USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 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 23 HIS : no HD1:sc= -0.316 K(o=0.55,f=-0.2) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.87 K(o=0.55,f=-1.1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -57:sc= 0.58 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0899 X(o=-0.09,f=-0.023) USER MOD Single : A 27 SER OG : rot 47:sc= 1.35 USER MOD Single : A 28 SER OG : rot -39:sc= 0.577 USER MOD Single : A 31 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.63) USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0292) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -1.01 K(o=-1,f=-0.5) USER MOD Single : A 58 MET CE :methyl 179:sc= -0.873 (180deg=-0.876) USER MOD Single : A 65 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-7.4!) USER MOD Single : A 67 THR OG1 : rot -64:sc= 0.527 USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= -0.638 (180deg=-5.05!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0189) USER MOD Single : A 75 ASN : amide:sc= -1.38 X(o=-1.4,f=-0.96) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.433 7.471 0.265 1.00 53.03 N ATOM 23 CA ARG A 3 -11.082 7.240 -0.247 1.00 42.50 C ATOM 24 C ARG A 3 -10.147 7.129 0.936 1.00 53.41 C ATOM 25 O ARG A 3 -9.978 8.085 1.702 1.00 53.41 O ATOM 26 CB ARG A 3 -10.700 8.268 -1.329 1.00 41.12 C ATOM 27 CG ARG A 3 -10.051 7.635 -2.574 1.00 54.01 C ATOM 28 CD ARG A 3 -8.562 7.276 -2.451 1.00 1.22 C ATOM 29 NE ARG A 3 -7.700 8.420 -2.811 1.00 55.12 N ATOM 30 CZ ARG A 3 -7.272 9.382 -1.993 1.00 21.21 C ATOM 31 NH1 ARG A 3 -7.416 9.233 -0.684 1.00 70.52 N ATOM 32 NH2 ARG A 3 -6.696 10.464 -2.493 1.00 3.21 N ATOM 0 HA ARG A 3 -11.010 6.296 -0.787 1.00 42.50 H new ATOM 0 HB2 ARG A 3 -11.593 8.814 -1.632 1.00 41.12 H new ATOM 0 HB3 ARG A 3 -10.012 8.996 -0.900 1.00 41.12 H new ATOM 0 HG2 ARG A 3 -10.603 6.729 -2.826 1.00 54.01 H new ATOM 0 HG3 ARG A 3 -10.170 8.323 -3.411 1.00 54.01 H new ATOM 0 HD2 ARG A 3 -8.345 6.962 -1.430 1.00 1.22 H new ATOM 0 HD3 ARG A 3 -8.336 6.430 -3.099 1.00 1.22 H new ATOM 0 HE ARG A 3 -7.402 8.480 -3.785 1.00 55.12 H new ATOM 0 HH11 ARG A 3 -7.851 8.389 -0.312 1.00 70.52 H new ATOM 0 HH12 ARG A 3 -7.092 9.963 -0.049 1.00 70.52 H new ATOM 0 HH21 ARG A 3 -6.581 10.560 -3.502 1.00 3.21 H new ATOM 0 HH22 ARG A 3 -6.368 11.201 -1.869 1.00 3.21 H new ATOM 46 N PHE A 4 -9.623 5.924 1.116 1.00 52.34 N ATOM 47 CA PHE A 4 -8.709 5.536 2.174 1.00 31.15 C ATOM 48 C PHE A 4 -7.301 5.453 1.593 1.00 33.42 C ATOM 49 O PHE A 4 -7.134 5.370 0.372 1.00 43.54 O ATOM 50 CB PHE A 4 -9.146 4.172 2.746 1.00 32.11 C ATOM 51 CG PHE A 4 -10.535 4.129 3.369 1.00 22.35 C ATOM 52 CD1 PHE A 4 -11.689 4.131 2.558 1.00 12.44 C ATOM 53 CD2 PHE A 4 -10.680 4.036 4.769 1.00 11.41 C ATOM 54 CE1 PHE A 4 -12.964 4.146 3.155 1.00 14.41 C ATOM 55 CE2 PHE A 4 -11.954 4.027 5.358 1.00 52.33 C ATOM 56 CZ PHE A 4 -13.099 4.098 4.551 1.00 33.12 C ATOM 0 H PHE A 4 -9.839 5.149 0.489 1.00 52.34 H new ATOM 0 HA PHE A 4 -8.720 6.269 2.981 1.00 31.15 H new ATOM 0 HB2 PHE A 4 -9.104 3.433 1.945 1.00 32.11 H new ATOM 0 HB3 PHE A 4 -8.421 3.866 3.500 1.00 32.11 H new ATOM 0 HD1 PHE A 4 -11.595 4.121 1.482 1.00 12.44 H new ATOM 0 HD2 PHE A 4 -9.802 3.971 5.394 1.00 11.41 H new ATOM 0 HE1 PHE A 4 -13.846 4.195 2.533 1.00 14.41 H new ATOM 0 HE2 PHE A 4 -12.053 3.965 6.432 1.00 52.33 H new ATOM 0 HZ PHE A 4 -14.080 4.116 5.002 1.00 33.12 H new ATOM 66 N ILE A 5 -6.295 5.503 2.464 1.00 30.50 N ATOM 67 CA ILE A 5 -4.880 5.430 2.138 1.00 54.22 C ATOM 68 C ILE A 5 -4.229 4.455 3.118 1.00 10.14 C ATOM 69 O ILE A 5 -4.704 4.277 4.247 1.00 25.22 O ATOM 70 CB ILE A 5 -4.196 6.822 2.153 1.00 31.34 C ATOM 71 CG1 ILE A 5 -4.996 7.868 1.340 1.00 1.14 C ATOM 72 CG2 ILE A 5 -2.765 6.782 1.579 1.00 23.35 C ATOM 73 CD1 ILE A 5 -5.593 8.924 2.257 1.00 53.44 C ATOM 0 H ILE A 5 -6.458 5.601 3.466 1.00 30.50 H new ATOM 0 HA ILE A 5 -4.756 5.069 1.117 1.00 54.22 H new ATOM 0 HB ILE A 5 -4.161 7.109 3.204 1.00 31.34 H new ATOM 0 HG12 ILE A 5 -4.343 8.343 0.608 1.00 1.14 H new ATOM 0 HG13 ILE A 5 -5.791 7.372 0.783 1.00 1.14 H new ATOM 0 HG21 ILE A 5 -2.331 7.782 1.613 1.00 23.35 H new ATOM 0 HG22 ILE A 5 -2.154 6.101 2.172 1.00 23.35 H new ATOM 0 HG23 ILE A 5 -2.797 6.435 0.546 1.00 23.35 H new ATOM 0 HD11 ILE A 5 -6.151 9.648 1.663 1.00 53.44 H new ATOM 0 HD12 ILE A 5 -6.264 8.448 2.972 1.00 53.44 H new ATOM 0 HD13 ILE A 5 -4.793 9.434 2.794 1.00 53.44 H new ATOM 85 N VAL A 6 -3.179 3.789 2.656 1.00 21.20 N ATOM 86 CA VAL A 6 -2.373 2.837 3.393 1.00 61.24 C ATOM 87 C VAL A 6 -0.964 3.426 3.402 1.00 5.44 C ATOM 88 O VAL A 6 -0.438 3.813 2.348 1.00 10.41 O ATOM 89 CB VAL A 6 -2.425 1.447 2.731 1.00 14.01 C ATOM 90 CG1 VAL A 6 -1.550 0.449 3.488 1.00 54.04 C ATOM 91 CG2 VAL A 6 -3.850 0.890 2.695 1.00 21.24 C ATOM 0 H VAL A 6 -2.851 3.910 1.698 1.00 21.20 H new ATOM 0 HA VAL A 6 -2.735 2.684 4.409 1.00 61.24 H new ATOM 0 HB VAL A 6 -2.058 1.577 1.713 1.00 14.01 H new ATOM 0 HG11 VAL A 6 -1.604 -0.525 3.001 1.00 54.04 H new ATOM 0 HG12 VAL A 6 -0.517 0.798 3.489 1.00 54.04 H new ATOM 0 HG13 VAL A 6 -1.904 0.361 4.515 1.00 54.04 H new ATOM 0 HG21 VAL A 6 -3.845 -0.091 2.221 1.00 21.24 H new ATOM 0 HG22 VAL A 6 -4.231 0.800 3.712 1.00 21.24 H new ATOM 0 HG23 VAL A 6 -4.490 1.565 2.126 1.00 21.24 H new ATOM 101 N PHE A 7 -0.410 3.601 4.600 1.00 14.13 N ATOM 102 CA PHE A 7 0.926 4.119 4.814 1.00 23.24 C ATOM 103 C PHE A 7 1.854 2.934 4.638 1.00 60.20 C ATOM 104 O PHE A 7 1.593 1.894 5.242 1.00 11.40 O ATOM 105 CB PHE A 7 1.123 4.598 6.267 1.00 3.22 C ATOM 106 CG PHE A 7 2.553 5.010 6.572 1.00 44.12 C ATOM 107 CD1 PHE A 7 3.223 5.900 5.717 1.00 40.45 C ATOM 108 CD2 PHE A 7 3.245 4.470 7.671 1.00 30.21 C ATOM 109 CE1 PHE A 7 4.568 6.226 5.938 1.00 33.11 C ATOM 110 CE2 PHE A 7 4.582 4.813 7.913 1.00 70.41 C ATOM 111 CZ PHE A 7 5.243 5.687 7.042 1.00 43.45 C ATOM 0 H PHE A 7 -0.897 3.378 5.468 1.00 14.13 H new ATOM 0 HA PHE A 7 1.109 4.951 4.134 1.00 23.24 H new ATOM 0 HB2 PHE A 7 0.460 5.442 6.458 1.00 3.22 H new ATOM 0 HB3 PHE A 7 0.828 3.800 6.949 1.00 3.22 H new ATOM 0 HD1 PHE A 7 2.697 6.337 4.881 1.00 40.45 H new ATOM 0 HD2 PHE A 7 2.741 3.784 8.335 1.00 30.21 H new ATOM 0 HE1 PHE A 7 5.083 6.890 5.260 1.00 33.11 H new ATOM 0 HE2 PHE A 7 5.100 4.405 8.768 1.00 70.41 H new ATOM 0 HZ PHE A 7 6.276 5.947 7.221 1.00 43.45 H new ATOM 121 N VAL A 8 2.923 3.068 3.861 1.00 65.42 N ATOM 122 CA VAL A 8 3.876 1.980 3.679 1.00 73.44 C ATOM 123 C VAL A 8 5.256 2.625 3.773 1.00 35.14 C ATOM 124 O VAL A 8 5.495 3.569 3.019 1.00 12.12 O ATOM 125 CB VAL A 8 3.622 1.231 2.353 1.00 12.03 C ATOM 126 CG1 VAL A 8 4.444 -0.061 2.278 1.00 71.22 C ATOM 127 CG2 VAL A 8 2.146 0.842 2.166 1.00 65.44 C ATOM 0 H VAL A 8 3.151 3.919 3.347 1.00 65.42 H new ATOM 0 HA VAL A 8 3.779 1.206 4.440 1.00 73.44 H new ATOM 0 HB VAL A 8 3.918 1.927 1.568 1.00 12.03 H new ATOM 0 HG11 VAL A 8 4.243 -0.566 1.333 1.00 71.22 H new ATOM 0 HG12 VAL A 8 5.505 0.179 2.343 1.00 71.22 H new ATOM 0 HG13 VAL A 8 4.169 -0.716 3.105 1.00 71.22 H new ATOM 0 HG21 VAL A 8 2.025 0.318 1.218 1.00 65.44 H new ATOM 0 HG22 VAL A 8 1.835 0.190 2.983 1.00 65.44 H new ATOM 0 HG23 VAL A 8 1.530 1.741 2.165 1.00 65.44 H new ATOM 137 N GLY A 9 6.138 2.196 4.690 1.00 14.50 N ATOM 138 CA GLY A 9 7.479 2.777 4.824 1.00 60.41 C ATOM 139 C GLY A 9 8.577 1.736 4.995 1.00 73.54 C ATOM 140 O GLY A 9 8.309 0.535 5.001 1.00 20.34 O ATOM 0 H GLY A 9 5.943 1.445 5.352 1.00 14.50 H new ATOM 0 HA2 GLY A 9 7.695 3.380 3.942 1.00 60.41 H new ATOM 0 HA3 GLY A 9 7.491 3.450 5.681 1.00 60.41 H new ATOM 144 N SER A 10 9.816 2.217 5.121 1.00 11.53 N ATOM 145 CA SER A 10 11.051 1.444 5.254 1.00 64.40 C ATOM 146 C SER A 10 11.425 0.753 3.929 1.00 51.25 C ATOM 147 O SER A 10 12.194 -0.210 3.908 1.00 2.11 O ATOM 148 CB SER A 10 10.974 0.471 6.440 1.00 22.33 C ATOM 149 OG SER A 10 12.025 0.751 7.352 1.00 60.21 O ATOM 0 H SER A 10 9.994 3.221 5.134 1.00 11.53 H new ATOM 0 HA SER A 10 11.864 2.135 5.477 1.00 64.40 H new ATOM 0 HB2 SER A 10 10.010 0.566 6.940 1.00 22.33 H new ATOM 0 HB3 SER A 10 11.050 -0.557 6.086 1.00 22.33 H new ATOM 0 HG SER A 10 11.975 0.131 8.109 1.00 60.21 H new ATOM 155 N LEU A 11 10.877 1.239 2.813 1.00 4.34 N ATOM 156 CA LEU A 11 11.110 0.695 1.486 1.00 54.05 C ATOM 157 C LEU A 11 12.588 0.815 1.096 1.00 23.35 C ATOM 158 O LEU A 11 13.256 1.777 1.495 1.00 11.23 O ATOM 159 CB LEU A 11 10.219 1.395 0.441 1.00 55.14 C ATOM 160 CG LEU A 11 8.777 0.855 0.384 1.00 11.01 C ATOM 161 CD1 LEU A 11 8.042 0.934 1.725 1.00 52.03 C ATOM 162 CD2 LEU A 11 7.953 1.684 -0.598 1.00 31.33 C ATOM 0 H LEU A 11 10.246 2.040 2.814 1.00 4.34 H new ATOM 0 HA LEU A 11 10.847 -0.363 1.508 1.00 54.05 H new ATOM 0 HB2 LEU A 11 10.188 2.462 0.661 1.00 55.14 H new ATOM 0 HB3 LEU A 11 10.676 1.286 -0.543 1.00 55.14 H new ATOM 0 HG LEU A 11 8.870 -0.189 0.086 1.00 11.01 H new ATOM 0 HD11 LEU A 11 7.033 0.537 1.611 1.00 