.55 H new ATOM 0 HA ARG A 29 2.697 -0.625 -0.623 1.00 42.43 H new ATOM 0 HB2 ARG A 29 1.973 -2.072 -2.242 1.00 22.44 H new ATOM 0 HB3 ARG A 29 1.731 -2.966 -0.754 1.00 22.44 H new ATOM 0 HG2 ARG A 29 -0.746 -2.082 -0.960 1.00 71.34 H new ATOM 0 HG3 ARG A 29 -0.314 -1.832 -2.640 1.00 71.34 H new ATOM 0 HD2 ARG A 29 -0.652 -4.394 -1.117 1.00 41.01 H new ATOM 0 HD3 ARG A 29 -1.286 -3.938 -2.685 1.00 41.01 H new ATOM 0 HE ARG A 29 1.599 -4.256 -2.769 1.00 44.32 H new ATOM 0 HH11 ARG A 29 -1.515 -5.980 -2.933 1.00 14.35 H new ATOM 0 HH12 ARG A 29 -0.803 -7.401 -3.703 1.00 14.35 H new ATOM 0 HH21 ARG A 29 2.478 -6.091 -3.713 1.00 43.23 H new ATOM 0 HH22 ARG A 29 1.450 -7.462 -4.144 1.00 43.23 H new ATOM 429 N ASN A 30 -0.344 0.597 -0.740 1.00 54.33 N ATOM 430 CA ASN A 30 -1.107 1.753 -1.186 1.00 74.31 C ATOM 431 C ASN A 30 -0.833 2.978 -0.314 1.00 12.02 C ATOM 432 O ASN A 30 -0.740 4.098 -0.816 1.00 34.53 O ATOM 433 CB ASN A 30 -2.604 1.448 -1.142 1.00 54.30 C ATOM 434 CG ASN A 30 -3.052 0.261 -1.990 1.00 52.12 C ATOM 435 OD1 ASN A 30 -2.318 -0.261 -2.823 1.00 72.20 O ATOM 436 ND2 ASN A 30 -4.273 -0.183 -1.772 1.00 44.11 N ATOM 0 H ASN A 30 -0.881 -0.062 -0.177 1.00 54.33 H new ATOM 0 HA ASN A 30 -0.796 1.970 -2.208 1.00 74.31 H new ATOM 0 HB2 ASN A 30 -2.890 1.263 -0.107 1.00 54.30 H new ATOM 0 HB3 ASN A 30 -3.148 2.334 -1.469 1.00 54.30 H new ATOM 0 HD21 ASN A 30 -4.628 -0.979 -2.302 1.00 44.11 H new ATOM 0 HD22 ASN A 30 -4.863 0.269 -1.073 1.00 44.11 H new ATOM 442 N ARG A 31 -0.726 2.781 1.007 1.00 23.11 N ATOM 443 CA ARG A 31 -0.534 3.842 2.003 1.00 22.22 C ATOM 444 C ARG A 31 0.770 4.595 1.746 1.00 12.03 C ATOM 445 O ARG A 31 0.759 5.822 1.693 1.00 12.31 O ATOM 446 CB ARG A 31 -0.632 3.213 3.409 1.00 72.43 C ATOM 447 CG ARG A 31 -0.326 4.111 4.625 1.00 3.02 C ATOM 448 CD ARG A 31 1.174 4.130 4.987 1.00 61.32 C ATOM 449 NE ARG A 31 1.463 3.662 6.361 1.00 73.32 N ATOM 450 CZ ARG A 31 1.371 4.375 7.496 1.00 40.41 C ATOM 451 NH1 ARG A 31 0.974 5.640 7.475 1.00 35.55 N ATOM 452 NH2 ARG A 31 1.683 3.815 8.661 1.00 55.43 N ATOM 0 H ARG A 31 -0.772 1.851 1.424 1.00 23.11 H new ATOM 0 HA ARG A 31 -1.316 4.598 1.927 1.00 22.22 H new ATOM 0 HB2 ARG A 31 -1.641 2.820 3.530 1.00 72.43 H new ATOM 0 HB3 ARG A 31 0.048 2.362 3.443 1.00 72.43 H new ATOM 0 HG2 ARG A 31 -0.658 5.128 4.414 1.00 3.02 H new ATOM 0 HG3 ARG A 31 -0.899 3.761 5.484 1.00 3.02 H new ATOM 0 HD2 ARG A 31 1.717 3.505 4.278 1.00 61.32 H new ATOM 0 HD3 ARG A 31 1.553 5.145 4.872 1.00 61.32 H new ATOM 0 HE ARG A 31 1.765 2.692 6.457 1.00 73.32 H new ATOM 0 HH11 ARG A 31 0.734 6.084 6.589 1.00 35.55 H new ATOM 0 HH12 ARG A 31 0.909 6.169 8.345 1.00 35.55 H new ATOM 0 HH21 ARG A 31 1.992 2.844 8.693 1.00 55.43 H new ATOM 0 HH22 ARG A 31 1.613 4.357 9.522 1.00 55.43 H new ATOM 463 N LEU A 32 1.875 3.875 1.527 1.00 75.54 N ATOM 464 CA LEU A 32 3.178 4.452 1.196 1.00 53.32 C ATOM 465 C LEU A 32 3.094 5.307 -0.082 1.00 23.35 C ATOM 466 O LEU A 32 3.810 6.305 -0.202 1.00 55.30 O ATOM 467 CB LEU A 32 4.229 3.329 1.020 1.00 23.24 C ATOM 468 CG LEU A 32 5.088 2.971 2.252 1.00 20.52 C ATOM 469 CD1 LEU A 32 4.354 2.367 3.447 1.00 51.04 C ATOM 470 CD2 LEU A 32 6.144 1.938 1.857 1.00 40.33 C ATOM 0 H LEU A 32 1.887 2.856 1.576 1.00 75.54 H new ATOM 0 HA LEU A 32 3.483 5.099 2.018 1.00 53.32 H new ATOM 0 HB2 LEU A 32 3.710 2.427 0.696 1.00 23.24 H new ATOM 0 HB3 LEU A 32 4.901 3.618 0.212 1.00 23.24 H new ATOM 0 HG LEU A 32 5.486 3.936 2.567 1.00 20.52 H new ATOM 0 HD11 LEU A 32 5.067 2.161 4.245 1.00 51.04 H new ATOM 0 HD12 LEU A 32 3.602 3.070 3.805 1.00 51.04 H new ATOM 0 HD13 LEU A 32 3.869 1.439 3.145 1.00 51.04 H new ATOM 0 HD21 LEU A 32 6.750 1.686 2.727 1.00 40.33 H new ATOM 0 HD22 LEU A 32 5.652 1.039 1.485 1.00 40.33 H new ATOM 0 HD23 LEU A 32 6.784 2.351 1.077 1.00 40.33 H new ATOM 481 N LEU A 33 2.260 4.915 -1.053 1.00 21.34 N ATOM 482 CA LEU A 33 2.027 5.662 -2.292 1.00 23.52 C ATOM 483 C LEU A 33 1.149 6.904 -2.040 1.00 54.12 C ATOM 484 O LEU A 33 1.406 7.961 -2.603 1.00 52.43 O ATOM 485 CB LEU A 33 1.387 4.719 -3.337 1.00 53.12 C ATOM 486 CG LEU A 33 1.889 4.924 -4.781 1.00 34.55 C ATOM 487 CD1 LEU A 33 3.357 4.511 -4.945 1.00 2.11 C ATOM 488 CD2 LEU A 33 1.101 4.024 -5.730 1.00 31.32 C ATOM 0 H LEU A 33 1.718 4.053 -0.997 1.00 21.34 H new ATOM 0 HA LEU A 33 2.980 6.025 -2.677 1.00 23.52 H new ATOM 0 HB2 LEU A 33 1.580 3.687 -3.042 1.00 53.12 H new ATOM 0 HB3 LEU A 33 0.306 4.859 -3.319 1.00 53.12 H new ATOM 0 HG LEU A 33 1.765 5.984 -5.003 1.00 34.55 H new ATOM 0 HD11 LEU A 33 3.667 4.673 -5.977 1.00 2.11 H new ATOM 0 HD12 LEU A 33 3.980 5.110 -4.281 1.00 2.11 H new ATOM 0 HD13 LEU A 33 3.469 3.456 -4.693 1.00 2.11 H new ATOM 0 HD21 LEU A 33 1.457 4.170 -6.750 1.00 31.32 H new ATOM 0 HD22 LEU A 33 1.241 2.982 -5.443 1.00 31.32 H new ATOM 0 HD23 LEU A 33 0.042 4.277 -5.676 1.00 31.32 H new ATOM 499 N GLY A 34 0.139 6.814 -1.167 1.00 62.22 N ATOM 500 CA GLY A 34 -0.797 7.907 -0.893 1.00 15.31 C ATOM 501 C GLY A 34 -0.124 9.074 -0.176 1.00 55.03 C ATOM 502 O GLY A 34 -0.255 10.223 -0.597 1.00 23.54 O ATOM 0 H GLY A 34 -0.052 5.971 -0.626 1.00 62.22 H new ATOM 0 HA2 GLY A 34 -1.228 8.258 -1.831 1.00 15.31 H new ATOM 0 HA3 GLY A 34 -1.620 7.534 -0.284 1.00 15.31 H new ATOM 506 N GLU A 35 0.595 8.797 0.915 1.00 22.52 N ATOM 507 CA GLU A 35 1.209 9.854 1.721 1.00 0.05 C ATOM 508 C GLU A 35 2.313 10.579 0.936 1.00 41.41 C ATOM 509 O GLU A 35 2.512 11.784 1.123 1.00 73.23 O ATOM 510 CB GLU A 35 1.727 9.290 3.055 1.00 40.21 C ATOM 511 CG GLU A 35 0.571 8.742 3.909 1.00 32.53 C ATOM 512 CD GLU A 35 1.000 8.380 5.332 1.00 42.33 C ATOM 513 OE1 GLU A 35 1.705 7.368 5.506 1.00 54.34 O ATOM 514 OE2 GLU A 35 0.564 9.046 6.304 1.00 64.42 O ATOM 0 H GLU A 35 0.766 7.852 1.259 1.00 22.52 H new ATOM 0 HA GLU A 35 0.445 10.595 1.954 1.00 0.05 H new ATOM 0 HB2 GLU A 35 2.449 8.497 2.862 1.00 40.21 H new ATOM 0 HB3 GLU A 35 2.251 10.071 3.605 1.00 40.21 H new ATOM 0 HG2 GLU A 35 -0.225 9.485 3.953 1.00 32.53 H new ATOM 0 HG3 GLU A 35 0.156 7.858 3.425 1.00 32.53 H new ATOM 519 N TRP A 36 2.969 9.867 0.012 1.00 64.12 N ATOM 520 CA TRP A 36 3.903 10.428 -0.958 1.00 74.21 C ATOM 521 C TRP A 36 3.210 11.491 -1.806 1.00 51.23 C ATOM 522 O TRP A 36 3.608 12.650 -1.772 1.00 43.22 O ATOM 523 CB TRP A 36 4.469 9.298 -1.828 1.00 55.42 C ATOM 524 CG TRP A 36 5.182 9.711 -3.078 1.00 60.42 C ATOM 525 CD1 TRP A 36 6.342 10.399 -3.142 1.00 11.45 C ATOM 526 CD2 TRP A 36 4.758 9.523 -4.464 1.00 4.21 C ATOM 527 NE1 TRP A 36 6.693 10.600 -4.461 1.00 73.24 N ATOM 528 CE2 TRP A 36 5.753 10.080 -5.321 1.00 74.12 C ATOM 529 CE3 TRP A 36 3.626 8.956 -5.089 1.00 22.11 C ATOM 530 CZ2 TRP A 36 5.644 10.052 -6.720 1.00 0.01 C ATOM 531 CZ3 TRP A 36 3.517 8.912 -6.488 1.00 72.22 C ATOM 532 CH2 TRP A 36 4.520 9.457 -7.303 1.00 13.31 C ATOM 0 H TRP A 36 2.858 8.857 -0.080 1.00 64.12 H new ATOM 0 HA TRP A 36 4.729 10.912 -0.437 1.00 74.21 H new ATOM 0 HB2 TRP A 36 5.158 8.712 -1.220 1.00 55.42 H new ATOM 0 HB3 TRP A 36 3.648 8.637 -2.106 1.00 55.42 H new ATOM 0 HD1 TRP A 36 6.910 10.741 -2.289 1.00 11.45 H new ATOM 0 HE1 TRP A 36 7.544 11.075 -4.762 1.00 73.24 H new ATOM 0 HE3 TRP A 36 2.831 8.550 -4.481 1.00 22.11 H new ATOM 0 HZ2 TRP A 36 6.417 10.484 -7.338 1.00 0.01 H new ATOM 0 HZ3 TRP A 36 2.651 8.453 -6.942 1.00 72.22 H new ATOM 0 HH2 TRP A 36 4.425 9.417 -8.378 1.00 13.31 H new ATOM 542 N ALA A 37 2.161 11.118 -2.546 1.00 63.44 N ATOM 543 CA ALA A 37 1.463 12.032 -3.439 1.00 2.02 C ATOM 544 C ALA A 37 0.941 13.277 -2.705 1.00 64.24 C ATOM 545 O ALA A 37 1.079 14.390 -3.213 1.00 75.14 O ATOM 546 CB ALA A 37 0.334 11.256 -4.114 1.00 33.31 C ATOM 0 H ALA A 37 1.776 10.173 -2.539 1.00 63.44 H new ATOM 0 HA ALA A 37 2.157 12.409 -4.190 1.00 2.02 H new ATOM 0 HB1 ALA A 37 -0.208 11.917 -4.791 1.00 33.31 H new ATOM 0 HB2 ALA A 37 0.752 10.422 -4.678 1.00 33.31 H new ATOM 0 HB3 ALA A 37 -0.349 10.874 -3.355 1.00 33.31 H new ATOM 552 N ALA A 38 0.415 13.135 -1.486 1.00 72.13 N ATOM 553 CA ALA A 38 0.033 14.279 -0.658 1.00 51.34 C ATOM 554 C ALA A 38 1.207 15.262 -0.461 1.00 74.33 C ATOM 555 O ALA A 38 1.013 16.480 -0.529 1.00 43.03 O ATOM 556 CB ALA A 38 -0.506 13.763 0.677 1.00 43.22 C ATOM 0 H ALA A 38 0.243 12.230 -1.048 1.00 72.13 H new ATOM 0 HA ALA A 38 -0.749 14.843 -1.166 1.00 51.34 H new ATOM 0 HB1 ALA A 38 -0.794 14.607 1.304 1.00 43.22 H new ATOM 0 HB2 ALA A 38 -1.375 13.130 0.498 1.00 43.22 H new ATOM 0 HB3 ALA A 38 0.267 13.184 1.182 1.00 43.22 H new ATOM 562 N GLY A 39 2.425 14.736 -0.276 1.00 1.14 N ATOM 563 CA GLY A 39 3.678 15.485 -0.162 1.00 61.34 C ATOM 564 C GLY A 39 4.104 16.203 -1.438 1.00 32.13 C ATOM 565 O GLY A 39 4.912 17.130 -1.384 1.00 34.24 O ATOM 0 H GLY A 39 2.567 13.729 -0.198 1.00 1.14 H new ATOM 0 HA2 GLY A 39 3.576 16.220 0.637 1.00 61.34 H new ATOM 0 HA3 GLY A 39 4.471 14.799 0.136 1.00 61.34 H new ATOM 569 N LEU A 40 3.558 15.809 -2.586 1.00 3.45 N ATOM 570 CA LEU A 40 3.868 16.389 -3.884 1.00 63.13 C ATOM 571 C LEU A 40 2.868 17.475 -4.257 1.00 22.53 C ATOM 572 O LEU A 40 3.232 18.453 -4.907 1.00 23.15 O ATOM 573 CB LEU A 40 3.815 15.281 -4.933 1.00 74.24 C ATOM 574 CG LEU A 40 4.911 14.222 -4.785 1.00 44.30 C ATOM 575 CD1 LEU A 40 4.662 13.182 -5.878 1.00 55.20 C ATOM 576 CD2 LEU A 40 6.311 14.802 -4.982 1.00 3.34 C ATOM 0 H LEU A 40 2.870 15.058 -2.637 1.00 3.45 H new ATOM 0 HA LEU A 40 4.860 16.840 -3.840 1.00 63.13 H new ATOM 0 HB2 LEU A 40 2.843 14.791 -4.879 1.00 74.24 H new ATOM 0 HB3 LEU A 40 3.891 15.730 -5.923 1.00 74.24 H new ATOM 0 HG LEU A 40 4.871 13.804 -3.779 1.00 44.30 H new ATOM 0 HD11 LEU A 40 5.420 12.401 -5.816 1.00 55.20 H new ATOM 0 HD12 LEU A 40 3.674 12.741 -5.743 1.00 55.20 H new ATOM 0 HD13 LEU A 40 4.714 13.662 -6.855 1.00 55.20 H new ATOM 0 HD21 LEU A 40 7.052 14.011 -4.867 1.00 3.34 H new ATOM 0 HD22 LEU A 40 6.390 15.231 -5.981 1.00 3.34 H new ATOM 0 HD23 LEU A 40 6.491 15.579 -4.239 1.00 3.34 H new ATOM 587 N LEU A 41 1.613 17.334 -3.839 1.00 63.23 N ATOM 588 CA LEU A 41 0.556 18.312 -4.096 1.00 15.25 C ATOM 589 C LEU A 41 0.646 19.508 -3.145 1.00 75.54 C ATOM 590 O LEU A 41 -0.060 20.498 -3.346 1.00 52.13 O ATOM 591 CB LEU A 41 -0.801 17.639 -3.892 1.00 44.01 C ATOM 592 CG LEU A 41 -1.083 16.502 -4.885 1.00 23.25 C ATOM 593 CD1 LEU A 41 -1.924 15.429 -4.214 1.00 64.40 C ATOM 594 CD2 LEU A 41 -1.817 16.974 -6.140 1.00 15.01 C ATOM 0 H LEU A 41 1.295 16.526 -3.304 1.00 63.23 H new ATOM 0 HA LEU A 41 0.673 18.672 -5.118 1.00 15.25 H new ATOM 0 HB2 LEU A 41 -0.852 17.244 -2.877 1.00 44.01 H new ATOM 0 HB3 LEU A 41 -1.586 18.390 -3.981 1.00 44.01 H new ATOM 0 HG LEU A 41 -0.113 16.110 -5.190 1.00 23.25 H new ATOM 0 HD11 LEU A 41 -2.121 14.625 -4.923 1.00 64.40 H new ATOM 0 HD12 LEU A 41 -1.386 15.031 -3.354 1.00 64.40 H new ATOM 0 HD13 LEU A 41 -2.869 15.861 -3.883 1.00 64.40 H new ATOM 0 HD21 LEU A 41 -1.987 16.125 -6.803 1.00 15.01 H new ATOM 0 HD22 LEU A 41 -2.774 17.412 -5.858 1.00 15.01 H new ATOM 0 HD23 LEU A 41 -1.213 17.721 -6.655 1.00 15.01 H new ATOM 605 N GLY A 42 1.444 19.406 -2.079 1.00 34.32 N ATOM 606 CA GLY A 42 1.376 20.333 -0.962 1.00 54.32 C ATOM 607 C GLY A 42 -0.001 20.249 -0.306 1.00 63.42 C ATOM 608 O GLY A 42 -0.701 21.251 -0.180 1.00 20.23 O ATOM 0 H GLY A 42 2.151 18.679 -1.972 1.00 34.32 H new ATOM 0 HA2 GLY A 42 2.152 20.097 -0.233 1.00 54.32 H new ATOM 0 HA3 GLY A 42 1.563 21.349 -1.309 1.00 54.32 H new ATOM 612 N LYS A 43 -0.451 19.049 0.068 1.00 54.43 N ATOM 613 CA LYS A 43 -1.529 18.935 1.050 1.00 12.11 C ATOM 614 C LYS A 43 -0.902 18.970 2.437 1.00 40.34 C ATOM 615 O LYS A 43 0.257 18.576 2.597 1.00 21.13 O ATOM 616 CB LYS A 43 -2.292 17.621 0.877 1.00 54.44 C ATOM 617 CG LYS A 43 -2.960 17.378 -0.478 1.00 55.43 C ATOM 618 CD LYS A 43 -3.935 18.467 -0.955 1.00 54.01 C ATOM 619 CE LYS A 43 -3.323 19.480 -1.935 1.00 75.51 C ATOM 620 NZ LYS A 43 -3.321 20.868 -1.434 1.00 12.21 N ATOM 0 H LYS A 43 -0.095 18.161 -0.286 1.00 54.43 H new ATOM 0 HA LYS A 43 -2.233 19.756 0.913 1.00 12.11 H new ATOM 0 HB2 LYS A 43 -1.600 16.800 1.065 1.00 54.44 H new ATOM 0 HB3 LYS A 43 -3.061 17.572 1.647 1.00 54.44 H new ATOM 0 HG2 LYS A 43 -2.179 17.263 -1.230 1.00 55.43 H new ATOM 0 HG3 LYS A 43 -3.499 16.432 -0.430 1.00 55.43 H new ATOM 0 HD2 LYS A 43 -4.790 17.989 -1.433 1.00 54.01 H new ATOM 0 HD3 LYS A 43 -4.315 19.004 -0.086 1.00 54.01 H new ATOM 0 HE2 LYS A 43 -2.298 19.183 -2.157 1.00 75.51 H new ATOM 0 HE3 LYS A 43 -3.876 19.443 -2.873 1.00 75.51 H new ATOM 0 HZ1 LYS A 43 -3.427 21.526 -2.233 1.00 12.21 H new ATOM 0 HZ2 LYS A 43 -4.111 20.999 -0.771 1.00 12.21 H new ATOM 0 HZ3 LYS A 43 -2.423 21.059 -0.945 1.00 12.21 H new ATOM 630 N THR A 44 -1.670 19.345 3.453 1.00 73.34 N ATOM 631 CA THR A 44 -1.218 19.376 4.845 1.00 12.12 C ATOM 632 C THR A 44 -2.383 19.020 5.780 1.00 31.14 C ATOM 633 O THR A 44 -3.504 18.840 5.305 1.00 2.42 O ATOM 634 CB THR A 44 -0.640 20.769 5.167 1.00 32.24 C ATOM 635 OG1 THR A 44 -1.619 21.787 5.035 1.00 34.51 O ATOM 636 CG2 THR A 44 0.582 21.155 4.323 1.00 51.32 C ATOM 0 H THR A 44 -2.639 19.641 3.335 1.00 73.34 H new ATOM 0 HA THR A 44 -0.431 18.637 4.996 1.00 12.12 H new ATOM 0 HB THR A 44 -0.313 20.689 6.204 1.00 32.24 H new ATOM 0 HG1 THR A 44 -1.218 22.656 5.248 1.00 34.51 H new ATOM 0 HG21 THR A 44 0.925 22.148 4.613 1.00 51.32 H new ATOM 0 HG22 THR A 44 1.381 20.432 4.488 1.00 51.32 H new ATOM 0 HG23 THR A 44 0.309 21.159 3.268 1.00 51.32 H new ATOM 644 N GLY A 45 -2.147 18.953 7.093 1.00 20.54 N ATOM 645 CA GLY A 45 -3.140 19.110 8.145 1.00 43.23 C ATOM 646 C GLY A 45 -4.077 17.924 8.285 1.00 51.03 C ATOM 647 O GLY A 45 -3.972 17.130 9.220 1.00 64.22 O ATOM 0 H GLY A 45 -1.212 18.779 7.463 1.00 20.54 H new ATOM 0 HA2 GLY A 45 -2.628 19.271 9.094 1.00 43.23 H new ATOM 0 HA3 GLY A 45 -3.729 20.005 7.945 1.00 43.23 H new ATOM 651 N ASP A 46 -5.023 17.848 7.364 1.00 12.13 N ATOM 652 CA ASP A 46 -6.038 16.813 7.279 1.00 1.22 C ATOM 653 C ASP A 46 -6.392 16.517 5.817 1.00 72.20 C ATOM 654 O ASP A 46 -6.823 15.417 5.485 1.00 54.44 O ATOM 655 CB ASP A 46 -7.258 17.258 8.080 1.00 53.33 C ATOM 656 CG ASP A 46 -8.308 16.158 8.190 1.00 63.33 C ATOM 657 OD1 ASP A 46 -7.960 15.000 8.505 1.00 44.20 O ATOM 658 OD2 ASP A 46 -9.505 16.499 8.051 1.00 41.23 O ATOM 0 H ASP A 46 -5.107 18.540 6.620 1.00 12.13 H new ATOM 0 HA ASP A 46 -5.658 15.883 7.703 1.00 1.22 H new ATOM 0 HB2 ASP A 46 -6.944 17.559 9.079 1.00 53.33 H new ATOM 0 HB3 ASP A 46 -7.701 18.135 7.607 1.00 53.33 H new ATOM 662 N ASP A 47 -6.112 17.446 4.898 1.00 13.43 N ATOM 663 CA ASP A 47 -6.138 17.239 3.453 1.00 2.35 C ATOM 664 C ASP A 47 -5.208 16.093 3.084 1.00 4.34 C ATOM 665 O ASP A 47 -5.545 15.209 2.305 1.00 62.53 O ATOM 666 CB ASP A 47 -5.630 18.495 2.737 1.00 23.42 C ATOM 667 CG ASP A 47 -6.566 19.685 2.862 1.00 2.43 C ATOM 668 OD1 ASP A 47 -6.670 20.255 3.972 1.00 24.42 O ATOM 669 OD2 ASP A 47 -7.172 20.095 1.848 1.00 1.41 O ATOM 0 H ASP A 47 -5.851 18.398 5.154 1.00 13.43 H new ATOM 0 HA ASP A 47 -7.163 17.017 3.154 1.00 2.35 H new ATOM 0 HB2 ASP A 47 -4.655 18.766 3.143 1.00 23.42 H new ATOM 0 HB3 ASP A 47 -5.484 18.267 1.681 1.00 23.42 H new ATOM 673 N ALA A 48 -4.007 16.106 3.666 1.00 4.14 N ATOM 674 CA ALA A 48 -2.956 15.163 3.345 1.00 75.44 C ATOM 675 C ALA A 48 -3.330 13.773 3.831 1.00 11.41 C ATOM 676 O ALA A 48 -2.865 12.776 3.278 1.00 75.11 O ATOM 677 CB ALA A 48 -1.675 15.632 4.027 1.00 54.44 C ATOM 0 H ALA A 48 -3.743 16.784 4.381 1.00 4.14 H new ATOM 0 HA ALA A 48 -2.812 15.115 2.266 1.00 75.44 H new ATOM 0 HB1 ALA A 48 -0.867 14.937 3.800 1.00 54.44 H new ATOM 0 HB2 ALA A 48 -1.412 16.625 3.664 1.00 54.44 H new ATOM 0 HB3 ALA A 48 -1.830 15.669 5.105 1.00 54.44 H new ATOM 683 N ARG A 49 -4.131 13.714 4.895 1.00 1.35 N ATOM 684 CA ARG A 49 -4.630 12.473 5.440 1.00 2.24 C ATOM 685 C ARG A 49 -5.703 11.947 4.500 1.00 13.25 C ATOM 686 O ARG A 49 -5.562 10.840 3.985 1.00 41.12 O ATOM 687 CB ARG A 49 -5.184 12.693 6.849 1.00 15.12 C ATOM 688 CG ARG A 49 -4.156 13.218 7.856 1.00 62.41 C ATOM 689 CD ARG A 49 -4.783 13.211 9.252 1.00 52.10 C ATOM 690 NE ARG A 49 -3.886 13.783 10.267 1.00 51.30 N ATOM 691 CZ ARG A 49 -2.882 13.137 10.872 1.00 52.00 C ATOM 692 NH1 ARG A 49 -2.573 11.883 10.562 1.00 62.54 N ATOM 693 NH2 ARG A 49 -2.152 13.722 