USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 97:sc= -0.878 USER MOD Single : A 15 TYR OH : rot -150:sc= 0.981 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 29 SER OG : rot 68:sc= 1.28 USER MOD Single : A 30 MET CE :methyl -172:sc= -1.14 (180deg=-1.34) USER MOD Single : A 51 GLN : amide:sc= -2.74! C(o=-2.7!,f=-9.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.00485 USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -0.139 (180deg=-0.522) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 11.851 -7.098 -7.273 1.00 0.00 N ATOM 89 CA SER A 7 12.902 -7.242 -6.285 1.00 0.00 C ATOM 90 C SER A 7 12.405 -8.134 -5.151 1.00 0.00 C ATOM 91 O SER A 7 13.017 -9.157 -4.837 1.00 0.00 O ATOM 92 CB SER A 7 13.319 -5.865 -5.757 1.00 0.00 C ATOM 93 OG SER A 7 14.473 -5.949 -4.933 1.00 0.00 O ATOM 0 HA SER A 7 13.776 -7.706 -6.741 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.518 -5.198 -6.596 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.497 -5.428 -5.190 1.00 0.00 H new ATOM 0 HG SER A 7 14.713 -5.054 -4.614 1.00 0.00 H new ATOM 99 N ARG A 8 11.269 -7.760 -4.563 1.00 0.00 N ATOM 100 CA ARG A 8 10.645 -8.567 -3.529 1.00 0.00 C ATOM 101 C ARG A 8 9.156 -8.263 -3.469 1.00 0.00 C ATOM 102 O ARG A 8 8.739 -7.131 -3.692 1.00 0.00 O ATOM 103 CB ARG A 8 11.301 -8.309 -2.170 1.00 0.00 C ATOM 104 CG ARG A 8 10.975 -9.360 -1.123 1.00 0.00 C ATOM 105 CD ARG A 8 11.790 -9.156 0.143 1.00 0.00 C ATOM 106 NE ARG A 8 11.774 -10.343 0.998 1.00 0.00 N ATOM 107 CZ ARG A 8 12.110 -10.348 2.287 1.00 0.00 C ATOM 108 NH1 ARG A 8 12.458 -9.225 2.902 1.00 0.00 N ATOM 109 NH2 ARG A 8 12.103 -11.484 2.967 1.00 0.00 N ATOM 0 H ARG A 8 10.766 -6.902 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 8 10.783 -9.620 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.382 -8.264 -2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.983 -7.333 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 8 9.912 -9.319 -0.883 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.173 -10.352 -1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.819 -8.913 -0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.394 -8.304 0.696 1.00 0.00 H new ATOM 0 HE ARG A 8 11.486 -11.227 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.470 -8.344 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 8 12.713 -9.242 3.889 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.841 -12.354 2.504 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.360 -11.489 3.954 1.00 0.00 H new ATOM 123 N SER A 9 8.363 -9.276 -3.186 1.00 0.00 N ATOM 124 CA SER A 9 6.920 -9.116 -3.108 1.00 0.00 C ATOM 125 C SER A 9 6.515 -8.777 -1.676 1.00 0.00 C ATOM 126 O SER A 9 7.079 -9.312 -0.718 1.00 0.00 O ATOM 127 CB SER A 9 6.228 -10.395 -3.581 1.00 0.00 C ATOM 128 OG SER A 9 6.728 -10.799 -4.846 1.00 0.00 O ATOM 0 H SER A 9 8.692 -10.224 -3.005 1.00 0.00 H new ATOM 0 HA SER A 9 6.610 -8.298 -3.758 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.385 -11.190 -2.852 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.153 -10.230 -3.646 1.00 0.00 H new ATOM 0 HG SER A 9 6.274 -11.620 -5.130 1.00 0.00 H new ATOM 134 N TYR A 10 5.552 -7.881 -1.526 1.00 0.00 N ATOM 135 CA TYR A 10 5.158 -7.420 -0.205 1.00 0.00 C ATOM 136 C TYR A 10 3.669 -7.634 0.017 1.00 0.00 C ATOM 137 O TYR A 10 2.865 -7.465 -0.897 1.00 0.00 O ATOM 138 CB TYR A 10 5.498 -5.937 -0.033 1.00 0.00 C ATOM 139 CG TYR A 10 6.951 -5.608 -0.307 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.949 -5.984 0.582 1.00 0.00 C ATOM 141 CD2 TYR A 10 7.320 -4.926 -1.461 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.276 -5.687 0.333 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.644 -4.625 -1.717 1.00 0.00 C ATOM 144 CZ TYR A 10 9.617 -5.009 -0.819 1.00 0.00 C ATOM 145 OH TYR A 10 10.936 -4.712 -1.078 1.00 0.00 O ATOM 0 H TYR A 10 5.032 -7.461 -2.297 1.00 0.00 H new ATOM 0 HA TYR A 10 5.710 -8.000 0.534 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.870 -5.350 -0.702 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.252 -5.633 0.984 1.00 0.00 H new ATOM 0 HD1 TYR A 10 7.684 -6.517 1.483 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.560 -4.627 -2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.041 -5.984 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.915 -4.092 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 10 11.002 -4.233 -1.931 1.00 0.00 H new ATOM 155 N ARG A 11 3.312 -8.008 1.230 1.00 0.00 N ATOM 156 CA ARG A 11 1.921 -8.153 1.608 1.00 0.00 C ATOM 157 C ARG A 11 1.462 -6.915 2.356 1.00 0.00 C ATOM 158 O ARG A 11 2.271 -6.185 2.931 1.00 0.00 O ATOM 159 CB ARG A 11 1.709 -9.384 2.492 1.00 0.00 C ATOM 160 CG ARG A 11 1.967 -10.703 1.788 1.00 0.00 C ATOM 161 CD ARG A 11 1.582 -11.880 2.669 1.00 0.00 C ATOM 162 NE ARG A 11 1.662 -13.153 1.955 1.00 0.00 N ATOM 163 CZ ARG A 11 0.630 -13.721 1.327 1.00 0.00 C ATOM 164 NH1 ARG A 11 -0.552 -13.113 1.302 1.00 0.00 N ATOM 165 NH2 ARG A 11 0.782 -14.889 0.717 1.00 0.00 N ATOM 0 H ARG A 11 3.974 -8.219 1.977 1.00 0.00 H new ATOM 0 HA ARG A 11 1.337 -8.278 0.697 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.365 -9.313 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.685 -9.378 2.866 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.399 -10.740 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.021 -10.775 1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.239 -11.911 3.538 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.567 -11.737 3.041 1.00 0.00 H new ATOM 0 HE ARG A 11 2.560 -13.636 1.935 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.671 -12.211 1.763 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.339 -13.548 0.822 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.689 -15.355 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.008 -15.321 0.238 1.00 0.00 H new ATOM 179 N ILE A 12 0.168 -6.686 2.356 1.00 0.00 N ATOM 180 CA ILE A 12 -0.385 -5.544 3.057 1.00 0.00 C ATOM 181 C ILE A 12 -0.815 -5.959 4.457 1.00 0.00 C ATOM 182 O ILE A 12 -1.739 -6.758 4.622 1.00 0.00 O ATOM 183 CB ILE A 12 -1.590 -4.933 2.308 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.221 -4.643 0.849 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.048 -3.656 3.003 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.371 -4.110 0.018 1.00 0.00 C ATOM 0 H ILE A 12 -0.520 -7.271 1.882 1.00 0.00 H new ATOM 0 HA ILE A 12 0.394 -4.784 3.113 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.410 -5.651 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.405 -3.921 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.848 -5.559 0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.898 -3.234 2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.343 -3.885 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.231 -2.934 3.013 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.030 -3.930 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.180 -4.840 0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.731 -3.176 0.451 1.00 0.00 H new ATOM 198 N THR A 13 -0.128 -5.437 5.456 1.00 0.00 N ATOM 199 CA THR A 13 -0.456 -5.716 6.842 1.00 0.00 C ATOM 200 C THR A 13 -1.760 -5.026 7.222 1.00 0.00 C ATOM 201 O THR A 13 -2.550 -5.538 8.017 1.00 0.00 O ATOM 202 CB THR A 13 0.657 -5.224 7.770 1.00 0.00 C ATOM 203 OG1 THR A 13 1.906 -5.230 7.067 1.00 0.00 O ATOM 204 CG2 THR A 13 0.764 -6.099 9.009 1.00 0.00 C ATOM 0 H THR A 13 0.668 -4.812 5.331 1.00 0.00 H new ATOM 0 HA THR A 13 -0.565 -6.795 6.953 1.00 0.00 H new ATOM 0 HB THR A 13 0.416 -4.210 8.088 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.091 -4.332 6.722 1.00 0.00 H new ATOM 0 HG21 THR A 13 1.563 -5.726 9.650 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.180 -6.075 9.554 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.986 -7.124 8.712 1.00 0.00 H new ATOM 212 N GLY A 14 -1.984 -3.863 6.625 1.00 0.00 N ATOM 213 CA GLY A 14 -3.179 -3.101 6.901 1.00 0.00 C ATOM 214 C GLY A 14 -2.960 -1.630 6.656 1.00 0.00 C ATOM 215 O GLY A 14 -2.178 -1.251 5.787 1.00 0.00 O ATOM 0 H GLY A 14 -1.352 -3.434 5.950 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.994 -3.459 6.272 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.482 -3.258 7.936 1.00 0.00 H new ATOM 219 N TYR A 15 -3.629 -0.802 7.433 1.00 0.00 N ATOM 220 CA TYR A 15 -3.514 0.638 7.289 1.00 0.00 C ATOM 221 C TYR A 15 -2.846 1.217 8.525 1.00 