52.03 H new ATOM 0 HD12 LEU A 11 8.580 0.348 2.470 1.00 52.03 H new ATOM 0 HD13 LEU A 11 7.988 1.973 2.050 1.00 52.03 H new ATOM 0 HD21 LEU A 11 6.934 1.298 -0.635 1.00 31.33 H new ATOM 0 HD22 LEU A 11 7.936 2.724 -0.271 1.00 31.33 H new ATOM 0 HD23 LEU A 11 8.400 1.623 -1.590 1.00 31.33 H new ATOM 174 N PRO A 12 13.096 -0.139 0.299 1.00 70.12 N ATOM 175 CA PRO A 12 14.476 -0.153 -0.165 1.00 23.25 C ATOM 176 C PRO A 12 14.730 1.005 -1.125 1.00 13.01 C ATOM 177 O PRO A 12 13.826 1.404 -1.855 1.00 2.12 O ATOM 178 CB PRO A 12 14.658 -1.501 -0.883 1.00 12.12 C ATOM 179 CG PRO A 12 13.241 -1.946 -1.236 1.00 4.22 C ATOM 180 CD PRO A 12 12.360 -1.290 -0.194 1.00 15.50 C ATOM 0 HA PRO A 12 15.179 -0.039 0.660 1.00 23.25 H new ATOM 0 HB2 PRO A 12 15.274 -1.394 -1.776 1.00 12.12 H new ATOM 0 HB3 PRO A 12 15.153 -2.229 -0.240 1.00 12.12 H new ATOM 0 HG2 PRO A 12 12.966 -1.630 -2.242 1.00 4.22 H new ATOM 0 HG3 PRO A 12 13.148 -3.032 -1.206 1.00 4.22 H new ATOM 0 HD2 PRO A 12 11.407 -0.985 -0.627 1.00 15.50 H new ATOM 0 HD3 PRO A 12 12.135 -1.983 0.616 1.00 15.50 H new ATOM 188 N ARG A 13 15.963 1.515 -1.191 1.00 64.14 N ATOM 189 CA ARG A 13 16.273 2.614 -2.112 1.00 53.31 C ATOM 190 C ARG A 13 16.093 2.185 -3.570 1.00 73.31 C ATOM 191 O ARG A 13 15.735 3.024 -4.389 1.00 43.13 O ATOM 192 CB ARG A 13 17.708 3.139 -1.926 1.00 3.14 C ATOM 193 CG ARG A 13 17.838 4.383 -1.034 1.00 25.31 C ATOM 194 CD ARG A 13 17.763 4.089 0.473 1.00 44.34 C ATOM 195 NE ARG A 13 18.576 5.048 1.245 1.00 21.22 N ATOM 196 CZ ARG A 13 19.917 5.074 1.273 1.00 11.42 C ATOM 197 NH1 ARG A 13 20.629 4.082 0.747 1.00 3.34 N ATOM 198 NH2 ARG A 13 20.542 6.104 1.824 1.00 20.13 N ATOM 0 H ARG A 13 16.751 1.192 -0.629 1.00 64.14 H new ATOM 0 HA ARG A 13 15.572 3.414 -1.875 1.00 53.31 H new ATOM 0 HB2 ARG A 13 18.318 2.341 -1.501 1.00 3.14 H new ATOM 0 HB3 ARG A 13 18.124 3.370 -2.907 1.00 3.14 H new ATOM 0 HG2 ARG A 13 18.787 4.874 -1.250 1.00 25.31 H new ATOM 0 HG3 ARG A 13 17.048 5.087 -1.295 1.00 25.31 H new ATOM 0 HD2 ARG A 13 16.726 4.138 0.805 1.00 44.34 H new ATOM 0 HD3 ARG A 13 18.112 3.074 0.666 1.00 44.34 H new ATOM 0 HE ARG A 13 18.080 5.745 1.800 1.00 21.22 H new ATOM 0 HH11 ARG A 13 20.156 3.288 0.315 1.00 3.34 H new ATOM 0 HH12 ARG A 13 21.648 4.115 0.775 1.00 3.34 H new ATOM 0 HH21 ARG A 13 20.004 6.872 2.224 1.00 20.13 H new ATOM 0 HH22 ARG A 13 21.561 6.129 1.848 1.00 20.13 H new ATOM 212 N ASP A 14 16.303 0.905 -3.895 1.00 62.12 N ATOM 213 CA ASP A 14 16.178 0.392 -5.265 1.00 52.34 C ATOM 214 C ASP A 14 14.774 -0.108 -5.628 1.00 73.02 C ATOM 215 O ASP A 14 14.609 -0.811 -6.625 1.00 42.22 O ATOM 216 CB ASP A 14 17.275 -0.633 -5.578 1.00 23.54 C ATOM 217 CG ASP A 14 17.959 -0.278 -6.898 1.00 74.24 C ATOM 218 OD1 ASP A 14 18.670 0.752 -6.907 1.00 4.11 O ATOM 219 OD2 ASP A 14 17.770 -0.981 -7.920 1.00 42.23 O ATOM 0 H ASP A 14 16.565 0.193 -3.214 1.00 62.12 H new ATOM 0 HA ASP A 14 16.331 1.250 -5.920 1.00 52.34 H new ATOM 0 HB2 ASP A 14 18.008 -0.651 -4.772 1.00 23.54 H new ATOM 0 HB3 ASP A 14 16.844 -1.632 -5.639 1.00 23.54 H new ATOM 224 N ILE A 15 13.769 0.184 -4.796 1.00 2.21 N ATOM 225 CA ILE A 15 12.371 -0.188 -5.009 1.00 74.33 C ATOM 226 C ILE A 15 11.885 0.312 -6.383 1.00 2.50 C ATOM 227 O ILE A 15 12.280 1.400 -6.813 1.00 72.22 O ATOM 228 CB ILE A 15 11.539 0.405 -3.853 1.00 41.05 C ATOM 229 CG1 ILE A 15 10.073 -0.044 -3.869 1.00 42.15 C ATOM 230 CG2 ILE A 15 11.584 1.936 -3.848 1.00 73.14 C ATOM 231 CD1 ILE A 15 9.848 -1.492 -3.449 1.00 31.01 C ATOM 0 H ILE A 15 13.913 0.702 -3.929 1.00 2.21 H new ATOM 0 HA ILE A 15 12.257 -1.272 -5.013 1.00 74.33 H new ATOM 0 HB ILE A 15 12.004 0.018 -2.946 1.00 41.05 H new ATOM 0 HG12 ILE A 15 9.501 0.606 -3.207 1.00 42.15 H new ATOM 0 HG13 ILE A 15 9.675 0.095 -4.874 1.00 42.15 H new ATOM 0 HG21 ILE A 15 10.986 2.315 -3.019 1.00 73.14 H new ATOM 0 HG22 ILE A 15 12.615 2.269 -3.733 1.00 73.14 H new ATOM 0 HG23 ILE A 15 11.183 2.315 -4.788 1.00 73.14 H new ATOM 0 HD11 ILE A 15 8.783 -1.722 -3.490 1.00 31.01 H new ATOM 0 HD12 ILE A 15 10.389 -2.155 -4.125 1.00 31.01 H new ATOM 0 HD13 ILE A 15 10.211 -1.636 -2.431 1.00 31.01 H new ATOM 243 N THR A 16 10.969 -0.415 -7.026 1.00 24.32 N ATOM 244 CA THR A 16 10.420 -0.048 -8.325 1.00 4.12 C ATOM 245 C THR A 16 8.894 -0.056 -8.291 1.00 31.52 C ATOM 246 O THR A 16 8.275 -0.739 -7.466 1.00 43.13 O ATOM 247 CB THR A 16 10.964 -1.007 -9.389 1.00 42.33 C ATOM 248 OG1 THR A 16 10.547 -2.314 -9.073 1.00 5.43 O ATOM 249 CG2 THR A 16 12.486 -1.000 -9.497 1.00 3.35 C ATOM 0 H THR A 16 10.586 -1.283 -6.652 1.00 24.32 H new ATOM 0 HA THR A 16 10.728 0.967 -8.577 1.00 4.12 H new ATOM 0 HB THR A 16 10.572 -0.670 -10.349 1.00 42.33 H new ATOM 0 HG1 THR A 16 10.855 -2.547 -8.172 1.00 5.43 H new ATOM 0 HG21 THR A 16 12.799 -1.702 -10.270 1.00 3.35 H new ATOM 0 HG22 THR A 16 12.828 0.002 -9.757 1.00 3.35 H new ATOM 0 HG23 THR A 16 12.920 -1.295 -8.541 1.00 3.35 H new ATOM 257 N ALA A 17 8.267 0.687 -9.207 1.00 62.30 N ATOM 258 CA ALA A 17 6.815 0.748 -9.312 1.00 45.15 C ATOM 259 C ALA A 17 6.265 -0.627 -9.689 1.00 62.01 C ATOM 260 O ALA A 17 5.161 -0.975 -9.273 1.00 10.43 O ATOM 261 CB ALA A 17 6.417 1.776 -10.374 1.00 5.01 C ATOM 0 H ALA A 17 8.755 1.261 -9.894 1.00 62.30 H new ATOM 0 HA ALA A 17 6.398 1.047 -8.350 1.00 45.15 H new ATOM 0 HB1 ALA A 17 5.330 1.819 -10.450 1.00 5.01 H new ATOM 0 HB2 ALA A 17 6.800 2.757 -10.093 1.00 5.01 H new ATOM 0 HB3 ALA A 17 6.837 1.485 -11.337 1.00 5.01 H new ATOM 267 N VAL A 18 7.020 -1.412 -10.466 1.00 53.11 N ATOM 268 CA VAL A 18 6.584 -2.741 -10.873 1.00 25.52 C ATOM 269 C VAL A 18 6.438 -3.627 -9.641 1.00 11.10 C ATOM 270 O VAL A 18 5.436 -4.334 -9.508 1.00 64.14 O ATOM 271 CB VAL A 18 7.490 -3.352 -11.974 1.00 24.23 C ATOM 272 CG1 VAL A 18 8.992 -3.142 -11.749 1.00 5.41 C ATOM 273 CG2 VAL A 18 7.232 -4.854 -12.191 1.00 60.15 C ATOM 0 H VAL A 18 7.937 -1.144 -10.823 1.00 53.11 H new ATOM 0 HA VAL A 18 5.604 -2.663 -11.343 1.00 25.52 H new ATOM 0 HB VAL A 18 7.205 -2.796 -12.868 1.00 24.23 H new ATOM 0 HG11 VAL A 18 9.550 -3.601 -12.565 1.00 5.41 H new ATOM 0 HG12 VAL A 18 9.209 -2.074 -11.716 1.00 5.41 H new ATOM 0 HG13 VAL A 18 9.286 -3.601 -10.805 1.00 5.41 H new ATOM 0 HG21 VAL A 18 7.894 -5.228 -12.972 1.00 60.15 H new ATOM 0 HG22 VAL A 18 7.424 -5.394 -11.264 1.00 60.15 H new ATOM 0 HG23 VAL A 18 6.195 -5.005 -12.491 1.00 60.15 H new ATOM 283 N GLU A 19 7.409 -3.577 -8.731 1.00 3.22 N ATOM 284 CA GLU A 19 7.381 -4.387 -7.528 1.00 1.32 C ATOM 285 C GLU A 19 6.310 -3.877 -6.582 1.00 32.53 C ATOM 286 O GLU A 19 5.670 -4.685 -5.907 1.00 63.32 O ATOM 287 CB GLU A 19 8.750 -4.354 -6.867 1.00 35.04 C ATOM 288 CG GLU A 19 9.778 -5.067 -7.757 1.00 24.24 C ATOM 289 CD GLU A 19 11.194 -4.728 -7.327 1.00 72.21 C ATOM 290 OE1 GLU A 19 11.457 -3.588 -6.887 1.00 43.34 O ATOM 291 OE2 GLU A 19 12.020 -5.664 -7.250 1.00 10.21 O ATOM 0 H GLU A 19 8.229 -2.976 -8.811 1.00 3.22 H new ATOM 0 HA GLU A 19 7.140 -5.418 -7.786 1.00 1.32 H new ATOM 0 HB2 GLU A 19 9.057 -3.322 -6.698 1.00 35.04 H new ATOM 0 HB3 GLU A 19 8.704 -4.837 -5.891 1.00 35.04 H new ATOM 0 HG2 GLU A 19 9.626 -6.145 -7.704 1.00 24.24 H new ATOM 0 HG3 GLU A 19 9.630 -4.775 -8.797 1.00 24.24 H new ATOM 298 N LEU A 20 6.095 -2.560 -6.510 1.00 32.31 N ATOM 299 CA LEU A 20 5.062 -2.018 -5.640 1.00 24.31 C ATOM 300 C LEU A 20 3.720 -2.521 -6.121 1.00 63.13 C ATOM 301 O LEU A 20 2.920 -2.970 -5.297 1.00 13.41 O ATOM 302 CB LEU A 20 5.075 -0.489 -5.597 1.00 1.44 C ATOM 303 CG LEU A 20 6.170 0.098 -4.698 1.00 41.22 C ATOM 304 CD1 LEU A 20 5.978 1.608 -4.654 1.00 53.44 C ATOM 305 CD2 LEU A 20 6.132 -0.410 -3.254 1.00 33.11 C ATOM 0 H LEU A 20 6.618 -1.862 -7.039 1.00 32.31 H new ATOM 0 HA LEU A 20 5.256 -2.356 -4.622 1.00 24.31 H new ATOM 0 HB2 LEU A 20 5.207 -0.108 -6.610 1.00 1.44 H new ATOM 0 HB3 LEU A 20 4.104 -0.137 -5.248 1.00 1.44 H new ATOM 0 HG LEU A 20 7.125 -0.208 -5.124 1.00 41.22 H new ATOM 0 HD11 LEU A 20 6.745 2.054 -4.020 1.00 53.44 H new ATOM 0 HD12 LEU A 20 6.059 2.015 -5.662 1.00 53.44 H new ATOM 0 HD13 LEU A 20 4.993 1.838 -4.248 1.00 53.44 H new ATOM 0 HD21 LEU A 20 6.938 0.052 -2.684 1.00 33.11 H new ATOM 0 HD22 LEU A 20 5.174 -0.152 -2.803 1.00 33.11 H new ATOM 0 HD23 LEU A 20 6.257 -1.493 -3.246 1.00 33.11 H new ATOM 317 N GLN A 21 3.467 -2.457 -7.432 1.00 4.01 N ATOM 318 CA GLN A 21 2.219 -2.945 -7.977 1.00 51.44 C ATOM 319 C GLN A 21 2.091 -4.409 -7.608 1.00 52.31 C ATOM 320 O GLN A 21 1.076 -4.789 -7.052 1.00 2.24 O ATOM 321 CB GLN A 21 2.146 -2.802 -9.498 1.00 5.22 C ATOM 322 CG GLN A 21 1.839 -1.376 -9.929 1.00 2.50 C ATOM 323 CD GLN A 21 1.342 -1.343 -11.361 1.00 54.00 C ATOM 324 OE1 GLN A 21 2.094 -1.615 -12.294 1.00 33.41 O ATOM 325 NE2 GLN A 21 0.077 -1.024 -11.551 1.00 22.25 N ATOM 0 H GLN A 21 4.112 -2.073 -8.123 1.00 4.01 H new ATOM 0 HA GLN A 21 1.406 -2.350 -7.561 1.00 51.44 H new ATOM 0 HB2 GLN A 21 3.093 -3.116 -9.936 1.00 5.22 H new ATOM 0 HB3 GLN A 21 