11.807 1.00 40.04 N ATOM 0 H ARG A 49 -4.449 14.541 5.401 1.00 1.35 H new ATOM 0 HA ARG A 49 -3.826 11.742 5.523 1.00 2.24 H new ATOM 0 HB2 ARG A 49 -6.014 13.397 6.794 1.00 15.12 H new ATOM 0 HB3 ARG A 49 -5.589 11.751 7.219 1.00 15.12 H new ATOM 0 HG2 ARG A 49 -3.262 12.595 7.841 1.00 62.41 H new ATOM 0 HG3 ARG A 49 -3.846 14.228 7.587 1.00 62.41 H new ATOM 0 HD2 ARG A 49 -5.715 13.777 9.233 1.00 52.10 H new ATOM 0 HD3 ARG A 49 -5.037 12.188 9.529 1.00 52.10 H new ATOM 0 HE ARG A 49 -4.042 14.755 10.533 1.00 51.30 H new ATOM 0 HH11 ARG A 49 -3.106 11.388 9.847 1.00 62.54 H new ATOM 0 HH12 ARG A 49 -1.803 11.415 11.039 1.00 62.54 H new ATOM 0 HH21 ARG A 49 -2.349 14.685 12.080 1.00 40.04 H new ATOM 0 HH22 ARG A 49 -1.392 13.210 12.255 1.00 40.04 H new ATOM 704 N ALA A 50 -6.730 12.759 4.233 1.00 22.42 N ATOM 705 CA ALA A 50 -7.830 12.417 3.346 1.00 43.13 C ATOM 706 C ALA A 50 -7.320 11.959 1.981 1.00 72.51 C ATOM 707 O ALA A 50 -7.891 11.033 1.415 1.00 32.25 O ATOM 708 CB ALA A 50 -8.768 13.619 3.200 1.00 15.03 C ATOM 0 H ALA A 50 -6.815 13.691 4.639 1.00 22.42 H new ATOM 0 HA ALA A 50 -8.382 11.585 3.784 1.00 43.13 H new ATOM 0 HB1 ALA A 50 -9.591 13.359 2.535 1.00 15.03 H new ATOM 0 HB2 ALA A 50 -9.164 13.892 4.178 1.00 15.03 H new ATOM 0 HB3 ALA A 50 -8.217 14.462 2.783 1.00 15.03 H new ATOM 714 N TYR A 51 -6.253 12.565 1.454 1.00 12.14 N ATOM 715 CA TYR A 51 -5.643 12.176 0.195 1.00 0.23 C ATOM 716 C TYR A 51 -5.129 10.731 0.234 1.00 62.43 C ATOM 717 O TYR A 51 -5.360 9.969 -0.706 1.00 21.21 O ATOM 718 CB TYR A 51 -4.500 13.139 -0.151 1.00 40.21 C ATOM 719 CG TYR A 51 -3.947 12.854 -1.531 1.00 14.05 C ATOM 720 CD1 TYR A 51 -3.124 11.733 -1.747 1.00 3.25 C ATOM 721 CD2 TYR A 51 -4.394 13.609 -2.625 1.00 31.32 C ATOM 722 CE1 TYR A 51 -2.855 11.298 -3.050 1.00 34.53 C ATOM 723 CE2 TYR A 51 -4.056 13.226 -3.932 1.00 61.51 C ATOM 724 CZ TYR A 51 -3.309 12.048 -4.154 1.00 4.23 C ATOM 725 OH TYR A 51 -3.045 11.625 -5.418 1.00 64.41 O ATOM 0 H TYR A 51 -5.786 13.353 1.904 1.00 12.14 H new ATOM 0 HA TYR A 51 -6.409 12.230 -0.579 1.00 0.23 H new ATOM 0 HB2 TYR A 51 -4.860 14.167 -0.105 1.00 40.21 H new ATOM 0 HB3 TYR A 51 -3.705 13.046 0.589 1.00 40.21 H new ATOM 0 HD1 TYR A 51 -2.699 11.207 -0.905 1.00 3.25 H new ATOM 0 HD2 TYR A 51 -5.000 14.488 -2.461 1.00 31.32 H new ATOM 0 HE1 TYR A 51 -2.299 10.386 -3.210 1.00 34.53 H new ATOM 0 HE2 TYR A 51 -4.367 13.833 -4.769 1.00 61.51 H new ATOM 0 HH TYR A 51 -3.888 11.472 -5.894 1.00 64.41 H new ATOM 734 N ALA A 52 -4.360 10.357 1.263 1.00 51.23 N ATOM 735 CA ALA A 52 -3.852 8.998 1.408 1.00 60.24 C ATOM 736 C ALA A 52 -5.010 8.004 1.521 1.00 72.23 C ATOM 737 O ALA A 52 -4.926 6.868 1.052 1.00 20.54 O ATOM 738 CB ALA A 52 -2.963 8.922 2.656 1.00 52.30 C ATOM 0 H ALA A 52 -4.076 10.988 2.012 1.00 51.23 H new ATOM 0 HA ALA A 52 -3.265 8.738 0.528 1.00 60.24 H new ATOM 0 HB1 ALA A 52 -2.581 7.908 2.769 1.00 52.30 H new ATOM 0 HB2 ALA A 52 -2.128 9.615 2.551 1.00 52.30 H new ATOM 0 HB3 ALA A 52 -3.548 9.189 3.536 1.00 52.30 H new ATOM 744 N LEU A 53 -6.090 8.432 2.167 1.00 62.53 N ATOM 745 CA LEU A 53 -7.266 7.644 2.485 1.00 1.34 C ATOM 746 C LEU A 53 -8.242 7.714 1.299 1.00 31.21 C ATOM 747 O LEU A 53 -9.393 8.127 1.463 1.00 40.04 O ATOM 748 CB LEU A 53 -7.845 8.175 3.817 1.00 21.12 C ATOM 749 CG LEU A 53 -6.876 8.047 5.017 1.00 0.22 C ATOM 750 CD1 LEU A 53 -7.277 8.964 6.181 1.00 24.15 C ATOM 751 CD2 LEU A 53 -6.784 6.600 5.509 1.00 41.12 C ATOM 0 H LEU A 53 -6.168 9.393 2.500 1.00 62.53 H new ATOM 0 HA LEU A 53 -7.041 6.588 2.631 1.00 1.34 H new ATOM 0 HB2 LEU A 53 -8.116 9.223 3.692 1.00 21.12 H new ATOM 0 HB3 LEU A 53 -8.763 7.633 4.044 1.00 21.12 H new ATOM 0 HG LEU A 53 -5.896 8.361 4.657 1.00 0.22 H new ATOM 0 HD11 LEU A 53 -6.570 8.841 7.001 1.00 24.15 H new ATOM 0 HD12 LEU A 53 -7.269 10.001 5.847 1.00 24.15 H new ATOM 0 HD13 LEU A 53 -8.278 8.701 6.523 1.00 24.15 H new ATOM 0 HD21 LEU A 53 -6.095 6.545 6.352 1.00 41.12 H new ATOM 0 HD22 LEU A 53 -7.770 6.259 5.823 1.00 41.12 H new ATOM 0 HD23 LEU A 53 -6.421 5.964 4.702 1.00 41.12 H new ATOM 762 N THR A 54 -7.765 7.320 0.110 1.00 42.14 N ATOM 763 CA THR A 54 -8.572 7.131 -1.103 1.00 53.10 C ATOM 764 C THR A 54 -8.302 5.781 -1.789 1.00 63.21 C ATOM 765 O THR A 54 -9.041 5.380 -2.695 1.00 71.44 O ATOM 766 CB THR A 54 -8.350 8.290 -2.092 1.00 20.25 C ATOM 767 OG1 THR A 54 -7.001 8.375 -2.499 1.00 35.52 O ATOM 768 CG2 THR A 54 -8.713 9.650 -1.501 1.00 60.42 C ATOM 0 H THR A 54 -6.776 7.118 -0.038 1.00 42.14 H new ATOM 0 HA THR A 54 -9.615 7.127 -0.788 1.00 53.10 H new ATOM 0 HB THR A 54 -9.003 8.064 -2.935 1.00 20.25 H new ATOM 0 HG1 THR A 54 -6.500 8.923 -1.859 1.00 35.52 H new ATOM 0 HG21 THR A 54 -8.536 10.428 -2.243 1.00 60.42 H new ATOM 0 HG22 THR A 54 -9.765 9.653 -1.215 1.00 60.42 H new ATOM 0 HG23 THR A 54 -8.098 9.841 -0.622 1.00 60.42 H new ATOM 776 N VAL A 55 -7.255 5.048 -1.393 1.00 31.42 N ATOM 777 CA VAL A 55 -6.846 3.796 -2.035 1.00 2.44 C ATOM 778 C VAL A 55 -6.522 2.795 -0.931 1.00 22.11 C ATOM 779 O VAL A 55 -5.418 2.269 -0.811 1.00 61.32 O ATOM 780 CB VAL A 55 -5.684 4.030 -3.018 1.00 40.40 C ATOM 781 CG1 VAL A 55 -5.450 2.828 -3.947 1.00 51.42 C ATOM 782 CG2 VAL A 55 -5.894 5.246 -3.929 1.00 61.30 C ATOM 0 H VAL A 55 -6.661 5.312 -0.607 1.00 31.42 H new ATOM 0 HA VAL A 55 -7.650 3.387 -2.647 1.00 2.44 H new ATOM 0 HB VAL A 55 -4.825 4.194 -2.367 1.00 40.40 H new ATOM 0 HG11 VAL A 55 -4.620 3.044 -4.620 1.00 51.42 H new ATOM 0 HG12 VAL A 55 -5.213 1.947 -3.350 1.00 51.42 H new ATOM 0 HG13 VAL A 55 -6.351 2.639 -4.531 1.00 51.42 H new ATOM 0 HG21 VAL A 55 -5.039 5.353 -4.596 1.00 61.30 H new ATOM 0 HG22 VAL A 55 -6.799 5.106 -4.520 1.00 61.30 H new ATOM 0 HG23 VAL A 55 -5.993 6.144 -3.320 1.00 61.30 H new ATOM 792 N VAL A 56 -7.475 2.578 -0.042 1.00 71.40 N ATOM 793 CA VAL A 56 -7.360 1.628 1.047 1.00 0.35 C ATOM 794 C VAL A 56 -8.615 0.754 0.966 1.00 44.33 C ATOM 795 O VAL A 56 -9.618 1.192 0.406 1.00 24.41 O ATOM 796 CB VAL A 56 -7.181 2.413 2.374 1.00 60.41 C ATOM 797 CG1 VAL A 56 -6.636 1.502 3.475 1.00 12.35 C ATOM 798 CG2 VAL A 56 -6.198 3.599 2.268 1.00 22.51 C ATOM 0 H VAL A 56 -8.369 3.069 -0.059 1.00 71.40 H new ATOM 0 HA VAL A 56 -6.491 0.973 0.991 1.00 0.35 H new ATOM 0 HB VAL A 56 -8.177 2.791 2.605 1.00 60.41 H new ATOM 0 HG11 VAL A 56 -6.519 2.074 4.396 1.00 12.35 H new ATOM 0 HG12 VAL A 56 -7.331 0.680 3.645 1.00 12.35 H new ATOM 0 HG13 VAL A 56 -5.669 1.102 3.171 1.00 12.35 H new ATOM 0 HG21 VAL A 56 -6.125 4.099 3.234 1.00 22.51 H new ATOM 0 HG22 VAL A 56 -5.215 3.231 1.974 1.00 22.51 H new ATOM 0 HG23 VAL A 56 -6.559 4.305 1.521 1.00 22.51 H new ATOM 808 N THR A 57 -8.547 -0.473 1.476 1.00 52.11 N ATOM 809 CA THR A 57 -9.610 -1.452 1.695 1.00 23.14 C ATOM 810 C THR A 57 -10.164 -2.062 0.411 1.00 40.41 C ATOM 811 O THR A 57 -10.451 -3.261 0.413 1.00 42.20 O ATOM 812 CB THR A 57 -10.675 -0.962 2.700 1.00 53.00 C ATOM 813 OG1 THR A 57 -11.442 0.113 2.210 1.00 64.50 O ATOM 814 CG2 THR A 57 -10.001 -0.501 3.995 1.00 11.32 C ATOM 0 H THR A 57 -7.648 -0.847 1.779 1.00 52.11 H new ATOM 0 HA THR A 57 -9.139 -2.302 2.188 1.00 23.14 H new ATOM 0 HB THR A 57 -11.339 -1.809 2.873 1.00 53.00 H new ATOM 0 HG1 THR A 57 -10.947 0.571 1.499 1.00 64.50 H new ATOM 0 HG21 THR A 57 -10.760 -0.157 4.698 1.00 11.32 H new ATOM 0 HG22 THR A 57 -9.450 -1.332 4.434 1.00 11.32 H new ATOM 0 HG23 THR A 57 -9.313 0.315 3.776 1.00 11.32 H new ATOM 822 N SER A 58 -10.163 -1.332 -0.709 1.00 0.33 N ATOM 823 CA SER A 58 -10.451 -1.851 -2.037 1.00 55.02 C ATOM 824 C SER A 58 -11.877 -2.430 -2.086 1.00 43.14 C ATOM 825 O SER A 58 -12.100 -3.621 -2.322 1.00 54.12 O ATOM 826 CB SER A 58 -9.324 -2.829 -2.422 1.00 71.54 C ATOM 827 OG SER A 58 -8.576 -2.369 -3.534 1.00 3.31 O ATOM 0 H SER A 58 -9.954 -0.334 -0.709 1.00 0.33 H new ATOM 0 HA SER A 58 -10.455 -1.067 -2.794 1.00 55.02 H new ATOM 0 HB2 SER A 58 -8.658 -2.968 -1.570 1.00 71.54 H new ATOM 0 HB3 SER A 58 -9.754 -3.804 -2.653 1.00 71.54 H new ATOM 0 HG SER A 58 -7.871 -3.016 -3.744 1.00 3.31 H new ATOM 832 N ASP A 59 -12.854 -1.573 -1.787 1.00 4.03 N ATOM 833 CA ASP