USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 16 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 20 ASN : amide:sc= 1.11 K(o=1.1,f=-0.034) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.15 USER MOD Single : A 15 SER OG : rot -52:sc= 1.11 USER MOD Single : A 19 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.005) USER MOD Single : A 21 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 1.23 (180deg=1.21) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0104) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 18:sc= 1.12 USER MOD Single : A 64 SER OG : rot 149:sc= 1.26 USER MOD Single : A 79 TYR OH : rot 134:sc= 1.55 USER MOD Single : A 81 SER OG : rot 60:sc= 1.18 USER MOD Single : A 84 SER OG : rot 74:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.484 11.622 -14.443 1.00 10.00 N ATOM 95 CA LEU A 6 -2.639 11.119 -13.367 1.00 10.00 C ATOM 96 C LEU A 6 -1.440 12.059 -13.208 1.00 10.00 C ATOM 97 O LEU A 6 -0.525 12.101 -14.027 1.00 10.00 O ATOM 98 CB LEU A 6 -2.232 9.658 -13.625 1.00 10.00 C ATOM 99 CG LEU A 6 -3.412 8.662 -13.648 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.871 7.235 -13.776 1.00 10.00 C ATOM 101 CD2 LEU A 6 -4.291 8.738 -12.394 1.00 10.00 C ATOM 0 HA LEU A 6 -3.188 11.108 -12.425 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.707 9.603 -14.579 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.526 9.349 -12.854 1.00 10.00 H new ATOM 0 HG LEU A 6 -4.032 8.933 -14.502 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.703 6.531 -13.792 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.300 7.144 -14.700 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -2.225 7.013 -12.927 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -5.101 8.013 -12.473 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.689 8.514 -11.513 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.709 9.741 -12.303 1.00 10.00 H new ATOM 113 N THR A 7 -1.506 12.840 -12.134 1.00 10.00 N ATOM 114 CA THR A 7 -0.551 13.859 -11.710 1.00 10.00 C ATOM 115 C THR A 7 -0.581 13.918 -10.183 1.00 10.00 C ATOM 116 O THR A 7 -1.300 13.132 -9.564 1.00 10.00 O ATOM 117 CB THR A 7 -0.901 15.217 -12.346 1.00 10.00 C ATOM 118 OG1 THR A 7 0.178 16.106 -12.166 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.164 15.884 -11.789 1.00 10.00 C ATOM 0 H THR A 7 -2.291 12.771 -11.486 1.00 10.00 H new ATOM 0 HA THR A 7 0.457 13.610 -12.041 1.00 10.00 H new ATOM 0 HB THR A 7 -1.097 15.003 -13.397 1.00 10.00 H new ATOM 0 HG1 THR A 7 -0.040 16.971 -12.571 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.328 16.834 -12.298 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.022 15.232 -11.952 1.00 10.00 H new ATOM 0 HG23 THR A 7 -2.041 16.061 -10.721 1.00 10.00 H new ATOM 127 N GLU A 8 0.161 14.852 -9.586 1.00 10.00 N ATOM 128 CA GLU A 8 0.370 15.005 -8.140 1.00 10.00 C ATOM 129 C GLU A 8 -0.892 14.711 -7.316 1.00 10.00 C ATOM 130 O GLU A 8 -0.837 13.877 -6.423 1.00 10.00 O ATOM 131 CB GLU A 8 0.897 16.422 -7.851 1.00 10.00 C ATOM 132 CG GLU A 8 2.264 16.694 -8.501 1.00 10.00 C ATOM 133 CD GLU A 8 2.657 18.170 -8.375 1.00 10.00 C ATOM 134 OE1 GLU A 8 2.058 18.983 -9.116 1.00 10.00 O ATOM 135 OE2 GLU A 8 3.554 18.470 -7.556 1.00 10.00 O ATOM 0 H GLU A 8 0.660 15.561 -10.124 1.00 10.00 H new ATOM 0 HA GLU A 8 1.107 14.264 -7.832 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.175 17.154 -8.214 1.00 10.00 H new ATOM 0 HB3 GLU A 8 0.978 16.562 -6.773 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.024 16.072 -8.029 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.231 16.413 -9.554 1.00 10.00 H new ATOM 142 N GLY A 9 -2.048 15.284 -7.679 1.00 10.00 N ATOM 143 CA GLY A 9 -3.312 15.053 -6.973 1.00 10.00 C ATOM 144 C GLY A 9 -3.764 13.586 -6.943 1.00 10.00 C ATOM 145 O GLY A 9 -3.885 12.992 -5.872 1.00 10.00 O ATOM 0 H GLY A 9 -2.131 15.921 -8.471 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -3.212 15.411 -5.948 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -4.092 15.651 -7.445 1.00 10.00 H new ATOM 149 N ASP A 10 -4.002 12.987 -8.116 1.00 10.00 N ATOM 150 CA ASP A 10 -4.489 11.603 -8.215 1.00 10.00 C ATOM 151 C ASP A 10 -3.408 10.593 -7.799 1.00 10.00 C ATOM 152 O ASP A 10 -3.728 9.560 -7.212 1.00 10.00 O ATOM 153 CB ASP A 10 -5.011 11.305 -9.638 1.00 10.00 C ATOM 154 CG ASP A 10 -6.416 11.871 -9.902 1.00 10.00 C ATOM 155 OD1 ASP A 10 -6.741 12.955 -9.367 1.00 10.00 O ATOM 156 OD2 ASP A 10 -7.221 11.233 -10.618 1.00 10.00 O ATOM 0 H ASP A 10 -3.864 13.443 -9.018 1.00 10.00 H new ATOM 0 HA ASP A 10 -5.321 11.494 -7.519 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -4.316 11.722 -10.367 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.026 10.226 -9.793 1.00 10.00 H new ATOM 161 N LEU A 11 -2.131 10.895 -8.063 1.00 10.00 N ATOM 162 CA LEU A 11 -1.003 10.060 -7.659 1.00 10.00 C ATOM 163 C LEU A 11 -0.789 10.085 -6.136 1.00 10.00 C ATOM 164 O LEU A 11 -0.604 9.017 -5.550 1.00 10.00 O ATOM 165 CB LEU A 11 0.256 10.500 -8.429 1.00 10.00 C ATOM 166 CG LEU A 11 0.189 10.256 -9.955 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.464 10.782 -10.622 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.037 8.777 -10.321 1.00 10.00 C ATOM 0 H LEU A 11 -1.853 11.736 -8.569 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.222 9.023 -7.912 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.424 11.562 -8.250 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.118 9.969 -8.026 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.695 10.785 -10.310 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.411 10.607 -11.697 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.559 11.851 -10.432 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.330 10.262 -10.212 1.00 10.00 H new ATOM 0 HD21 LEU A 11 -0.004 8.673 -11.405 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.889 8.217 -9.935 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.882 8.387 -9.884 1.00 10.00 H new ATOM 180 N ASP A 12 -0.885 11.251 -5.480 1.00 10.00 N ATOM 181 CA ASP A 12 -0.836 11.344 -4.017 1.00 10.00 C ATOM 182 C ASP A 12 -2.024 10.609 -3.385 1.00 10.00 C ATOM 183 O ASP A 12 -1.809 9.814 -2.468 1.00 10.00 O ATOM 184 CB ASP A 12 -0.807 12.806 -3.533 1.00 10.00 C ATOM 185 CG ASP A 12 0.529 13.533 -3.748 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.522 12.867 -4.121 1.00 