0.00 C ATOM 222 O TYR A 15 -2.797 0.564 9.572 1.00 0.00 O ATOM 223 CB TYR A 15 -4.899 1.271 7.111 1.00 0.00 C ATOM 224 CG TYR A 15 -5.771 0.574 6.090 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.591 -0.483 6.462 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.779 0.974 4.759 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.395 -1.121 5.540 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.584 0.340 3.829 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.388 -0.707 4.227 1.00 0.00 C ATOM 230 OH TYR A 15 -8.196 -1.337 3.312 1.00 0.00 O ATOM 0 H TYR A 15 -4.261 -1.102 8.175 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.913 0.857 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.413 1.271 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.775 2.313 6.816 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.600 -0.811 7.491 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.147 1.792 4.446 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.027 -1.941 5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.583 0.663 2.798 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.778 -1.301 2.427 1.00 0.00 H new ATOM 240 N SER A 16 -2.313 2.419 8.401 1.00 0.00 N ATOM 241 CA SER A 16 -1.792 3.133 9.553 1.00 0.00 C ATOM 242 C SER A 16 -2.930 3.406 10.533 1.00 0.00 C ATOM 243 O SER A 16 -4.007 3.850 10.132 1.00 0.00 O ATOM 244 CB SER A 16 -1.131 4.447 9.121 1.00 0.00 C ATOM 245 OG SER A 16 -0.549 5.123 10.225 1.00 0.00 O ATOM 0 H SER A 16 -2.229 2.920 7.517 1.00 0.00 H new ATOM 0 HA SER A 16 -1.034 2.520 10.041 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.365 4.242 8.373 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.873 5.091 8.649 1.00 0.00 H new ATOM 0 HG SER A 16 -0.134 5.956 9.917 1.00 0.00 H new ATOM 251 N PRO A 17 -2.712 3.131 11.831 1.00 0.00 N ATOM 252 CA PRO A 17 -3.735 3.322 12.871 1.00 0.00 C ATOM 253 C PRO A 17 -4.204 4.771 12.978 1.00 0.00 C ATOM 254 O PRO A 17 -5.258 5.055 13.551 1.00 0.00 O ATOM 255 CB PRO A 17 -3.022 2.900 14.162 1.00 0.00 C ATOM 256 CG PRO A 17 -1.889 2.041 13.715 1.00 0.00 C ATOM 257 CD PRO A 17 -1.458 2.594 12.388 1.00 0.00 C ATOM 0 HA PRO A 17 -4.636 2.747 12.655 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.664 3.767 14.717 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.694 2.354 14.823 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -1.071 2.067 14.434 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.199 1.000 13.623 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.701 3.370 12.501 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.030 1.822 11.749 1.00 0.00 H new ATOM 265 N ALA A 18 -3.429 5.678 12.407 1.00 0.00 N ATOM 266 CA ALA A 18 -3.739 7.095 12.471 1.00 0.00 C ATOM 267 C ALA A 18 -4.316 7.591 11.148 1.00 0.00 C ATOM 268 O ALA A 18 -4.229 8.777 10.829 1.00 0.00 O ATOM 269 CB ALA A 18 -2.493 7.879 12.837 1.00 0.00 C ATOM 0 H ALA A 18 -2.577 5.456 11.892 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.495 7.249 13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.732 8.941 12.883 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.126 7.547 13.808 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.724 7.713 12.083 1.00 0.00 H new ATOM 275 N ILE A 19 -4.901 6.679 10.380 1.00 0.00 N ATOM 276 CA ILE A 19 -5.573 7.044 9.139 1.00 0.00 C ATOM 277 C ILE A 19 -6.871 7.793 9.459 1.00 0.00 C ATOM 278 O ILE A 19 -7.435 7.634 10.547 1.00 0.00 O ATOM 279 CB ILE A 19 -5.852 5.792 8.269 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.277 6.201 6.856 1.00 0.00 C ATOM 281 CG2 ILE A 19 -6.912 4.907 8.915 1.00 0.00 C ATOM 282 CD1 ILE A 19 -6.387 5.039 5.892 1.00 0.00 C ATOM 0 H ILE A 19 -4.923 5.682 10.595 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.920 7.701 8.564 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.929 5.217 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.240 6.710 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.558 6.920 6.464 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.091 4.035 8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.566 4.582 9.896 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.838 5.471 9.025 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.692 5.407 4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.420 4.543 5.808 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.128 4.330 6.260 1.00 0.00 H new ATOM 294 N SER A 20 -7.335 8.619 8.531 1.00 0.00 N ATOM 295 CA SER A 20 -8.461 9.500 8.804 1.00 0.00 C ATOM 296 C SER A 20 -9.609 9.323 7.813 1.00 0.00 C ATOM 297 O SER A 20 -9.409 9.361 6.595 1.00 0.00 O ATOM 298 CB SER A 20 -7.976 10.953 8.806 1.00 0.00 C ATOM 299 OG SER A 20 -7.080 11.199 7.729 1.00 0.00 O ATOM 0 H SER A 20 -6.952 8.697 7.589 1.00 0.00 H new ATOM 0 HA SER A 20 -8.858 9.233 9.784 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.831 11.624 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.480 11.172 9.752 1.00 0.00 H new ATOM 0 HG SER A 20 -6.788 12.134 7.754 1.00 0.00 H new ATOM 305 N ASN A 21 -10.805 9.100 8.362 1.00 0.00 N ATOM 306 CA ASN A 21 -12.053 9.146 7.599 1.00 0.00 C ATOM 307 C ASN A 21 -12.130 8.052 6.542 1.00 0.00 C ATOM 308 O ASN A 21 -11.469 7.012 6.645 1.00 0.00 O ATOM 309 CB ASN A 21 -12.225 10.528 6.953 1.00 0.00 C ATOM 310 CG ASN A 21 -12.531 11.610 7.972 1.00 0.00 C ATOM 311 OD1 ASN A 21 -11.624 12.238 8.522 1.00 0.00 O ATOM 312 ND2 ASN A 21 -13.811 11.845 8.228 1.00 0.00 N ATOM 0 H ASN A 21 -10.935 8.882 9.350 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.868 8.968 8.300 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.315 10.789 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.030 10.485 6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.073 12.566 8.900 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.534 11.304 7.753 1.00 0.00 H new ATOM 319 N GLY A 22 -12.944 8.303 5.522 1.00 0.00 N ATOM 320 CA GLY A 22 -13.190 7.324 4.486 1.00 0.00 C ATOM 321 C GLY A 22 -12.037 7.176 3.513 1.00 0.00 C ATOM 322 O GLY A 22 -12.196 6.593 2.440 1.00 0.00 O ATOM 0 H GLY A 22 -13.444 9.183 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.391 6.358 4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.087 7.606 3.935 1.00 0.00 H new ATOM 326 N TYR A 23 -10.872 7.694 3.885 1.00 0.00 N ATOM 327 CA TYR A 23 -9.669 7.519 3.085 1.00 0.00 C ATOM 328 C TYR A 23 -9.347 6.036 3.002 1.00 0.00 C ATOM 329 O TYR A 23 -8.907 5.534 1.969 1.00 0.00 O ATOM 330 CB TYR A 23 -8.497 8.284 3.712 1.00 0.00 C ATOM 331 CG TYR A 23 -7.330 8.514 2.774 1.00 0.00 C ATOM 332 CD1 TYR A 23 -7.363 9.545 1.843 1.00 0.00 C ATOM 333 CD2 TYR A 23 -6.192 7.716 2.832 1.00 0.00 C ATOM 334 CE1 TYR A 23 -6.296 9.776 0.995 1.00 0.00 C ATOM 335 CE2 TYR A 23 -5.121 7.938 1.984 1.00 0.00 C ATOM 336 CZ TYR A 23 -5.178 8.970 1.068 1.00 0.00 C ATOM 337 OH TYR A 23 -4.111 9.207 0.233 1.00 0.00 O ATOM 0 H TYR A 23 -10.737 8.239 4.737 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.835 7.914 2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.857 9.249 4.068 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.144 7.734 4.584 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.237 10.176 1.781 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.144 6.911 3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.337 10.583 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -4.246 7.308 2.038 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.404 8.552 0.412 1.00 0.00 H new ATOM 347 N ARG A 24 -9.609 5.339 4.101 1.00 0.00 N ATOM 348 CA ARG A 24 -9.443 3.901 4.166 1.00 0.00 C ATOM 349 C ARG A 24 -10.412 3.213 3.218 1.00 0.00 C ATOM 350 O ARG A 24 -10.059 2.246 2.547 1.00 0.00 O ATOM 351 CB ARG A 24 -9.675 3.429 5.586 1.00 0.00 C ATOM 352 CG ARG A 24 -9.137 2.043 5.831 1.00 0.00 C ATOM 353 CD ARG A 24 -10.190 0.968 5.618 1.00 0.00 C ATOM 354 NE ARG A 24 -11.346 1.136 6.493 1.00 0.00 N ATOM 355 CZ ARG A 24 -12.268 0.199 6.690 1.00 0.00 C ATOM 356 NH1 ARG A 24 -12.159 -0.984 6.096 1.00 0.00 N ATOM 357 NH2 ARG A 24 -13.291 0.447 7.493 1.00 0.00 N ATOM 0 H ARG A 24 -9.942 5.759 4.969 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.427 3.645 3.864 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.203 4.126 6.278 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.744 3.443 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.294 1.860 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.757 