A 59 -14.277 -1.870 -1.622 1.00 4.22 C ATOM 834 C ASP A 59 -15.058 -1.904 -2.945 1.00 71.41 C ATOM 835 O ASP A 59 -16.285 -1.791 -2.933 1.00 31.15 O ATOM 836 CB ASP A 59 -14.890 -0.887 -0.602 1.00 51.20 C ATOM 837 CG ASP A 59 -15.042 0.562 -1.087 1.00 13.44 C ATOM 838 OD1 ASP A 59 -14.116 1.070 -1.762 1.00 51.44 O ATOM 839 OD2 ASP A 59 -16.074 1.192 -0.739 1.00 64.34 O ATOM 0 H ASP A 59 -12.657 -0.582 -1.644 1.00 4.03 H new ATOM 0 HA ASP A 59 -14.361 -2.885 -1.234 1.00 4.22 H new ATOM 0 HB2 ASP A 59 -15.872 -1.259 -0.311 1.00 51.20 H new ATOM 0 HB3 ASP A 59 -14.270 -0.888 0.295 1.00 51.20 H new ATOM 843 N PHE A 60 -14.379 -2.027 -4.094 1.00 52.02 N ATOM 844 CA PHE A 60 -14.999 -2.230 -5.409 1.00 21.43 C ATOM 845 C PHE A 60 -14.627 -3.606 -5.994 1.00 11.04 C ATOM 846 O PHE A 60 -15.208 -3.996 -7.013 1.00 20.23 O ATOM 847 CB PHE A 60 -14.606 -1.116 -6.405 1.00 20.32 C ATOM 848 CG PHE A 60 -15.084 0.314 -6.157 1.00 23.35 C ATOM 849 CD1 PHE A 60 -15.060 0.917 -4.886 1.00 54.42 C ATOM 850 CD2 PHE A 60 -15.476 1.103 -7.252 1.00 44.23 C ATOM 851 CE1 PHE A 60 -15.485 2.242 -4.697 1.00 62.24 C ATOM 852 CE2 PHE A 60 -15.892 2.436 -7.073 1.00 21.33 C ATOM 853 CZ PHE A 60 -15.910 3.006 -5.791 1.00 23.54 C ATOM 0 H PHE A 60 -13.361 -1.987 -4.135 1.00 52.02 H new ATOM 0 HA PHE A 60 -16.078 -2.190 -5.258 1.00 21.43 H new ATOM 0 HB2 PHE A 60 -13.517 -1.093 -6.457 1.00 20.32 H new ATOM 0 HB3 PHE A 60 -14.966 -1.415 -7.389 1.00 20.32 H new ATOM 0 HD1 PHE A 60 -14.707 0.349 -4.038 1.00 54.42 H new ATOM 0 HD2 PHE A 60 -15.458 0.680 -8.246 1.00 44.23 H new ATOM 0 HE1 PHE A 60 -15.484 2.672 -3.706 1.00 62.24 H new ATOM 0 HE2 PHE A 60 -16.199 3.023 -7.926 1.00 21.33 H new ATOM 0 HZ PHE A 60 -16.248 4.022 -5.650 1.00 23.54 H new ATOM 862 N ASP A 61 -13.691 -4.332 -5.359 1.00 53.14 N ATOM 863 CA ASP A 61 -13.071 -5.549 -5.899 1.00 23.34 C ATOM 864 C ASP A 61 -12.520 -5.251 -7.311 1.00 60.53 C ATOM 865 O ASP A 61 -12.123 -4.112 -7.578 1.00 21.12 O ATOM 866 CB ASP A 61 -14.043 -6.744 -5.775 1.00 60.11 C ATOM 867 CG ASP A 61 -13.390 -8.125 -5.933 1.00 72.31 C ATOM 868 OD1 ASP A 61 -12.193 -8.231 -6.275 1.00 51.04 O ATOM 869 OD2 ASP A 61 -14.120 -9.133 -5.800 1.00 35.21 O ATOM 0 H ASP A 61 -13.338 -4.081 -4.435 1.00 53.14 H new ATOM 0 HA ASP A 61 -12.203 -5.859 -5.317 1.00 23.34 H new ATOM 0 HB2 ASP A 61 -14.531 -6.698 -4.801 1.00 60.11 H new ATOM 0 HB3 ASP A 61 -14.824 -6.639 -6.528 1.00 60.11 H new ATOM 873 N GLU A 62 -12.393 -6.252 -8.179 1.00 41.13 N ATOM 874 CA GLU A 62 -11.971 -6.180 -9.575 1.00 0.13 C ATOM 875 C GLU A 62 -10.583 -5.544 -9.731 1.00 24.52 C ATOM 876 O GLU A 62 -10.459 -4.406 -10.201 1.00 3.32 O ATOM 877 CB GLU A 62 -13.050 -5.523 -10.448 1.00 51.43 C ATOM 878 CG GLU A 62 -14.364 -6.307 -10.376 1.00 22.45 C ATOM 879 CD GLU A 62 -15.365 -5.830 -11.421 1.00 15.44 C ATOM 880 OE1 GLU A 62 -15.092 -5.989 -12.626 1.00 31.25 O ATOM 881 OE2 GLU A 62 -16.493 -5.439 -11.040 1.00 63.14 O ATOM 0 H GLU A 62 -12.599 -7.212 -7.901 1.00 41.13 H new ATOM 0 HA GLU A 62 -11.859 -7.200 -9.943 1.00 0.13 H new ATOM 0 HB2 GLU A 62 -13.215 -4.497 -10.118 1.00 51.43 H new ATOM 0 HB3 GLU A 62 -12.707 -5.474 -11.482 1.00 51.43 H new ATOM 0 HG2 GLU A 62 -14.163 -7.368 -10.523 1.00 22.45 H new ATOM 0 HG3 GLU A 62 -14.797 -6.200 -9.382 1.00 22.45 H new ATOM 886 N PRO A 63 -9.511 -6.264 -9.354 1.00 3.22 N ATOM 887 CA PRO A 63 -8.143 -5.823 -9.569 1.00 22.35 C ATOM 888 C PRO A 63 -7.802 -5.858 -11.070 1.00 1.44 C ATOM 889 O PRO A 63 -7.293 -6.853 -11.593 1.00 75.14 O ATOM 890 CB PRO A 63 -7.286 -6.753 -8.702 1.00 54.41 C ATOM 891 CG PRO A 63 -8.085 -8.056 -8.694 1.00 53.10 C ATOM 892 CD PRO A 63 -9.527 -7.561 -8.688 1.00 43.34 C ATOM 0 HA PRO A 63 -7.964 -4.788 -9.279 1.00 22.35 H new ATOM 0 HB2 PRO A 63 -6.291 -6.893 -9.124 1.00 54.41 H new ATOM 0 HB3 PRO A 63 -7.153 -6.356 -7.696 1.00 54.41 H new ATOM 0 HG2 PRO A 63 -7.870 -8.669 -9.570 1.00 53.10 H new ATOM 0 HG3 PRO A 63 -7.861 -8.664 -7.817 1.00 53.10 H new ATOM 0 HD2 PRO A 63 -10.181 -8.259 -9.210 1.00 43.34 H new ATOM 0 HD3 PRO A 63 -9.904 -7.472 -7.669 1.00 43.34 H new ATOM 897 N GLY A 64 -8.060 -4.753 -11.771 1.00 61.30 N ATOM 898 CA GLY A 64 -7.601 -4.513 -13.137 1.00 74.41 C ATOM 899 C GLY A 64 -6.166 -3.989 -13.162 1.00 2.43 C ATOM 900 O GLY A 64 -5.605 -3.791 -14.239 1.00 35.32 O ATOM 0 H GLY A 64 -8.609 -3.981 -11.393 1.00 61.30 H new ATOM 0 HA2 GLY A 64 -7.662 -5.438 -13.710 1.00 74.41 H new ATOM 0 HA3 GLY A 64 -8.261 -3.794 -13.622 1.00 74.41 H new ATOM 904 N ASP A 65 -5.573 -3.783 -11.979 1.00 34.53 N ATOM 905 CA ASP A 65 -4.196 -3.408 -11.682 1.00 61.43 C ATOM 906 C ASP A 65 -3.894 -1.979 -12.099 1.00 12.24 C ATOM 907 O ASP A 65 -3.649 -1.124 -11.246 1.00 62.50 O ATOM 908 CB ASP A 65 -3.170 -4.404 -12.245 1.00 1.15 C ATOM 909 CG ASP A 65 -3.347 -5.827 -11.726 1.00 60.53 C ATOM 910 OD1 ASP A 65 -3.832 -6.007 -10.584 1.00 74.41 O ATOM 911 OD2 ASP A 65 -2.979 -6.759 -12.476 1.00 15.03 O ATOM 0 H ASP A 65 -6.110 -3.888 -11.118 1.00 34.53 H new ATOM 0 HA ASP A 65 -4.096 -3.453 -10.598 1.00 61.43 H new ATOM 0 HB2 ASP A 65 -3.244 -4.412 -13.332 1.00 1.15 H new ATOM 0 HB3 ASP A 65 -2.167 -4.058 -11.996 1.00 1.15 H new ATOM 915 N GLU A 66 -3.918 -1.745 -13.401 1.00 41.20 N ATOM 916 CA GLU A 66 -3.342 -0.627 -14.131 1.00 3.01 C ATOM 917 C GLU A 66 -4.106 0.690 -13.922 1.00 20.45 C ATOM 918 O GLU A 66 -3.607 1.774 -14.220 1.00 40.10 O ATOM 919 CB GLU A 66 -3.346 -1.090 -15.599 1.00 31.32 C ATOM 920 CG GLU A 66 -2.477 -0.264 -16.543 1.00 14.35 C ATOM 921 CD GLU A 66 -2.132 -1.075 -17.797 1.00 15.42 C ATOM 922 OE1 GLU A 66 -3.039 -1.276 -18.640 1.00 14.35 O ATOM 923 OE2 GLU A 66 -0.959 -1.508 -17.915 1.00 51.02 O ATOM 0 H GLU A 66 -4.386 -2.395 -14.033 1.00 41.20 H new ATOM 0 HA GLU A 66 -2.339 -0.389 -13.777 1.00 3.01 H new ATOM 0 HB2 GLU A 66 -3.012 -2.127 -15.637 1.00 31.32 H new ATOM 0 HB3 GLU A 66 -4.372 -1.072 -15.966 1.00 31.32 H new ATOM 0 HG2 GLU A 66 -3.001 0.649 -16.825 1.00 14.35 H new ATOM 0 HG3 GLU A 66 -1.562 0.038 -16.034 1.00 14.35 H new ATOM 928 N ASP A 67 -5.319 0.630 -13.374 1.00 40.21 N ATOM 929 CA ASP A 67 -6.223 1.781 -13.362 1.00 41.33 C ATOM 930 C ASP A 67 -5.784 2.830 -12.340 1.00 63.20 C ATOM 931 O ASP A 67 -5.911 4.039 -12.540 1.00 52.04 O ATOM 932 CB ASP A 67 -7.647 1.311 -13.052 1.00 22.41 C ATOM 933 CG ASP A 67 -8.633 2.439 -13.340 1.00 13.23 C ATOM 934 OD1 ASP A 67 -8.682 2.885 -14.509 1.00 12.31 O ATOM 935 OD2 ASP A 67 -9.332 2.899 -12.409 1.00 55.23 O ATOM 0 H ASP A 67 -5.700 -0.206 -12.931 1.00 40.21 H new ATOM 0 HA ASP A 67 -6.194 2.246 -14.347 1.00 41.33 H new ATOM 0 HB2 ASP A 67 -7.892 0.437 -13.656 1.00 22.41 H new ATOM 0 HB3 ASP A 67 -7.721 1.007 -12.008 1.00 22.41 H new ATOM 939 N VAL A 68 -5.177 2.351 -11.256 1.00 33.25 N ATOM 940 CA VAL A 68 -4.678 3.138 -10.142 1.00 55.00 C ATOM 941 C VAL A 68 -3.668 4.188 -10.627 1.00 74.12 C ATOM 942 O VAL A 68 -3.655 5.320 -10.132 1.00 62.23 O ATOM 943 CB VAL A 68 -4.124 2.136 -9.107 1.00 41.24 C ATOM 944 CG1 VAL A 68 -2.758 1.579 -9.512 1.00 44.34 C ATOM 945 CG2 VAL A 68 -4.023 2.734 -7.699 1.00 51.44 C ATOM 0 H VAL A 68 -5.014 1.352 -11.129 1.00 33.25 H new ATOM 0 HA VAL A 68 -5.460 3.727 -9.663 1.00 55.00 H new ATOM 0 HB VAL A 68 -4.848 1.321 -9.087 1.00 41.24 H new ATOM 0 HG11 VAL A 68 -2.411 0.879 -8.752 1.00 44.34 H new ATOM 0 HG12 VAL A 68 -2.844 1.063 -10.468 1.00 44.34 H new ATOM 0 HG13 VAL A 68 -2.044 2.398 -9.605 1.00 44.34 H new ATOM 0 HG21 VAL A 68 -3.628 1.985 -7.013 1.00 51.44 H new ATOM 0 HG22 VAL A 68 -3.357 3.597 -7.717 1.00 51.44 H new ATOM 0 HG23 VAL A 68 -5.012 3.046 -7.364 1.00 51.44 H new ATOM 955 N PHE A 69 -2.841 3.823 -11.613 1.00 20.21 N ATOM 956 CA PHE A 69 -1.855 4.684 -12.242 1.00 12.02 C ATOM 957 C PHE A 69 -2.557 5.826 -12.972 1.00 74.24 C ATOM 958 O PHE A 69 -2.177 6.985 -12.821 1.00 22.11 O ATOM 959 CB PHE A 69 -1.003 3.832 -13.191 1.00 42.31 C ATOM 960 CG PHE A 69 -0.207 4.641 -14.185 1.00 11.32 C ATOM 961 CD1 PHE A 69 -0.787 4.992 -15.417 1.00 52.31 C ATOM 962 CD2 PHE A 69 1.099 5.052 -13.882 1.00 32.55 C ATOM 963 CE1 PHE A 69 -0.050 5.736 -16.346 1.00 4.24 C ATOM 964 CE2 PHE