10.00 O ATOM 187 OD2 ASP A 12 0.553 14.754 -3.473 1.00 10.00 O ATOM 0 H ASP A 12 -0.998 12.150 -5.948 1.00 10.00 H new ATOM 0 HA ASP A 12 0.091 10.867 -3.699 1.00 10.00 H new ATOM 0 HB2 ASP A 12 -1.592 13.359 -4.048 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.048 12.826 -2.470 1.00 10.00 H new ATOM 192 N GLU A 13 -3.245 10.801 -3.907 1.00 10.00 N ATOM 193 CA GLU A 13 -4.445 10.074 -3.466 1.00 10.00 C ATOM 194 C GLU A 13 -4.286 8.552 -3.604 1.00 10.00 C ATOM 195 O GLU A 13 -4.605 7.817 -2.669 1.00 10.00 O ATOM 196 CB GLU A 13 -5.672 10.551 -4.264 1.00 10.00 C ATOM 197 CG GLU A 13 -6.193 11.929 -3.827 1.00 10.00 C ATOM 198 CD GLU A 13 -7.118 11.829 -2.609 1.00 10.00 C ATOM 199 OE1 GLU A 13 -6.608 11.481 -1.520 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.330 12.089 -2.792 1.00 10.00 O ATOM 0 H GLU A 13 -3.429 11.471 -4.654 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.588 10.291 -2.407 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.414 10.588 -5.322 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -6.472 9.819 -4.156 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -5.350 12.578 -3.590 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.730 12.393 -4.654 1.00 10.00 H new ATOM 207 N ILE A 14 -3.732 8.064 -4.723 1.00 10.00 N ATOM 208 CA ILE A 14 -3.416 6.638 -4.887 1.00 10.00 C ATOM 209 C ILE A 14 -2.327 6.203 -3.892 1.00 10.00 C ATOM 210 O ILE A 14 -2.481 5.158 -3.263 1.00 10.00 O ATOM 211 CB ILE A 14 -3.068 6.329 -6.362 1.00 10.00 C ATOM 212 CG1 ILE A 14 -4.377 6.353 -7.192 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.363 4.967 -6.523 1.00 10.00 C ATOM 214 CD1 ILE A 14 -4.180 6.321 -8.714 1.00 10.00 C ATOM 0 H ILE A 14 -3.493 8.639 -5.531 1.00 10.00 H new ATOM 0 HA ILE A 14 -4.296 6.041 -4.648 1.00 10.00 H new ATOM 0 HB ILE A 14 -2.372 7.088 -6.719 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.989 5.499 -6.902 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.938 7.251 -6.932 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -2.139 4.795 -7.576 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.436 4.967 -5.950 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -3.015 4.174 -6.157 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -5.152 6.341 -9.207 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -3.598 7.189 -9.024 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.650 5.410 -8.993 1.00 10.00 H new ATOM 226 N SER A 15 -1.280 7.007 -3.662 1.00 10.00 N ATOM 227 CA SER A 15 -0.271 6.712 -2.634 1.00 10.00 C ATOM 228 C SER A 15 -0.893 6.596 -1.230 1.00 10.00 C ATOM 229 O SER A 15 -0.566 5.676 -0.477 1.00 10.00 O ATOM 230 CB SER A 15 0.850 7.764 -2.673 1.00 10.00 C ATOM 231 OG SER A 15 0.536 8.930 -1.935 1.00 10.00 O ATOM 0 H SER A 15 -1.109 7.871 -4.177 1.00 10.00 H new ATOM 0 HA SER A 15 0.164 5.738 -2.859 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.767 7.326 -2.278 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.048 8.038 -3.709 1.00 10.00 H new ATOM 0 HG SER A 15 -0.339 9.269 -2.216 1.00 10.00 H new ATOM 237 N SER A 16 -1.860 7.470 -0.915 1.00 10.00 N ATOM 238 CA SER A 16 -2.625 7.442 0.328 1.00 10.00 C ATOM 239 C SER A 16 -3.508 6.196 0.403 1.00 10.00 C ATOM 240 O SER A 16 -3.509 5.519 1.433 1.00 10.00 O ATOM 241 CB SER A 16 -3.471 8.716 0.432 1.00 10.00 C ATOM 242 OG SER A 16 -4.166 8.742 1.661 1.00 10.00 O ATOM 0 H SER A 16 -2.134 8.232 -1.536 1.00 10.00 H new ATOM 0 HA SER A 16 -1.932 7.401 1.169 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.830 9.594 0.350 1.00 10.00 H new ATOM 0 HB3 SER A 16 -4.179 8.759 -0.395 1.00 10.00 H new ATOM 0 HG SER A 16 -4.702 9.561 1.717 1.00 10.00 H new ATOM 248 N PHE A 17 -4.196 5.833 -0.688 1.00 10.00 N ATOM 249 CA PHE A 17 -4.982 4.600 -0.766 1.00 10.00 C ATOM 250 C PHE A 17 -4.117 3.350 -0.538 1.00 10.00 C ATOM 251 O PHE A 17 -4.518 2.458 0.212 1.00 10.00 O ATOM 252 CB PHE A 17 -5.706 4.546 -2.120 1.00 10.00 C ATOM 253 CG PHE A 17 -6.450 3.249 -2.373 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.680 3.006 -1.734 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.895 2.268 -3.219 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.352 1.788 -1.938 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.567 1.049 -3.422 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.795 0.809 -2.780 1.00 10.00 C ATOM 0 H PHE A 17 -4.221 6.390 -1.542 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.722 4.607 0.034 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.412 5.374 -2.175 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.977 4.695 -2.916 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -8.108 3.756 -1.086 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.952 2.452 -3.712 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.297 1.604 -1.448 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.140 0.298 -4.070 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.310 -0.128 -2.934 1.00 10.00 H new ATOM 268 N LEU A 18 -2.915 3.297 -1.126 1.00 10.00 N ATOM 269 CA LEU A 18 -1.962 2.203 -0.920 1.00 10.00 C ATOM 270 C LEU A 18 -1.473 2.134 0.531 1.00 10.00 C ATOM 271 O LEU A 18 -1.548 1.070 1.146 1.00 10.00 O ATOM 272 CB LEU A 18 -0.777 2.366 -1.888 1.00 10.00 C ATOM 273 CG LEU A 18 -1.142 2.165 -3.369 1.00 10.00 C ATOM 274 CD1 LEU A 18 0.048 2.545 -4.254 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.559 0.729 -3.670 1.00 10.00 C ATOM 0 H LEU A 18 -2.576 4.018 -1.762 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.473 1.263 -1.126 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.353 3.362 -1.762 1.00 10.00 H new ATOM 0 HB3 LEU A 18 0.001 1.652 -1.617 1.00 10.00 H new ATOM 0 HG LEU A 18 -1.993 2.811 -3.584 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.217 2.400 -5.301 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.307 3.590 -4.086 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.902 1.915 -4.005 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -1.807 0.636 -4.727 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.738 0.054 -3.429 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.430 0.470 -3.069 1.00 10.00 H new ATOM 287 N HIS A 19 -1.027 3.261 1.103 1.00 10.00 N ATOM 288 CA HIS A 19 -0.573 3.311 2.494 1.00 10.00 C ATOM 289 C HIS A 19 -1.690 2.896 3.469 1.00 10.00 C ATOM 290 O HIS A 19 -1.471 2.026 4.316 1.00 10.00 