1.378 -3.470 -9.887 1.00 5.22 H new ATOM 0 HG2 GLN A 21 1.087 -0.945 -9.268 1.00 2.50 H new ATOM 0 HG3 GLN A 21 2.735 -0.762 -9.836 1.00 2.50 H new ATOM 0 HE21 GLN A 21 -0.519 -0.804 -10.753 1.00 22.25 H new ATOM 0 HE22 GLN A 21 -0.306 -0.997 -12.496 1.00 22.25 H new ATOM 334 N ASN A 22 3.122 -5.213 -7.857 1.00 41.44 N ATOM 335 CA ASN A 22 3.114 -6.639 -7.570 1.00 3.41 C ATOM 336 C ASN A 22 2.788 -6.967 -6.110 1.00 40.44 C ATOM 337 O ASN A 22 1.978 -7.857 -5.857 1.00 75.12 O ATOM 338 CB ASN A 22 4.484 -7.218 -7.944 1.00 53.51 C ATOM 339 CG ASN A 22 4.522 -8.722 -7.762 1.00 21.31 C ATOM 340 OD1 ASN A 22 3.648 -9.437 -8.247 1.00 14.13 O ATOM 341 ND2 ASN A 22 5.537 -9.244 -7.092 1.00 22.31 N ATOM 0 H ASN A 22 3.996 -4.885 -8.269 1.00 41.44 H new ATOM 0 HA ASN A 22 2.319 -7.090 -8.164 1.00 3.41 H new ATOM 0 HB2 ASN A 22 4.714 -6.970 -8.980 1.00 53.51 H new ATOM 0 HB3 ASN A 22 5.255 -6.757 -7.327 1.00 53.51 H new ATOM 0 HD21 ASN A 22 5.603 -10.255 -6.972 1.00 22.31 H new ATOM 0 HD22 ASN A 22 6.254 -8.636 -6.696 1.00 22.31 H new ATOM 348 N HIS A 23 3.367 -6.258 -5.140 1.00 14.53 N ATOM 349 CA HIS A 23 3.114 -6.535 -3.724 1.00 25.21 C ATOM 350 C HIS A 23 1.686 -6.236 -3.269 1.00 63.04 C ATOM 351 O HIS A 23 1.175 -6.920 -2.386 1.00 71.55 O ATOM 352 CB HIS A 23 4.141 -5.828 -2.830 1.00 4.32 C ATOM 353 CG HIS A 23 5.116 -6.814 -2.261 1.00 45.41 C ATOM 354 ND1 HIS A 23 6.322 -7.159 -2.862 1.00 53.20 N ATOM 355 CD2 HIS A 23 4.908 -7.595 -1.166 1.00 35.45 C ATOM 356 CE1 HIS A 23 6.832 -8.136 -2.096 1.00 2.41 C ATOM 357 NE2 HIS A 23 6.005 -8.426 -1.075 1.00 4.12 N ATOM 0 H HIS A 23 4.014 -5.488 -5.308 1.00 14.53 H new ATOM 0 HA HIS A 23 3.232 -7.613 -3.614 1.00 25.21 H new ATOM 0 HB2 HIS A 23 4.675 -5.073 -3.407 1.00 4.32 H new ATOM 0 HB3 HIS A 23 3.629 -5.307 -2.021 1.00 4.32 H new ATOM 0 HD2 HIS A 23 4.056 -7.569 -0.503 1.00 35.45 H new ATOM 0 HE1 HIS A 23 7.779 -8.624 -2.275 1.00 2.41 H new ATOM 0 HE2 HIS A 23 6.162 -9.136 -0.359 1.00 4.12 H new ATOM 365 N PHE A 24 1.011 -5.261 -3.878 1.00 74.22 N ATOM 366 CA PHE A 24 -0.365 -4.881 -3.526 1.00 64.10 C ATOM 367 C PHE A 24 -1.367 -5.215 -4.627 1.00 72.55 C ATOM 368 O PHE A 24 -2.552 -4.928 -4.481 1.00 10.42 O ATOM 369 CB PHE A 24 -0.409 -3.411 -3.106 1.00 44.44 C ATOM 370 CG PHE A 24 0.438 -3.091 -1.888 1.00 1.24 C ATOM 371 CD1 PHE A 24 -0.075 -3.312 -0.595 1.00 24.44 C ATOM 372 CD2 PHE A 24 1.728 -2.547 -2.040 1.00 51.21 C ATOM 373 CE1 PHE A 24 0.696 -2.982 0.535 1.00 11.43 C ATOM 374 CE2 PHE A 24 2.486 -2.189 -0.915 1.00 23.15 C ATOM 375 CZ PHE A 24 1.977 -2.424 0.375 1.00 54.22 C ATOM 0 H PHE A 24 1.404 -4.705 -4.637 1.00 74.22 H new ATOM 0 HA PHE A 24 -0.676 -5.483 -2.672 1.00 64.10 H new ATOM 0 HB2 PHE A 24 -0.074 -2.795 -3.941 1.00 44.44 H new ATOM 0 HB3 PHE A 24 -1.443 -3.133 -2.900 1.00 44.44 H new ATOM 0 HD1 PHE A 24 -1.061 -3.735 -0.471 1.00 24.44 H new ATOM 0 HD2 PHE A 24 2.137 -2.404 -3.029 1.00 51.21 H new ATOM 0 HE1 PHE A 24 0.304 -3.157 1.526 1.00 11.43 H new ATOM 0 HE2 PHE A 24 3.458 -1.734 -1.039 1.00 23.15 H new ATOM 0 HZ PHE A 24 2.570 -2.176 1.243 1.00 54.22 H new ATOM 385 N LYS A 25 -0.949 -5.900 -5.688 1.00 61.31 N ATOM 386 CA LYS A 25 -1.779 -6.285 -6.829 1.00 2.15 C ATOM 387 C LYS A 25 -3.013 -7.052 -6.362 1.00 42.25 C ATOM 388 O LYS A 25 -4.124 -6.734 -6.784 1.00 23.23 O ATOM 389 CB LYS A 25 -0.899 -7.043 -7.850 1.00 42.04 C ATOM 390 CG LYS A 25 -0.703 -6.268 -9.167 1.00 33.23 C ATOM 391 CD LYS A 25 -1.873 -6.535 -10.109 1.00 52.45 C ATOM 392 CE LYS A 25 -1.884 -5.668 -11.373 1.00 21.24 C ATOM 393 NZ LYS A 25 -0.804 -5.986 -12.326 1.00 34.13 N ATOM 0 H LYS A 25 0.016 -6.216 -5.781 1.00 61.31 H new ATOM 0 HA LYS A 25 -2.174 -5.408 -7.341 1.00 2.15 H new ATOM 0 HB2 LYS A 25 0.075 -7.243 -7.404 1.00 42.04 H new ATOM 0 HB3 LYS A 25 -1.354 -8.009 -8.068 1.00 42.04 H new ATOM 0 HG2 LYS A 25 -0.627 -5.200 -8.962 1.00 33.23 H new ATOM 0 HG3 LYS A 25 0.232 -6.569 -9.640 1.00 33.23 H new ATOM 0 HD2 LYS A 25 -1.853 -7.584 -10.404 1.00 52.45 H new ATOM 0 HD3 LYS A 25 -2.804 -6.374 -9.566 1.00 52.45 H new ATOM 0 HE2 LYS A 25 -2.844 -5.787 -11.875 1.00 21.24 H new ATOM 0 HE3 LYS A 25 -1.803 -4.620 -11.084 1.00 21.24 H new ATOM 0 HZ1 LYS A 25 -0.876 -5.360 -13.154 1.00 34.13 H new ATOM 0 HZ2 LYS A 25 0.118 -5.846 -11.865 1.00 34.13 H new ATOM 0 HZ3 LYS A 25 -0.891 -6.976 -12.632 1.00 34.13 H new ATOM 407 N ASN A 26 -2.838 -7.981 -5.418 1.00 24.54 N ATOM 408 CA ASN A 26 -3.927 -8.788 -4.865 1.00 40.35 C ATOM 409 C ASN A 26 -4.987 -7.913 -4.176 1.00 61.14 C ATOM 410 O ASN A 26 -6.177 -8.226 -4.237 1.00 4.22 O ATOM 411 CB ASN A 26 -3.360 -9.857 -3.910 1.00 63.05 C ATOM 412 CG ASN A 26 -4.081 -11.191 -4.046 1.00 51.32 C ATOM 413 OD1 ASN A 26 -4.582 -11.759 -3.077 1.00 61.25 O ATOM 414 ND2 ASN A 26 -4.069 -11.777 -5.230 1.00 13.01 N ATOM 0 H ASN A 26 -1.927 -8.195 -5.013 1.00 24.54 H new ATOM 0 HA ASN A 26 -4.430 -9.297 -5.687 1.00 40.35 H new ATOM 0 HB2 ASN A 26 -2.298 -9.997 -4.114 1.00 63.05 H new ATOM 0 HB3 ASN A 26 -3.443 -9.504 -2.882 1.00 63.05 H new ATOM 0 HD21 ASN A 26 -4.477 -12.705 -5.344 1.00 13.01 H new ATOM 0 HD22 ASN A 26 -3.652 -11.301 -6.030 1.00 13.01 H new ATOM 421 N SER A 27 -4.562 -6.821 -3.527 1.00 50.10 N ATOM 422 CA SER A 27 -5.415 -5.849 -2.837 1.00 10.11 C ATOM 423 C SER A 27 -5.955 -4.784 -3.810 1.00 11.13 C ATOM 424 O SER A 27 -6.927 -4.114 -3.498 1.00 12.22 O ATOM 425 CB SER A 27 -4.651 -5.191 -1.673 1.00 31.44 C ATOM 426 OG SER A 27 -3.256 -5.098 -1.903 1.00 61.42 O ATOM 0 H SER A 27 -3.572 -6.582 -3.467 1.00 50.10 H new ATOM 0 HA SER A 27 -6.272 -6.385 -2.429 1.00 10.11 H new ATOM 0 HB2 SER A 27 -5.052 -4.192 -1.502 1.00 31.44 H new ATOM 0 HB3 SER A 27 -4.825 -5.764 -0.762 1.00 31.44 H new ATOM 0 HG SER A 27 -3.096 -4.744 -2.803 1.00 61.42 H new ATOM 432 N SER A 28 -5.359 -4.632 -4.991 1.00 1.05 N ATOM 433 CA SER A 28 -5.740 -3.697 -6.049 1.00 11.34 C ATOM 434 C SER A 28 -5.844 -2.203 -5.640 1.00 64.11 C ATOM 435 O SER A 28 -6.951 -1.667 -5.557 1.00 12.23 O ATOM 436 CB SER A 28 -7.019 -4.191 -6.751 1.00 74.34 C ATOM 437 OG SER A 28 -7.193 -5.602 -6.715 1.00 10.24 O ATOM 0 H SER A 28 -4.547 -5.192 -5.251 1.00 1.05 H new ATOM 0 HA SER A 28 -4.903 -3.700 -6.747 1.00 11.34 H new ATOM 0 HB2 SER A 28 -7.883 -3.717 -6.285 1.00 74.34 H new ATOM 0 HB3 SER A 28 -6.999 -3.865 -7.791 1.00 74.34 H new ATOM 0 HG SER A 28 -6.327 -6.042 -6.846 1.00 10.24 H new ATOM 443 N PRO A 29 -4.717 -1.504 -5.404 1.00 20.35 N ATOM 444 CA PRO A 29 -4.718 -0.081 -5.054 1.00 34.14 C ATOM 445 C PRO A 29 -5.174 0.759 -6.254 1.00 73.04 C ATOM 446 O PRO A 29 -5.156 0.309 -7.404 1.00 33.23 O ATOM 447 CB PRO A 29 -3.278 0.237 -4.646 1.00 43.40 C ATOM 448 CG PRO A 29 -2.462 -0.781 -5.440 1.00 11.22 C ATOM 449 CD PRO A 29 -3.356 -2.012 -5.457 1.00 60.52 C ATOM 0 HA PRO A 29 -5.410 0.151 -4.244 1.00 34.14 H new ATOM 0 HB2 PRO A 29 -3.003 1.261 -4.900 1.00 43.40 H new ATOM 0 HB3 PRO A 29 -3.129 0.124 -3.572 1.00 43.40 H new ATOM 0 HG2 PRO A 29 -2.248 -0.426 -6.448 1.00 11.22 H new ATOM 0 HG3 PRO A 29 -1.503 -0.987 -4.964 1.00 11.22 H new ATOM 0 HD2 PRO A 29 -3.193 -2.603 -6.358 1.00 60.52 H new ATOM 0 HD3 PRO A 29 -3.146 -2.661 -4.607 1.00 60.52 H new ATOM 457 N ASP A 30 -5.581 1.994 -5.992 1.00 2.24 N ATOM 458 CA ASP A 30 -6.048 2.965 -6.967 1.00 2.31 C ATOM 459 C ASP A 30 -4.866 3.772 -7.462 1.00 63.13 C ATOM 460 O ASP A 30 -4.670 3.939 -8.672 1.00 2.52 O ATOM 461 CB ASP A 30 -7.022 3.961 -6.320 1.00 14.42 C ATOM 462 CG ASP A 30 -7.482 4.979 -7.369 1.00 24.43 C ATOM 463 OD1 ASP A 30 -8.058 4.530 -8.387 1.00 61.23 O ATOM 464 OD2 ASP A 30 -7.223 6.194 -7.195 1.00 21.25 O ATOM 0 H ASP A 30 -5.594 2.363 -5.041 1.00 2.24 H new ATOM 0 HA ASP A 30 -6.541 2.424 -7.774 1.00 2.31 H new ATOM 0 HB2 ASP A 30 -7.882 3.431 -5.910 1.00 14.42 H new ATOM 0 HB3 ASP A 30 -6.537 4.473 -5.489 1.00 14.42 H new ATOM 469 N GLN A 31 -4.045 4.224 -6.509 1.00 52.13 N ATOM 470 CA GLN A 31 -2.885 5.046 -6.789 1.00 64.21 C ATOM 471 C GLN A 31 -1.638 4.544 -6.086 1.00 12.24 C ATOM 472 O GLN A 31 -1.731 3.837 -5.082 1.00 51.02 O ATOM 473 CB GLN A 31 -3.204 6.497 -6.401 1.00 53.24 C ATOM 474 CG GLN A 31 -2.537 7.546 -7.290 1.00 73.32 C ATOM 475 CD GLN A 31 -3.012 7.448 -8.736 1.00 4.21 C ATOM 476 OE1 GLN A 31 -2.412 6.751 -9.553 1.00 54.51 O ATOM 477 NE2 GLN A 31 -4.118 8.081 -9.068 1.00 35.31 N ATOM 0 H GLN A 31 -4.176 4.023 -5.518 1.00 52.13 H new ATOM 0 HA GLN A 31 -2.667 4.991 -7.855 1.00 64.21 H new ATOM 0 HB2 GLN A 31 -4.284 6.641 -6.436 1.00 53.24 H new ATOM 0 HB3 GLN A 31 -2.894 6.662 -5.369 1.00 53.24 H new ATOM 0 HG2 GLN A 31 -2.754 8.542 -6.903 1.00 73.32 H new ATOM 0 HG3 GLN A 31 -1.455 7.419 -7.253 1.00 73.32 H new ATOM 0 HE21 GLN A 31 -4.604 8.655 -8.379 1.00 35.31 H new ATOM 0 HE22 GLN A 31 -4.489 7.997 -10.014 1.00 35.31 H new ATOM 486 N ILE A 32 -0.474 4.900 -6.638 1.00 14.21 N ATOM 487 CA ILE A 32 0.837 4.518 -6.134 1.00 54.01 C ATOM 488 C ILE A 32 1.796 5.675 -6.428 1.00 72.01 C ATOM 489 O ILE