A 69 1.831 5.813 -14.805 1.00 0.15 C ATOM 965 CZ PHE A 69 1.259 6.141 -16.044 1.00 53.41 C ATOM 0 H PHE A 69 -2.847 2.881 -12.004 1.00 20.21 H new ATOM 0 HA PHE A 69 -1.200 5.134 -11.496 1.00 12.02 H new ATOM 0 HB2 PHE A 69 -0.318 3.222 -12.601 1.00 42.31 H new ATOM 0 HB3 PHE A 69 -1.654 3.146 -13.733 1.00 42.31 H new ATOM 0 HD1 PHE A 69 -1.798 4.689 -15.646 1.00 52.31 H new ATOM 0 HD2 PHE A 69 1.542 4.782 -12.935 1.00 32.55 H new ATOM 0 HE1 PHE A 69 -0.490 5.999 -17.297 1.00 4.24 H new ATOM 0 HE2 PHE A 69 2.830 6.145 -14.564 1.00 0.15 H new ATOM 0 HZ PHE A 69 1.828 6.707 -16.767 1.00 53.41 H new ATOM 974 N ARG A 70 -3.622 5.520 -13.721 1.00 62.10 N ATOM 975 CA ARG A 70 -4.389 6.524 -14.450 1.00 71.40 C ATOM 976 C ARG A 70 -4.955 7.565 -13.480 1.00 62.13 C ATOM 977 O ARG A 70 -5.057 8.737 -13.850 1.00 14.14 O ATOM 978 CB ARG A 70 -5.457 5.807 -15.307 1.00 41.03 C ATOM 979 CG ARG A 70 -6.041 6.679 -16.429 1.00 42.44 C ATOM 980 CD ARG A 70 -7.244 7.523 -15.979 1.00 14.22 C ATOM 981 NE ARG A 70 -7.139 8.906 -16.463 1.00 52.14 N ATOM 982 CZ ARG A 70 -7.912 9.933 -16.104 1.00 60.53 C ATOM 983 NH1 ARG A 70 -9.019 9.726 -15.390 1.00 20.14 N ATOM 984 NH2 ARG A 70 -7.552 11.162 -16.447 1.00 35.52 N ATOM 0 H ARG A 70 -3.973 4.569 -13.836 1.00 62.10 H new ATOM 0 HA ARG A 70 -3.755 7.084 -15.137 1.00 71.40 H new ATOM 0 HB2 ARG A 70 -5.016 4.913 -15.747 1.00 41.03 H new ATOM 0 HB3 ARG A 70 -6.268 5.476 -14.658 1.00 41.03 H new ATOM 0 HG2 ARG A 70 -5.262 7.341 -16.807 1.00 42.44 H new ATOM 0 HG3 ARG A 70 -6.345 6.038 -17.257 1.00 42.44 H new ATOM 0 HD2 ARG A 70 -8.165 7.074 -16.352 1.00 14.22 H new ATOM 0 HD3 ARG A 70 -7.306 7.520 -14.891 1.00 14.22 H new ATOM 0 HE ARG A 70 -6.402 9.101 -17.141 1.00 52.14 H new ATOM 0 HH11 ARG A 70 -9.279 8.779 -15.115 1.00 20.14 H new ATOM 0 HH12 ARG A 70 -9.606 10.515 -15.119 1.00 20.14 H new ATOM 0 HH21 ARG A 70 -6.694 11.313 -16.978 1.00 35.52 H new ATOM 0 HH22 ARG A 70 -8.133 11.957 -16.180 1.00 35.52 H new ATOM 995 N LYS A 71 -5.283 7.172 -12.240 1.00 54.33 N ATOM 996 CA LYS A 71 -5.718 8.104 -11.198 1.00 61.51 C ATOM 997 C LYS A 71 -4.549 8.971 -10.759 1.00 13.32 C ATOM 998 O LYS A 71 -4.653 10.190 -10.821 1.00 20.22 O ATOM 999 CB LYS A 71 -6.338 7.358 -10.005 1.00 40.03 C ATOM 1000 CG LYS A 71 -7.042 8.331 -9.047 1.00 13.43 C ATOM 1001 CD LYS A 71 -7.816 7.577 -7.953 1.00 40.33 C ATOM 1002 CE LYS A 71 -8.678 8.466 -7.048 1.00 71.33 C ATOM 1003 NZ LYS A 71 -9.578 9.361 -7.802 1.00 22.23 N ATOM 0 H LYS A 71 -5.253 6.199 -11.935 1.00 54.33 H new ATOM 0 HA LYS A 71 -6.493 8.749 -11.611 1.00 61.51 H new ATOM 0 HB2 LYS A 71 -7.053 6.619 -10.367 1.00 40.03 H new ATOM 0 HB3 LYS A 71 -5.560 6.814 -9.469 1.00 40.03 H new ATOM 0 HG2 LYS A 71 -6.305 8.988 -8.586 1.00 13.43 H new ATOM 0 HG3 LYS A 71 -7.728 8.965 -9.609 1.00 13.43 H new ATOM 0 HD2 LYS A 71 -8.458 6.835 -8.427 1.00 40.33 H new ATOM 0 HD3 LYS A 71 -7.104 7.033 -7.333 1.00 40.33 H new ATOM 0 HE2 LYS A 71 -9.273 7.834 -6.388 1.00 71.33 H new ATOM 0 HE3 LYS A 71 -8.027 9.067 -6.412 1.00 71.33 H new ATOM 0 HZ1 LYS A 71 -10.238 9.823 -7.145 1.00 22.23 H new ATOM 0 HZ2 LYS A 71 -9.016 10.085 -8.294 1.00 22.23 H new ATOM 0 HZ3 LYS A 71 -10.115 8.807 -8.499 1.00 22.23 H new ATOM 1013 N LEU A 72 -3.442 8.348 -10.341 1.00 0.35 N ATOM 1014 CA LEU A 72 -2.227 9.019 -9.874 1.00 75.52 C ATOM 1015 C LEU A 72 -1.800 10.101 -10.863 1.00 4.42 C ATOM 1016 O LEU A 72 -1.611 11.250 -10.468 1.00 12.35 O ATOM 1017 CB LEU A 72 -1.103 7.977 -9.694 1.00 40.13 C ATOM 1018 CG LEU A 72 -1.175 7.218 -8.356 1.00 35.51 C ATOM 1019 CD1 LEU A 72 -0.697 5.768 -8.505 1.00 20.35 C ATOM 1020 CD2 LEU A 72 -0.298 7.906 -7.306 1.00 55.23 C ATOM 0 H LEU A 72 -3.366 7.331 -10.318 1.00 0.35 H new ATOM 0 HA LEU A 72 -2.428 9.498 -8.916 1.00 75.52 H new ATOM 0 HB2 LEU A 72 -1.150 7.259 -10.513 1.00 40.13 H new ATOM 0 HB3 LEU A 72 -0.138 8.479 -9.766 1.00 40.13 H new ATOM 0 HG LEU A 72 -2.219 7.221 -8.042 1.00 35.51 H new ATOM 0 HD11 LEU A 72 -0.762 5.263 -7.541 1.00 20.35 H new ATOM 0 HD12 LEU A 72 -1.326 5.250 -9.229 1.00 20.35 H new ATOM 0 HD13 LEU A 72 0.337 5.759 -8.851 1.00 20.35 H new ATOM 0 HD21 LEU A 72 -0.359 7.358 -6.366 1.00 55.23 H new ATOM 0 HD22 LEU A 72 0.736 7.922 -7.650 1.00 55.23 H new ATOM 0 HD23 LEU A 72 -0.646 8.928 -7.154 1.00 55.23 H new ATOM 1031 N ALA A 73 -1.686 9.756 -12.144 1.00 43.11 N ATOM 1032 CA ALA A 73 -1.279 10.675 -13.198 1.00 63.43 C ATOM 1033 C ALA A 73 -2.223 11.875 -13.318 1.00 15.24 C ATOM 1034 O ALA A 73 -1.798 12.966 -13.695 1.00 71.20 O ATOM 1035 CB ALA A 73 -1.276 9.902 -14.519 1.00 61.32 C ATOM 0 H ALA A 73 -1.878 8.813 -12.482 1.00 43.11 H new ATOM 0 HA ALA A 73 -0.290 11.065 -12.957 1.00 63.43 H new ATOM 0 HB1 ALA A 73 -0.974 10.566 -15.329 1.00 61.32 H new ATOM 0 HB2 ALA A 73 -0.575 9.070 -14.452 1.00 61.32 H new ATOM 0 HB3 ALA A 73 -2.277 9.518 -14.718 1.00 61.32 H new ATOM 1041 N ALA A 74 -3.511 11.678 -13.031 1.00 14.21 N ATOM 1042 CA ALA A 74 -4.523 12.722 -13.103 1.00 34.55 C ATOM 1043 C ALA A 74 -4.636 13.524 -11.801 1.00 4.22 C ATOM 1044 O ALA A 74 -5.522 14.378 -11.710 1.00 71.43 O ATOM 1045 CB ALA A 74 -5.862 12.082 -13.469 1.00 74.33 C ATOM 0 H ALA A 74 -3.881 10.774 -12.738 1.00 14.21 H new ATOM 0 HA ALA A 74 -4.226 13.436 -13.871 1.00 34.55 H new ATOM 0 HB1 ALA A 74 -6.630 12.853 -13.526 1.00 74.33 H new ATOM 0 HB2 ALA A 74 -5.775 11.584 -14.434 1.00 74.33 H new ATOM 0 HB3 ALA A 74 -6.137 11.352 -12.707 1.00 74.33 H new ATOM 1051 N ASP A 75 -3.804 13.250 -10.796 1.00 53.22 N ATOM 1052 CA ASP A 75 -3.747 13.984 -9.531 1.00 20.34 C ATOM 1053 C ASP A 75 -2.418 14.736 -9.499 1.00 42.03 C ATOM 1054 O ASP A 75 -2.387 15.968 -9.470 1.00 13.01 O ATOM 1055 CB ASP A 75 -3.899 13.033 -8.326 1.00 73.10 C ATOM 1056 CG ASP A 75 -5.239 13.218 -7.611 1.00 71.30 C ATOM 1057 OD1 ASP A 75 -5.365 14.209 -6.862 1.00 61.20 O ATOM 1058 OD2 ASP A 75 -6.103 12.314 -7.705 1.00 0.31 O ATOM 0 H ASP A 75 -3.129 12.486 -10.841 1.00 53.22 H new ATOM 0 HA ASP A 75 -4.574 14.690 -9.461 1.00 20.34 H new ATOM 0 HB2 ASP A 75 -3.810 12.001 -8.666 1.00 73.10 H new ATOM 0 HB3 ASP A 75 -3.086 13.208 -7.622 1.00 73.10 H new ATOM 1062 N LEU A 76 -1.299 14.010 -9.591 1.00 33.31 N ATOM 1063 CA LEU A 76 0.055 14.559 -9.657 1.00 53.31 C ATOM 1064 C LEU A 76 0.388 15.101 -11.044 1.00 44.01 C ATOM 1065 O LEU A 76 1.563 15.149 -11.404 1.00 60.23 O ATOM 1066 CB LEU A 76 1.099 13.508 -9.246 1.00 34.32 C ATOM 1067 CG LEU A 76 1.070 13.035 -7.789 1.00 51.33 C ATOM 1068 CD1 LEU A 76 0.941 14.171 -6.781 1.00 60.54 C ATOM 1069 CD2 LEU A 76 -0.046 12.028 -7.560 1.00 31.31 C ATOM 0 H LEU A 76 -1.314 12.991 -9.622 1.00 33.31 H new ATOM 0 HA LEU A 76 0.089 15.390 -8.953 1.00 53.31 H new ATOM 0 HB2 LEU A 76 0.974 12.636 -9.888 1.00 34.32 H new ATOM 0 HB3 LEU A 76 2.089 13.915 -9.451 1.00 34.32 H new ATOM 0 HG LEU A 76 2.037 12.561 -7.621 1.00 51.33 H new ATOM 0 HD11 LEU A 76 0.927 13.761 -5.771 1.00 60.54 H new ATOM 0 HD12 LEU A 76 1.788 14.849 -6.886 1.00 60.54 H new ATOM 0 HD13 LEU A 76 0.015 14.717 -6.964 1.00 60.54 H new ATOM 0 HD21 LEU A 76 -0.041 11.711 -6.517 1.00 31.31 H new ATOM 0 HD22 LEU A 76 -1.006 12.489 -7.795 1.00 31.31 H new ATOM 0 HD23 LEU A 76 0.108 11.162 -8.203 1.00 31.31 H new ATOM 1080 N GLU A 77 -0.617 15.518 -11.810 1.00 34.23 N ATOM 1081 CA GLU A 77 -0.452 16.231 -13.058 1.00 64.10 C ATOM 1082 C GLU A 77 0.444 17.446 -12.774 1.00 63.32 C ATOM 1083 O GLU A 77 0.049 18.336 -12.002 1.00 72.12 O ATOM 1084 CB GLU A 77 -1.840 16.625 -13.584 1.00 43.04 C ATOM 1085 CG GLU A 77 -1.769 17.039 -15.056 1.00 60.22 C ATOM 1086 CD GLU A 77 -2.982 17.859 -15.508 1.00 12.14 C ATOM 1087 OE1 GLU A 77 -4.141 17.527 -15.153 1.00 12.15 O ATOM 1088 OE2 GLU A 77 -2.740 18.860 -16.224 1.00 3.33 O ATOM 0 H GLU A 77 -1.595 15.361 -11.565 1.00 34.23 H new ATOM 0 HA GLU A 77 0.023 15.624 -13.829 1.00 64.10 H new ATOM 0 HB2 GLU A 77 -2.528 15.787 -13.471 1.00 43.04 H new ATOM 0 HB3 GLU A 77 -2.239 17.447 -12.990 1.00 43.04 H new ATOM 0 HG2 GLU A 77 -0.862 17.621 -15.220 1.00 60.22 H new ATOM 0 HG3 GLU A 77 -1.691 16.146 -15.675 1.00 60.22 H new ATOM 1093 N GLY A 78 1.669 17.434 -13.307 1.00 62.41 N ATOM 1094 CA GLY A 78 2.675 18.474 -13.113 1.00 35.45 C ATOM 1095 C GLY A 78 3.684 18.209 -12.001 1.00 33.53 C ATOM 1096 O GLY A 78 4.600 19.007 -11.804 1.00 64.21 O ATOM 0 H GLY A 78 1.995 16.674 -13.904 1.00 62.41 H new ATOM 0 HA2 GLY A 78 3.218 18.609 -14.048 1.00 35.45 H new ATOM 0 HA3 GLY A 78 2.165 19.414 -12.901 1.00 35.45 H new ATOM 1100 N LYS A 79 3.501 17.140 -11.224 1.00 2.03 N ATOM 1101 CA LYS A 79 4.244 16.897 -9.989 1.00 35.34 C ATOM 1102 C LYS A 79 5.038 15.605 -10.127 1.00 75.12 C ATOM 1103 O LYS A 79 6.249 15.621 -9.896 1.00 4.14 O ATOM 1104 CB LYS A 79 3.327 16.884 -8.745 1.00 11.01 C ATOM 1105 CG LYS A 79 2.094 17.810 -8.787 1.00 73.23 C ATOM 1106 CD LYS A 79 2.414 19.307 -8.879 1.00 64.32 C ATOM 1107 CE LYS A 79 2.784 19.880 -7.508 1.00 63.34 C ATOM 1108 NZ LYS A 79 3.086 21.321 -7.591 1.00 35.53 N ATOM 0 H LYS A 79 2.823 16.409 -11.439 1.00 2.03 H new ATOM 0 HA LYS A 79 4.938 17.723 -9.833 1.00 35.34 H new ATOM 0 HB2 LYS A 79 2.981 15.863 -8.587 1.00 11.01 H new ATOM 0 HB3 LYS A 79 3.927 17.155 -7.876 1.00 11.01 H new ATOM 0 HG2 LYS A 79 1.478 17.532 -9.642 1.00 73.23 H new ATOM 0 HG3 LYS A 79 1.496 17.635 -7.893 1.00 73.23 H new ATOM 0 HD2 LYS A 79 3.238 19.463 -9.576 1.00 64.32 H new ATOM 0 HD3 LYS A 79 1.552 19.842 -9.279 1.00 64.32 H new ATOM 0 HE2 LYS A 79 1.962 19.719 -6.811 1.00 63.34 H new ATOM 0 HE3 LYS A 79 3.648 19.348 -7.111 1.00 63.34 H new ATOM 0 HZ1 LYS A 79 3.333 21.679 -6.646 1.00 35.53 H new ATOM 0 HZ2 LYS A 79 3.886 21.471 -8.238 1.00 35.53 H new ATOM 0 HZ3 LYS A 79 2.252 21.830 -7.947 1.00 35.53 H new ATOM 1118 N ALA A 80 4.391 14.493 -10.500 1.00 2.13 N ATOM 1119 CA ALA A 80 5.055 13.206 -10.660 1.00 51.33 C ATOM 1120 C ALA A 80 4.652 12.619 -12.000 1.00 31.33 C ATOM 1121 O ALA A 80 3.474 12.418 -12.270 1.00 62.43 O ATOM 1122 CB ALA A 80 4.731 12.252 -9.510 1.00 32.31 C ATOM 0 H ALA A 80 3.391 14.467 -10.698 1.00 2.13 H new ATOM 0 HA ALA A 80 6.135 13.354 -10.636 1.00 51.33 H new ATOM 0 HB1 ALA A 80 5.246 11.304 -9.668 1.00 32.31 H new ATOM 0 HB2 ALA A 80 5.061 12.692 -8.569 1.00 32.31 H new ATOM 0 HB3 ALA A 80 3.655 12.079 -9.473 1.00 32.31 H new ATOM 1128 N ASP A 81 5.663 12.384 -12.821 1.00 40.30 N ATOM 1129 CA ASP A 81 5.600 11.825 -14.164 1.00 44.33 C ATOM 1130 C ASP A 81 5.505 10.309 -14.071 1.00 71.34 C ATOM 1131 O ASP A 81 5.977 9.711 -13.096 1.00 44.30 O ATOM 1132 CB ASP A 81 6.896 12.107 -14.951 1.00 24.25 C ATOM 1133 CG ASP A 81 7.583 13.441 -14.652 1.00 33.41 C ATOM 1134 OD1 ASP A 81 8.055 13.624 -13.503 1.00 75.10 O ATOM 1135 OD2 ASP A 81 7.735 14.271 -15.571 1.00 73.32 O ATOM 0 H ASP A 81 6.622 12.595 -12.546 1.00 40.30 H new ATOM 0 HA ASP A 81 4.740 12.275 -14.660 1.00 44.33 H new ATOM 0 HB2 ASP A 81 7.603 11.303 -14.748 1.00 24.25 H new ATOM 0 HB3 ASP A 81 6.667 12.069 -16.016 1.00 24.25 H new ATOM 1139 N GLU A 82 5.067 9.663 -15.153 1.00 42.04 N ATOM 1140 CA GLU A 82 4.998 8.211 -15.279 1.00 55.10 C ATOM 1141 C GLU A 82 6.305 7.523 -14.847 1.00 54.34 C ATOM 1142 O GLU A 82 6.292 6.466 -14.206 1.00 60.33 O ATOM 1143 CB GLU A 82 4.625 7.842 -16.727 1.00 55.22 C ATOM 1144 CG GLU A 82 4.764 6.329 -16.957 1.00 0.13 C ATOM 1145 CD GLU A 82 4.031 5.767 -18.170 1.00 24.15 C ATOM 1146 OE1 GLU A 82 3.353 6.508 -18.914 1.00 32.24 O ATOM 1147 OE2 GLU A 82 4.147 4.535 -18.366 1.00 21.35 O ATOM 0 H GLU A 82 4.742 10.151 -15.987 1.00 42.04 H new ATOM 0 HA GLU A 82 4.225 7.847 -14.602 1.00 55.10 H new ATOM 0 HB2 GLU A 82 3.601 8.153 -16.934 1.00 55.22 H new ATOM 0 HB3 GLU A 82 5.269 8.381 -17.422 1.00 55.22 H new ATOM 0 HG2 GLU A 82 5.823 6.092 -17.056 1.00 0.13 H new ATOM 0 HG3 GLU A 82 4.404 5.812 -16.068 1.00 0.13 H new ATOM 1152 N GLU A 83 7.416 8.176 -15.177 1.00 51.14 N ATOM 1153 CA GLU A 83 8.800 7.809 -14.924 1.00 71.51 C ATOM 1154 C GLU A 83 9.111 7.565 -13.440 1.00 41.13 C ATOM 1155 O GLU A 83 10.081 6.866 -13.135 1.00 23.43 O ATOM 1156 CB GLU A 83 9.631 8.957 -15.509 1.00 42.13 C ATOM 1157 CG GLU A 83 11.125 8.687 -15.698 1.00 20.54 C ATOM 1158 CD GLU A 83 11.680 9.671 -16.732 1.00 52.14 C ATOM 1159 OE1 GLU A 83 11.568 10.897 -16.535 1.00 71.53 O ATOM 1160 OE2 GLU A 83 12.102 9.226 -17.829 1.00 63.43 O ATOM 0 H GLU A 83 7.360 9.063 -15.678 1.00 51.14 H new ATOM 0 HA GLU A 83 9.035 6.852 -15.390 1.00 71.51 H new ATOM 0 HB2 GLU A 83 9.207 9.227 -16.476 1.00 42.13 H new ATOM 0 HB3 GLU A 83 9.520 9.825 -14.859 1.00 42.13 H new ATOM 0 HG2 GLU A 83 11.651 8.800 -14.750 1.00 20.54 H new ATOM 0 HG3 GLU A 83 11.284 7.661 -16.031 1.00 20.54 H new ATOM 1165 N THR A 84 8.297 8.093 -12.516 1.00 63.44 N ATOM 1166 CA THR A 84 8.405 7.799 -11.089 1.00 72.53 C ATOM 1167 C THR A 84 7.129 7.112 -10.592 1.00 32.11 C ATOM 1168 O THR A 84 7.215 6.179 -9.796 1.00 53.24 O ATOM 1169 CB THR A 84 8.791 9.086 -10.332 1.00 0.24 C ATOM 1170 OG1 THR A 84 9.446 8.774 -9.124 1.00 1.41 O ATOM 1171 CG2 THR A 84 7.636 10.038 -10.020 1.00 42.00 C ATOM 0 H THR A 84 7.542 8.740 -12.744 1.00 63.44 H new ATOM 0 HA THR A 84 9.204 7.084 -10.892 1.00 72.53 H new ATOM 0 HB THR A 84 9.448 9.612 -11.025 1.00 0.24 H new ATOM 0 HG1 THR A 84 9.402 9.544 -8.519 1.00 1.41 H new ATOM 0 HG21 THR A 84 8.017 10.909 -9.487 1.00 42.00 H new ATOM 0 HG22 THR A 84 7.167 10.358 -10.950 1.00 42.00 H new ATOM 0 HG23 THR A 84 6.900 9.526 -9.400 1.00 42.00 H new ATOM 1179 N ILE A 85 5.949 7.491 -11.095 1.00 54.10 N ATOM 1180 CA ILE A 85 4.677 6.874 -10.701 1.00 33.53 C ATOM 1181 C ILE A 85 4.741 5.350 -10.820 1.00 53.20 C ATOM 1182 O ILE A 85 4.592 4.658 -9.809 1.00 14.43 O ATOM 1183 CB ILE A 85 3.488 7.404 -11.524 1.00 53.40 C ATOM 1184 CG1 ILE A 85 3.319 8.920 -11.315 1.00 12.35 C ATOM 1185 CG2 ILE A 85 2.166 6.722 -11.093 1.00 60.10 C ATOM 1186 CD1 ILE A 85 2.113 9.579 -12.002 1.00 15.05 C ATOM 0 H ILE A 85 5.849 8.234 -11.787 1.00 54.10 H new ATOM 0 HA ILE A 85 4.515 7.148 -9.658 1.00 33.53 H new ATOM 0 HB ILE A 85 3.699 7.183 -12.570 1.00 53.40 H new ATOM 0 HG12 ILE A 85 3.247 9.110 -10.244 1.00 12.35 H new ATOM 0 HG13 ILE A 85 4.224 9.415 -11.667 1.00 12.35 H new ATOM 0 HG21 ILE A 85 1.343 7.114 -11.690 1.00 60.10 H new ATOM 0 HG22 ILE A 85 2.245 5.646 -11.247 1.00 60.10 H new ATOM 0 HG23 ILE A 85 1.979 6.925 -10.039 1.00 60.10 H new ATOM 0 HD11 ILE A 85 2.105 10.646 -11.779 1.00 15.05 H new ATOM 0 HD12 ILE A 85 2.185 9.435 -13.080 1.00 15.05 H new ATOM 0 HD13 ILE A 85 1.192 9.125 -11.635 1.00 15.05 H new ATOM 1197 N ARG A 86 4.908 4.829 -12.043 1.00 0.32 N ATOM 1198 CA ARG A 86 4.910 3.386 -12.292 1.00 23.45 C ATOM 1199 C ARG A 86 6.015 2.730 -11.481 1.00 31.43 C ATOM 1200 O ARG A 86 5.815 1.632 -10.973 1.00 31.21 O ATOM 1201 CB ARG A 86 5.095 3.103 -13.797 1.00 41.02 C ATOM 1202 CG ARG A 86 3.771 2.825 -14.515 1.00 21.44 C ATOM 1203 CD ARG A 86 3.354 1.352 -14.465 1.00 40.13 C ATOM 1204 NE ARG A 86 3.917 0.594 -15.594 1.00 52.11 N ATOM 1205 CZ ARG A 86 4.321 -0.679 -15.578 1.00 62.13 C ATOM 1206 NH1 ARG A 86 4.267 -1.405 -14.466 1.00 4.43 N ATOM 1207 NH2 ARG A 86 4.798 -1.217 -16.692 1.00 62.13 N ATOM 0 H ARG A 86 5.045 5.394 -12.881 1.00 0.32 H new ATOM 0 HA ARG A 86 3.952 2.967 -11.984 1.00 23.45 H new ATOM 0 HB2 ARG A 86 5.585 3.957 -14.265 1.00 41.02 H new ATOM 0 HB3 ARG A 86 5.758 2.247 -13.922 1.00 41.02 H new ATOM 0 HG2 ARG A 86 2.987 3.433 -14.065 1.00 21.44 H new ATOM 0 HG3 ARG A 86 3.858 3.136 -15.556 1.00 21.44 H new ATOM 0 HD2 ARG A 86 3.687 0.910 -13.526 1.00 40.13 H new ATOM 0 HD3 ARG A 86 2.267 1.280 -14.483 1.00 40.13 H new ATOM 0 HE ARG A 86 4.008 1.092 -16.480 1.00 52.11 H new ATOM 0 HH11 ARG A 86 3.912 -0.992 -13.604 1.00 4.43 H new ATOM 0 HH12 ARG A 86 4.580 -2.376 -14.475 1.00 4.43 H new ATOM 0 HH21 ARG A 86 4.852 -0.660 -17.545 1.00 62.13 H new ATOM 0 HH22 ARG A 86 5.111 -2.188 -16.696 1.00 62.13 H new ATOM 1218 N ALA A 87 7.138 3.426 -11.329 1.00 43.20 N ATOM 1219 CA ALA A 87 8.314 2.894 -10.653 1.00 1.03 C ATOM 1220 C ALA A 87 7.991 2.635 -9.175 1.00 64.44 C ATOM 1221 O ALA A 87 8.070 1.505 -8.691 1.00 2.31 O ATOM 1222 CB ALA A 87 9.498 3.851 -10.849 1.00 14.05 C ATOM 0 H ALA A 87 7.257 4.379 -11.673 1.00 43.20 H new ATOM 0 HA ALA A 87 8.602 1.936 -11.087 1.00 1.03 H new