O ATOM 291 CB HIS A 19 -0.028 4.717 2.792 1.00 10.00 C ATOM 292 CG HIS A 19 0.570 4.914 4.168 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.925 6.128 4.713 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.895 3.958 5.096 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.443 5.903 5.934 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.440 4.593 6.214 1.00 10.00 N ATOM 0 H HIS A 19 -0.972 4.156 0.616 1.00 10.00 H new ATOM 0 HA HIS A 19 0.231 2.590 2.639 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.732 4.956 2.049 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.838 5.435 2.662 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.753 2.893 4.981 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.811 6.672 6.597 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.769 4.149 7.071 1.00 10.00 H new ATOM 304 N ASN A 20 -2.902 3.445 3.308 1.00 10.00 N ATOM 305 CA ASN A 20 -4.060 3.045 4.107 1.00 10.00 C ATOM 306 C ASN A 20 -4.426 1.569 3.890 1.00 10.00 C ATOM 307 O ASN A 20 -4.750 0.896 4.860 1.00 10.00 O ATOM 308 CB ASN A 20 -5.254 3.974 3.831 1.00 10.00 C ATOM 309 CG ASN A 20 -5.100 5.329 4.511 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.457 5.512 5.662 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.568 6.320 3.827 1.00 10.00 N ATOM 0 H ASN A 20 -3.103 4.174 2.624 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.790 3.146 5.158 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.358 4.119 2.756 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.171 3.497 4.178 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.456 7.236 4.260 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.268 6.171 2.864 1.00 10.00 H new ATOM 318 N THR A 21 -4.302 1.024 2.672 1.00 10.00 N ATOM 319 CA THR A 21 -4.597 -0.396 2.399 1.00 10.00 C ATOM 320 C THR A 21 -3.687 -1.325 3.213 1.00 10.00 C ATOM 321 O THR A 21 -4.174 -2.268 3.838 1.00 10.00 O ATOM 322 CB THR A 21 -4.481 -0.706 0.893 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.412 0.066 0.171 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.776 -2.170 0.555 1.00 10.00 C ATOM 0 H THR A 21 -3.997 1.548 1.851 1.00 10.00 H new ATOM 0 HA THR A 21 -5.626 -0.580 2.708 1.00 10.00 H new ATOM 0 HB THR A 21 -3.450 -0.476 0.623 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.103 0.995 0.128 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.677 -2.322 -0.520 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.070 -2.814 1.079 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.791 -2.417 0.865 1.00 10.00 H new ATOM 332 N ILE A 22 -2.379 -1.035 3.265 1.00 10.00 N ATOM 333 CA ILE A 22 -1.430 -1.797 4.094 1.00 10.00 C ATOM 334 C ILE A 22 -1.698 -1.563 5.583 1.00 10.00 C ATOM 335 O ILE A 22 -1.724 -2.524 6.354 1.00 10.00 O ATOM 336 CB ILE A 22 0.027 -1.433 3.735 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.272 -1.735 2.249 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.061 -2.196 4.589 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.701 -1.470 1.798 1.00 10.00 C ATOM 0 H ILE A 22 -1.951 -0.273 2.739 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.575 -2.857 3.887 1.00 10.00 H new ATOM 0 HB ILE A 22 0.158 -0.371 3.943 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.027 -2.779 2.054 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.407 -1.131 1.648 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.067 -1.900 4.293 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.909 -1.960 5.642 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.939 -3.268 4.437 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.798 -1.706 0.738 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.945 -0.420 1.960 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.386 -2.094 2.373 1.00 10.00 H new ATOM 351 N SER A 23 -1.926 -0.305 5.985 1.00 10.00 N ATOM 352 CA SER A 23 -2.225 0.039 7.376 1.00 10.00 C ATOM 353 C SER A 23 -3.458 -0.719 7.882 1.00 10.00 C ATOM 354 O SER A 23 -3.358 -1.425 8.881 1.00 10.00 O ATOM 355 CB SER A 23 -2.404 1.552 7.522 1.00 10.00 C ATOM 356 OG SER A 23 -2.403 1.907 8.890 1.00 10.00 O ATOM 0 H SER A 23 -1.908 0.497 5.356 1.00 10.00 H new ATOM 0 HA SER A 23 -1.381 -0.266 7.994 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.601 2.074 7.001 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.340 1.863 7.057 1.00 10.00 H new ATOM 0 HG SER A 23 -2.516 2.877 8.976 1.00 10.00 H new ATOM 362 N ASP A 24 -4.578 -0.683 7.149 1.00 10.00 N ATOM 363 CA ASP A 24 -5.774 -1.472 7.444 1.00 10.00 C ATOM 364 C ASP A 24 -5.539 -2.984 7.478 1.00 10.00 C ATOM 365 O ASP A 24 -6.101 -3.640 8.355 1.00 10.00 O ATOM 366 CB ASP A 24 -6.887 -1.162 6.430 1.00 10.00 C ATOM 367 CG ASP A 24 -7.661 0.123 6.733 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.041 1.181 6.959 1.00 10.00 O ATOM 369 OD2 ASP A 24 -8.907 -0.013 6.800 1.00 10.00 O ATOM 0 H ASP A 24 -4.677 -0.095 6.322 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.070 -1.176 8.450 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.448 -1.084 5.436 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.586 -1.998 6.405 1.00 10.00 H new ATOM 374 N PHE A 25 -4.709 -3.544 6.587 1.00 10.00 N ATOM 375 CA PHE A 25 -4.410 -4.979 6.611 1.00 10.00 C ATOM 376 C PHE A 25 -3.671 -5.355 7.903 1.00 10.00 C ATOM 377 O PHE A 25 -4.062 -6.300 8.594 1.00 10.00 O ATOM 378 CB PHE A 25 -3.584 -5.337 5.363 1.00 10.00 C ATOM 379 CG PHE A 25 -3.383 -6.822 5.098 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.502 -7.587 5.892 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.029 -7.432 4.004 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.277 -8.944 5.599 1.00 10.00 C ATOM 383 CE2 PHE A 25 -3.819 -8.794 3.724 1.00 10.00 C ATOM 384 CZ PHE A 25 -2.944 -9.549 4.521 1.00 10.00 C ATOM 0 H PHE A 25 -4.236 -3.027 5.846 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.338 -5.550 6.595 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.069 -4.895 4.492 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.604 -4.869 5.454 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.998 -7.128 6.729 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -4.689 -6.850 3.377 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.592 -9.521 6.203 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -4.331 -9.260 2.895 1.00 10.00 H new ATOM 0 HZ PHE A 25 -2.784 -10.595 4.305 1.00 10.00 H new ATOM 394 N ILE A 26 -2.658 -4.565 8.287 1.00 10.00 N ATOM 395 CA ILE A 26 -1.888 -4.786 9.499 1.00 10.00 C ATOM 396 C ILE A 26 -2.792 -4.575 10.722 1.00 10.00 C ATOM 397 O ILE A 26 -2.945 -5.504 11.509 1.00 10.00 O ATOM 398 CB ILE A 26 -0.644 -3.870 9.455 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.327 -4.365 8.352 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.063 -3.834 10.812 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.570 -3.489 8.156 1.00 10.00 C ATOM 0 H ILE A 26 -2.355 -3.750 7.754 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.524 -5.810 9.576 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.967 -2.855 9.222 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.647 -5.378 8.596 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.215 -4.421 7.408 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.934 -3.182 10.751 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.623 -3.454 11.569 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.381 -4.841 11.083 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.191 -3.911 7.366 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.264 -2.480 7.878 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.139 -3.452 9.085 1.00 10.00 H new ATOM 413 N LEU A 27 -3.480 -3.430 10.831 1.00 10.00 N ATOM 414 CA LEU A 27 -4.331 -3.078 11.979 1.00 10.00 C ATOM 415 C LEU A 27 -5.546 -4.003 12.172 1.00 10.00 C ATOM 416 O LEU A 27 -6.125 -4.004 13.258 1.00 10.00 O ATOM 417 CB LEU A 27 -4.785 -1.605 11.865 1.00 10.00 C ATOM 418 CG LEU A 27 -3.855 -0.547 12.497 1.00 10.00 C ATOM 419 CD1 LEU A 27 -3.886 -0.631 14.026 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.392 -0.615 12.045 1.00 10.00 C ATOM 0 H LEU A 27 -3.461 -2.708 10.111 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.715 -3.216 12.868 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -4.905 -1.366 10.808 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.768 -1.514 12.326 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.256 0.402 12.141 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -3.222 0.125 14.445 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -4.902 -0.458 14.379 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -3.555 -1.620 14.343 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -1.820 0.168 12.544 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -1.976 -1.589 12.303 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.338 -0.472 10.966 1.00 10.00 H new ATOM 432 N LYS A 28 -5.922 -4.800 11.160 1.00 10.00 N ATOM 433 CA LYS A 28 -6.983 -5.816 11.261 1.00 10.00 C ATOM 434 C LYS A 28 -6.457 -7.259 11.231 1.00 10.00 C ATOM 435 O LYS A 28 -7.269 -8.182 11.262 1.00 10.00 O ATOM 436 CB LYS A 28 -8.092 -5.529 10.231 1.00 10.00 C ATOM 437 CG LYS A 28 -8.936 -4.325 10.688 1.00 10.00 C ATOM 438 CD LYS A 28 -9.907 -3.801 9.622 1.00 10.00 C ATOM 439 CE LYS A 28 -9.183 -2.857 8.657 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.132 -2.158 7.759 1.00 10.00 N ATOM 0 H LYS A 28 -5.492 -4.757 10.236 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.432 -5.734 12.251 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.650 -5.325 9.256 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.728 -6.407 10.115 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.504 -4.608 11.574 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.267 -3.517 10.983 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -10.336 -4.637 9.070 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.734 -3.277 10.101 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.612 -2.123 9.226 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.468 -3.424 8.061 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -9.662 -1.336 7.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -10.444 -2.808 7.010 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -10.957 -1.839 8.306 1.00 10.00 H new ATOM 454 N ARG A 29 -5.129 -7.467 11.265 1.00 10.00 N ATOM 455 CA ARG A 29 -4.514 -8.795 11.458 1.00 10.00 C ATOM 456 C ARG A 29 -3.533 -8.886 12.643 1.00 10.00 C ATOM 457 O ARG A 29 -3.334 -9.982 13.156 1.00 10.00 O ATOM 458 CB ARG A 29 -3.898 -9.236 10.124 1.00 10.00 C ATOM 459 CG ARG A 29 -3.622 -10.745 10.053 1.00 10.00 C ATOM 460 CD ARG A 29 -3.195 -11.093 8.627 1.00 10.00 C ATOM 461 NE ARG A 29 -2.446 -12.357 8.556 1.00 10.00 N ATOM 462 CZ ARG A 29 -2.033 -12.927 7.438 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.516 -12.601 6.266 1.00 10.00 N ATOM 464 NH2 ARG A 29 -1.085 -13.816 7.516 1.00 10.00 N ATOM 0 H ARG A 29 -4.447 -6.716 11.159 1.00 10.00 H new ATOM 0 HA ARG A 29 -5.298 -9.493 11.750 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -4.570 -8.958 9.312 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.965 -8.695 9.966 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -2.840 -11.021 10.761 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -4.514 -11.307 10.329 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -4.079 -11.162 7.993 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -2.579 -10.287 8.229 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.230 -12.828 9.434 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -3.237 -11.884 6.193 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -2.171 -13.064 5.425 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.683 -14.055 8.423 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.744 -14.274 6.671 1.00 10.00 H new ATOM 478 N VAL A 30 -2.988 -7.765 13.132 1.00 10.00 N ATOM 479 CA VAL A 30 -2.174 -7.661 14.356 1.00 10.00 C ATOM 480 C VAL A 30 -2.502 -6.355 15.102 1.00 10.00 C ATOM 481 O VAL A 30 -2.729 -5.311 14.491 1.00 10.00 O ATOM 482 CB VAL A 30 -0.676 -7.802 14.006 1.00 10.00 C ATOM 483 CG1 VAL A 30 -0.180 -6.801 12.953 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.235 -7.719 15.232 1.00 10.00 C ATOM 0 H VAL A 30 -3.106 -6.865 12.667 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.417 -8.477 15.037 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.612 -8.802 13.577 1.00 10.00 H new ATOM 0 HG11 VAL A 30 0.881 -6.967 12.764 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.739 -6.939 12.028 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.329 -5.785 13.318 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.274 -7.825 