1.979 6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.519 0.987 4.579 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.745 -0.012 5.793 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.453 2.025 6.982 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.365 -1.177 5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.869 -1.700 6.250 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.368 1.353 7.956 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.002 -0.268 7.649 1.00 0.00 H new ATOM 371 N GLN A 25 -11.633 3.728 3.153 1.00 0.00 N ATOM 372 CA GLN A 25 -12.649 3.165 2.291 1.00 0.00 C ATOM 373 C GLN A 25 -12.291 3.399 0.835 1.00 0.00 C ATOM 374 O GLN A 25 -12.556 2.560 -0.023 1.00 0.00 O ATOM 375 CB GLN A 25 -14.001 3.789 2.599 1.00 0.00 C ATOM 376 CG GLN A 25 -14.505 3.513 4.004 1.00 0.00 C ATOM 377 CD GLN A 25 -15.878 4.107 4.251 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.184 5.207 3.577 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.662 3.578 5.041 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.939 4.538 3.692 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.704 2.092 2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.933 4.867 2.454 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.733 3.417 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.543 2.436 4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.799 3.922 4.727 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.389 2.732 5.541 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.584 3.986 5.195 1.00 0.00 H new ATOM 388 N ARG A 26 -11.683 4.546 0.566 1.00 0.00 N ATOM 389 CA ARG A 26 -11.225 4.875 -0.773 1.00 0.00 C ATOM 390 C ARG A 26 -10.131 3.900 -1.196 1.00 0.00 C ATOM 391 O ARG A 26 -10.111 3.424 -2.329 1.00 0.00 O ATOM 392 CB ARG A 26 -10.703 6.313 -0.802 1.00 0.00 C ATOM 393 CG ARG A 26 -10.554 6.893 -2.198 1.00 0.00 C ATOM 394 CD ARG A 26 -10.101 8.344 -2.141 1.00 0.00 C ATOM 395 NE ARG A 26 -10.170 8.995 -3.447 1.00 0.00 N ATOM 396 CZ ARG A 26 -9.931 10.292 -3.645 1.00 0.00 C ATOM 397 NH1 ARG A 26 -9.559 11.069 -2.632 1.00 0.00 N ATOM 398 NH2 ARG A 26 -10.043 10.809 -4.860 1.00 0.00 N ATOM 0 H ARG A 26 -11.496 5.267 1.263 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.057 4.792 -1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.381 6.945 -0.228 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.735 6.347 -0.301 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -9.832 6.305 -2.765 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.505 6.826 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.723 8.890 -1.432 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -9.078 8.389 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.416 8.424 -4.255 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.455 10.674 -1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.378 12.060 -2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.312 10.215 -5.644 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.860 11.801 -5.011 1.00 0.00 H new ATOM 412 N LEU A 27 -9.239 3.593 -0.260 1.00 0.00 N ATOM 413 CA LEU A 27 -8.166 2.629 -0.491 1.00 0.00 C ATOM 414 C LEU A 27 -8.745 1.229 -0.666 1.00 0.00 C ATOM 415 O LEU A 27 -8.346 0.481 -1.561 1.00 0.00 O ATOM 416 CB LEU A 27 -7.190 2.651 0.690 1.00 0.00 C ATOM 417 CG LEU A 27 -6.443 3.971 0.900 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.702 3.960 2.226 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.476 4.225 -0.246 1.00 0.00 C ATOM 0 H LEU A 27 -9.238 4.002 0.675 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.632 2.902 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.742 2.417 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.457 1.857 0.549 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.174 4.779 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.177 4.906 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.414 3.824 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.982 3.142 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.954 5.167 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.751 3.413 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.029 4.277 -1.184 1.00 0.00 H new ATOM 431 N PHE A 28 -9.698 0.898 0.193 1.00 0.00 N ATOM 432 CA PHE A 28 -10.386 -0.387 0.160 1.00 0.00 C ATOM 433 C PHE A 28 -11.085 -0.584 -1.180 1.00 0.00 C ATOM 434 O PHE A 28 -11.006 -1.655 -1.787 1.00 0.00 O ATOM 435 CB PHE A 28 -11.409 -0.435 1.292 1.00 0.00 C ATOM 436 CG PHE A 28 -11.953 -1.807 1.583 1.00 0.00 C ATOM 437 CD1 PHE A 28 -11.238 -2.698 2.368 1.00 0.00 C ATOM 438 CD2 PHE A 28 -13.179 -2.206 1.074 1.00 0.00 C ATOM 439 CE1 PHE A 28 -11.739 -3.955 2.645 1.00 0.00 C ATOM 440 CE2 PHE A 28 -13.685 -3.462 1.347 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.962 -4.339 2.132 1.00 0.00 C ATOM 0 H PHE A 28 -10.019 1.517 0.938 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.657 -1.187 0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.948 -0.041 2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.239 0.226 1.043 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.278 -2.406 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -13.746 -1.526 0.456 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -11.174 -4.637 3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -14.644 -3.758 0.948 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.353 -5.323 2.344 1.00 0.00 H new ATOM 451 N SER A 29 -11.755 0.465 -1.633 1.00 0.00 N ATOM 452 CA SER A 29 -12.462 0.446 -2.906 1.00 0.00 C ATOM 453 C SER A 29 -11.489 0.273 -4.065 1.00 0.00 C ATOM 454 O SER A 29 -11.808 -0.363 -5.069 1.00 0.00 O ATOM 455 CB SER A 29 -13.252 1.743 -3.087 1.00 0.00 C ATOM 456 OG SER A 29 -14.206 1.908 -2.050 1.00 0.00 O ATOM 0 H SER A 29 -11.824 1.350 -1.131 1.00 0.00 H new ATOM 0 HA SER A 29 -13.150 -0.400 -2.900 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.568 2.591 -3.094 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.758 1.733 -4.053 1.00 0.00 H new ATOM 0 HG SER A 29 -13.742 2.058 -1.200 1.00 0.00 H new ATOM 462 N MET A 30 -10.299 0.836 -3.912 1.00 0.00 N ATOM 463 CA MET A 30 -9.287 0.781 -4.960 1.00 0.00 C ATOM 464 C MET A 30 -8.595 -0.575 -4.991 1.00 0.00 C ATOM 465 O MET A 30 -7.942 -0.924 -5.975 1.00 0.00 O ATOM 466 CB MET A 30 -8.262 1.904 -4.785 1.00 0.00 C ATOM 467 CG MET A 30 -8.812 3.274 -5.155 1.00 0.00 C ATOM 468 SD MET A 30 -7.545 4.554 -5.229 1.00 0.00 S ATOM 469 CE MET A 30 -6.960 4.561 -3.533 1.00 0.00 C ATOM 0 H MET A 30 -10.009 1.337 -3.072 1.00 0.00 H new ATOM 0 HA MET A 30 -9.793 0.921 -5.915 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.924 1.922 -3.749 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.389 1.691 -5.401 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.310 3.209 -6.122 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.569 3.563 -4.426 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.276 5.397 -3.388 1.00 0.00 H new ATOM 0 HE2 MET A 30 -7.808 4.664 -2.856 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.440 3.626 -3.324 1.00 0.00 H new ATOM 479 N GLY A 31 -8.743 -1.336 -3.916 1.00 0.00 N ATOM 480 CA GLY A 31 -8.218 -2.687 -3.895 1.00 0.00 C ATOM 481 C GLY A 31 -7.077 -2.862 -2.921 1.00 0.00 C ATOM 482 O GLY A 31 -6.392 -3.884 -2.937 1.00 0.00 O ATOM 0 H GLY A 31 -9.215 -1.044 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.020 -3.378 -3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.878 -2.955 -4.896 1.00 0.00 H new ATOM 486 N LEU A 32 -6.871 -1.877 -2.066 1.00 0.00 N ATOM 487 CA LEU A 32 -5.808 -1.947 -1.078 1.00 0.00 C ATOM 488 C LEU A 32 -6.373 -2.338 0.279 1.00 0.00 C ATOM 489 O LEU A 32 -6.881 -1.494 1.017 1.00 0.00 O ATOM 490 CB LEU A 32 -5.065 -0.610 -0.987 1.00 0.00 C ATOM 491 CG LEU A 32 -4.388 -0.153 -2.284 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.737 1.208 -2.094 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.358 -1.177 -2.739 1.00 0.00 C ATOM 0 H LEU A 32 -7.424 -1.020 -2.035 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.096 -2.711 -1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.770 0.159 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.307 -0.685 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.151 -0.066 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.261 1.517 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.496 