A 32 1.891 6.096 -7.589 1.00 33.44 O ATOM 490 CB ILE A 32 1.342 3.201 -6.780 1.00 24.03 C ATOM 491 CG1 ILE A 32 0.277 2.083 -6.778 1.00 73.13 C ATOM 492 CG2 ILE A 32 2.603 2.685 -6.056 1.00 62.04 C ATOM 493 CD1 ILE A 32 0.647 0.913 -7.678 1.00 10.24 C ATOM 0 H ILE A 32 -0.423 5.481 -7.475 1.00 14.21 H new ATOM 0 HA ILE A 32 0.780 4.328 -5.062 1.00 54.01 H new ATOM 0 HB ILE A 32 1.573 3.446 -7.817 1.00 24.03 H new ATOM 0 HG12 ILE A 32 0.138 1.722 -5.759 1.00 73.13 H new ATOM 0 HG13 ILE A 32 -0.678 2.497 -7.102 1.00 73.13 H new ATOM 0 HG21 ILE A 32 2.940 1.761 -6.526 1.00 62.04 H new ATOM 0 HG22 ILE A 32 3.392 3.434 -6.122 1.00 62.04 H new ATOM 0 HG23 ILE A 32 2.369 2.495 -5.008 1.00 62.04 H new ATOM 0 HD11 ILE A 32 -0.139 0.159 -7.636 1.00 10.24 H new ATOM 0 HD12 ILE A 32 0.758 1.264 -8.704 1.00 10.24 H new ATOM 0 HD13 ILE A 32 1.587 0.477 -7.340 1.00 10.24 H new ATOM 505 N ARG A 33 2.452 6.195 -5.387 1.00 72.44 N ATOM 506 CA ARG A 33 3.422 7.283 -5.383 1.00 32.33 C ATOM 507 C ARG A 33 4.553 6.863 -4.444 1.00 23.42 C ATOM 508 O ARG A 33 4.353 6.879 -3.224 1.00 11.21 O ATOM 509 CB ARG A 33 2.747 8.580 -4.884 1.00 41.14 C ATOM 510 CG ARG A 33 2.622 9.643 -5.976 1.00 71.14 C ATOM 511 CD ARG A 33 1.409 9.453 -6.883 1.00 61.22 C ATOM 512 NE ARG A 33 0.206 10.137 -6.383 1.00 42.15 N ATOM 513 CZ ARG A 33 -0.813 10.523 -7.162 1.00 72.53 C ATOM 514 NH1 ARG A 33 -0.854 10.183 -8.448 1.00 22.44 N ATOM 515 NH2 ARG A 33 -1.793 11.256 -6.648 1.00 32.32 N ATOM 0 H ARG A 33 2.302 5.831 -4.446 1.00 72.44 H new ATOM 0 HA ARG A 33 3.810 7.477 -6.383 1.00 32.33 H new ATOM 0 HB2 ARG A 33 1.755 8.343 -4.500 1.00 41.14 H new ATOM 0 HB3 ARG A 33 3.322 8.986 -4.052 1.00 41.14 H new ATOM 0 HG2 ARG A 33 2.564 10.626 -5.509 1.00 71.14 H new ATOM 0 HG3 ARG A 33 3.525 9.632 -6.586 1.00 71.14 H new ATOM 0 HD2 ARG A 33 1.645 9.826 -7.879 1.00 61.22 H new ATOM 0 HD3 ARG A 33 1.200 8.388 -6.983 1.00 61.22 H new ATOM 0 HE ARG A 33 0.144 10.329 -5.383 1.00 42.15 H new ATOM 0 HH11 ARG A 33 -0.104 9.622 -8.851 1.00 22.44 H new ATOM 0 HH12 ARG A 33 -1.636 10.483 -9.030 1.00 22.44 H new ATOM 0 HH21 ARG A 33 -1.768 11.523 -5.664 1.00 32.32 H new ATOM 0 HH22 ARG A 33 -2.571 11.552 -7.237 1.00 32.32 H new ATOM 529 N LEU A 34 5.710 6.467 -4.977 1.00 71.12 N ATOM 530 CA LEU A 34 6.867 6.028 -4.201 1.00 43.11 C ATOM 531 C LEU A 34 7.807 7.204 -3.942 1.00 33.43 C ATOM 532 O LEU A 34 8.398 7.764 -4.866 1.00 25.21 O ATOM 533 CB LEU A 34 7.559 4.861 -4.943 1.00 1.33 C ATOM 534 CG LEU A 34 8.769 4.147 -4.279 1.00 30.44 C ATOM 535 CD1 LEU A 34 10.069 4.838 -4.699 1.00 62.22 C ATOM 536 CD2 LEU A 34 8.680 4.152 -2.750 1.00 13.33 C ATOM 0 H LEU A 34 5.871 6.443 -5.984 1.00 71.12 H new ATOM 0 HA LEU A 34 6.553 5.661 -3.224 1.00 43.11 H new ATOM 0 HB2 LEU A 34 6.801 4.104 -5.141 1.00 1.33 H new ATOM 0 HB3 LEU A 34 7.892 5.239 -5.909 1.00 1.33 H new ATOM 0 HG LEU A 34 8.755 3.110 -4.615 1.00 30.44 H new ATOM 0 HD11 LEU A 34 10.916 4.335 -4.232 1.00 62.22 H new ATOM 0 HD12 LEU A 34 10.172 4.791 -5.783 1.00 62.22 H new ATOM 0 HD13 LEU A 34 10.046 5.880 -4.382 1.00 62.22 H new ATOM 0 HD21 LEU A 34 9.548 3.641 -2.333 1.00 13.33 H new ATOM 0 HD22 LEU A 34 8.657 5.181 -2.390 1.00 13.33 H new ATOM 0 HD23 LEU A 34 7.772 3.637 -2.437 1.00 13.33 H new ATOM 548 N ARG A 35 7.924 7.631 -2.681 1.00 23.10 N ATOM 549 CA ARG A 35 8.821 8.715 -2.284 1.00 34.11 C ATOM 550 C ARG A 35 10.085 8.045 -1.753 1.00 42.45 C ATOM 551 O ARG A 35 10.238 7.874 -0.535 1.00 71.24 O ATOM 552 CB ARG A 35 8.177 9.663 -1.253 1.00 42.14 C ATOM 553 CG ARG A 35 7.174 10.658 -1.856 1.00 64.13 C ATOM 554 CD ARG A 35 5.768 10.072 -2.021 1.00 2.20 C ATOM 555 NE ARG A 35 4.857 11.020 -2.679 1.00 35.34 N ATOM 556 CZ ARG A 35 4.194 12.070 -2.178 1.00 5.21 C ATOM 557 NH1 ARG A 35 4.231 12.355 -0.884 1.00 44.53 N ATOM 558 NH2 ARG A 35 3.483 12.846 -2.984 1.00 70.14 N ATOM 0 H ARG A 35 7.396 7.231 -1.905 1.00 23.10 H new ATOM 0 HA ARG A 35 9.052 9.359 -3.133 1.00 34.11 H new ATOM 0 HB2 ARG A 35 7.670 9.067 -0.495 1.00 42.14 H new ATOM 0 HB3 ARG A 35 8.965 10.220 -0.746 1.00 42.14 H new ATOM 0 HG2 ARG A 35 7.120 11.541 -1.219 1.00 64.13 H new ATOM 0 HG3 ARG A 35 7.539 10.988 -2.828 1.00 64.13 H new ATOM 0 HD2 ARG A 35 5.823 9.154 -2.606 1.00 2.20 H new ATOM 0 HD3 ARG A 35 5.369 9.803 -1.043 1.00 2.20 H new ATOM 0 HE ARG A 35 4.706 10.851 -3.674 1.00 35.34 H new ATOM 0 HH11 ARG A 35 4.772 11.769 -0.248 1.00 44.53 H new ATOM 0 HH12 ARG A 35 3.718 13.160 -0.524 1.00 44.53 H new ATOM 0 HH21 ARG A 35 3.442 12.642 -3.983 1.00 70.14 H new ATOM 0 HH22 ARG A 35 2.977 13.647 -2.605 1.00 70.14 H new ATOM 572 N ALA A 36 10.998 7.655 -2.654 1.00 73.25 N ATOM 573 CA ALA A 36 12.257 6.998 -2.301 1.00 72.34 C ATOM 574 C ALA A 36 13.063 7.828 -1.297 1.00 3.42 C ATOM 575 O ALA A 36 13.705 7.250 -0.423 1.00 71.24 O ATOM 576 CB ALA A 36 13.094 6.712 -3.549 1.00 43.14 C ATOM 0 H ALA A 36 10.878 7.790 -3.658 1.00 73.25 H new ATOM 0 HA ALA A 36 12.006 6.049 -1.827 1.00 72.34 H new ATOM 0 HB1 ALA A 36 14.024 6.224 -3.259 1.00 43.14 H new ATOM 0 HB2 ALA A 36 12.535 6.060 -4.220 1.00 43.14 H new ATOM 0 HB3 ALA A 36 13.320 7.649 -4.058 1.00 43.14 H new ATOM 582 N ASP A 37 12.916 9.154 -1.339 1.00 3.32 N ATOM 583 CA ASP A 37 13.567 10.150 -0.486 1.00 20.22 C ATOM 584 C ASP A 37 13.421 9.834 1.003 1.00 2.01 C ATOM 585 O ASP A 37 14.305 10.157 1.798 1.00 70.13 O ATOM 586 CB ASP A 37 12.923 11.524 -0.746 1.00 72.23 C ATOM 587 CG ASP A 37 13.385 12.145 -2.056 1.00 43.41 C ATOM 588 OD1 ASP A 37 13.139 11.530 -3.113 1.00 74.15 O ATOM 589 OD2 ASP A 37 13.943 13.267 -2.020 1.00 64.23 O ATOM 0 H ASP A 37 12.294 9.591 -2.019 1.00 3.32 H new ATOM 0 HA ASP A 37 14.629 10.144 -0.732 1.00 20.22 H new ATOM 0 HB2 ASP A 37 11.838 11.416 -0.761 1.00 72.23 H new ATOM 0 HB3 ASP A 37 13.165 12.197 0.077 1.00 72.23 H new ATOM 594 N LYS A 38 12.303 9.218 1.392 1.00 52.03 N ATOM 595 CA LYS A 38 11.988 8.820 2.767 1.00 0.41 C ATOM 596 C LYS A 38 11.732 7.304 2.836 1.00 61.52 C ATOM 597 O LYS A 38 11.591 6.753 3.927 1.00 12.40 O ATOM 598 CB LYS A 38 10.798 9.654 3.273 1.00 13.35 C ATOM 599 CG LYS A 38 11.117 11.135 3.552 1.00 43.13 C ATOM 600 CD LYS A 38 11.475 11.432 5.015 1.00 23.22 C ATOM 601 CE LYS A 38 10.240 11.618 5.914 1.00 35.22 C ATOM 602 NZ LYS A 38 9.550 12.904 5.665 1.00 20.11 N ATOM 0 H LYS A 38 11.564 8.973 0.734 1.00 52.03 H new ATOM 0 HA LYS A 38 12.833 9.020 3.425 1.00 0.41 H new ATOM 0 HB2 LYS A 38 9.997 9.602 2.535 1.00 13.35 H new ATOM 0 HB3 LYS A 38 10.418 9.200 4.188 1.00 13.35 H new ATOM 0 HG2 LYS A 38 11.947 11.443 2.916 1.00 43.13 H new ATOM 0 HG3 LYS A 38 10.256 11.741 3.269 1.00 43.13 H new ATOM 0 HD2 LYS A 38 12.082 10.616 5.407 1.00 23.22 H new ATOM 0 HD3 LYS A 38 12.087 12.333 5.057 1.00 23.22 H new ATOM 0 HE2 LYS A 38 9.544 10.796 5.745 1.00 35.22 H new ATOM 0 HE3 LYS A 38 10.544 11.568 6.960 1.00 35.22 H new ATOM 0 HZ1 LYS A 38 8.799 13.037 6.372 1.00 20.11 H new ATOM 0 HZ2 LYS A 38 10.234 13.684 5.735 1.00 20.11 H new ATOM 0 HZ3 LYS A 38 9.132 12.895 4.713 1.00 20.11 H new ATOM 616 N GLY A 39 11.722 6.616 1.692 1.00 61.13 N ATOM 617 CA GLY A 39 11.489 5.183 1.564 1.00 31.24 C ATOM 618 C GLY A 39 10.081 4.857 2.020 1.00 61.22 C ATOM 619 O GLY A 39 9.887 3.937 2.810 1.00 10.34 O ATOM 0 H GLY A 39 11.884 7.067 0.791 1.00 61.13 H new ATOM 0 HA2 GLY A 39 11.628 4.872 0.529 1.00 31.24 H new ATOM 0 HA3 GLY A 39 12.214 4.631 2.163 1.00 31.24 H new ATOM 623 N ILE A 40 9.101 5.622 1.548 1.00 11.44 N ATOM 624 CA ILE A 40 7.695 5.471 1.870 1.00 23.21 C ATOM 625 C ILE A 40 6.885 5.592 0.596 1.00 44.32 C ATOM 626 O ILE A 40 7.362 6.119 -0.410 1.00 71.25 O ATOM 627 CB ILE A 40 7.226 6.532 2.891 1.00 50.21 C ATOM 628 CG1 ILE A 40 7.866 7.892 2.611 1.00 45.54 C ATOM 629 CG2 ILE A 40 7.555 6.104 4.324 1.00 52.15 C ATOM 630 CD1 ILE A 40 7.130 9.089 3.219 1.00 50.34 C ATOM 0 H ILE A 40 9.277 6.394 0.905 1.00 11.44 H new ATOM 0 HA ILE A 40 7.547 4.491 2.323 1.00 23.21 H new ATOM 0 HB ILE A 40 6.145 6.620 2.785 1.00 50.21 H new ATOM 0 HG12 ILE A 40 8.888 7.881 2.991 1.00 45.54 H new ATOM 0 HG13 ILE A 40 7.928 8.032 1.532 1.00 45.54 H new ATOM 0 HG21 ILE A 40 7.213 6.870 5.020 1.00 52.15 H new ATOM 0 HG22 ILE A 40 7.054 5.162 4.546 1.00 52.15 H new ATOM 0 HG23 ILE A 40 8.632 5.975 4.427 1.00 52.15 H new ATOM 0 HD11 ILE A 40 7.659 10.008 2.966 1.00 50.34 H new ATOM 0 HD12 ILE A 40 6.116 9.133 2.821 1.00 50.34 H new ATOM 0 HD13 ILE A 40 7.090 8.979 4.303 1.00 50.34 H new ATOM 642 N ALA A 41 5.650 5.125 0.661 1.00 41.04 N ATOM 643 CA ALA A 41 4.704 5.144 -0.423 1.00 42.13 C ATOM 644 C ALA A 41 3.338 5.549 0.136 1.00 71.44 C ATOM 645 O ALA A 41 3.130 5.572 1.356 1.00 73.44 O ATOM 646 CB ALA A 41 4.708 3.756 -1.075 1.00 21.22 C ATOM 0 H ALA A 41 5.271 4.706 1.510 1.00 41.04 H new ATOM 0 HA ALA A 41 4.962 5.870 -1.194 1.00 42.13 H new ATOM 0 HB1 ALA A 41 3.998 3.741 -1.902 1.00 21.22 H new ATOM 0 HB2 ALA A 41 5.707 3.533 -1.450 1.00 21.22 H new ATOM 0 HB3 ALA A 41 