14.921 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.099 -6.755 15.722 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -0.018 -8.518 15.928 1.00 10.00 H new ATOM 494 N SER A 31 -2.567 -6.407 16.437 1.00 10.00 N ATOM 495 CA SER A 31 -2.956 -5.273 17.279 1.00 10.00 C ATOM 496 C SER A 31 -1.833 -4.249 17.418 1.00 10.00 C ATOM 497 O SER A 31 -0.696 -4.599 17.716 1.00 10.00 O ATOM 498 CB SER A 31 -3.356 -5.760 18.673 1.00 10.00 C ATOM 499 OG SER A 31 -3.735 -4.670 19.499 1.00 10.00 O ATOM 0 H SER A 31 -2.348 -7.249 16.969 1.00 10.00 H new ATOM 0 HA SER A 31 -3.802 -4.791 16.790 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.183 -6.466 18.593 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.523 -6.295 19.129 1.00 10.00 H new ATOM 0 HG SER A 31 -3.989 -5.004 20.385 1.00 10.00 H new ATOM 505 N ALA A 32 -2.166 -2.960 17.318 1.00 10.00 N ATOM 506 CA ALA A 32 -1.275 -1.849 17.640 1.00 10.00 C ATOM 507 C ALA A 32 -0.613 -1.971 19.028 1.00 10.00 C ATOM 508 O ALA A 32 0.467 -1.429 19.223 1.00 10.00 O ATOM 509 CB ALA A 32 -2.064 -0.540 17.527 1.00 10.00 C ATOM 0 H ALA A 32 -3.087 -2.655 17.003 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.453 -1.866 16.925 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.411 0.300 17.765 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.442 -0.429 16.511 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.901 -0.558 18.225 1.00 10.00 H new ATOM 515 N LYS A 33 -1.214 -2.698 19.986 1.00 10.00 N ATOM 516 CA LYS A 33 -0.591 -2.988 21.292 1.00 10.00 C ATOM 517 C LYS A 33 0.553 -4.018 21.231 1.00 10.00 C ATOM 518 O LYS A 33 1.281 -4.158 22.207 1.00 10.00 O ATOM 519 CB LYS A 33 -1.664 -3.413 22.307 1.00 10.00 C ATOM 520 CG LYS A 33 -2.597 -2.238 22.642 1.00 10.00 C ATOM 521 CD LYS A 33 -3.632 -2.624 23.708 1.00 10.00 C ATOM 522 CE LYS A 33 -4.455 -1.412 24.165 1.00 10.00 C ATOM 523 NZ LYS A 33 -5.264 -0.834 23.064 1.00 10.00 N ATOM 0 H LYS A 33 -2.145 -3.101 19.878 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.123 -2.060 21.620 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.246 -4.241 21.902 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.186 -3.775 23.218 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -2.006 -1.393 22.997 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.110 -1.911 21.738 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -4.299 -3.387 23.308 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -3.124 -3.063 24.566 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -5.115 -1.710 24.980 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -3.785 -0.649 24.560 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -5.853 -0.062 23.435 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -4.632 -0.463 22.326 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -5.875 -1.571 22.658 1.00 10.00 H new ATOM 537 N GLU A 34 0.728 -4.710 20.103 1.00 10.00 N ATOM 538 CA GLU A 34 1.846 -5.623 19.820 1.00 10.00 C ATOM 539 C GLU A 34 2.958 -4.930 19.002 1.00 10.00 C ATOM 540 O GLU A 34 4.074 -5.455 18.908 1.00 10.00 O ATOM 541 CB GLU A 34 1.321 -6.817 18.997 1.00 10.00 C ATOM 542 CG GLU A 34 0.170 -7.596 19.652 1.00 10.00 C ATOM 543 CD GLU A 34 -0.442 -8.590 18.658 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.220 -9.614 18.389 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.552 -8.301 18.147 1.00 10.00 O ATOM 0 H GLU A 34 0.069 -4.649 19.327 1.00 10.00 H new ATOM 0 HA GLU A 34 2.263 -5.946 20.774 1.00 10.00 H new ATOM 0 HB2 GLU A 34 0.987 -6.452 18.026 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.147 -7.504 18.812 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.537 -8.129 20.529 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.596 -6.902 19.999 1.00 10.00 H new ATOM 552 N ILE A 35 2.630 -3.770 18.411 1.00 10.00 N ATOM 553 CA ILE A 35 3.393 -3.019 17.408 1.00 10.00 C ATOM 554 C ILE A 35 4.111 -1.830 18.062 1.00 10.00 C ATOM 555 O ILE A 35 3.491 -1.027 18.755 1.00 10.00 O ATOM 556 CB ILE A 35 2.409 -2.514 16.319 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.657 -3.657 15.593 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.059 -1.575 15.288 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.441 -4.338 14.472 1.00 10.00 C ATOM 0 H ILE A 35 1.756 -3.298 18.642 1.00 10.00 H new ATOM 0 HA ILE A 35 4.147 -3.665 16.959 1.00 10.00 H new ATOM 0 HB ILE A 35 1.677 -1.933 16.880 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.376 -4.411 16.328 1.00 10.00 H new ATOM 0 HG13 ILE A 35 0.732 -3.256 15.177 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.312 -1.262 14.559 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.459 -0.698 15.796 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.867 -2.099 14.778 1.00 10.00 H new ATOM 0 HD11 ILE A 35 1.830 -5.123 14.026 1.00 10.00 H new ATOM 0 HD12 ILE A 35 2.700 -3.603 13.710 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.353 -4.775 14.879 1.00 10.00 H new ATOM 571 N VAL A 36 5.421 -1.707 17.831 1.00 10.00 N ATOM 572 CA VAL A 36 6.185 -0.497 18.165 1.00 10.00 C ATOM 573 C VAL A 36 5.907 0.579 17.110 1.00 10.00 C ATOM 574 O VAL A 36 5.525 1.686 17.479 1.00 10.00 O ATOM 575 CB VAL A 36 7.691 -0.821 18.280 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.589 0.420 18.221 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.954 -1.546 19.603 1.00 10.00 C ATOM 0 H VAL A 36 5.985 -2.444 17.407 1.00 10.00 H new ATOM 0 HA VAL A 36 5.869 -0.115 19.136 1.00 10.00 H new ATOM 0 HB VAL A 36 7.939 -1.445 17.422 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.633 0.118 18.308 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.437 0.934 17.272 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.336 1.091 19.042 1.00 10.00 H new ATOM 0 HG21 VAL A 36 9.016 -1.776 19.687 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.654 -0.907 20.434 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.379 -2.472 19.631 1.00 10.00 H new ATOM 587 N ASP A 37 6.047 0.250 15.815 1.00 10.00 N ATOM 588 CA ASP A 37 5.642 1.124 14.703 1.00 10.00 C ATOM 589 C ASP A 37 5.555 0.379 13.349 1.00 10.00 C ATOM 590 O ASP A 37 5.896 -0.802 13.240 1.00 10.00 O ATOM 591 CB ASP A 37 6.596 2.340 14.594 1.00 10.00 C ATOM 592 CG ASP A 37 5.843 3.634 14.248 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.815 3.529 13.539 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.287 