1.939 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.986 1.145 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.888 -0.835 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.598 -1.296 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.849 -2.134 -2.915 1.00 0.00 H new ATOM 505 N LEU A 33 -6.313 -3.625 0.592 1.00 0.00 N ATOM 506 CA LEU A 33 -6.827 -4.129 1.852 1.00 0.00 C ATOM 507 C LEU A 33 -5.813 -5.059 2.515 1.00 0.00 C ATOM 508 O LEU A 33 -4.989 -5.681 1.834 1.00 0.00 O ATOM 509 CB LEU A 33 -8.161 -4.862 1.642 1.00 0.00 C ATOM 510 CG LEU A 33 -8.110 -6.126 0.775 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.313 -7.009 1.066 1.00 0.00 C ATOM 512 CD2 LEU A 33 -8.078 -5.769 -0.706 1.00 0.00 C ATOM 0 H LEU A 33 -5.911 -4.340 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.000 -3.277 2.510 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.561 -5.133 2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.867 -4.165 1.191 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.197 -6.669 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.267 -7.904 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.307 -7.297 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.229 -6.461 0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.042 -6.682 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.974 -5.204 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.195 -5.165 -0.916 1.00 0.00 H new ATOM 524 N PRO A 34 -5.856 -5.155 3.855 1.00 0.00 N ATOM 525 CA PRO A 34 -4.955 -6.024 4.620 1.00 0.00 C ATOM 526 C PRO A 34 -5.142 -7.495 4.270 1.00 0.00 C ATOM 527 O PRO A 34 -6.267 -7.966 4.088 1.00 0.00 O ATOM 528 CB PRO A 34 -5.351 -5.771 6.079 1.00 0.00 C ATOM 529 CG PRO A 34 -6.722 -5.190 6.018 1.00 0.00 C ATOM 530 CD PRO A 34 -6.790 -4.425 4.729 1.00 0.00 C ATOM 0 HA PRO A 34 -3.908 -5.805 4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.341 -6.696 6.656 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.655 -5.086 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -7.479 -5.973 6.047 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.907 -4.536 6.870 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -7.800 -4.415 4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.489 -3.386 4.861 1.00 0.00 H new ATOM 538 N GLY A 35 -4.038 -8.216 4.167 1.00 0.00 N ATOM 539 CA GLY A 35 -4.103 -9.629 3.867 1.00 0.00 C ATOM 540 C GLY A 35 -3.655 -9.937 2.457 1.00 0.00 C ATOM 541 O GLY A 35 -3.178 -11.038 2.178 1.00 0.00 O ATOM 0 H GLY A 35 -3.095 -7.846 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.478 -10.177 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.125 -9.981 4.006 1.00 0.00 H new ATOM 545 N ALA A 36 -3.793 -8.965 1.566 1.00 0.00 N ATOM 546 CA ALA A 36 -3.431 -9.147 0.180 1.00 0.00 C ATOM 547 C ALA A 36 -1.939 -8.928 -0.006 1.00 0.00 C ATOM 548 O ALA A 36 -1.194 -8.755 0.962 1.00 0.00 O ATOM 549 CB ALA A 36 -4.228 -8.193 -0.697 1.00 0.00 C ATOM 0 H ALA A 36 -4.156 -8.038 1.787 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.667 -10.169 -0.117 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.948 -8.338 -1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.293 -8.391 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.015 -7.165 -0.404 1.00 0.00 H new ATOM 555 N ALA A 37 -1.521 -8.916 -1.252 1.00 0.00 N ATOM 556 CA ALA A 37 -0.113 -8.790 -1.592 1.00 0.00 C ATOM 557 C ALA A 37 0.071 -7.988 -2.873 1.00 0.00 C ATOM 558 O ALA A 37 -0.736 -8.081 -3.799 1.00 0.00 O ATOM 559 CB ALA A 37 0.522 -10.165 -1.738 1.00 0.00 C ATOM 0 H ALA A 37 -2.141 -8.993 -2.058 1.00 0.00 H new ATOM 0 HA ALA A 37 0.383 -8.256 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.576 -10.054 -1.993 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.431 -10.709 -0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.014 -10.718 -2.528 1.00 0.00 H new ATOM 565 N LEU A 38 1.133 -7.203 -2.911 1.00 0.00 N ATOM 566 CA LEU A 38 1.469 -6.408 -4.078 1.00 0.00 C ATOM 567 C LEU A 38 2.823 -6.836 -4.616 1.00 0.00 C ATOM 568 O LEU A 38 3.763 -7.076 -3.853 1.00 0.00 O ATOM 569 CB LEU A 38 1.501 -4.918 -3.732 1.00 0.00 C ATOM 570 CG LEU A 38 0.195 -4.346 -3.173 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.380 -2.891 -2.769 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.928 -4.473 -4.192 1.00 0.00 C ATOM 0 H LEU A 38 1.786 -7.099 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 38 0.704 -6.570 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.294 -4.748 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.768 -4.360 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.077 -4.921 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.558 -2.501 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.153 -2.821 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.678 -2.307 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.847 -4.061 -3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.663 -3.925 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.080 -5.524 -4.436 1.00 0.00 H new ATOM 584 N ARG A 39 2.916 -6.935 -5.922 1.00 0.00 N ATOM 585 CA ARG A 39 4.144 -7.341 -6.573 1.00 0.00 C ATOM 586 C ARG A 39 4.848 -6.110 -7.133 1.00 0.00 C ATOM 587 O ARG A 39 4.294 -5.400 -7.973 1.00 0.00 O ATOM 588 CB ARG A 39 3.816 -8.352 -7.677 1.00 0.00 C ATOM 589 CG ARG A 39 5.026 -8.978 -8.345 1.00 0.00 C ATOM 590 CD ARG A 39 4.614 -10.180 -9.186 1.00 0.00 C ATOM 591 NE ARG A 39 5.741 -10.787 -9.890 1.00 0.00 N ATOM 592 CZ ARG A 39 6.342 -11.916 -9.506 1.00 0.00 C ATOM 593 NH1 ARG A 39 5.963 -12.543 -8.396 1.00 0.00 N ATOM 594 NH2 ARG A 39 7.329 -12.420 -10.231 1.00 0.00 N ATOM 0 H ARG A 39 2.147 -6.738 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 39 4.815 -7.820 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.201 -9.146 -7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.214 -7.855 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.523 -8.240 -8.975 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.747 -9.287 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.148 -10.926 -8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.862 -9.870 -9.911 1.00 0.00 H new ATOM 0 HE ARG A 39 6.090 -10.320 -10.727 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.206 -12.162 -7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.429 -13.405 -8.112 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.630 -11.946 -11.082 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.788 -13.282 -9.938 1.00 0.00 H new ATOM 608 N VAL A 40 6.046 -5.846 -6.626 1.00 0.00 N ATOM 609 CA VAL A 40 6.805 -4.659 -7.004 1.00 0.00 C ATOM 610 C VAL A 40 7.152 -4.661 -8.486 1.00 0.00 C ATOM 611 O VAL A 40 7.676 -5.638 -9.027 1.00 0.00 O ATOM 612 CB VAL A 40 8.100 -4.522 -6.159 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.058 -5.671 -6.423 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.784 -3.187 -6.419 1.00 0.00 C ATOM 0 H VAL A 40 6.517 -6.443 -5.946 1.00 0.00 H new ATOM 0 HA VAL A 40 6.165 -3.800 -6.803 1.00 0.00 H new ATOM 0 HB VAL A 40 7.810 -4.560 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.954 -5.544 -5.816 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.575 -6.614 -6.165 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.333 -5.680 -7.478 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.688 -3.118 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.047 -3.112 -7.474 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.108 -2.374 -6.155 1.00 0.00 H new ATOM 624 N VAL A 41 6.804 -3.571 -9.140 1.00 0.00 N ATOM 625 CA VAL A 41 7.228 -3.331 -10.499 1.00 0.00 C ATOM 626 C VAL A 41 8.546 -2.573 -10.479 1.00 0.00 C ATOM 627 O VAL A 41 9.562 -3.091 -10.933 1.00 0.00 O ATOM 628 CB VAL A 41 6.176 -2.528 -11.299 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.671 -2.248 -12.710 1.00 0.00 C ATOM 630 CG2 VAL A 41 4.846 -3.268 -11.334 1.00 0.00 C ATOM 0 H VAL A 41 6.223 -2.832 -8.745 1.00 0.00 H new ATOM 0 HA VAL A 41 7.349 -4.295 -10.994 1.00 0.00 H new ATOM 0 HB VAL A 41 6.023 -1.573 -10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.915 -1.682 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.594 -1.670 -12.664 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.859 -3.191 -13.224 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.120 -2.686 -11.902 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.983 -4.240 -11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.481 -3.409 -10.317 1.00 0.00 H new ATOM 640 N ARG A 42 8.523 -1.367 -9.895 1.00 0.00 N ATOM 641 CA ARG A 42 9.706 -0.491 -9.834 1.00 0.00 C ATOM 642 C ARG A 42 9.500 0.667 -8.853 1.00 0.00 C ATOM 643 O ARG A 42 8.372 1.064 -8.560 1.00 0.00 O ATOM 644 CB ARG A 42 10.048 0.134 -11.205 1.00 0.00 C ATOM 645 CG ARG A 42 10.646 -0.818 -12.230 1.00 0.00 C ATOM 646 CD ARG A 42 11.308 -0.061 -13.370 1.00 0.00 C ATOM 647 NE ARG A 42 12.553 0.578 -12.940 1.00 0.00 N ATOM 648 CZ ARG A 42 13.013 1.735 -13.413 1.00 0.00 C ATOM 649 NH1 ARG A 42 12.310 2.437 -14.296 1.00 0.00 N ATOM 650 NH2 ARG A 42 14.176 2.205 -12.987 1.00 0.00 N ATOM 0 H ARG A 42 7.692 -0.972 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 42 10.521 -1.136 -9.