4.422 3.007 -0.337 1.00 21.22 H new ATOM 652 N PHE A 42 2.419 5.891 -0.762 1.00 2.03 N ATOM 653 CA PHE A 42 1.047 6.288 -0.450 1.00 12.51 C ATOM 654 C PHE A 42 0.147 5.523 -1.401 1.00 65.53 C ATOM 655 O PHE A 42 0.122 5.813 -2.603 1.00 0.43 O ATOM 656 CB PHE A 42 0.836 7.792 -0.650 1.00 53.51 C ATOM 657 CG PHE A 42 1.564 8.663 0.342 1.00 33.02 C ATOM 658 CD1 PHE A 42 2.873 9.098 0.067 1.00 4.23 C ATOM 659 CD2 PHE A 42 0.929 9.037 1.539 1.00 25.45 C ATOM 660 CE1 PHE A 42 3.543 9.918 0.994 1.00 32.23 C ATOM 661 CE2 PHE A 42 1.588 9.895 2.434 1.00 13.45 C ATOM 662 CZ PHE A 42 2.884 10.347 2.155 1.00 31.31 C ATOM 0 H PHE A 42 2.615 5.900 -1.763 1.00 2.03 H new ATOM 0 HA PHE A 42 0.824 6.067 0.594 1.00 12.51 H new ATOM 0 HB2 PHE A 42 1.159 8.061 -1.656 1.00 53.51 H new ATOM 0 HB3 PHE A 42 -0.231 8.008 -0.589 1.00 53.51 H new ATOM 0 HD1 PHE A 42 3.361 8.804 -0.850 1.00 4.23 H new ATOM 0 HD2 PHE A 42 -0.059 8.667 1.769 1.00 25.45 H new ATOM 0 HE1 PHE A 42 4.565 10.217 0.811 1.00 32.23 H new ATOM 0 HE2 PHE A 42 1.093 10.208 3.342 1.00 13.45 H new ATOM 0 HZ PHE A 42 3.376 11.027 2.835 1.00 31.31 H new ATOM 672 N LEU A 43 -0.526 4.496 -0.899 1.00 1.32 N ATOM 673 CA LEU A 43 -1.406 3.664 -1.708 1.00 4.12 C ATOM 674 C LEU A 43 -2.829 4.038 -1.360 1.00 30.55 C ATOM 675 O LEU A 43 -3.232 3.898 -0.208 1.00 74.42 O ATOM 676 CB LEU A 43 -1.107 2.178 -1.496 1.00 24.31 C ATOM 677 CG LEU A 43 0.204 1.756 -2.188 1.00 65.25 C ATOM 678 CD1 LEU A 43 1.435 1.915 -1.290 1.00 31.40 C ATOM 679 CD2 LEU A 43 0.135 0.297 -2.617 1.00 62.41 C ATOM 0 H LEU A 43 -0.477 4.216 0.081 1.00 1.32 H new ATOM 0 HA LEU A 43 -1.243 3.839 -2.771 1.00 4.12 H new ATOM 0 HB2 LEU A 43 -1.038 1.969 -0.428 1.00 24.31 H new ATOM 0 HB3 LEU A 43 -1.932 1.582 -1.885 1.00 24.31 H new ATOM 0 HG LEU A 43 0.309 2.418 -3.047 1.00 65.25 H new ATOM 0 HD11 LEU A 43 2.326 1.602 -1.835 1.00 31.40 H new ATOM 0 HD12 LEU A 43 1.538 2.959 -0.996 1.00 31.40 H new ATOM 0 HD13 LEU A 43 1.318 1.297 -0.400 1.00 31.40 H new ATOM 0 HD21 LEU A 43 1.069 0.016 -3.104 1.00 62.41 H new ATOM 0 HD22 LEU A 43 -0.021 -0.333 -1.741 1.00 62.41 H new ATOM 0 HD23 LEU A 43 -0.692 0.161 -3.314 1.00 62.41 H new ATOM 691 N GLU A 44 -3.528 4.625 -2.322 1.00 1.44 N ATOM 692 CA GLU A 44 -4.902 5.079 -2.204 1.00 34.21 C ATOM 693 C GLU A 44 -5.828 3.953 -2.645 1.00 63.24 C ATOM 694 O GLU A 44 -5.430 3.148 -3.491 1.00 40.43 O ATOM 695 CB GLU A 44 -5.077 6.243 -3.177 1.00 21.30 C ATOM 696 CG GLU A 44 -4.346 7.516 -2.735 1.00 2.53 C ATOM 697 CD GLU A 44 -4.290 8.535 -3.874 1.00 70.10 C ATOM 698 OE1 GLU A 44 -5.326 8.780 -4.530 1.00 1.44 O ATOM 699 OE2 GLU A 44 -3.173 9.044 -4.135 1.00 33.22 O ATOM 0 H GLU A 44 -3.133 4.804 -3.245 1.00 1.44 H new ATOM 0 HA GLU A 44 -5.129 5.374 -1.180 1.00 34.21 H new ATOM 0 HB2 GLU A 44 -4.711 5.945 -4.160 1.00 21.30 H new ATOM 0 HB3 GLU A 44 -6.140 6.461 -3.285 1.00 21.30 H new ATOM 0 HG2 GLU A 44 -4.855 7.953 -1.875 1.00 2.53 H new ATOM 0 HG3 GLU A 44 -3.335 7.267 -2.414 1.00 2.53 H new ATOM 706 N PHE A 45 -7.060 3.927 -2.139 1.00 20.44 N ATOM 707 CA PHE A 45 -8.070 2.928 -2.457 1.00 4.32 C ATOM 708 C PHE A 45 -9.448 3.601 -2.392 1.00 41.32 C ATOM 709 O PHE A 45 -9.704 4.377 -1.465 1.00 63.51 O ATOM 710 CB PHE A 45 -7.994 1.778 -1.443 1.00 3.23 C ATOM 711 CG PHE A 45 -6.718 0.948 -1.421 1.00 34.41 C ATOM 712 CD1 PHE A 45 -5.543 1.433 -0.810 1.00 1.12 C ATOM 713 CD2 PHE A 45 -6.757 -0.389 -1.862 1.00 4.42 C ATOM 714 CE1 PHE A 45 -4.421 0.599 -0.662 1.00 25.34 C ATOM 715 CE2 PHE A 45 -5.653 -1.233 -1.664 1.00 61.33 C ATOM 716 CZ PHE A 45 -4.475 -0.740 -1.080 1.00 70.40 C ATOM 0 H PHE A 45 -7.390 4.626 -1.474 1.00 20.44 H new ATOM 0 HA PHE A 45 -7.903 2.521 -3.454 1.00 4.32 H new ATOM 0 HB2 PHE A 45 -8.141 2.196 -0.447 1.00 3.23 H new ATOM 0 HB3 PHE A 45 -8.830 1.105 -1.633 1.00 3.23 H new ATOM 0 HD1 PHE A 45 -5.505 2.452 -0.453 1.00 1.12 H new ATOM 0 HD2 PHE A 45 -7.641 -0.767 -2.355 1.00 4.42 H new ATOM 0 HE1 PHE A 45 -3.514 0.990 -0.225 1.00 25.34 H new ATOM 0 HE2 PHE A 45 -5.710 -2.269 -1.963 1.00 61.33 H new ATOM 0 HZ PHE A 45 -3.618 -1.385 -0.954 1.00 70.40 H new ATOM 726 N ASP A 46 -10.318 3.324 -3.370 1.00 0.00 N ATOM 727 CA ASP A 46 -11.676 3.871 -3.467 1.00 61.12 C ATOM 728 C ASP A 46 -12.725 2.870 -3.010 1.00 40.45 C ATOM 729 O ASP A 46 -12.918 1.824 -3.629 1.00 64.41 O ATOM 730 CB ASP A 46 -12.017 4.389 -4.865 1.00 63.44 C ATOM 731 CG ASP A 46 -13.490 4.817 -4.877 1.00 42.31 C ATOM 732 OD1 ASP A 46 -13.919 5.490 -3.906 1.00 4.02 O ATOM 733 OD2 ASP A 46 -14.224 4.373 -5.785 1.00 75.10 O ATOM 0 H ASP A 46 -10.089 2.694 -4.139 1.00 0.00 H new ATOM 0 HA ASP A 46 -11.692 4.726 -2.791 1.00 61.12 H new ATOM 0 HB2 ASP A 46 -11.375 5.231 -5.124 1.00 63.44 H new ATOM 0 HB3 ASP A 46 -11.841 3.613 -5.610 1.00 63.44 H new ATOM 738 N ALA A 47 -13.345 3.193 -1.876 1.00 3.13 N ATOM 739 CA ALA A 47 -14.401 2.455 -1.219 1.00 21.14 C ATOM 740 C ALA A 47 -15.722 2.670 -1.936 1.00 43.45 C ATOM 741 O ALA A 47 -16.637 1.877 -1.714 1.00 33.31 O ATOM 742 CB ALA A 47 -14.551 2.915 0.232 1.00 52.12 C ATOM 0 H ALA A 47 -13.098 4.039 -1.363 1.00 3.13 H new ATOM 0 HA ALA A 47 -14.137 1.398 -1.244 1.00 21.14 H new ATOM 0 HB1 ALA A 47 -15.350 2.350 0.712 1.00 52.12 H new ATOM 0 HB2 ALA A 47 -13.616 2.746 0.766 1.00 52.12 H new ATOM 0 HB3 ALA A 47 -14.795 3.977 0.254 1.00 52.12 H new ATOM 748 N ASP A 48 -15.874 3.751 -2.713 1.00 2.13 N ATOM 749 CA ASP A 48 -17.109 3.984 -3.457 1.00 41.33 C ATOM 750 C ASP A 48 -17.259 2.830 -4.445 1.00 11.24 C ATOM 751 O ASP A 48 -18.373 2.401 -4.744 1.00 31.14 O ATOM 752 CB ASP A 48 -17.086 5.324 -4.201 1.00 41.11 C ATOM 753 CG ASP A 48 -18.472 5.678 -4.723 1.00 20.52 C ATOM 754 OD1 ASP A 48 -19.207 6.334 -3.946 1.00 41.33 O ATOM 755 OD2 ASP A 48 -18.837 5.311 -5.867 1.00 10.14 O ATOM 0 H ASP A 48 -15.161 4.470 -2.839 1.00 2.13 H new ATOM 0 HA ASP A 48 -17.952 4.030 -2.768 1.00 41.33 H new ATOM 0 HB2 ASP A 48 -16.733 6.110 -3.533 1.00 41.11 H new ATOM 0 HB3 ASP A 48 -16.382 5.272 -5.032 1.00 41.11 H new ATOM 760 N LYS A 49 -16.127 2.278 -4.905 1.00 61.35 N ATOM 761 CA LYS A 49 -16.101 1.154 -5.831 1.00 20.32 C ATOM 762 C LYS A 49 -16.759 -0.083 -5.204 1.00 52.13 C ATOM 763 O LYS A 49 -17.357 -0.861 -5.950 1.00 44.03 O ATOM 764 CB LYS A 49 -14.643 0.866 -6.233 1.00 73.25 C ATOM 765 CG LYS A 49 -14.436 0.485 -7.706 1.00 54.13 C ATOM 766 CD LYS A 49 -15.139 -0.802 -8.167 1.00 23.02 C ATOM 767 CE LYS A 49 -14.356 -1.510 -9.282 1.00 14.04 C ATOM 768 NZ LYS A 49 -14.219 -0.709 -10.515 1.00 22.23 N ATOM 0 H LYS A 49 -15.199 2.608 -4.638 1.00 61.35 H new ATOM 0 HA LYS A 49 -16.672 1.406 -6.724 1.00 20.32 H new ATOM 0 HB2 LYS A 49 -14.041 1.748 -6.014 1.00 73.25 H new ATOM 0 HB3 LYS A 49 -14.263 0.058 -5.608 1.00 73.25 H new ATOM 0 HG2 LYS A 49 -14.784 1.310 -8.328 1.00 54.13 H new ATOM 0 HG3 LYS A 49 -13.367 0.378 -7.888 1.00 54.13 H new ATOM 0 HD2 LYS A 49 -15.255 -1.477 -7.319 1.00 23.02 H new ATOM 0 HD3 LYS A 49 -16.141 -0.562 -8.522 1.00 23.02 H new ATOM 0 HE2 LYS A 49 -13.362 -1.762 -8.912 1.00 14.04 H new ATOM 0 HE3 LYS A 49 -14.854 -2.449 -9.523 1.00 14.04 H new ATOM 0 HZ1 LYS A 49 -13.681 -1.249 -11.222 1.00 22.23 H new ATOM 0 HZ2 LYS A 49 -15.163 -0.489 -10.893 1.00 22.23 H new ATOM 0 HZ3 LYS A 49 -13.717 0.176 -10.300 1.00 22.23 H new ATOM 782 N ASP A 50 -16.651 -0.299 -3.884 1.00 35.35 N ATOM 783 CA ASP A 50 -17.252 -1.470 -3.242 1.00 12.54 C ATOM 784 C ASP A 50 -17.520 -1.309 -1.741 1.00 53.12 C ATOM 785 O ASP A 50 -16.595 -1.338 -0.915 1.00 4.22 O ATOM 786 CB ASP A 50 -16.343 -2.691 -3.421 1.00 44.22 C ATOM 787 CG ASP A 50 -17.069 -3.998 -3.116 1.00 14.42 C ATOM 788 OD1 ASP A 50 -18.211 -3.969 -2.600 1.00 2.33 O ATOM 789 OD2 ASP A 50 -16.472 -5.058 -3.387 1.00 51.53 O ATOM 0 H ASP A 50 -16.154 0.322 -3.245 1.00 35.35 H new ATOM 0 HA ASP A 50 -18.216 -1.596 -3.735 1.00 12.54 H new ATOM 0 HB2 ASP A 50 -15.968 -2.716 -4.444 1.00 44.22 H new ATOM 0 HB3 ASP A 50 -15.477 -2.597 -2.766 1.00 44.22 H new ATOM 794 N ARG A 51 -18.793 -1.190 -1.359 1.00 70.22 N ATOM 795 CA ARG A 51 -19.177 -1.059 0.042 1.00 74.15 C ATOM 796 C ARG A 51 -18.921 -2.328 0.852 1.00 14.14 C ATOM 797 O ARG A 51 -18.868 -2.212 2.082 1.00 12.33 O ATOM 798 CB ARG A 51 -20.680 -0.784 0.181 1.00 1.14 C ATOM 799 CG ARG A 51 -21.182 0.619 -0.178 1.00 22.35 C ATOM 800 CD ARG A 51 -22.623 0.664 0.337 1.00 31.45 C ATOM 801 NE ARG A 51 -23.325 1.920 0.070 1.00 13.21 N ATOM 802 CZ ARG A 51 -24.351 2.418 0.774 1.00 62.22 C ATOM 803 NH1 ARG A 51 -24.772 1.861 1.911 1.00 45.30 N ATOM 804 NH2 ARG A 51 -24.969 3.497 0.319 1.00 55.33 N ATOM 0 H ARG A 51 -19.579 -1.182 -2.009 1.00 70.22 H new ATOM 0 HA ARG A 51 -18.569 -0.237 0.418 1.00 74.15 H new ATOM 0 HB2 ARG A 51 -21.212 -1.501 -0.444 1.00 1.14 H new ATOM 0 HB3 ARG A 51 -20.965 -0.989 1.213 1.00 1.14 H new ATOM 0 HG2 ARG A 51 -20.570 1.390 0.291 1.00 22.35 H new ATOM 0 HG3 ARG A 51 -21.141 0.790 -1.254 1.00 22.35 H new ATOM 0 HD2 ARG A 51 -23.183 -0.154 -0.117 