4.707 14.715 1.00 10.00 O ATOM 0 H ASP A 37 6.447 -0.637 15.509 1.00 10.00 H new ATOM 0 HA ASP A 37 4.635 1.474 14.931 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.126 2.470 15.537 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.348 2.143 13.830 1.00 10.00 H new ATOM 599 N ILE A 38 5.132 1.095 12.301 1.00 10.00 N ATOM 600 CA ILE A 38 5.176 0.659 10.899 1.00 10.00 C ATOM 601 C ILE A 38 5.712 1.785 10.010 1.00 10.00 C ATOM 602 O ILE A 38 5.357 2.950 10.177 1.00 10.00 O ATOM 603 CB ILE A 38 3.799 0.173 10.377 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.633 1.139 10.701 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.515 -1.248 10.882 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.295 0.752 10.054 1.00 10.00 C ATOM 0 H ILE A 38 4.735 2.028 12.409 1.00 10.00 H new ATOM 0 HA ILE A 38 5.851 -0.195 10.855 1.00 10.00 H new ATOM 0 HB ILE A 38 3.861 0.159 9.289 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.502 1.182 11.782 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.905 2.142 10.373 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.546 -1.580 10.510 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.292 -1.924 10.524 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.506 -1.252 11.972 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.533 1.480 10.332 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.406 0.738 8.970 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.996 -0.237 10.401 1.00 10.00 H new ATOM 618 N ASP A 39 6.517 1.417 9.012 1.00 10.00 N ATOM 619 CA ASP A 39 7.187 2.360 8.113 1.00 10.00 C ATOM 620 C ASP A 39 6.894 1.967 6.667 1.00 10.00 C ATOM 621 O ASP A 39 7.386 0.954 6.177 1.00 10.00 O ATOM 622 CB ASP A 39 8.696 2.391 8.399 1.00 10.00 C ATOM 623 CG ASP A 39 9.031 3.260 9.610 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.106 4.493 9.408 1.00 10.00 O ATOM 625 OD2 ASP A 39 9.238 2.687 10.703 1.00 10.00 O ATOM 0 H ASP A 39 6.725 0.441 8.802 1.00 10.00 H new ATOM 0 HA ASP A 39 6.806 3.367 8.281 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.053 1.376 8.571 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.223 2.770 7.524 1.00 10.00 H new ATOM 630 N ILE A 40 6.063 2.753 5.977 1.00 10.00 N ATOM 631 CA ILE A 40 5.553 2.416 4.644 1.00 10.00 C ATOM 632 C ILE A 40 5.944 3.522 3.669 1.00 10.00 C ATOM 633 O ILE A 40 5.638 4.695 3.869 1.00 10.00 O ATOM 634 CB ILE A 40 4.034 2.139 4.702 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.790 0.797 5.429 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.417 2.061 3.290 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.388 0.626 6.005 1.00 10.00 C ATOM 0 H ILE A 40 5.723 3.647 6.330 1.00 10.00 H new ATOM 0 HA ILE A 40 6.004 1.493 4.278 1.00 10.00 H new ATOM 0 HB ILE A 40 3.561 2.962 5.238 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.983 -0.018 4.731 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.514 0.702 6.238 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.348 1.865 3.370 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.575 3.007 2.771 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.892 1.256 2.729 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.312 -0.345 6.495 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.194 1.416 6.731 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.655 0.685 5.201 1.00 10.00 H new ATOM 649 N THR A 41 6.629 3.114 2.600 1.00 10.00 N ATOM 650 CA THR A 41 7.123 3.975 1.529 1.00 10.00 C ATOM 651 C THR A 41 6.485 3.521 0.222 1.00 10.00 C ATOM 652 O THR A 41 6.682 2.394 -0.233 1.00 10.00 O ATOM 653 CB THR A 41 8.655 3.915 1.455 1.00 10.00 C ATOM 654 OG1 THR A 41 9.196 4.370 2.673 1.00 10.00 O ATOM 655 CG2 THR A 41 9.230 4.805 0.352 1.00 10.00 C ATOM 0 H THR A 41 6.864 2.132 2.452 1.00 10.00 H new ATOM 0 HA THR A 41 6.853 5.013 1.722 1.00 10.00 H new ATOM 0 HB THR A 41 8.916 2.878 1.244 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.174 4.332 2.631 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.317 4.722 0.347 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.837 4.487 -0.614 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.946 5.841 0.536 1.00 10.00 H new ATOM 663 N VAL A 42 5.714 4.432 -0.370 1.00 10.00 N ATOM 664 CA VAL A 42 4.991 4.274 -1.624 1.00 10.00 C ATOM 665 C VAL A 42 5.580 5.261 -2.626 1.00 10.00 C ATOM 666 O VAL A 42 5.578 6.468 -2.391 1.00 10.00 O ATOM 667 CB VAL A 42 3.479 4.512 -1.407 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.807 3.238 -0.885 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.133 5.655 -0.434 1.00 10.00 C ATOM 0 H VAL A 42 5.571 5.355 0.041 1.00 10.00 H new ATOM 0 HA VAL A 42 5.097 3.259 -2.008 1.00 10.00 H new ATOM 0 HB VAL A 42 3.107 4.800 -2.390 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.743 3.422 -0.737 1.00 10.00 H new ATOM 0 HG12 VAL A 42 2.939 2.434 -1.609 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.260 2.950 0.064 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.050 5.744 -0.348 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.559 5.440 0.546 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.545 6.591 -0.811 1.00 10.00 H new ATOM 679 N LEU A 43 6.107 4.739 -3.733 1.00 10.00 N ATOM 680 CA LEU A 43 6.721 5.518 -4.800 1.00 10.00 C ATOM 681 C LEU A 43 5.920 5.306 -6.079 1.00 10.00 C ATOM 682 O LEU A 43 5.516 4.186 -6.394 1.00 10.00 O ATOM 683 CB LEU A 43 8.188 5.092 -4.985 1.00 10.00 C ATOM 684 CG LEU A 43 9.072 5.306 -3.743 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.461 4.708 -3.983 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.232 6.785 -3.375 1.00 10.00 C ATOM 0 H LEU A 43 6.117 3.735 -3.914 1.00 10.00 H new ATOM 0 HA LEU A 43 6.714 6.578 -4.547 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.216 4.037 -5.259 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.613 5.649 -5.820 1.00 10.00 H new ATOM 0 HG LEU A 43 8.571 4.807 -2.914 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.081 4.863 -3.100 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.368 3.640 -4.178 1.00 10.00 H new ATOM 0 HD13 LEU A 43 10.923 5.195 -4.841 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.865 6.874 -2.492 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.692 7.319 -4.206 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.253 7.215 -3.164 1.00 10.00 H new ATOM 698 N VAL