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.139 0.567 -11.624 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.748 0.955 -11.046 1.00 0.00 H new ATOM 0 HG2 ARG A 42 11.379 -1.463 -11.746 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.864 -1.466 -12.627 1.00 0.00 H new ATOM 0 HD2 ARG A 42 11.515 -0.747 -14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.623 0.696 -13.752 1.00 0.00 H new ATOM 0 HE ARG A 42 13.108 0.103 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 42 11.407 2.091 -14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.674 3.322 -14.650 1.00 0.00 H new ATOM 0 HH21 ARG A 42 14.717 1.681 -12.299 1.00 0.00 H new ATOM 0 HH22 ARG A 42 14.531 3.091 -13.347 1.00 0.00 H new ATOM 664 N ILE A 43 10.610 1.192 -8.346 1.00 0.00 N ATOM 665 CA ILE A 43 10.632 2.495 -7.688 1.00 0.00 C ATOM 666 C ILE A 43 11.543 3.403 -8.514 1.00 0.00 C ATOM 667 O ILE A 43 12.729 3.106 -8.664 1.00 0.00 O ATOM 668 CB ILE A 43 11.173 2.456 -6.230 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.207 1.721 -5.293 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.435 3.875 -5.706 1.00 0.00 C ATOM 671 CD1 ILE A 43 10.249 0.213 -5.416 1.00 0.00 C ATOM 0 H ILE A 43 11.518 0.729 -8.379 1.00 0.00 H new ATOM 0 HA ILE A 43 9.604 2.853 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 43 12.115 1.907 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.437 1.997 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.192 2.063 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.813 3.822 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.172 4.367 -6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.506 4.445 -5.720 1.00 0.00 H new ATOM 0 HD11 ILE A 43 9.536 -0.229 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.988 -0.076 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.252 -0.143 -5.183 1.00 0.00 H new ATOM 683 N ALA A 44 10.990 4.467 -9.081 1.00 0.00 N ATOM 684 CA ALA A 44 11.757 5.380 -9.934 1.00 0.00 C ATOM 685 C ALA A 44 13.007 5.904 -9.228 1.00 0.00 C ATOM 686 O ALA A 44 12.947 6.314 -8.069 1.00 0.00 O ATOM 687 CB ALA A 44 10.882 6.546 -10.367 1.00 0.00 C ATOM 0 H ALA A 44 10.009 4.724 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 44 12.081 4.818 -10.810 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.460 7.219 -11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.024 6.170 -10.925 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.534 7.086 -9.487 1.00 0.00 H new ATOM 693 N PRO A 45 14.153 5.912 -9.933 1.00 0.00 N ATOM 694 CA PRO A 45 15.425 6.407 -9.382 1.00 0.00 C ATOM 695 C PRO A 45 15.401 7.916 -9.144 1.00 0.00 C ATOM 696 O PRO A 45 16.376 8.501 -8.673 1.00 0.00 O ATOM 697 CB PRO A 45 16.449 6.047 -10.461 1.00 0.00 C ATOM 698 CG PRO A 45 15.657 5.951 -11.720 1.00 0.00 C ATOM 699 CD PRO A 45 14.306 5.429 -11.319 1.00 0.00 C ATOM 0 HA PRO A 45 15.647 5.969 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 45 17.226 6.808 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.948 5.105 -10.234 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.572 6.924 -12.203 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.138 5.282 -12.434 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.518 5.812 -11.968 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.263 4.341 -11.373 1.00 0.00 H new ATOM 707 N LEU A 46 14.279 8.534 -9.493 1.00 0.00 N ATOM 708 CA LEU A 46 14.044 9.946 -9.222 1.00 0.00 C ATOM 709 C LEU A 46 14.006 10.203 -7.727 1.00 0.00 C ATOM 710 O LEU A 46 14.333 11.294 -7.258 1.00 0.00 O ATOM 711 CB LEU A 46 12.713 10.389 -9.832 1.00 0.00 C ATOM 712 CG LEU A 46 12.748 10.762 -11.319 1.00 0.00 C ATOM 713 CD1 LEU A 46 13.820 11.806 -11.584 1.00 0.00 C ATOM 714 CD2 LEU A 46 12.969 9.534 -12.186 1.00 0.00 C ATOM 0 H LEU A 46 13.507 8.070 -9.972 1.00 0.00 H new ATOM 0 HA LEU A 46 14.861 10.514 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.988 9.586 -9.696 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.346 11.248 -9.270 1.00 0.00 H new ATOM 0 HG LEU A 46 11.780 11.188 -11.582 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.829 12.057 -12.645 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.608 12.702 -11.001 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.794 11.409 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.989 9.828 -13.235 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.918 9.068 -11.921 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.158 8.824 -12.024 1.00 0.00 H new ATOM 726 N GLY A 47 13.595 9.187 -6.991 1.00 0.00 N ATOM 727 CA GLY A 47 13.436 9.312 -5.567 1.00 0.00 C ATOM 728 C GLY A 47 12.486 8.283 -5.043 1.00 0.00 C ATOM 729 O GLY A 47 12.913 7.280 -4.470 1.00 0.00 O ATOM 0 H GLY A 47 13.366 8.266 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.404 9.201 -5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.068 10.309 -5.324 1.00 0.00 H new ATOM 733 N ASP A 48 11.195 8.511 -5.255 1.00 0.00 N ATOM 734 CA ASP A 48 10.211 7.530 -4.847 1.00 0.00 C ATOM 735 C ASP A 48 8.825 7.782 -5.406 1.00 0.00 C ATOM 736 O ASP A 48 8.217 8.840 -5.213 1.00 0.00 O ATOM 737 CB ASP A 48 10.125 7.555 -3.319 1.00 0.00 C ATOM 738 CG ASP A 48 8.999 6.704 -2.759 1.00 0.00 C ATOM 739 OD1 ASP A 48 7.866 7.224 -2.639 1.00 0.00 O ATOM 740 OD2 ASP A 48 9.248 5.530 -2.414 1.00 0.00 O ATOM 0 H ASP A 48 10.816 9.348 -5.697 1.00 0.00 H new ATOM 0 HA ASP A 48 10.537 6.566 -5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.072 7.208 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.990 8.585 -2.988 1.00 0.00 H new ATOM 745 N PRO A 49 8.354 6.798 -6.161 1.00 0.00 N ATOM 746 CA PRO A 49 7.006 6.312 -6.180 1.00 0.00 C ATOM 747 C PRO A 49 7.021 4.851 -5.761 1.00 0.00 C ATOM 748 O PRO A 49 8.045 4.338 -5.310 1.00 0.00 O ATOM 749 CB PRO A 49 6.686 6.417 -7.667 1.00 0.00 C ATOM 750 CG PRO A 49 8.005 6.137 -8.347 1.00 0.00 C ATOM 751 CD PRO A 49 9.075 6.183 -7.266 1.00 0.00 C ATOM 0 HA PRO A 49 6.305 6.836 -5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.924 5.696 -7.963 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.307 7.406 -7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.989 5.162 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.206 6.877 -9.121 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.443 5.189 -7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.939 6.774 -7.570 1.00 0.00 H new ATOM 759 N ILE A 50 5.920 4.173 -5.934 1.00 0.00 N ATOM 760 CA ILE A 50 5.921 2.733 -5.789 1.00 0.00 C ATOM 761 C ILE A 50 5.032 2.121 -6.856 1.00 0.00 C ATOM 762 O ILE A 50 3.806 2.143 -6.751 1.00 0.00 O ATOM 763 CB ILE A 50 5.464 2.263 -4.383 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.386 2.834 -3.297 1.00 0.00 C ATOM 765 CG2 ILE A 50 5.440 0.741 -4.307 1.00 0.00 C ATOM 766 CD1 ILE A 50 6.007 2.428 -1.889 1.00 0.00 C ATOM 0 H ILE A 50 5.017 4.583 -6.173 1.00 0.00 H new ATOM 0 HA ILE A 50 6.950 2.396 -5.909 1.00 0.00 H new ATOM 0 HB ILE A 50 4.454 2.635 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.407 2.509 -3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.379 3.922 -3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.117 0.431 -3.313 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.747 0.350 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.439 0.351 -4.502 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.707 2.872 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.998 2.777 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.043 1.342 -1.801 1.00 0.00 H new ATOM 778 N GLN A 51 5.661 1.620 -7.900 1.00 0.00 N ATOM 779 CA GLN A 51 4.951 0.974 -8.984 1.00 0.00 