1.00 31.45 H new ATOM 0 HD3 ARG A 51 -22.616 0.488 1.413 1.00 31.45 H new ATOM 0 HE ARG A 51 -23.003 2.468 -0.727 1.00 13.21 H new ATOM 0 HH11 ARG A 51 -24.309 1.027 2.272 1.00 45.30 H new ATOM 0 HH12 ARG A 51 -25.557 2.269 2.419 1.00 45.30 H new ATOM 0 HH21 ARG A 51 -24.662 3.932 -0.551 1.00 55.33 H new ATOM 0 HH22 ARG A 51 -25.752 3.893 0.838 1.00 55.33 H new ATOM 818 N THR A 52 -18.768 -3.509 0.244 1.00 74.35 N ATOM 819 CA THR A 52 -18.539 -4.736 1.006 1.00 70.22 C ATOM 820 C THR A 52 -17.242 -5.486 0.638 1.00 4.12 C ATOM 821 O THR A 52 -17.063 -6.641 1.050 1.00 63.12 O ATOM 822 CB THR A 52 -19.843 -5.550 1.134 1.00 51.54 C ATOM 823 OG1 THR A 52 -20.470 -5.852 -0.100 1.00 2.55 O ATOM 824 CG2 THR A 52 -20.887 -4.802 1.974 1.00 31.11 C ATOM 0 H THR A 52 -18.799 -3.639 -0.767 1.00 74.35 H new ATOM 0 HA THR A 52 -18.294 -4.470 2.034 1.00 70.22 H new ATOM 0 HB THR A 52 -19.522 -6.479 1.605 1.00 51.54 H new ATOM 0 HG1 THR A 52 -21.286 -6.369 0.066 1.00 2.55 H new ATOM 0 HG21 THR A 52 -21.794 -5.402 2.045 1.00 31.11 H new ATOM 0 HG22 THR A 52 -20.490 -4.624 2.973 1.00 31.11 H new ATOM 0 HG23 THR A 52 -21.119 -3.848 1.501 1.00 31.11 H new ATOM 832 N GLY A 53 -16.314 -4.840 -0.085 1.00 3.44 N ATOM 833 CA GLY A 53 -15.026 -5.400 -0.507 1.00 20.05 C ATOM 834 C GLY A 53 -13.807 -4.513 -0.229 1.00 53.14 C ATOM 835 O GLY A 53 -12.697 -5.046 -0.182 1.00 34.04 O ATOM 0 H GLY A 53 -16.447 -3.880 -0.402 1.00 3.44 H new ATOM 0 HA2 GLY A 53 -14.882 -6.357 -0.005 1.00 20.05 H new ATOM 0 HA3 GLY A 53 -15.070 -5.605 -1.577 1.00 20.05 H new ATOM 839 N ILE A 54 -13.957 -3.195 -0.020 1.00 13.13 N ATOM 840 CA ILE A 54 -12.827 -2.296 0.274 1.00 42.03 C ATOM 841 C ILE A 54 -12.093 -2.788 1.534 1.00 60.33 C ATOM 842 O ILE A 54 -10.877 -2.657 1.684 1.00 54.42 O ATOM 843 CB ILE A 54 -13.312 -0.819 0.417 1.00 71.33 C ATOM 844 CG1 ILE A 54 -12.117 0.149 0.295 1.00 71.31 C ATOM 845 CG2 ILE A 54 -14.012 -0.428 1.736 1.00 2.43 C ATOM 846 CD1 ILE A 54 -11.490 0.272 -1.075 1.00 4.13 C ATOM 0 H ILE A 54 -14.861 -2.723 -0.050 1.00 13.13 H new ATOM 0 HA ILE A 54 -12.124 -2.315 -0.558 1.00 42.03 H new ATOM 0 HB ILE A 54 -14.050 -0.743 -0.382 1.00 71.33 H new ATOM 0 HG12 ILE A 54 -12.446 1.139 0.611 1.00 71.31 H new ATOM 0 HG13 ILE A 54 -11.346 -0.170 0.996 1.00 71.31 H new ATOM 0 HG21 ILE A 54 -14.296 0.624 1.699 1.00 2.43 H new ATOM 0 HG22 ILE A 54 -14.904 -1.040 1.870 1.00 2.43 H new ATOM 0 HG23 ILE A 54 -13.331 -0.591 2.571 1.00 2.43 H new ATOM 0 HD11 ILE A 54 -10.662 0.980 -1.034 1.00 4.13 H new ATOM 0 HD12 ILE A 54 -11.119 -0.702 -1.394 1.00 4.13 H new ATOM 0 HD13 ILE A 54 -12.236 0.627 -1.786 1.00 4.13 H new ATOM 858 N GLN A 55 -12.856 -3.415 2.427 1.00 34.23 N ATOM 859 CA GLN A 55 -12.418 -3.956 3.688 1.00 70.43 C ATOM 860 C GLN A 55 -11.412 -5.096 3.453 1.00 32.21 C ATOM 861 O GLN A 55 -10.267 -5.049 3.889 1.00 0.04 O ATOM 862 CB GLN A 55 -13.708 -4.323 4.448 1.00 35.31 C ATOM 863 CG GLN A 55 -13.519 -4.667 5.923 1.00 4.32 C ATOM 864 CD GLN A 55 -12.483 -3.764 6.568 1.00 43.23 C ATOM 865 OE1 GLN A 55 -12.788 -2.677 7.055 1.00 0.22 O ATOM 866 NE2 GLN A 55 -11.230 -4.164 6.466 1.00 70.33 N ATOM 0 H GLN A 55 -13.853 -3.561 2.269 1.00 34.23 H new ATOM 0 HA GLN A 55 -11.855 -3.258 4.307 1.00 70.43 H new ATOM 0 HB2 GLN A 55 -14.405 -3.488 4.373 1.00 35.31 H new ATOM 0 HB3 GLN A 55 -14.174 -5.173 3.950 1.00 35.31 H new ATOM 0 HG2 GLN A 55 -14.469 -4.567 6.447 1.00 4.32 H new ATOM 0 HG3 GLN A 55 -13.209 -5.708 6.020 1.00 4.32 H new ATOM 0 HE21 GLN A 55 -11.017 -5.073 6.056 1.00 70.33 H new ATOM 0 HE22 GLN A 55 -10.475 -3.564 6.797 1.00 70.33 H new ATOM 875 N ARG A 56 -11.810 -6.102 2.687 1.00 33.43 N ATOM 876 CA ARG A 56 -10.992 -7.265 2.315 1.00 61.32 C ATOM 877 C ARG A 56 -9.724 -6.823 1.585 1.00 3.45 C ATOM 878 O ARG A 56 -8.733 -7.555 1.579 1.00 30.50 O ATOM 879 CB ARG A 56 -11.797 -8.187 1.386 1.00 63.12 C ATOM 880 CG ARG A 56 -13.030 -8.804 2.050 1.00 31.24 C ATOM 881 CD ARG A 56 -12.707 -10.107 2.786 1.00 11.20 C ATOM 882 NE ARG A 56 -12.504 -11.202 1.826 1.00 13.22 N ATOM 883 CZ ARG A 56 -12.031 -12.424 2.071 1.00 4.43 C ATOM 884 NH1 ARG A 56 -11.590 -12.748 3.276 1.00 41.10 N ATOM 885 NH2 ARG A 56 -12.027 -13.303 1.080 1.00 71.54 N ATOM 0 H ARG A 56 -12.748 -6.139 2.288 1.00 33.43 H new ATOM 0 HA ARG A 56 -10.716 -7.794 3.227 1.00 61.32 H new ATOM 0 HB2 ARG A 56 -12.112 -7.620 0.510 1.00 63.12 H new ATOM 0 HB3 ARG A 56 -11.148 -8.987 1.031 1.00 63.12 H new ATOM 0 HG2 ARG A 56 -13.456 -8.089 2.753 1.00 31.24 H new ATOM 0 HG3 ARG A 56 -13.789 -8.997 1.292 1.00 31.24 H new ATOM 0 HD2 ARG A 56 -11.811 -9.977 3.393 1.00 11.20 H new ATOM 0 HD3 ARG A 56 -13.520 -10.358 3.467 1.00 11.20 H new ATOM 0 HE ARG A 56 -12.755 -11.003 0.858 1.00 13.22 H new ATOM 0 HH11 ARG A 56 -11.610 -12.060 4.028 1.00 41.10 H new ATOM 0 HH12 ARG A 56 -11.230 -13.686 3.452 1.00 41.10 H new ATOM 0 HH21 ARG A 56 -12.380 -13.037 0.161 1.00 71.54 H new ATOM 0 HH22 ARG A 56 -11.671 -14.246 1.236 1.00 71.54 H new ATOM 899 N ARG A 57 -9.743 -5.677 0.902 1.00 70.21 N ATOM 900 CA ARG A 57 -8.571 -5.166 0.210 1.00 30.22 C ATOM 901 C ARG A 57 -7.627 -4.573 1.246 1.00 12.23 C ATOM 902 O ARG A 57 -6.432 -4.866 1.202 1.00 71.24 O ATOM 903 CB ARG A 57 -8.999 -4.114 -0.803 1.00 53.20 C ATOM 904 CG ARG A 57 -9.636 -4.755 -2.027 1.00 11.22 C ATOM 905 CD ARG A 57 -9.851 -3.666 -3.073 1.00 13.41 C ATOM 906 NE ARG A 57 -9.658 -4.227 -4.407 1.00 20.42 N ATOM 907 CZ ARG A 57 -10.554 -4.910 -5.115 1.00 52.13 C ATOM 908 NH1 ARG A 57 -11.840 -4.868 -4.775 1.00 24.44 N ATOM 909 NH2 ARG A 57 -10.127 -5.634 -6.143 1.00 14.23 N ATOM 0 H ARG A 57 -10.569 -5.084 0.816 1.00 70.21 H new ATOM 0 HA ARG A 57 -8.060 -5.965 -0.328 1.00 30.22 H new ATOM 0 HB2 ARG A 57 -9.706 -3.426 -0.340 1.00 53.20 H new ATOM 0 HB3 ARG A 57 -8.134 -3.525 -1.107 1.00 53.20 H new ATOM 0 HG2 ARG A 57 -8.994 -5.542 -2.423 1.00 11.22 H new ATOM 0 HG3 ARG A 57 -10.585 -5.221 -1.762 1.00 11.22 H new ATOM 0 HD2 ARG A 57 -10.856 -3.253 -2.982 1.00 13.41 H new ATOM 0 HD3 ARG A 57 -9.153 -2.845 -2.908 1.00 13.41 H new ATOM 0 HE ARG A 57 -8.746 -4.081 -4.839 1.00 20.42 H new ATOM 0 HH11 ARG A 57 -12.138 -4.313 -3.973 1.00 24.44 H new ATOM 0 HH12 ARG A 57 -12.528 -5.391 -5.317 1.00 24.44 H new ATOM 0 HH21 ARG A 57 -9.134 -5.657 -6.373 1.00 14.23 H new ATOM 0 HH22 ARG A 57 -10.792 -6.167 -6.703 1.00 14.23 H new ATOM 923 N MET A 58 -8.163 -3.777 2.177 1.00 54.43 N ATOM 924 CA MET A 58 -7.401 -3.151 3.249 1.00 53.22 C ATOM 925 C MET A 58 -6.698 -4.241 4.059 1.00 0.12 C ATOM 926 O MET A 58 -5.518 -4.117 4.361 1.00 33.35 O ATOM 927 CB MET A 58 -8.336 -2.334 4.165 1.00 12.14 C ATOM 928 CG MET A 58 -8.401 -0.881 3.726 1.00 22.41 C ATOM 929 SD MET A 58 -9.422 0.222 4.727 1.00 43.42 S ATOM 930 CE MET A 58 -10.575 0.722 3.428 1.00 64.54 C ATOM 0 H MET A 58 -9.157 -3.549 2.202 1.00 54.43 H new ATOM 0 HA MET A 58 -6.662 -2.474 2.821 1.00 53.22 H new ATOM 0 HB2 MET A 58 -9.336 -2.767 4.148 1.00 12.14 H new ATOM 0 HB3 MET A 58 -7.982 -2.390 5.194 1.00 12.14 H new ATOM 0 HG2 MET A 58 -7.386 -0.484 3.710 1.00 22.41 H new ATOM 0 HG3 MET A 58 -8.771 -0.851 2.701 1.00 22.41 H new ATOM 0 HE1 MET A 58 -11.317 1.404 3.843 1.00 64.54 H new ATOM 0 HE2 MET A 58 -10.028 1.223 2.629 1.00 64.54 H new ATOM 0 HE3 MET A 58 -11.076 -0.159 3.027 1.00 64.54 H new ATOM 940 N ASP A 59 -7.389 -5.349 4.333 1.00 30.52 N ATOM 941 CA ASP A 59 -6.881 -6.500 5.082 1.00 1.44 C ATOM 942 C ASP A 59 -5.594 -7.027 4.442 1.00 62.13 C ATOM 943 O ASP A 59 -4.603 -7.258 5.134 1.00 23.13 O ATOM 944 CB ASP A 59 -7.921 -7.627 5.067 1.00 32.41 C ATOM 945 CG ASP A 59 -9.154 -7.427 5.946 1.00 51.14 C ATOM 946 OD1 ASP A 59 -9.213 -6.470 6.752 1.00 53.45 O ATOM 947 OD2 ASP A 59 -10.085 -8.250 5.791 1.00 74.14 O ATOM 0 H ASP A 59 -8.354 -5.474 4.028 1.00 30.52 H new ATOM 0 HA ASP A 59 -6.680 -6.181 6.105 1.00 1.44 H new ATOM 0 HB2 ASP A 59 -8.254 -7.770 4.039 1.00 32.41 H new ATOM 0 HB3 ASP A 59 -7.429 -8.550 5.374 1.00 32.41 H new ATOM 952 N ILE A 60 -5.611 -7.235 3.118 1.00 64.32 N ATOM 953 CA ILE A 60 -4.470 -7.728 2.347 1.00 63.14 C ATOM 954 C ILE A 60 -3.341 -6.701 2.397 1.00 61.22 C ATOM 955 O ILE A 60 -2.172 -7.084 2.505 1.00 34.45 O ATOM 956 CB ILE A 60 -4.903 -8.046 0.896 1.00 42.23 C ATOM 957 CG1 ILE A 60 -5.794 -9.299 0.861 1.00 13.35 C ATOM 958 CG2 ILE A 60 -3.709 -8.247 -0.061 1.00 0.23 C ATOM 959 CD1 ILE A 60 -6.418 -9.552 -0.516 1.00 73.32 C ATOM 0 H ILE A 60 -6.437 -7.061 2.545 1.00 64.32 H new ATOM 0 HA ILE A 60 -4.100 -8.656 2.783 1.00 63.14 H new ATOM 0 HB ILE A 60 -5.461 -7.176 0.549 1.00 42.23 H new ATOM 0 HG12 ILE A 60 -5.202 -10.167 1.151 1.00 13.35 H new ATOM 0 HG13 ILE A 60 -6.588 -9.194 1.600 1.00 13.35 H new ATOM 0 HG21 ILE A 60 -4.079 -8.467 -1.063 1.00 0.23 H new ATOM 0 HG22 ILE A 60 -3.107 -7.339 -0.088 1.00 0.23 H new ATOM 0 HG23 ILE A 60 -3.097 -9.078 0.290 1.00 0.23 H new ATOM 0 HD11 ILE A 60 -7.035 -10.450 -0.476 1.00 73.32 H new ATOM 0 HD12 ILE A 60 -7.035 -8.699 -0.798 1.00 73.32 H new ATOM 0 HD13 ILE A 60 -5.628 -9.688 -1.254 1.00 73.32 H new ATOM 971 N ALA A 61 -3.664 -5.411 2.279 1.00 40.23 N ATOM 972 CA ALA A 61 -2.661 -4.362 2.328 1.00 54.30 C ATOM 973 C ALA A 61 -1.986 -4.392 3.703 1.00 45.22 C ATOM 974 O ALA A 61 -0.759 -4.365 3.779 1.00 3.14 O ATOM 975 CB ALA A 61 -3.298 -3.005 2.012 1.00 52.20 C ATOM 0 H ALA A 61 -4.618 -5.074 2.149 1.00 40.23 H new ATOM 0 HA ALA A 61 -1.894 -4.528 1.571 1.00 54.30 H new ATOM 0 HB1 ALA A 61 -2.536 -2.227 2.052 1.00 52.20 H new ATOM 0 HB2 ALA A 61 -3.737 -3.032 1.014 1.00 52.20 H new ATOM 0 HB3 ALA A 61 -4.076 -2.789 2.744 1.00 52.20 H new ATOM 981 N LEU A 62 -2.772 -4.506 4.779 1.00 72.04 N ATOM 982 CA LEU A 62 -2.279 -4.559 6.155 1.00 73.23 C ATOM 983 C LEU A 62 -1.428 -5.806 6.370 1.00 14.31 C ATOM 984 O LEU A 62 -0.472 -5.782 7.148 1.00 53.52 O ATOM 985 CB LEU A 62 -3.459 -4.579 7.133 1.00 21.43 C ATOM 986 CG LEU A 62 -3.948 -3.188 7.553 1.00 13.32 C ATOM 987 CD1 LEU A 62 -5.262 -3.380 8.315 1.00 13.33 C ATOM 988 CD2 LEU A 62 -2.903 -2.470 8.421 1.00 3.15 C ATOM 0 H LEU A 62 -3.788 -4.565 4.714 1.00 72.04 H new ATOM 0 HA LEU A 62 -1.668 -3.674 6.335 1.00 73.23 H new ATOM 0 HB2 LEU A 62 -4.287 -5.121 6.675 1.00 21.43 H new ATOM 0 HB3 LEU A 62 -3.169 -5.135 8.025 1.00 21.43 H new ATOM 0 HG LEU A 62 -4.105 -2.559 6.676 1.00 13.32 H new ATOM 0 HD11 LEU A 62 -5.644 -2.410 8.632 1.00 13.33 H new ATOM 0 HD12 LEU A 62 -5.992 -3.863 7.665 1.00 13.33 H new ATOM 0 HD13 LEU A 62 -5.087 -4.005 9.191 1.00 13.33 H new ATOM 0 HD21 LEU A 62 -3.278 -1.486 8.703 1.00 3.15 H new ATOM 0 HD22 LEU A 62 -2.711 -3.057 9.319 1.00 3.15 H new ATOM 0 HD23 LEU A 62 -1.977 -2.357 7.857 1.00 3.15 H new ATOM 1000 N LEU A 63 -1.745 -6.909 5.685 1.00 51.43 N ATOM 1001 CA LEU A 63 -0.988 -8.147 5.795 1.00 75.00 C ATOM 1002 C LEU A 63 0.440 -7.959 5.277 1.00 63.52 C ATOM 1003 O LEU A 63 1.264 -8.836 5.518 1.00 3.35 O ATOM 1004 CB LEU A 63 -1.710 -9.316 5.095 1.00 43.14 C ATOM 1005 CG LEU A 63 -2.782 -9.982 5.981 1.00 43.24 C ATOM 1006 CD1 LEU A 63 -3.716 -10.845 5.126 1.00 54.33 C ATOM 1007 CD2 LEU A 63 -2.154 -10.864 7.069 1.00 2.43 C ATOM 0 H LEU A 63 -2.534 -6.963 5.041 1.00 51.43 H new ATOM 0 HA LEU A 63 -0.921 -8.409 6.851 1.00 75.00 H new ATOM 0 HB2 LEU A 63 -2.178 -8.951 4.181 1.00 43.14 H new ATOM 0 HB3 LEU A 63 -0.975 -10.065 4.800 1.00 43.14 H new ATOM 0 HG LEU A 63 -3.344 -9.181 6.462 1.00 43.24 H new ATOM 0 HD11 LEU A 63 -4.468 -11.309 5.764 1.00 54.33 H new ATOM 0 HD12 LEU A 63 -4.208 -10.220 4.381 1.00 54.33 H new ATOM 0 HD13 LEU A 63 -3.137 -11.620 4.624 1.00 54.33 H new ATOM 0 HD21 LEU A 63 -2.942 -11.315 7.672 1.00 2.43 H new ATOM 0 HD22 LEU A 63 -1.560 -11.649 6.602 1.00 2.43 H new ATOM 0 HD23 LEU A 63 -1.514 -10.255 7.707 1.00 2.43 H new ATOM 1019 N GLN A 64 0.771 -6.843 4.612 1.00 10.11 N ATOM 1020 CA GLN A 64 2.120 -6.599 4.121 1.00 63.43 C ATOM 1021 C GLN A 64 2.993 -5.957 5.218 1.00 25.43 C ATOM 1022 O GLN A 64 4.167 -5.689 4.974 1.00 53.01 O ATOM 1023 CB GLN A 64 2.113 -5.761 2.827 1.00 61.45 C ATOM 1024 CG GLN A 64 1.173 -6.259 1.718 1.00 14.34 C ATOM 1025 CD GLN A 64 1.282 -7.756 1.469 1.00 62.34 C ATOM 1026 OE1 GLN A 64 2.331 -8.255 1.082 1.00 4.34 O ATOM 1027 NE2 GLN A 64 0.199 -8.498 1.652 1.00 5.44 N ATOM 0 H GLN A 64 0.111 -6.094 4.404 1.00 10.11 H new ATOM 0 HA GLN A 64 2.563 -7.562 3.867 1.00 63.43 H new ATOM 0 HB2 GLN A 64 1.837 -4.737 3.080 1.00 61.45 H new ATOM 0 HB3 GLN A 64 3.128 -5.729 2.431 1.00 61.45 H new ATOM 0 HG2 GLN A 64 0.145 -6.015 1.985 1.00 14.34 H new ATOM 0 HG3 GLN A 64 1.397 -5.726 0.794 1.00 14.34 H new ATOM 0 HE21 GLN A 64 -0.667 -8.066 1.975 1.00 5.44 H new ATOM 0 HE22 GLN A 64 0.231 -9.501 1.470 1.00 5.44 H new ATOM 1036 N HIS A 65 2.466 -5.689 6.421 1.00 13.21 N ATOM 1037 CA HIS A 65 3.236 -5.102 7.514 1.00 25.14 C ATOM 1038 C HIS A 65 4.323 -6.097 7.904 1.00 34.20 C ATOM 1039 O HIS A 65 4.037 -7.190 8.408 1.00 43.32 O ATOM 1040 CB HIS A 65 2.333 -4.752 8.700 1.00 3.12 C ATOM 1041 CG HIS A 65 2.913 -3.795 9.703 1.00 4.45 C ATOM 1042 ND1 HIS A 65 4.172 -3.202 9.633 1.00 33.11 N ATOM 1043 CD2 HIS A 65 2.185 -3.169 10.671 1.00 52.01 C ATOM 1044 CE1 HIS A 65 4.178 -2.245 10.575 1.00 54.31 C ATOM 1045 NE2 HIS A 65 2.995 -2.192 11.198 1.00 73.32 N ATOM 0 H HIS A 65 1.492 -5.875 6.659 1.00 13.21 H new ATOM 0 HA HIS A 65 3.694 -4.166 7.195 1.00 25.14 H new ATOM 0 HB2 HIS A 65 1.406 -4.327 8.314 1.00 3.12 H new ATOM 0 HB3 HIS A 65 2.069 -5.675 9.217 1.00 3.12 H new ATOM 0 HD2 HIS A 65 1.171 -3.396 10.966 1.00 52.01 H new ATOM 0 HE1 HIS A 65 5.020 -1.607 10.799 1.00 54.31 H new ATOM 0 HE2 HIS A 65 2.738 -1.538 11.938 1.00 73.32 H new ATOM 1053 N GLY A 66 5.566 -5.719 7.638 1.00 31.42 N ATOM 1054 CA GLY A 66 6.742 -6.523 7.917 1.00 70.55 C ATOM 1055 C GLY A 66 7.258 -7.282 6.695 1.00 40.12 C ATOM 1056 O GLY A 66 8.227 -8.020 6.855 1.00 65.13 O ATOM 0 H GLY A 66 5.787 -4.820 7.211 1.00 31.42 H new ATOM 0 HA2 GLY A 66 7.534 -5.877 8.296 1.00 70.55 H new ATOM 0 HA3 GLY A 66 6.507 -7.236 8.707 1.00 70.55 H new ATOM 1060 N THR A 67 6.664 -7.150 5.497 1.00 22.34 N ATOM 1061 CA THR A 67 7.185 -7.895 4.356 1.00 21.33 C ATOM 1062 C THR A 67 8.587 -7.401 3.994 1.00 60.34 C ATOM 1063 O THR A 67 8.928 -6.218 4.103 1.00 63.33 O ATOM 1064 CB THR A 67 6.193 -8.009 3.182 1.00 41.33 C ATOM 1065 OG1 THR A 67 5.699 -6.783 2.680 1.00 44.14 O ATOM 1066 CG2 THR A 67 4.993 -8.863 3.607 1.00 70.14 C ATOM 0 H THR A 67 5.856 -6.558 5.304 1.00 22.34 H new ATOM 0 HA THR A 67 7.301 -8.937 4.653 1.00 21.33 H new ATOM 0 HB THR A 67 6.769 -8.462 2.375 1.00 41.33 H new ATOM 0 HG1 THR A 67 5.169 -6.336 3.372 1.00 44.14 H new ATOM 0 HG21 THR A 67 4.291 -8.944 2.777 1.00 70.14 H new ATOM 0 HG22 THR A 67 5.336 -9.858 3.890 1.00 70.14 H new ATOM 0 HG23 THR A 67 4.497 -8.395 4.457 1.00 70.14 H new ATOM 1074 N LEU A 68 9.431 -8.350 3.597 1.00 33.12 N ATOM 1075 CA LEU A 68 10.809 -8.119 3.221 1.00 21.12 C ATOM 1076 C LEU A 68 10.856 -7.871 1.726 1.00 50.12 C ATOM 1077 O LEU A 68 10.496 -8.740 0.930 1.00 55.22 O ATOM 1078 CB LEU A 68 11.683 -9.310 3.640 1.00 62.32 C ATOM 1079 CG LEU A 68 11.543 -9.704 5.124 1.00 63.11 C ATOM 1080 CD1 LEU A 68 12.662 -10.652 5.526 1.00 1.24 C ATOM 1081 CD2 LEU A 68 11.634 -8.502 6.059 1.00 74.40 C ATOM 0 H LEU A 68 9.158 -9.330 3.529 1.00 33.12 H new ATOM 0 HA LEU A 68 11.208 -7.244 3.735 1.00 21.12 H new ATOM 0 HB2 LEU A 68 11.427 -10.170 3.021 1.00 62.32 H new ATOM 0 HB3 LEU A 68 12.727 -9.070 3.436 1.00 62.32 H new ATOM 0 HG LEU A 68 10.562 -10.169 5.218 1.00 63.11 H new ATOM 0 HD11 LEU A 68 12.551 -10.922 6.576 1.00 1.24 H new ATOM 0 HD12 LEU A 68 12.614 -11.552 4.913 1.00 1.24 H new ATOM 0 HD13 LEU A 68 13.625 -10.163 5.377 1.00 1.24 H new ATOM 0 HD21 LEU A 68 11.529 -8.835 7.091 1.00 74.40 H new ATOM 0 HD22 LEU A 68 12.600 -8.014 5.931 1.00 74.40 H new ATOM 0 HD23 LEU A 68 10.837 -7.796 5.823 1.00 74.40 H new ATOM 1093 N LEU A 69 11.276 -6.670 1.349 1.00 54.34 N ATOM 1094 CA LEU A 69 11.399 -6.220 -0.025 1.00 52.24 C ATOM 1095 C LEU A 69 12.843 -5.810 -0.200 1.00 43.12 C ATOM 1096 O LEU A 69 13.282 -4.887 0.474 1.00 32.10 O ATOM 1097 CB LEU A 69 10.453 -5.034 -0.255 1.00 13.14 C ATOM 1098 CG LEU A 69 9.174 -5.519 -0.944 1.00 5.13 C ATOM 1099 CD1 LEU A 69 8.035 -4.555 -0.644 1.00 51.32 C ATOM 1100 CD2 LEU A 69 9.448 -5.609 -2.450 1.00 71.22 C ATOM 0 H LEU A 69 11.551 -5.956 2.023 1.00 54.34 H new ATOM 0 HA LEU A 69 11.131 -6.994 -0.744 1.00 52.24 H new ATOM 0 HB2 LEU A 69 10.208 -4.562 0.697 1.00 13.14 H new ATOM 0 HB3 LEU A 69 10.944 -4.279 -0.869 1.00 13.14 H new ATOM 0 HG LEU A 69 8.881 -6.502 -0.574 1.00 5.13 H new ATOM 0 HD11 LEU A 69 7.126 -4.902 -1.135 1.00 51.32 H new ATOM 0 HD12 LEU A 69 7.871 -4.509 0.433 1.00 51.32 H new ATOM 0 HD13 LEU A 69 8.291 -3.562 -1.014 1.00 51.32 H new ATOM 0 HD21 LEU A 69 8.550 -5.953 -2.963 1.00 71.22 H new ATOM 0 HD22 LEU A 69 9.728 -4.626 -2.828 1.00 71.22 H new ATOM 0 HD23 LEU A 69 10.261 -6.312 -2.631 1.00 71.22 H new ATOM 1112 N LYS A 70 13.560 -6.441 -1.128 1.00 40.14 N ATOM 1113 CA LYS A 70 14.973 -6.205 -1.423 1.00 53.53 C ATOM 1114 C LYS A 70 15.774 -6.098 -0.116 1.00 32.21 C ATOM 1115 O LYS A 70 16.552 -5.168 0.086 1.00 72.45 O ATOM 1116 CB LYS A 70 15.162 -5.012 -2.374 1.00 30.40 C ATOM 1117 CG LYS A 70 14.803 -5.296 -3.843 1.00 15.35 C ATOM 1118 CD LYS A 70 14.103 -4.099 -4.523 1.00 65.25 C ATOM 1119 CE LYS A 70 12.639 -3.989 -4.073 1.00 42.33 C ATOM 1120 NZ LYS A 70 11.897 -5.187 -4.512 1.00 71.43 N ATOM 0 H LYS A 70 13.154 -7.164 -1.722 1.00 40.14 H new ATOM 0 HA LYS A 70 15.375 -7.061 -1.965 1.00 53.53 H new ATOM 0 HB2 LYS A 70 14.551 -4.182 -2.019 1.00 30.40 H new ATOM 0 HB3 LYS A 70 16.201 -4.687 -2.325 1.00 30.40 H new ATOM 0 HG2 LYS A 70 15.710 -5.543 -4.394 1.00 15.35 H new ATOM 0 HG3 LYS A 70 14.152 -6.169 -3.892 1.00 15.35 H new ATOM 0 HD2 LYS A 70 14.632 -3.178 -4.280 1.00 65.25 H new ATOM 0 HD3 LYS A 70 14.147 -4.215 -5.606 1.00 65.25 H new ATOM 0 HE2 LYS