A 44 5.683 6.396 -6.807 1.00 10.00 N ATOM 699 CA VAL A 44 5.003 6.369 -8.101 1.00 10.00 C ATOM 700 C VAL A 44 5.680 7.343 -9.070 1.00 10.00 C ATOM 701 O VAL A 44 6.010 8.467 -8.696 1.00 10.00 O ATOM 702 CB VAL A 44 3.487 6.589 -7.917 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.111 7.996 -7.440 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.722 6.250 -9.199 1.00 10.00 C ATOM 0 H VAL A 44 5.960 7.332 -6.512 1.00 10.00 H new ATOM 0 HA VAL A 44 5.096 5.385 -8.560 1.00 10.00 H new ATOM 0 HB VAL A 44 3.194 5.905 -7.120 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.028 8.068 -7.336 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.582 8.192 -6.477 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.455 8.731 -8.168 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.656 6.414 -9.041 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.071 6.889 -10.011 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.894 5.206 -9.460 1.00 10.00 H new ATOM 714 N GLU A 45 5.922 6.895 -10.303 1.00 10.00 N ATOM 715 CA GLU A 45 6.710 7.607 -11.313 1.00 10.00 C ATOM 716 C GLU A 45 6.257 7.195 -12.726 1.00 10.00 C ATOM 717 O GLU A 45 5.624 6.153 -12.912 1.00 10.00 O ATOM 718 CB GLU A 45 8.207 7.316 -11.070 1.00 10.00 C ATOM 719 CG GLU A 45 9.164 8.175 -11.908 1.00 10.00 C ATOM 720 CD GLU A 45 10.620 7.919 -11.506 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.157 6.875 -11.937 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.174 8.767 -10.771 1.00 10.00 O ATOM 0 H GLU A 45 5.565 6.000 -10.637 1.00 10.00 H new ATOM 0 HA GLU A 45 6.553 8.683 -11.232 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.428 7.472 -10.014 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.400 6.265 -11.284 1.00 10.00 H new ATOM 0 HG2 GLU A 45 9.029 7.950 -12.966 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.925 9.230 -11.773 1.00 10.00 H new ATOM 729 N TYR A 46 6.561 8.017 -13.737 1.00 10.00 N ATOM 730 CA TYR A 46 6.195 7.743 -15.125 1.00 10.00 C ATOM 731 C TYR A 46 7.319 8.209 -16.058 1.00 10.00 C ATOM 732 O TYR A 46 7.519 9.407 -16.258 1.00 10.00 O ATOM 733 CB TYR A 46 4.849 8.419 -15.430 1.00 10.00 C ATOM 734 CG TYR A 46 4.134 7.833 -16.631 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.607 8.061 -17.939 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.992 7.036 -16.424 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.947 7.473 -19.035 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.319 6.460 -17.515 1.00 10.00 C ATOM 739 CZ TYR A 46 2.804 6.672 -18.826 1.00 10.00 C ATOM 740 OH TYR A 46 2.168 6.114 -19.891 1.00 10.00 O ATOM 0 H TYR A 46 7.069 8.892 -13.612 1.00 10.00 H new ATOM 0 HA TYR A 46 6.071 6.673 -15.289 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.203 8.334 -14.556 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.016 9.482 -15.601 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.474 8.685 -18.100 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.631 6.866 -15.420 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.316 7.635 -20.037 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.436 5.859 -17.353 1.00 10.00 H new ATOM 0 HH TYR A 46 1.401 5.591 -19.577 1.00 10.00 H new ATOM 750 N THR A 47 8.139 7.283 -16.559 1.00 10.00 N ATOM 751 CA THR A 47 9.146 7.561 -17.601 1.00 10.00 C ATOM 752 C THR A 47 9.049 6.514 -18.704 1.00 10.00 C ATOM 753 O THR A 47 9.544 5.406 -18.521 1.00 10.00 O ATOM 754 CB THR A 47 10.544 7.700 -16.986 1.00 10.00 C ATOM 755 OG1 THR A 47 10.523 8.859 -16.181 1.00 10.00 O ATOM 756 CG2 THR A 47 11.652 7.901 -18.022 1.00 10.00 C ATOM 0 H THR A 47 8.128 6.310 -16.255 1.00 10.00 H new ATOM 0 HA THR A 47 8.943 8.523 -18.071 1.00 10.00 H new ATOM 0 HB THR A 47 10.760 6.779 -16.444 1.00 10.00 H new ATOM 0 HG1 THR A 47 11.402 8.985 -15.766 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.612 7.991 -17.515 1.00 10.00 H new ATOM 0 HG22 THR A 47 11.678 7.046 -18.698 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.456 8.809 -18.593 1.00 10.00 H new ATOM 764 N ASP A 48 8.349 6.840 -19.800 1.00 10.00 N ATOM 765 CA ASP A 48 7.930 5.952 -20.907 1.00 10.00 C ATOM 766 C ASP A 48 7.060 4.738 -20.507 1.00 10.00 C ATOM 767 O ASP A 48 6.239 4.282 -21.300 1.00 10.00 O ATOM 768 CB ASP A 48 9.137 5.563 -21.775 1.00 10.00 C ATOM 769 CG ASP A 48 9.850 6.794 -22.345 1.00 10.00 C ATOM 770 OD1 ASP A 48 9.138 7.663 -22.899 1.00 10.00 O ATOM 771 OD2 ASP A 48 11.092 6.859 -22.217 1.00 10.00 O ATOM 0 H ASP A 48 8.036 7.799 -19.952 1.00 10.00 H new ATOM 0 HA ASP A 48 7.242 6.547 -21.508 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.839 4.980 -21.180 1.00 10.00 H new ATOM 0 HB3 ASP A 48 8.805 4.924 -22.593 1.00 10.00 H new ATOM 776 N GLU A 49 7.159 4.281 -19.258 1.00 10.00 N ATOM 777 CA GLU A 49 6.294 3.313 -18.598 1.00 10.00 C ATOM 778 C GLU A 49 5.908 3.820 -17.198 1.00 10.00 C ATOM 779 O GLU A 49 6.572 4.686 -16.617 1.00 10.00 O ATOM 780 CB GLU A 49 6.960 1.922 -18.551 1.00 10.00 C ATOM 781 CG GLU A 49 8.276 1.863 -17.755 1.00 10.00 C ATOM 782 CD GLU A 49 8.821 0.431 -17.670 1.00 10.00 C ATOM 783 OE1 GLU A 49 9.083 -0.167 -18.736 1.00 10.00 O ATOM 784 OE2 GLU A 49 8.963 -0.069 -16.528 1.00 10.00 O ATOM 0 H GLU A 49 7.902 4.604 -18.639 1.00 10.00 H new ATOM 0 HA GLU A 49 5.376 3.203 -19.176 1.00 10.00 H new ATOM 0 HB2 GLU A 49 6.256 1.212 -18.116 1.00 10.00 H new ATOM 0 HB3 GLU A 49 7.154 1.593 -19.572 1.00 10.00 H new ATOM 0 HG2 GLU A 49 9.017 2.507 -18.228 1.00 10.00 H new ATOM 0 HG3 GLU A 49 8.111 2.251 -16.750 1.00 10.00 H new ATOM 791 N LEU A 50 4.816 3.267 -16.660 1.00 10.00 N ATOM 792 CA LEU A 50 4.284 3.593 -15.338 1.00 10.00 C ATOM 793 C LEU A 50 5.012 2.734 -14.295 1.00 10.00 C ATOM 794 O LEU A 50 5.064 1.508 -14.417 1.00 10.00 O ATOM 795 CB LEU A 50 2.764 3.315 -15.368 1.00 10.00 C ATOM 796 CG LEU A 50 1.916 3.898 -14.216 1.00 10.00 C ATOM 797 CD1 LEU A 50 0.432 3.726 -14.566 1.00 10.00 C ATOM 798 CD2 LEU A 50 2.149 3.235 -12.855 1.00 10.00 C ATOM 0 H LEU A 50 4.264 2.561 -17.148 1.00 10.00 H new ATOM 0 HA LEU A 50 4.442 4.638 -15.073 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.369 3.701 -16.307 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.618 2.235 -15.381 1.00 10.00 H new ATOM 0 HG LEU A 50 2.217 4.941 -14.119 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -0.181 4.133 -13.762 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.213 