C ATOM 780 C GLN A 51 4.768 -0.491 -8.625 1.00 0.00 C ATOM 781 O GLN A 51 5.750 -1.210 -8.452 1.00 0.00 O ATOM 782 CB GLN A 51 5.755 1.106 -10.283 1.00 0.00 C ATOM 783 CG GLN A 51 4.953 0.901 -11.563 1.00 0.00 C ATOM 784 CD GLN A 51 3.970 2.024 -11.838 1.00 0.00 C ATOM 785 OE1 GLN A 51 3.411 2.619 -10.924 1.00 0.00 O ATOM 786 NE2 GLN A 51 3.784 2.347 -13.106 1.00 0.00 N ATOM 0 H GLN A 51 6.673 1.649 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 51 3.979 1.444 -9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.209 2.096 -10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.570 0.382 -10.263 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.640 0.814 -12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.409 -0.041 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.267 1.829 -13.840 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.158 3.114 -13.350 1.00 0.00 H new ATOM 795 N VAL A 52 3.530 -0.924 -8.473 1.00 0.00 N ATOM 796 CA VAL A 52 3.244 -2.298 -8.084 1.00 0.00 C ATOM 797 C VAL A 52 2.103 -2.857 -8.907 1.00 0.00 C ATOM 798 O VAL A 52 1.512 -2.148 -9.716 1.00 0.00 O ATOM 799 CB VAL A 52 2.878 -2.417 -6.588 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.097 -2.213 -5.710 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.779 -1.428 -6.225 1.00 0.00 C ATOM 0 H VAL A 52 2.702 -0.344 -8.613 1.00 0.00 H new ATOM 0 HA VAL A 52 4.155 -2.868 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 52 2.504 -3.426 -6.411 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.810 -2.302 -4.662 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.846 -2.968 -5.946 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.513 -1.221 -5.889 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.535 -1.527 -5.167 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.122 -0.413 -6.425 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.891 -1.635 -6.823 1.00 0.00 H new ATOM 811 N GLU A 53 1.804 -4.126 -8.703 1.00 0.00 N ATOM 812 CA GLU A 53 0.684 -4.760 -9.361 1.00 0.00 C ATOM 813 C GLU A 53 0.087 -5.814 -8.441 1.00 0.00 C ATOM 814 O GLU A 53 0.817 -6.547 -7.773 1.00 0.00 O ATOM 815 CB GLU A 53 1.124 -5.404 -10.679 1.00 0.00 C ATOM 816 CG GLU A 53 -0.029 -5.995 -11.471 1.00 0.00 C ATOM 817 CD GLU A 53 0.418 -6.686 -12.738 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.805 -7.870 -12.665 1.00 0.00 O ATOM 819 OE2 GLU A 53 0.367 -6.059 -13.815 1.00 0.00 O ATOM 0 H GLU A 53 2.328 -4.741 -8.080 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.067 -4.003 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.630 -4.656 -11.290 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.851 -6.188 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.565 -6.708 -10.845 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.732 -5.202 -11.725 1.00 0.00 H new ATOM 826 N THR A 54 -1.233 -5.886 -8.403 1.00 0.00 N ATOM 827 CA THR A 54 -1.926 -6.899 -7.615 1.00 0.00 C ATOM 828 C THR A 54 -2.073 -8.186 -8.433 1.00 0.00 C ATOM 829 O THR A 54 -2.998 -8.973 -8.221 1.00 0.00 O ATOM 830 CB THR A 54 -3.316 -6.384 -7.191 1.00 0.00 C ATOM 831 OG1 THR A 54 -3.261 -4.963 -7.002 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.771 -7.049 -5.896 1.00 0.00 C ATOM 0 H THR A 54 -1.851 -5.253 -8.910 1.00 0.00 H new ATOM 0 HA THR A 54 -1.341 -7.110 -6.720 1.00 0.00 H new ATOM 0 HB THR A 54 -4.030 -6.630 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.144 -4.634 -6.734 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.754 -6.669 -5.618 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.827 -8.128 -6.041 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.058 -6.826 -5.102 1.00 0.00 H new ATOM 840 N ARG A 55 -1.138 -8.380 -9.368 1.00 0.00 N ATOM 841 CA ARG A 55 -1.160 -9.505 -10.307 1.00 0.00 C ATOM 842 C ARG A 55 -2.346 -9.363 -11.263 1.00 0.00 C ATOM 843 O ARG A 55 -2.729 -10.297 -11.968 1.00 0.00 O ATOM 844 CB ARG A 55 -1.202 -10.835 -9.547 1.00 0.00 C ATOM 845 CG ARG A 55 -1.032 -12.062 -10.424 1.00 0.00 C ATOM 846 CD ARG A 55 -1.023 -13.333 -9.597 1.00 0.00 C ATOM 847 NE ARG A 55 0.190 -13.457 -8.787 1.00 0.00 N ATOM 848 CZ ARG A 55 0.214 -13.390 -7.457 1.00 0.00 C ATOM 849 NH1 ARG A 55 -0.885 -13.088 -6.772 1.00 0.00 N ATOM 850 NH2 ARG A 55 1.352 -13.596 -6.813 1.00 0.00 N ATOM 0 H ARG A 55 -0.340 -7.757 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.246 -9.496 -10.901 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.417 -10.832 -8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.153 -10.909 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.841 -12.106 -11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.101 -11.984 -10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.896 -13.346 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.106 -14.195 -10.258 1.00 0.00 H new ATOM 0 HE ARG A 55 1.075 -13.604 -9.273 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.759 -12.905 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.854 -13.040 -5.754 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.203 -13.804 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.378 -13.546 -5.795 1.00 0.00 H new ATOM 864 N GLN A 56 -2.903 -8.162 -11.305 1.00 0.00 N ATOM 865 CA GLN A 56 -4.034 -7.868 -12.164 1.00 0.00 C ATOM 866 C GLN A 56 -3.852 -6.490 -12.785 1.00 0.00 C ATOM 867 O GLN A 56 -3.575 -6.361 -13.976 1.00 0.00 O ATOM 868 CB GLN A 56 -5.338 -7.920 -11.358 1.00 0.00 C ATOM 869 CG GLN A 56 -6.589 -7.808 -12.211 1.00 0.00 C ATOM 870 CD GLN A 56 -7.856 -7.717 -11.380 1.00 0.00 C ATOM 871 OE1 GLN A 56 -8.319 -6.622 -11.049 1.00 0.00 O ATOM 872 NE2 GLN A 56 -8.416 -8.861 -11.023 1.00 0.00 N ATOM 0 H GLN A 56 -2.584 -7.370 -10.747 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.089 -8.614 -12.956 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.372 -8.856 -10.800 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.335 -7.112 -10.626 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.512 -6.927 -12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.653 -8.673 -12.871 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.002 -9.745 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.262 -8.859 -10.453 1.00 0.00 H new ATOM 881 N THR A 57 -3.979 -5.465 -11.956 1.00 0.00 N ATOM 882 CA THR A 57 -3.786 -4.097 -12.395 1.00 0.00 C ATOM 883 C THR A 57 -2.567 -3.493 -11.704 1.00 0.00 C ATOM 884 O THR A 57 -2.317 -3.771 -10.526 1.00 0.00 O ATOM 885 CB THR A 57 -5.026 -3.240 -12.079 1.00 0.00 C ATOM 886 OG1 THR A 57 -6.207 -3.917 -12.524 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.938 -1.881 -12.757 1.00 0.00 C ATOM 0 H THR A 57 -4.217 -5.559 -10.969 1.00 0.00 H new ATOM 0 HA THR A 57 -3.630 -4.107 -13.474 1.00 0.00 H new ATOM 0 HB THR A 57 -5.069 -3.088 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.994 -3.370 -12.320 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.826 -1.297 -12.517 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.051 -1.355 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.874 -2.017 -13.837 1.00 0.00 H new ATOM 895 N SER A 58 -1.805 -2.696 -12.438 1.00 0.00 N ATOM 896 CA SER A 58 -0.659 -2.011 -11.870 1.00 0.00 C ATOM 897 C SER A 58 -1.089 -0.702 -11.218 1.00 0.00 C ATOM 898 O SER A 58 -2.037 -0.049 -11.668 1.00 0.00 O ATOM 899 CB SER A 58 0.402 -1.758 -12.945 1.00 0.00 C ATOM 900 OG SER A 58 -0.161 -1.138 -14.091 1.00 0.00 O ATOM 0 H SER A 58 -1.962 -2.509 -13.428 1.00 0.00 H new ATOM 0 HA SER A 58 -0.221 -2.648 -11.101 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.191 -1.126 -12.538 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.865 -2.702 -13.231 1.00 0.00 H new ATOM 0 HG SER A 58 0.540 -0.987 -14.759 1.00 0.00 H new ATOM 906 N LEU A 59 -0.400 -0.333 -10.153 1.00 0.00 N ATOM 907 CA LEU A 59 -0.712 0.881 -9.422 1.00 0.00 C ATOM 908 C LEU A 59 0.541 1.591 -8.959 1.00 0.00 C ATOM 909 O LEU A 59 1.638 1.036 -8.993 1.00 0.00 O ATOM 910 CB LEU A 59 -1.615 0.582 -8.224 1.00 0.00 C ATOM 911 CG LEU A 59 -3.106 0.557 -8.539 1.00 0.00 C ATOM 912 CD1 LEU A 59 -3.891 -0.015 -7.370 1.00 0.00 C ATOM 913 CD2 LEU A 59 -3.600 1.956 -8.880 1.00 0.00 C ATOM 0 H LEU A 59 0.385 -0.862 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.243 1.541 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.330 -0.383 -7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.433 1.331 -7.454 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.264 -0.087 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.953 -0.024 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.556 -1.033 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.728 0.601 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.666 1.921 -9.102 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.428 2.619 -8.032 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.060 2.331 -9.750 1.00 0.00 H new ATOM 925 N ALA A 60 0.348 2.820 -8.523 1.00 0.00 N ATOM 926 CA ALA A 60 1.435 3.659 -8.051 1.00 0.00 C ATOM 927 C ALA A 60 1.006 4.404 -6.800 1.00 0.00 C ATOM 928 O ALA A 60 -0.186 4.639 -6.597 1.00 0.00 O ATOM 929 CB ALA A 60 1.857 4.647 -9.131 1.00 0.00 C ATOM 0 H ALA A 60 -0.568 3.267 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 60 2.288 3.024 -7.814 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.673 5.267 -8.758 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.190 4.101 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.011 5.281 -9.395 1.00 0.00 H new ATOM 935 N LEU A 61 1.968 4.786 -5.970 1.00 0.00 N ATOM 936 CA LEU A 61 1.667 5.500 -4.744 1.00 0.00 C ATOM 937 C LEU A 61 2.891 6.279 -4.297 1.00 0.00 C ATOM 938 O LEU A 61 3.983 6.100 -4.843 1.00 0.00 O ATOM 939 CB LEU A 61 1.195 4.535 -3.646 1.00 0.00 C ATOM 940 CG LEU A 61 2.196 3.455 -3.236 1.00 0.00 C ATOM 941 CD1 LEU A 61 2.709 3.713 -1.830 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.558 2.076 -3.325 1.00 0.00 C ATOM 0 H LEU A 61 2.961 4.612 -6.126 1.00 0.00 H new ATOM 0 HA LEU A 61 0.853 6.200 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.936 5.118 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.281 4.047 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 61 3.041 3.489 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.421 2.935 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.202 4.685 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.873 3.705 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.285 1.319 -3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.696 2.030 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.236 1.890 -4.350 1.00 0.00 H new ATOM 954 N ARG A 62 2.705 7.163 -3.335 1.00 0.00 N ATOM 955 CA ARG A 62 3.781 8.013 -2.870 1.00 0.00 C ATOM 956 C ARG A 62 4.243 7.573 -1.496 1.00 0.00 C ATOM 957 O ARG A 62 3.613 6.731 -0.853 1.00 0.00 O ATOM 958 CB ARG A 62 3.333 9.480 -2.789 1.00 0.00 C ATOM 959 CG ARG A 62 2.886 10.105 -4.103 1.00 0.00 C ATOM 960 CD ARG A 62 1.629 9.445 -4.648 1.00 0.00 C ATOM 961 NE ARG A 62 0.729 10.376 -5.308 1.00 0.00 N ATOM 962 CZ ARG A 62 -0.534 10.553 -4.929 1.00 0.00 C ATOM 963 NH1 ARG A 62 -1.012 9.893 -3.877 1.00 0.00 N ATOM 964 NH2 ARG A 62 -1.329 11.369 -5.605 1.00 0.00 N ATOM 0 H ARG A 62 1.815 7.310 -2.860 1.00 0.00 H new ATOM 0 HA ARG A 62 4.599 7.926 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.512 9.552 -2.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.156 10.071 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.702 11.169 -3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.688 10.020 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.914 8.664 -5.353 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.099 8.957 -3.830 1.00 0.00 H new ATOM 0 HE ARG A 62 1.081 10.918 -6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.410 9.251 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.980 10.029 -3.587 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.974 11.866 -6.422 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.296 11.500 -5.309 1.00 0.00 H new ATOM 978 N ARG A 63 5.322 8.179 -1.040 1.00 0.00 N ATOM 979 CA ARG A 63 5.816 7.952 0.316 1.00 0.00 C ATOM 980 C ARG A 63 4.744 8.355 1.324 1.00 0.00 C ATOM 981 O ARG A 63 4.604 7.751 2.387 1.00 0.00 O ATOM 982 CB ARG A 63 7.101 8.749 0.570 1.00 0.00 C ATOM 983 CG ARG A 63 6.919 10.261 0.503 1.00 0.00 C ATOM 984 CD ARG A 63 7.663 10.962 1.628 1.00 0.00 C ATOM 985 NE ARG A 63 9.104 10.745 1.558 1.00 0.00 N ATOM 986 CZ ARG A 63 9.837 10.260 2.559 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.259 9.897 3.702 1.00 0.00 N ATOM 988 NH2 ARG A 63 11.148 10.137 2.405 1.00 0.00 N ATOM 0 H ARG A 63 5.879 8.836 -1.586 1.00 0.00 H new ATOM 0 HA ARG A 63 6.045 6.892 0.431 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.492 8.484 1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.851 8.451 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.279 10.630 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.858 10.504 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.456 12.031 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.290 10.602 2.587 1.00 0.00 H new ATOM 0 HE ARG A 63 9.581 10.980 0.687 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.250 9.990 3.815 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.826 9.526 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.586 10.413 1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.718 9.767 3.165 1.00 0.00 H new ATOM 1002 N LYS A 64 3.992 9.387 0.960 1.00 0.00 N ATOM 1003 CA LYS A 64 2.912 9.908 1.786 1.00 0.00 C ATOM 1004 C LYS A 64 1.835 8.847 1.979 1.00 0.00 C ATOM 1005 O LYS A 64 1.303 8.684 3.077 1.00 0.00 O ATOM 1006 CB LYS A 64 2.331 11.165 1.123 1.00 0.00 C ATOM 1007 CG LYS A 64 1.319 11.926 1.965 1.00 0.00 C ATOM 1008 CD LYS A 64 -0.094 11.382 1.808 1.00 0.00 C ATOM 1009 CE LYS A 64 -1.101 12.241 2.553 1.00 0.00 C ATOM 1010 NZ LYS A 64 -1.088 13.650 2.074 1.00 0.00 N ATOM 0 H LYS A 64 4.116 9.887 0.080 1.00 0.00 H new ATOM 0 HA LYS A 64 3.299 10.173 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.151 11.837 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.857 10.877 0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.611 11.874 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.334 12.979 1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.356 11.344 0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.136 10.360 2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.100 11.823 2.426 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.879 12.218 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.972 14.120 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.281 14.152 2.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.002 13.664 1.038 1.00 0.00 H new ATOM 1024 N ASP A 65 1.533 8.120 0.909 1.00 0.00 N ATOM 1025 CA ASP A 65 0.537 7.062 0.957 1.00 0.00 C ATOM 1026 C ASP A 65 1.091 5.867 1.718 1.00 0.00 C ATOM 1027 O ASP A 65 0.380 5.215 2.477 1.00 0.00 O ATOM 1028 CB ASP A 65 0.138 6.634 -0.456 1.00 0.00 C ATOM 1029 CG ASP A 65 -0.357 7.787 -1.302 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -1.481 8.272 -1.066 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.387 8.218 -2.208 1.00 0.00 O ATOM 0 H ASP A 65 1.967 8.247 -0.005 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.347 7.441 1.469 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.995 6.172 -0.946 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.641 5.875 -0.394 1.00 0.00 H new ATOM 1036 N LEU A 66 2.379 5.599 1.517 1.00 0.00 N ATOM 1037 CA LEU A 66 3.065 4.516 2.215 1.00 0.00 C ATOM 1038 C LEU A 66 3.042 4.753 3.721 1.00 0.00 C ATOM 1039 O LEU A 66 3.000 3.817 4.510 1.00 0.00 O ATOM 1040 CB LEU A 66 4.511 4.402 1.726 1.00 0.00 C ATOM 1041 CG LEU A 66 5.313 3.241 2.323 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.702 1.905 1.926 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.766 3.315 1.881 1.00 0.00 C ATOM 0 H LEU A 66 2.972 6.121 0.872 1.00 0.00 H new ATOM 0 HA LEU A 66 2.544 3.583 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.503 4.297 0.641 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.029 5.334 1.952 1.00 0.00 H new ATOM 0 HG LEU A 66 5.278 3.324 3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.287 1.094 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.677 1.850 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.704 1.812 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.321 2.483 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.819 3.259 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.201 4.256 2.218 1.00 0.00 H new ATOM 1055 N ALA A 67 3.057 6.019 4.108 1.00 0.00 N ATOM 1056 CA ALA A 67 3.010 6.394 5.515 1.00 0.00 C ATOM 1057 C ALA A 67 1.625 6.147 6.109 1.00 0.00 C ATOM 1058 O ALA A 67 1.440 6.217 7.323 1.00 0.00 O ATOM 1059 CB ALA A 67 