ATOM 0 HB1 ALA A 87 10.377 3.451 -10.343 1.00 14.05 H new ATOM 0 HB2 ALA A 87 9.709 3.956 -11.913 1.00 14.05 H new ATOM 0 HB3 ALA A 87 9.250 4.827 -10.430 1.00 14.05 H new ATOM 1228 N LYS A 88 7.526 3.674 -8.479 1.00 12.04 N ATOM 1229 CA LYS A 88 7.099 3.619 -7.083 1.00 11.34 C ATOM 1230 C LYS A 88 6.003 2.605 -6.901 1.00 55.03 C ATOM 1231 O LYS A 88 6.020 1.875 -5.915 1.00 35.45 O ATOM 1232 CB LYS A 88 6.576 4.982 -6.617 1.00 31.25 C ATOM 1233 CG LYS A 88 7.761 5.935 -6.472 1.00 75.10 C ATOM 1234 CD LYS A 88 7.295 7.362 -6.239 1.00 62.30 C ATOM 1235 CE LYS A 88 8.499 8.303 -6.187 1.00 41.20 C ATOM 1236 NZ LYS A 88 9.260 8.225 -4.925 1.00 2.25 N ATOM 0 H LYS A 88 7.434 4.605 -8.886 1.00 12.04 H new ATOM 0 HA LYS A 88 7.969 3.336 -6.490 1.00 11.34 H new ATOM 0 HB2 LYS A 88 5.858 5.378 -7.336 1.00 31.25 H new ATOM 0 HB3 LYS A 88 6.053 4.881 -5.666 1.00 31.25 H new ATOM 0 HG2 LYS A 88 8.389 5.615 -5.640 1.00 75.10 H new ATOM 0 HG3 LYS A 88 8.376 5.893 -7.371 1.00 75.10 H new ATOM 0 HD2 LYS A 88 6.619 7.667 -7.037 1.00 62.30 H new ATOM 0 HD3 LYS A 88 6.735 7.423 -5.306 1.00 62.30 H new ATOM 0 HE2 LYS A 88 9.166 8.072 -7.018 1.00 41.20 H new ATOM 0 HE3 LYS A 88 8.155 9.327 -6.330 1.00 41.20 H new ATOM 0 HZ1 LYS A 88 10.060 8.889 -4.960 1.00 2.25 H new ATOM 0 HZ2 LYS A 88 8.639 8.474 -4.129 1.00 2.25 H new ATOM 0 HZ3 LYS A 88 9.618 7.257 -4.795 1.00 2.25 H new ATOM 1246 N MET A 89 5.030 2.562 -7.810 1.00 53.03 N ATOM 1247 CA MET A 89 3.973 1.582 -7.714 1.00 72.32 C ATOM 1248 C MET A 89 4.589 0.185 -7.693 1.00 53.43 C ATOM 1249 O MET A 89 4.306 -0.522 -6.733 1.00 1.45 O ATOM 1250 CB MET A 89 2.919 1.792 -8.801 1.00 13.01 C ATOM 1251 CG MET A 89 1.924 0.626 -8.832 1.00 31.41 C ATOM 1252 SD MET A 89 0.526 0.894 -9.938 1.00 71.52 S ATOM 1253 CE MET A 89 -0.120 -0.796 -10.085 1.00 35.21 C ATOM 0 H MET A 89 4.960 3.191 -8.610 1.00 53.03 H new ATOM 0 HA MET A 89 3.427 1.703 -6.778 1.00 72.32 H new ATOM 0 HB2 MET A 89 2.386 2.725 -8.620 1.00 13.01 H new ATOM 0 HB3 MET A 89 3.406 1.886 -9.772 1.00 13.01 H new ATOM 0 HG2 MET A 89 2.449 -0.279 -9.137 1.00 31.41 H new ATOM 0 HG3 MET A 89 1.550 0.453 -7.823 1.00 31.41 H new ATOM 0 HE1 MET A 89 -0.991 -0.797 -10.740 1.00 35.21 H new ATOM 0 HE2 MET A 89 0.650 -1.445 -10.503 1.00 35.21 H new ATOM 0 HE3 MET A 89 -0.407 -1.163 -9.100 1.00 35.21 H new ATOM 1261 N VAL A 90 5.424 -0.204 -8.667 1.00 54.43 N ATOM 1262 CA VAL A 90 6.093 -1.509 -8.697 1.00 75.12 C ATOM 1263 C VAL A 90 6.819 -1.764 -7.375 1.00 55.02 C ATOM 1264 O VAL A 90 6.509 -2.742 -6.685 1.00 1.12 O ATOM 1265 CB VAL A 90 7.048 -1.617 -9.910 1.00 71.24 C ATOM 1266 CG1 VAL A 90 7.953 -2.861 -9.829 1.00 71.23 C ATOM 1267 CG2 VAL A 90 6.253 -1.717 -11.218 1.00 4.44 C ATOM 0 H VAL A 90 5.655 0.387 -9.465 1.00 54.43 H new ATOM 0 HA VAL A 90 5.337 -2.285 -8.817 1.00 75.12 H new ATOM 0 HB VAL A 90 7.662 -0.717 -9.892 1.00 71.24 H new ATOM 0 HG11 VAL A 90 8.605 -2.894 -10.702 1.00 71.23 H new ATOM 0 HG12 VAL A 90 8.559 -2.812 -8.924 1.00 71.23 H new ATOM 0 HG13 VAL A 90 7.336 -3.759 -9.803 1.00 71.23 H new ATOM 0 HG21 VAL A 90 6.943 -1.792 -12.058 1.00 4.44 H new ATOM 0 HG22 VAL A 90 5.617 -2.602 -11.191 1.00 4.44 H new ATOM 0 HG23 VAL A 90 5.633 -0.828 -11.336 1.00 4.44 H new ATOM 1277 N GLU A 91 7.766 -0.903 -6.998 1.00 21.12 N ATOM 1278 CA GLU A 91 8.589 -1.169 -5.826 1.00 60.11 C ATOM 1279 C GLU A 91 7.719 -1.278 -4.581 1.00 3.31 C ATOM 1280 O GLU A 91 7.936 -2.157 -3.760 1.00 1.15 O ATOM 1281 CB GLU A 91 9.653 -0.085 -5.608 1.00 42.42 C ATOM 1282 CG GLU A 91 10.892 -0.272 -6.490 1.00 22.25 C ATOM 1283 CD GLU A 91 12.089 0.434 -5.848 1.00 75.20 C ATOM 1284 OE1 GLU A 91 12.121 1.690 -5.857 1.00 43.14 O ATOM 1285 OE2 GLU A 91 12.921 -0.261 -5.217 1.00 63.53 O ATOM 0 H GLU A 91 7.977 -0.030 -7.481 1.00 21.12 H new ATOM 0 HA GLU A 91 9.101 -2.114 -6.005 1.00 60.11 H new ATOM 0 HB2 GLU A 91 9.214 0.892 -5.811 1.00 42.42 H new ATOM 0 HB3 GLU A 91 9.956 -0.087 -4.561 1.00 42.42 H new ATOM 0 HG2 GLU A 91 11.106 -1.334 -6.614 1.00 22.25 H new ATOM 0 HG3 GLU A 91 10.708 0.134 -7.485 1.00 22.25 H new ATOM 1290 N LEU A 92 6.687 -0.448 -4.424 1.00 14.42 N ATOM 1291 CA LEU A 92 5.969 -0.385 -3.155 1.00 72.53 C ATOM 1292 C LEU A 92 4.975 -1.530 -3.070 1.00 0.11 C ATOM 1293 O LEU A 92 4.564 -1.935 -1.989 1.00 13.44 O ATOM 1294 CB LEU A 92 5.317 0.993 -2.955 1.00 3.33 C ATOM 1295 CG LEU A 92 6.357 2.112 -2.692 1.00 60.52 C ATOM 1296 CD1 LEU A 92 5.663 3.465 -2.479 1.00 44.40 C ATOM 1297 CD2 LEU A 92 7.225 1.758 -1.482 1.00 74.14 C ATOM 0 H LEU A 92 6.336 0.179 -5.148 1.00 14.42 H new ATOM 0 HA LEU A 92 6.675 -0.504 -2.333 1.00 72.53 H new ATOM 0 HB2 LEU A 92 4.732 1.246 -3.839 1.00 3.33 H new ATOM 0 HB3 LEU A 92 4.622 0.944 -2.117 1.00 3.33 H new ATOM 0 HG LEU A 92 6.999 2.195 -3.569 1.00 60.52 H new ATOM 0 HD11 LEU A 92 6.413 4.234 -2.296 1.00 44.40 H new ATOM 0 HD12 LEU A 92 5.088 3.723 -3.368 1.00 44.40 H new ATOM 0 HD13 LEU A 92 4.994 3.400 -1.621 1.00 44.40 H new ATOM 0 HD21 LEU A 92 7.951 2.553 -1.310 1.00 74.14 H new ATOM 0 HD22 LEU A 92 6.593 1.646 -0.601 1.00 74.14 H new ATOM 0 HD23 LEU A 92 7.751 0.822 -1.673 1.00 74.14 H new ATOM 1308 N ARG A 93 4.635 -2.109 -4.211 1.00 62.40 N ATOM 1309 CA ARG A 93 3.851 -3.317 -4.349 1.00 61.42 C ATOM 1310 C ARG A 93 4.665 -4.522 -3.897 1.00 34.45 C ATOM 1311 O ARG A 93 4.080 -5.353 -3.202 1.00 53.22 O ATOM 1312 CB ARG A 93 3.399 -3.417 -5.813 1.00 72.22 C ATOM 1313 CG ARG A 93 1.926 -3.020 -6.048 1.00 4.45 C ATOM 1314 CD ARG A 93 1.446 -1.697 -5.421 1.00 12.25 C ATOM 1315 NE ARG A 93 0.127 -1.221 -5.901 1.00 20.44 N ATOM 1316 CZ ARG A 93 -1.038 -1.859 -6.098 1.00 52.22 C ATOM 1317 NH1 ARG A 93 -1.185 -3.156 -5.854 1.00 72.41 N ATOM 1318 NH2 ARG A 93 -2.064 -1.159 -6.562 1.00 63.10 N ATOM 0 H ARG A 93 4.916 -1.724 -5.113 1.00 62.40 H new ATOM 0 HA ARG A 93 2.966 -3.293 -3.714 1.00 61.42 H new ATOM 0 HB2 ARG A 93 4.038 -2.778 -6.423 1.00 72.22 H new ATOM 0 HB3 ARG A 93 3.548 -4.440 -6.159 1.00 72.22 H new ATOM 0 HG2 ARG A 93 1.758 -2.965 -7.124 1.00 4.45 H new ATOM 0 HG3 ARG A 93 1.295 -3.823 -5.668 1.00 4.45 H new ATOM 0 HD2 ARG A 93 1.400 -1.820 -4.339 1.00 12.25 H new ATOM 0 HD3 ARG A 93 2.189 -0.926 -5.622 1.00 12.25 H new ATOM 0 HE ARG A 93 0.099 -0.226 -6.122 1.00 20.44 H new ATOM 0 HH11 ARG A 93 -0.397 -3.702 -5.505 1.00 72.41 H new ATOM 0 HH12 ARG A 93 -2.086 -3.606 -6.016 1.00 72.41 H new ATOM 0 HH21 ARG A 93 -1.955 -0.164 -6.759 1.00 63.10 H new ATOM 0 HH22 ARG A 93 -2.962 -1.615 -6.722 1.00 63.10 H new ATOM 1329 N ALA A 94 5.951 -4.621 -4.248 1.00 3.25 N ATOM 1330 CA ALA A 94 6.805 -5.744 -3.867 1.00 11.35 C ATOM 1331 C ALA A 94 7.414 -5.573 -2.464 1.00 74.44 C ATOM 1332 O ALA A 94 7.479 -6.536 -1.707 1.00 1.41 O ATOM 1333 CB ALA A 94 7.907 -5.920 -4.916 1.00 75.20 C ATOM 0 H ALA A 94 6.430 -3.917 -4.809 1.00 3.25 H new ATOM 0 HA ALA A 94 6.184 -6.639 -3.827 1.00 11.35 H new ATOM 0 HB1 ALA A 94 8.546 -6.757 -4.635 1.00 75.20 H new ATOM 0 HB2 ALA A 94 7.456 -6.118 -5.888 1.00 75.20 H new ATOM 0 HB3 ALA A 94 8.504 -5.010 -4.972 1.00 75.20 H new ATOM 1339 N THR A 95 7.810 -4.359 -2.102 1.00 42.10 N ATOM 1340 CA THR A 95 8.430 -3.961 -0.840 1.00 20.54 C ATOM 1341 C THR A 95 7.403 -4.177 0.262 1.00 40.40 C ATOM 1342 O THR A 95 7.623 -4.982 1.155 1.00 73.54 O ATOM 1343 CB THR A 95 8.879 -2.479 -0.888 1.00 21.52 C ATOM 1344 OG1 THR A 95 10.034 -2.254 -1.680 1.00 43.32 O ATOM 1345 CG2 THR A 95 9.234 -1.925 0.501 1.00 3.32 C ATOM 0 H THR A 95 7.698 -3.564 -2.731 1.00 42.10 H new ATOM 0 HA THR A 95 9.322 -4.559 -0.652 1.00 20.54 H new ATOM 0 HB THR A 95 8.013 -1.977 -1.320 1.00 21.52 H new ATOM 0 HG1 THR A 95 9.770 -2.130 -2.616 1.00 43.32 H new ATOM 0 HG21 THR A 95 9.542 -0.883 0.409 1.00 3.32 H new ATOM 0 HG22 THR A 95 8.362 -1.990 1.152 1.00 3.32 H new ATOM 0 HG23 THR A 95 10.050 -2.508 0.928 1.00 3.32 H new ATOM 1353 N ALA A 96 6.256 -3.485 0.206 1.00 41.42 N ATOM 1354 CA ALA A 96 5.292 -3.422 1.305 1.00 64.53 C ATOM 1355 C ALA A 96 4.630 -4.776 1.619 1.00 23.34 C ATOM 1356 O ALA A 96 3.772 -4.859 2.493 1.00 34.21 O ATOM 1357 CB ALA A 96 4.213 -2.416 0.959 1.00 24.11 C ATOM 0 H ALA A 96 