A 70 12.587 -3.893 -2.988 1.00 42.33 H new ATOM 0 HE3 LYS A 70 12.185 -3.092 -4.494 1.00 42.33 H new ATOM 0 HZ1 LYS A 70 10.889 -4.952 -4.618 1.00 71.43 H new ATOM 0 HZ2 LYS A 70 12.274 -5.514 -5.425 1.00 71.43 H new ATOM 0 HZ3 LYS A 70 12.004 -5.941 -3.803 1.00 71.43 H new ATOM 1134 N GLU A 71 15.537 -7.051 0.784 1.00 11.31 N ATOM 1135 CA GLU A 71 16.175 -7.180 2.098 1.00 20.42 C ATOM 1136 C GLU A 71 15.972 -5.979 3.030 1.00 25.10 C ATOM 1137 O GLU A 71 16.839 -5.625 3.836 1.00 61.41 O ATOM 1138 CB GLU A 71 17.644 -7.596 1.957 1.00 1.21 C ATOM 1139 CG GLU A 71 17.775 -8.809 1.032 1.00 43.13 C ATOM 1140 CD GLU A 71 19.014 -9.616 1.370 1.00 62.14 C ATOM 1141 OE1 GLU A 71 20.137 -9.074 1.304 1.00 34.31 O ATOM 1142 OE2 GLU A 71 18.861 -10.826 1.656 1.00 62.04 O ATOM 0 H GLU A 71 14.860 -7.794 0.610 1.00 11.31 H new ATOM 0 HA GLU A 71 15.650 -7.987 2.610 1.00 20.42 H new ATOM 0 HB2 GLU A 71 18.226 -6.765 1.560 1.00 1.21 H new ATOM 0 HB3 GLU A 71 18.056 -7.834 2.938 1.00 1.21 H new ATOM 0 HG2 GLU A 71 16.890 -9.439 1.124 1.00 43.13 H new ATOM 0 HG3 GLU A 71 17.824 -8.477 -0.005 1.00 43.13 H new ATOM 1149 N LYS A 72 14.810 -5.337 2.933 1.00 1.23 N ATOM 1150 CA LYS A 72 14.415 -4.197 3.745 1.00 11.10 C ATOM 1151 C LYS A 72 13.034 -4.552 4.263 1.00 33.21 C ATOM 1152 O LYS A 72 12.115 -4.800 3.481 1.00 11.44 O ATOM 1153 CB LYS A 72 14.429 -2.903 2.917 1.00 75.52 C ATOM 1154 CG LYS A 72 15.852 -2.362 2.694 1.00 63.12 C ATOM 1155 CD LYS A 72 16.402 -1.555 3.874 1.00 43.15 C ATOM 1156 CE LYS A 72 15.577 -0.280 4.092 1.00 52.23 C ATOM 1157 NZ LYS A 72 16.171 0.589 5.123 1.00 71.44 N ATOM 0 H LYS A 72 14.093 -5.610 2.260 1.00 1.23 H new ATOM 0 HA LYS A 72 15.102 -4.005 4.569 1.00 11.10 H new ATOM 0 HB2 LYS A 72 13.959 -3.088 1.951 1.00 75.52 H new ATOM 0 HB3 LYS A 72 13.831 -2.145 3.423 1.00 75.52 H new ATOM 0 HG2 LYS A 72 16.521 -3.199 2.496 1.00 63.12 H new ATOM 0 HG3 LYS A 72 15.856 -1.733 1.804 1.00 63.12 H new ATOM 0 HD2 LYS A 72 16.384 -2.164 4.777 1.00 43.15 H new ATOM 0 HD3 LYS A 72 17.443 -1.293 3.687 1.00 43.15 H new ATOM 0 HE2 LYS A 72 15.502 0.269 3.153 1.00 52.23 H new ATOM 0 HE3 LYS A 72 14.562 -0.550 4.385 1.00 52.23 H new ATOM 0 HZ1 LYS A 72 15.584 1.439 5.240 1.00 71.44 H new ATOM 0 HZ2 LYS A 72 16.219 0.074 6.025 1.00 71.44 H new ATOM 0 HZ3 LYS A 72 17.130 0.868 4.832 1.00 71.44 H new ATOM 1171 N LYS A 73 12.901 -4.665 5.583 1.00 21.11 N ATOM 1172 CA LYS A 73 11.639 -5.003 6.221 1.00 25.03 C ATOM 1173 C LYS A 73 10.782 -3.752 6.255 1.00 31.50 C ATOM 1174 O LYS A 73 11.076 -2.808 6.993 1.00 32.25 O ATOM 1175 CB LYS A 73 11.895 -5.541 7.627 1.00 23.13 C ATOM 1176 CG LYS A 73 10.592 -6.029 8.269 1.00 32.44 C ATOM 1177 CD LYS A 73 10.799 -7.206 9.236 1.00 54.01 C ATOM 1178 CE LYS A 73 10.084 -6.958 10.561 1.00 24.44 C ATOM 1179 NZ LYS A 73 10.756 -5.908 11.357 1.00 61.44 N ATOM 0 H LYS A 73 13.670 -4.524 6.238 1.00 21.11 H new ATOM 0 HA LYS A 73 11.119 -5.782 5.664 1.00 25.03 H new ATOM 0 HB2 LYS A 73 12.613 -6.360 7.583 1.00 23.13 H new ATOM 0 HB3 LYS A 73 12.340 -4.761 8.244 1.00 23.13 H new ATOM 0 HG2 LYS A 73 10.127 -5.202 8.807 1.00 32.44 H new ATOM 0 HG3 LYS A 73 9.898 -6.329 7.484 1.00 32.44 H new ATOM 0 HD2 LYS A 73 10.424 -8.124 8.783 1.00 54.01 H new ATOM 0 HD3 LYS A 73 11.864 -7.351 9.415 1.00 54.01 H new ATOM 0 HE2 LYS A 73 9.052 -6.664 10.368 1.00 24.44 H new ATOM 0 HE3 LYS A 73 10.050 -7.884 11.135 1.00 24.44 H new ATOM 0 HZ1 LYS A 73 10.338 -5.873 12.308 1.00 61.44 H new ATOM 0 HZ2 LYS A 73 11.770 -6.125 11.433 1.00 61.44 H new ATOM 0 HZ3 LYS A 73 10.633 -4.987 10.890 1.00 61.44 H new ATOM 1193 N ILE A 74 9.755 -3.736 5.429 1.00 35.13 N ATOM 1194 CA ILE A 74 8.819 -2.635 5.303 1.00 42.34 C ATOM 1195 C ILE A 74 7.793 -2.652 6.440 1.00 24.25 C ATOM 1196 O ILE A 74 7.756 -3.580 7.252 1.00 51.43 O ATOM 1197 CB ILE A 74 8.186 -2.607 3.900 1.00 50.32 C ATOM 1198 CG1 ILE A 74 7.108 -3.695 3.678 1.00 33.23 C ATOM 1199 CG2 ILE A 74 9.258 -2.661 2.796 1.00 32.43 C ATOM 1200 CD1 ILE A 74 5.748 -3.073 3.366 1.00 33.13 C ATOM 0 H ILE A 74 9.541 -4.515 4.806 1.00 35.13 H new ATOM 0 HA ILE A 74 9.363 -1.696 5.406 1.00 42.34 H new ATOM 0 HB ILE A 74 7.667 -1.651 3.836 1.00 50.32 H new ATOM 0 HG12 ILE A 74 7.409 -4.346 2.858 1.00 33.23 H new ATOM 0 HG13 ILE A 74 7.029 -4.319 4.568 1.00 33.23 H new ATOM 0 HG21 ILE A 74 8.775 -2.640 1.819 1.00 32.43 H new ATOM 0 HG22 ILE A 74 9.922 -1.802 2.892 1.00 32.43 H new ATOM 0 HG23 ILE A 74 9.836 -3.580 2.895 1.00 32.43 H new ATOM 0 HD11 ILE A 74 5.012 -3.863 3.215 1.00 33.13 H new ATOM 0 HD12 ILE A 74 5.437 -2.442 4.198 1.00 33.13 H new ATOM 0 HD13 ILE A 74 5.823 -2.470 2.461 1.00 33.13 H new ATOM 1212 N ASN A 75 7.005 -1.591 6.555 1.00 13.02 N ATOM 1213 CA ASN A 75 5.953 -1.407 7.551 1.00 54.15 C ATOM 1214 C ASN A 75 4.691 -0.930 6.865 1.00 43.42 C ATOM 1215 O ASN A 75 4.792 -0.298 5.813 1.00 24.51 O ATOM 1216 CB ASN A 75 6.354 -0.355 8.602 1.00 73.00 C ATOM 1217 CG ASN A 75 6.802 0.992 8.050 1.00 54.51 C ATOM 1218 OD1 ASN A 75 7.984 1.314 8.047 1.00 2.11 O ATOM 1219 ND2 ASN A 75 5.889 1.826 7.581 1.00 74.41 N ATOM 0 H ASN A 75 7.085 -0.793 5.924 1.00 13.02 H new ATOM 0 HA ASN A 75 5.792 -2.364 8.048 1.00 54.15 H new ATOM 0 HB2 ASN A 75 5.506 -0.191 9.267 1.00 73.00 H new ATOM 0 HB3 ASN A 75 7.161 -0.765 9.210 1.00 73.00 H new ATOM 0 HD21 ASN A 75 6.169 2.737 7.217 1.00 74.41 H new ATOM 0 HD22 ASN A 75 4.905 1.558 7.583 1.00 74.41 H new ATOM 1226 N VAL A 76 3.531 -1.178 7.479 1.00 31.43 N ATOM 1227 CA VAL A 76 2.241 -0.764 6.939 1.00 64.41 C ATOM 1228 C VAL A 76 1.341 -0.241 8.061 1.00 31.13 C ATOM 1229 O VAL A 76 1.247 -0.869 9.108 1.00 22.51 O ATOM 1230 CB VAL A 76 1.579 -1.917 6.161 1.00 42.13 C ATOM 1231 CG1 VAL A 76 0.223 -1.478 5.603 1.00 43.21 C ATOM 1232 CG2 VAL A 76 2.429 -2.385 4.978 1.00 41.40 C ATOM 0 H VAL A 76 3.464 -1.674 8.368 1.00 31.43 H new ATOM 0 HA VAL A 76 2.398 0.051 6.233 1.00 64.41 H new ATOM 0 HB VAL A 76 1.467 -2.736 6.871 1.00 42.13 H new ATOM 0 HG11 VAL A 76 -0.230 -2.305 5.056 1.00 43.21 H new ATOM 0 HG12 VAL A 76 -0.431 -1.184 6.424 1.00 43.21 H new ATOM 0 HG13 VAL A 76 0.363 -0.632 4.930 1.00 43.21 H new ATOM 0 HG21 VAL A 76 1.919 -3.199 4.463 1.00 41.40 H new ATOM 0 HG22 VAL A 76 2.579 -1.555 4.287 1.00 41.40 H new ATOM 0 HG23 VAL A 76 3.396 -2.735 5.340 1.00 41.40 H new ATOM 1242 N GLU A 77 0.692 0.908 7.868 1.00 64.52 N ATOM 1243 CA GLU A 77 -0.216 1.532 8.832 1.00 52.10 C ATOM 1244 C GLU A 77 -1.364 2.196 8.064 1.00 35.42 C ATOM 1245 O GLU A 77 -1.396 2.180 6.832 1.00 41.34 O ATOM 1246 CB GLU A 77 0.481 2.603 9.699 1.00 23.34 C ATOM 1247 CG GLU A 77 1.809 2.200 10.351 1.00 44.14 C ATOM 1248 CD GLU A 77 1.676 1.151 11.462 1.00 21.24 C ATOM 1249 OE1 GLU A 77 0.632 1.116 12.161 1.00 50.22 O ATOM 1250 OE2 GLU A 77 2.672 0.453 11.762 1.00 14.54 O ATOM 0 H GLU A 77 0.787 1.448 7.008 1.00 64.52 H new ATOM 0 HA GLU A 77 -0.576 0.750 9.500 1.00 52.10 H new ATOM 0 HB2 GLU A 77 0.659 3.481 9.078 1.00 23.34 H new ATOM 0 HB3 GLU A 77 -0.208 2.904 10.488 1.00 23.34 H new ATOM 0 HG2 GLU A 77 2.476 1.813 9.580 1.00 44.14 H new ATOM 0 HG3 GLU A 77 2.282 3.091 10.764 1.00 44.14 H new ATOM 1257 N LEU A 78 -2.342 2.737 8.787 1.00 2.24 N ATOM 1258 CA LEU A 78 -3.487 3.427 8.213 1.00 31.32 C ATOM 1259 C LEU A 78 -3.234 4.929 8.246 1.00 53.00 C ATOM 1260 O LEU A 78 -2.572 5.444 9.152 1.00 0.14 O ATOM 1261 CB LEU A 78 -4.744 3.144 9.049 1.00 43.13 C ATOM 1262 CG LEU A 78 -5.623 1.980 8.591 1.00 2.11 C ATOM 1263 CD1 LEU A 78 -6.281 2.267 7.233 1.00 0.31 C ATOM 1264 CD2 LEU A 78 -4.865 0.653 8.578 1.00 22.34 C ATOM 0 H LEU A 78 -2.358 2.706 9.806 1.00 2.24 H new ATOM 0 HA LEU A 78 -3.630 3.078 7.190 1.00 31.32 H new ATOM 0 HB2 LEU A 78 -4.434 2.953 10.076 1.00 43.13 H new ATOM 0 HB3 LEU A 78 -5.354 4.047 9.063 1.00 43.13 H new ATOM 0 HG LEU A 78 -6.421 1.881 9.327 1.00 2.11 H new ATOM 0 HD11 LEU A 78 -6.898 1.417 6.941 1.00 0.31 H new ATOM 0 HD12 LEU A 78 -6.904 3.158 7.312 1.00 0.31 H new ATOM 0 HD13 LEU A 78 -5.508 2.430 6.482 1.00 0.31 H new ATOM 0 HD21 LEU A 78 -5.531 -0.143 8.246 1.00 22.34 H new ATOM 0 HD22 LEU A 78 -4.017 0.725 7.896 1.00 22.34 H new ATOM 0 HD23 LEU A 78 -4.505 0.430 9.582 1.00 22.34 H new ATOM 1276 N THR A 79 -3.818 5.638 7.283 1.00 71.42 N ATOM 1277 CA THR A 79 -3.697 7.079 7.195 1.00 5.22 C ATOM 1278 C THR A 79 -4.985 7.624 6.580 1.00 11.34 C ATOM 1279 O THR A 79 -5.078 7.846 5.375 1.00 5.11 O ATOM 1280 CB THR A 79 -2.384 7.460 6.479 1.00 52.44 C ATOM 1281 OG1 THR A 79 -2.255 8.856 6.317 1.00 3.25 O ATOM 1282 CG2 THR A 79 -2.075 6.693 5.195 1.00 34.34 C ATOM 0 H THR A 79 -4.387 5.224 6.545 1.00 71.42 H new ATOM 0 HA THR A 79 -3.605 7.553 8.172 1.00 5.22 H new ATOM 0 HB THR A 79 -1.606 7.125 7.165 1.00 52.44 H new ATOM 0 HG1 THR A 79 -1.411 9.056 5.861 1.00 3.25 H new ATOM 0 HG21 THR A 79 -1.130 7.044 4.780 1.00 34.34 H new ATOM 0 HG22 THR A 79 -2.001 5.628 5.416 1.00 34.34 H new ATOM 0 HG23 THR A 79 -2.873 6.859 4.471 1.00 34.34 H new