3.409 7.853 5.689 1.00 0.00 C ATOM 0 H ALA A 67 3.102 6.809 3.464 1.00 0.00 H new ATOM 0 HA ALA A 67 3.722 5.768 6.052 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.369 8.118 6.746 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.423 8.000 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.721 8.487 5.130 1.00 0.00 H new ATOM 1065 N LEU A 68 0.656 5.864 5.251 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.705 5.596 5.692 1.00 0.00 C ATOM 1067 C LEU A 68 -1.064 4.127 5.482 1.00 0.00 C ATOM 1068 O LEU A 68 -2.133 3.669 5.896 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.687 6.497 4.938 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.507 7.995 5.178 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.436 8.794 4.282 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.758 8.332 6.638 1.00 0.00 C ATOM 0 H LEU A 68 0.788 5.814 4.241 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.772 5.813 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.589 6.301 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.702 6.219 5.221 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.479 8.262 4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.293 9.859 4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.213 8.574 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.470 8.524 4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.626 9.403 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.776 8.050 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.053 7.785 7.264 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.159 3.392 4.856 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.389 1.989 4.544 1.00 0.00 C ATOM 1086 C LEU A 69 0.708 1.121 5.140 1.00 0.00 C ATOM 1087 O LEU A 69 1.891 1.342 4.890 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.442 1.788 3.029 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.640 2.427 2.326 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -1.494 2.307 0.818 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.933 1.772 2.787 1.00 0.00 C ATOM 0 H LEU A 69 0.748 3.746 4.552 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.344 1.693 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.472 2.192 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.448 0.718 2.821 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.674 3.485 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.354 2.766 0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.583 2.814 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.439 1.254 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.778 2.237 2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.907 0.708 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.042 1.901 3.864 1.00 0.00 H new ATOM 1103 N THR A 70 0.320 0.133 5.923 1.00 0.00 N ATOM 1104 CA THR A 70 1.290 -0.755 6.531 1.00 0.00 C ATOM 1105 C THR A 70 1.529 -1.961 5.633 1.00 0.00 C ATOM 1106 O THR A 70 0.628 -2.772 5.405 1.00 0.00 O ATOM 1107 CB THR A 70 0.821 -1.230 7.910 1.00 0.00 C ATOM 1108 OG1 THR A 70 0.298 -0.120 8.656 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.963 -1.866 8.687 1.00 0.00 C ATOM 0 H THR A 70 -0.652 -0.074 6.151 1.00 0.00 H new ATOM 0 HA THR A 70 2.220 -0.199 6.655 1.00 0.00 H new ATOM 0 HB THR A 70 0.042 -1.978 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.002 -0.430 9.536 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.602 -2.194 9.662 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.346 -2.724 8.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.761 -1.136 8.823 1.00 0.00 H new ATOM 1117 N LEU A 71 2.741 -2.059 5.118 1.00 0.00 N ATOM 1118 CA LEU A 71 3.127 -3.160 4.241 1.00 0.00 C ATOM 1119 C LEU A 71 4.370 -3.852 4.773 1.00 0.00 C ATOM 1120 O LEU A 71 5.270 -3.207 5.315 1.00 0.00 O ATOM 1121 CB LEU A 71 3.394 -2.677 2.807 1.00 0.00 C ATOM 1122 CG LEU A 71 2.159 -2.454 1.926 1.00 0.00 C ATOM 1123 CD1 LEU A 71 1.395 -1.210 2.346 1.00 0.00 C ATOM 1124 CD2 LEU A 71 2.564 -2.367 0.464 1.00 0.00 C ATOM 0 H LEU A 71 3.485 -1.384 5.292 1.00 0.00 H new ATOM 0 HA LEU A 71 2.294 -3.862 4.221 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.951 -1.742 2.859 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.039 -3.405 2.315 1.00 0.00 H new ATOM 0 HG LEU A 71 1.494 -3.308 2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.526 -1.082 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.067 -1.316 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.043 -0.338 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.678 -2.209 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.254 -1.535 0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.051 -3.295 0.166 1.00 0.00 H new ATOM 1136 N VAL A 72 4.410 -5.161 4.608 1.00 0.00 N ATOM 1137 CA VAL A 72 5.549 -5.968 5.026 1.00 0.00 C ATOM 1138 C VAL A 72 5.872 -6.997 3.947 1.00 0.00 C ATOM 1139 O VAL A 72 5.026 -7.299 3.116 1.00 0.00 O ATOM 1140 CB VAL A 72 5.279 -6.702 6.363 1.00 0.00 C ATOM 1141 CG1 VAL A 72 5.234 -5.723 7.528 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.981 -7.495 6.286 1.00 0.00 C ATOM 0 H VAL A 72 3.655 -5.698 4.181 1.00 0.00 H new ATOM 0 HA VAL A 72 6.393 -5.294 5.174 1.00 0.00 H new ATOM 0 HB VAL A 72 6.102 -7.396 6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.043 -6.267 8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.189 -5.203 7.603 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.438 -4.997 7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.809 -8.004 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.152 -6.817 6.082 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.052 -8.233 5.487 1.00 0.00 H new ATOM 1152 N PRO A 73 7.097 -7.538 3.924 1.00 0.00 N ATOM 1153 CA PRO A 73 7.477 -8.575 2.955 1.00 0.00 C ATOM 1154 C PRO A 73 6.627 -9.838 3.102 1.00 0.00 C ATOM 1155 O PRO A 73 5.893 -9.989 4.082 1.00 0.00 O ATOM 1156 CB PRO A 73 8.940 -8.876 3.296 1.00 0.00 C ATOM 1157 CG PRO A 73 9.411 -7.697 4.079 1.00 0.00 C ATOM 1158 CD PRO A 73 8.208 -7.188 4.820 1.00 0.00 C ATOM 0 HA PRO A 73 7.329 -8.243 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.028 -9.794 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.535 -9.012 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.205 -7.979 4.770 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.819 -6.929 3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.104 -7.662 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.265 -6.113 4.992 1.00 0.00 H new ATOM 1166 N LEU A 74 6.713 -10.734 2.120 1.00 0.00 N ATOM 1167 CA LEU A 74 6.010 -12.008 2.186 1.00 0.00 C ATOM 1168 C LEU A 74 6.365 -12.744 3.472 1.00 0.00 C ATOM 1169 O LEU A 74 5.489 -13.096 4.264 1.00 0.00 O ATOM 1170 CB LEU A 74 6.374 -12.875 0.982 1.00 0.00 C ATOM 1171 CG LEU A 74 5.930 -12.345 -0.381 1.00 0.00 C ATOM 1172 CD1 LEU A 74 6.370 -13.300 -1.479 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.422 -12.149 -0.417 1.00 0.00 C ATOM 0 H LEU A 74 7.263 -10.599 1.271 1.00 0.00 H new ATOM 0 HA LEU A 74 4.938 -11.810 2.174 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.456 -13.003 0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.938 -13.864 1.125 1.00 0.00 H new ATOM 0 HG LEU A 74 6.401 -11.376 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.049 -12.914 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.456 -13.393 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.921 -14.279 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.127 -11.771 -1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.927 -13.102 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.130 -11.433 0.351 1.00 0.00 H new ATOM 1185 N ASP A 75 7.657 -12.962 3.666 1.00 0.00 N ATOM 1186 CA ASP A 75 8.171 -13.611 4.864 1.00 0.00 C ATOM 1187 C ASP A 75 9.678 -13.434 4.923 1.00 0.00 C ATOM 1188 O ASP A 75 10.380 -14.060 4.100 1.00 0.00 O ATOM 1189 CB ASP A 75 7.814 -15.101 4.886 1.00 0.00 C ATOM 1190 CG ASP A 75 8.338 -15.800 6.127 1.00 0.00 C ATOM 1191 OD1 ASP A 75 8.259 -15.214 7.227 1.00 0.00 O ATOM 1192 OD2 ASP A 75 8.834 -16.943 6.010 1.00 0.00 O ATOM 1193 OXT ASP A 75 10.153 -12.648 5.766 1.00 0.00 O ATOM 0 H ASP A 75 8.379 -12.694 2.998 1.00 0.00 H new ATOM 0 HA ASP A 75 7.710 -13.146 5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.731 -15.214 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.224 -15.584 3.999 1.00 0.00 H new