5.972 -2.949 -0.614 1.00 41.42 H new ATOM 0 HA ALA A 96 5.847 -3.125 2.195 1.00 64.53 H new ATOM 0 HB1 ALA A 96 3.490 -2.363 1.773 1.00 24.11 H new ATOM 0 HB2 ALA A 96 4.664 -1.435 0.810 1.00 24.11 H new ATOM 0 HB3 ALA A 96 3.707 -2.725 0.044 1.00 24.11 H new ATOM 1363 N ARG A 97 4.964 -5.818 0.858 1.00 24.25 N ATOM 1364 CA ARG A 97 4.699 -7.206 1.169 1.00 31.32 C ATOM 1365 C ARG A 97 5.700 -7.676 2.222 1.00 64.51 C ATOM 1366 O ARG A 97 5.287 -8.064 3.311 1.00 15.35 O ATOM 1367 CB ARG A 97 4.812 -8.015 -0.135 1.00 71.53 C ATOM 1368 CG ARG A 97 3.526 -7.977 -0.974 1.00 4.02 C ATOM 1369 CD ARG A 97 3.535 -9.060 -2.070 1.00 4.15 C ATOM 1370 NE ARG A 97 2.478 -10.067 -1.851 1.00 41.12 N ATOM 1371 CZ ARG A 97 2.641 -11.389 -1.672 1.00 51.44 C ATOM 1372 NH1 ARG A 97 3.846 -11.945 -1.701 1.00 20.33 N ATOM 1373 NH2 ARG A 97 1.580 -12.161 -1.429 1.00 51.41 N ATOM 0 H ARG A 97 5.449 -5.702 -0.032 1.00 24.25 H new ATOM 0 HA ARG A 97 3.698 -7.344 1.578 1.00 31.32 H new ATOM 0 HB2 ARG A 97 5.639 -7.625 -0.728 1.00 71.53 H new ATOM 0 HB3 ARG A 97 5.053 -9.051 0.105 1.00 71.53 H new ATOM 0 HG2 ARG A 97 2.662 -8.122 -0.325 1.00 4.02 H new ATOM 0 HG3 ARG A 97 3.419 -6.994 -1.433 1.00 4.02 H new ATOM 0 HD2 ARG A 97 3.396 -8.592 -3.045 1.00 4.15 H new ATOM 0 HD3 ARG A 97 4.508 -9.551 -2.088 1.00 4.15 H new ATOM 0 HE ARG A 97 1.518 -9.721 -1.834 1.00 41.12 H new ATOM 0 HH11 ARG A 97 4.671 -11.367 -1.862 1.00 20.33 H new ATOM 0 HH12 ARG A 97 3.947 -12.951 -1.563 1.00 20.33 H new ATOM 0 HH21 ARG A 97 0.649 -11.747 -1.380 1.00 51.41 H new ATOM 0 HH22 ARG A 97 1.700 -13.165 -1.293 1.00 51.41 H new ATOM 1384 N GLU A 98 6.992 -7.642 1.910 1.00 75.54 N ATOM 1385 CA GLU A 98 8.087 -8.016 2.783 1.00 64.44 C ATOM 1386 C GLU A 98 8.033 -7.150 4.058 1.00 33.14 C ATOM 1387 O GLU A 98 7.888 -7.693 5.156 1.00 41.43 O ATOM 1388 CB GLU A 98 9.358 -7.921 1.927 1.00 31.11 C ATOM 1389 CG GLU A 98 10.614 -8.490 2.589 1.00 1.24 C ATOM 1390 CD GLU A 98 11.714 -8.814 1.560 1.00 53.04 C ATOM 1391 OE1 GLU A 98 11.791 -8.164 0.485 1.00 73.54 O ATOM 1392 OE2 GLU A 98 12.450 -9.817 1.730 1.00 3.24 O ATOM 0 H GLU A 98 7.314 -7.336 0.992 1.00 75.54 H new ATOM 0 HA GLU A 98 8.044 -9.035 3.168 1.00 64.44 H new ATOM 0 HB2 GLU A 98 9.188 -8.447 0.988 1.00 31.11 H new ATOM 0 HB3 GLU A 98 9.536 -6.875 1.679 1.00 31.11 H new ATOM 0 HG2 GLU A 98 10.997 -7.773 3.315 1.00 1.24 H new ATOM 0 HG3 GLU A 98 10.355 -9.394 3.140 1.00 1.24 H new ATOM 1397 N GLN A 99 7.963 -5.820 3.903 1.00 34.25 N ATOM 1398 CA GLN A 99 7.935 -4.781 4.918 1.00 20.24 C ATOM 1399 C GLN A 99 6.971 -4.986 6.087 1.00 43.14 C ATOM 1400 O GLN A 99 7.222 -4.441 7.153 1.00 35.15 O ATOM 1401 CB GLN A 99 7.606 -3.443 4.224 1.00 35.24 C ATOM 1402 CG GLN A 99 8.603 -2.356 4.592 1.00 20.11 C ATOM 1403 CD GLN A 99 8.010 -0.947 4.477 1.00 2.43 C ATOM 1404 OE1 GLN A 99 7.174 -0.526 5.277 1.00 40.43 O ATOM 1405 NE2 GLN A 99 8.363 -0.168 3.467 1.00 75.41 N ATOM 0 H GLN A 99 7.921 -5.415 2.968 1.00 34.25 H new ATOM 0 HA GLN A 99 8.923 -4.803 5.378 1.00 20.24 H new ATOM 0 HB2 GLN A 99 7.605 -3.585 3.143 1.00 35.24 H new ATOM 0 HB3 GLN A 99 6.602 -3.125 4.505 1.00 35.24 H new ATOM 0 HG2 GLN A 99 8.950 -2.518 5.612 1.00 20.11 H new ATOM 0 HG3 GLN A 99 9.475 -2.433 3.942 1.00 20.11 H new ATOM 0 HE21 GLN A 99 9.053 -0.492 2.790 1.00 75.41 H new ATOM 0 HE22 GLN A 99 7.945 0.757 3.366 1.00 75.41 H new ATOM 1412 N ILE A 100 5.886 -5.745 5.920 1.00 11.45 N ATOM 1413 CA ILE A 100 4.948 -6.089 6.998 1.00 72.42 C ATOM 1414 C ILE A 100 5.696 -6.595 8.223 1.00 22.25 C ATOM 1415 O ILE A 100 5.433 -6.108 9.321 1.00 75.11 O ATOM 1416 CB ILE A 100 3.949 -7.150 6.463 1.00 13.04 C ATOM 1417 CG1 ILE A 100 3.076 -6.607 5.314 1.00 43.42 C ATOM 1418 CG2 ILE A 100 3.018 -7.770 7.521 1.00 4.13 C ATOM 1419 CD1 ILE A 100 2.421 -5.264 5.638 1.00 40.22 C ATOM 0 H ILE A 100 5.628 -6.146 5.018 1.00 11.45 H new ATOM 0 HA ILE A 100 4.396 -5.202 7.308 1.00 72.42 H new ATOM 0 HB ILE A 100 4.608 -7.941 6.105 1.00 13.04 H new ATOM 0 HG12 ILE A 100 3.690 -6.498 4.420 1.00 43.42 H new ATOM 0 HG13 ILE A 100 2.300 -7.336 5.081 1.00 43.42 H new ATOM 0 HG21 ILE A 100 2.360 -8.498 7.045 1.00 4.13 H new ATOM 0 HG22 ILE A 100 3.616 -8.266 8.286 1.00 4.13 H new ATOM 0 HG23 ILE A 100 2.418 -6.986 7.982 1.00 4.13 H new ATOM 0 HD11 ILE A 100 1.821 -4.938 4.789 1.00 40.22 H new ATOM 0 HD12 ILE A 100 1.781 -5.373 6.514 1.00 40.22 H new ATOM 0 HD13 ILE A 100 3.193 -4.523 5.843 1.00 40.22 H new ATOM 1430 N ILE A 101 6.616 -7.539 8.043 1.00 20.43 N ATOM 1431 CA ILE A 101 7.347 -8.155 9.142 1.00 3.33 C ATOM 1432 C ILE A 101 8.217 -7.116 9.854 1.00 61.32 C ATOM 1433 O ILE A 101 8.427 -7.196 11.060 1.00 51.34 O ATOM 1434 CB ILE A 101 8.158 -9.334 8.580 1.00 35.12 C ATOM 1435 CG1 ILE A 101 7.230 -10.449 8.055 1.00 51.22 C ATOM 1436 CG2 ILE A 101 9.158 -9.869 9.609 1.00 72.34 C ATOM 1437 CD1 ILE A 101 6.270 -11.082 9.044 1.00 64.54 C ATOM 0 H ILE A 101 6.875 -7.899 7.124 1.00 20.43 H new ATOM 0 HA ILE A 101 6.662 -8.541 9.897 1.00 3.33 H new ATOM 0 HB ILE A 101 8.736 -8.963 7.733 1.00 35.12 H new ATOM 0 HG12 ILE A 101 6.644 -10.040 7.232 1.00 51.22 H new ATOM 0 HG13 ILE A 101 7.855 -11.239 7.639 1.00 51.22 H new ATOM 0 HG21 ILE A 101 9.714 -10.702 9.178 1.00 72.34 H new ATOM 0 HG22 ILE A 101 9.852 -9.076 9.889 1.00 72.34 H new ATOM 0 HG23 ILE A 101 8.622 -10.211 10.494 1.00 72.34 H new ATOM 0 HD11 ILE A 101 5.681 -11.848 8.540 1.00 64.54 H new ATOM 0 HD12 ILE A 101 6.834 -11.536 9.859 1.00 64.54 H new ATOM 0 HD13 ILE A 101 5.604 -10.318 9.445 1.00 64.54 H new ATOM 1448 N SER A 102 8.693 -6.121 9.112 1.00 75.42 N ATOM 1449 CA SER A 102 9.522 -5.035 9.616 1.00 74.11 C ATOM 1450 C SER A 102 8.745 -4.102 10.568 1.00 0.12 C ATOM 1451 O SER A 102 9.354 -3.252 11.223 1.00 23.52 O ATOM 1452 CB SER A 102 10.050 -4.285 8.390 1.00 22.34 C ATOM 1453 OG SER A 102 11.316 -3.685 8.583 1.00 14.13 O ATOM 0 H SER A 102 8.506 -6.047 8.112 1.00 75.42 H new ATOM 0 HA SER A 102 10.344 -5.429 10.214 1.00 74.11 H new ATOM 0 HB2 SER A 102 10.112 -4.979 7.552 1.00 22.34 H new ATOM 0 HB3 SER A 102 9.332 -3.513 8.112 1.00 22.34 H new ATOM 0 HG SER A 102 11.590 -3.227 7.761 1.00 14.13 H new ATOM 1458 N GLU A 103 7.413 -4.203 10.637 1.00 72.51 N ATOM 1459 CA GLU A 103 6.564 -3.416 11.539 1.00 20.52 C ATOM 1460 C GLU A 103 6.158 -4.214 12.773 1.00 11.13 C ATOM 1461 O GLU A 103 5.794 -3.636 13.803 1.00 62.33 O ATOM 1462 CB GLU A 103 5.264 -3.040 10.821 1.00 11.13 C ATOM 1463 CG GLU A 103 5.496 -2.318 9.506 1.00 62.44 C ATOM 1464 CD GLU A 103 4.189 -1.678 9.023 1.00 14.14 C ATOM 1465 OE1 GLU A 103 3.164 -2.398 8.935 1.00 21.25 O ATOM 1466 OE2 GLU A 103 4.115 -0.442 8.834 1.00 11.02 O ATOM 0 H GLU A 103 6.883 -4.850 10.053 1.00 72.51 H new ATOM 0 HA GLU A 103 7.141 -2.540 11.834 1.00 20.52 H new ATOM 0 HB2 GLU A 103 4.685 -3.944 10.635 1.00 11.13 H new ATOM 0 HB3 GLU A 103 4.665 -2.407 11.475 1.00 11.13 H new ATOM 0 HG2 GLU A 103 6.261 -1.552 9.632 1.00 62.44 H new ATOM 0 HG3 GLU A 103 5.866 -3.018 8.757 1.00 62.44 H new ATOM 1471 N ILE A 104 6.141 -5.540 12.623 1.00 20.22 N ATOM 1472 CA ILE A 104 5.751 -6.454 13.699 1.00 23.44 C ATOM 1473 C ILE A 104 6.749 -6.294 14.828 1.00 64.41 C ATOM 1474 O ILE A 104 6.292 -6.116 15.982 1.00 62.10 O ATOM 1475 CB ILE A 104 5.648 -7.918 13.217 1.00 35.31 C ATOM 1476 CG1 ILE A 104 4.604 -8.031 12.091 1.00 21.44 C ATOM 1477 CG2 ILE A 104 5.247 -8.871 14.363 1.00 41.31 C ATOM 1478 CD1 ILE A 104 4.509 -9.437 11.507 1.00 23.44 C ATOM 0 H ILE A 104 6.397 -6.010 11.754 1.00 20.22 H new ATOM 0 HA ILE A 104 4.751 -6.200 14.050 1.00 23.44 H new ATOM 0 HB ILE A 104 6.633 -8.208 12.852 1.00 35.31 H new ATOM 0 HG12 ILE A 104 3.628 -7.737 12.477 1.00 21.44 H new ATOM 0 HG13 ILE A 104 4.857 -7.329 11.296 1.00 21.44 H new ATOM 0 HG21 ILE A 104 5.185 -9.891 13.983 1.00 41.31 H new ATOM 0 HG22 ILE A 104 5.995 -8.823 15.155 1.00 41.31 H new ATOM 0 HG23 ILE A 104 4.277 -8.573 14.762 1.00 41.31 H new ATOM 0 HD11 ILE A 104 3.757 -9.453 10.718 1.00 23.44 H new ATOM 0 HD12 ILE A 104 5.475 -9.725 11.093 1.00 23.44 H new ATOM 0 HD13 ILE A 104 4.227 -10.139 12.292 1.00 23.44 H new TER 1489 ILE A 104