4.256 -15.493 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.208 2.667 -14.692 1.00 10.00 H new ATOM 0 HD21 LEU A 50 1.513 3.707 -12.107 1.00 10.00 H new ATOM 0 HD22 LEU A 50 1.906 2.174 -12.921 1.00 10.00 H new ATOM 0 HD23 LEU A 50 3.194 3.351 -12.568 1.00 10.00 H new ATOM 810 N LYS A 51 5.543 3.377 -13.252 1.00 10.00 N ATOM 811 CA LYS A 51 6.193 2.723 -12.116 1.00 10.00 C ATOM 812 C LYS A 51 5.402 3.037 -10.852 1.00 10.00 C ATOM 813 O LYS A 51 5.120 4.198 -10.565 1.00 10.00 O ATOM 814 CB LYS A 51 7.649 3.211 -11.987 1.00 10.00 C ATOM 815 CG LYS A 51 8.550 3.009 -13.222 1.00 10.00 C ATOM 816 CD LYS A 51 9.145 1.602 -13.391 1.00 10.00 C ATOM 817 CE LYS A 51 8.089 0.495 -13.434 1.00 10.00 C ATOM 818 NZ LYS A 51 8.634 -0.752 -14.005 1.00 10.00 N ATOM 0 H LYS A 51 5.532 4.394 -13.173 1.00 10.00 H new ATOM 0 HA LYS A 51 6.214 1.644 -12.268 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.633 4.274 -11.745 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.108 2.699 -11.141 1.00 10.00 H new ATOM 0 HG2 LYS A 51 7.971 3.248 -14.114 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.369 3.726 -13.172 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.730 1.571 -14.310 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.833 1.406 -12.569 1.00 10.00 H new ATOM 0 HE2 LYS A 51 7.720 0.304 -12.426 1.00 10.00 H new ATOM 0 HE3 LYS A 51 7.237 0.826 -14.028 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 8.077 -1.562 -13.665 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 8.585 -0.709 -15.043 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 9.625 -0.865 -13.710 1.00 10.00 H new ATOM 832 N VAL A 52 5.023 1.990 -10.123 1.00 10.00 N ATOM 833 CA VAL A 52 4.447 2.071 -8.782 1.00 10.00 C ATOM 834 C VAL A 52 5.126 0.990 -7.954 1.00 10.00 C ATOM 835 O VAL A 52 5.105 -0.188 -8.313 1.00 10.00 O ATOM 836 CB VAL A 52 2.909 1.974 -8.799 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.364 0.723 -9.500 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.325 2.057 -7.379 1.00 10.00 C ATOM 0 H VAL A 52 5.111 1.031 -10.460 1.00 10.00 H new ATOM 0 HA VAL A 52 4.632 3.045 -8.330 1.00 10.00 H new ATOM 0 HB VAL A 52 2.586 2.833 -9.386 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.275 0.733 -9.467 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.696 0.714 -10.538 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.734 -0.168 -8.993 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.238 1.985 -7.428 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.716 1.237 -6.776 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.606 3.007 -6.925 1.00 10.00 H new ATOM 848 N ASP A 53 5.735 1.406 -6.849 1.00 10.00 N ATOM 849 CA ASP A 53 6.645 0.583 -6.070 1.00 10.00 C ATOM 850 C ASP A 53 6.382 0.829 -4.586 1.00 10.00 C ATOM 851 O ASP A 53 6.243 1.969 -4.137 1.00 10.00 O ATOM 852 CB ASP A 53 8.088 0.934 -6.462 1.00 10.00 C ATOM 853 CG ASP A 53 8.412 0.535 -7.911 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.149 1.351 -8.826 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.928 -0.591 -8.088 1.00 10.00 O ATOM 0 H ASP A 53 5.606 2.342 -6.465 1.00 10.00 H new ATOM 0 HA ASP A 53 6.489 -0.477 -6.270 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.245 2.006 -6.339 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.779 0.430 -5.786 1.00 10.00 H new ATOM 860 N ILE A 54 6.273 -0.263 -3.829 1.00 10.00 N ATOM 861 CA ILE A 54 5.798 -0.247 -2.451 1.00 10.00 C ATOM 862 C ILE A 54 6.750 -1.061 -1.575 1.00 10.00 C ATOM 863 O ILE A 54 6.983 -2.247 -1.834 1.00 10.00 O ATOM 864 CB ILE A 54 4.363 -0.813 -2.369 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.388 -0.230 -3.421 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.810 -0.583 -0.959 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.972 -0.816 -3.342 1.00 10.00 C ATOM 0 H ILE A 54 6.516 -1.195 -4.163 1.00 10.00 H new ATOM 0 HA ILE A 54 5.776 0.781 -2.090 1.00 10.00 H new ATOM 0 HB ILE A 54 4.437 -1.877 -2.593 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.332 0.851 -3.292 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.792 -0.411 -4.417 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.797 -0.981 -0.896 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.445 -1.090 -0.232 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.794 0.486 -0.744 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.346 -0.360 -4.109 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.015 -1.893 -3.502 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.548 -0.612 -2.359 1.00 10.00 H new ATOM 879 N SER A 55 7.213 -0.427 -0.497 1.00 10.00 N ATOM 880 CA SER A 55 8.038 -1.031 0.547 1.00 10.00 C ATOM 881 C SER A 55 7.385 -0.758 1.899 1.00 10.00 C ATOM 882 O SER A 55 7.031 0.383 2.193 1.00 10.00 O ATOM 883 CB SER A 55 9.445 -0.424 0.525 1.00 10.00 C ATOM 884 OG SER A 55 10.124 -0.783 -0.661 1.00 10.00 O ATOM 0 H SER A 55 7.016 0.558 -0.322 1.00 10.00 H new ATOM 0 HA SER A 55 8.119 -2.105 0.376 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.380 0.662 0.598 1.00 10.00 H new ATOM 0 HB3 SER A 55 10.009 -0.769 1.392 1.00 10.00 H new ATOM 0 HG SER A 55 11.020 -0.385 -0.658 1.00 10.00 H new ATOM 890 N ALA A 56 7.234 -1.794 2.725 1.00 10.00 N ATOM 891 CA ALA A 56 6.673 -1.678 4.066 1.00 10.00 C ATOM 892 C ALA A 56 7.572 -2.393 5.077 1.00 10.00 C ATOM 893 O ALA A 56 8.049 -3.498 4.820 1.00 10.00 O ATOM 894 CB ALA A 56 5.247 -2.240 4.066 1.00 10.00 C ATOM 0 H ALA A 56 7.502 -2.746 2.476 1.00 10.00 H new ATOM 0 HA ALA A 56 6.625 -0.630 4.363 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.823 -2.156 5.066 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.634 -1.676 3.363 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.269 -3.288 3.768 1.00 10.00 H new ATOM 900 N GLU A 57 7.759 -1.759 6.231 1.00 10.00 N ATOM 901 CA GLU A 57 8.533 -2.249 7.363 1.00 10.00 C ATOM 902 C GLU A 57 7.646 -2.335 8.602 1.00 10.00 C ATOM 903 O GLU A 57 6.734 -1.523 8.801 1.00 10.00 O ATOM 904 CB GLU A 57 9.736 -1.326 7.636 1.00 10.00 C ATOM 905 CG GLU A 57 11.082 -1.985 7.325 1.00 10.00 C ATOM 906 CD GLU A 57 11.487 -3.069 8.330 1.00 10.00 C ATOM 907 OE1 GLU A 57 10.624 -3.906 8.686 1.00 10.00 O ATOM 908 OE2 GLU A 57 12.666 -3.003 8.765 1.00 10.00 O ATOM 0 H GLU A 57 7.352 -0.841 6.409 1.00 10.00 H new ATOM 0 HA GLU A 57 8.909 -3.244 7.123 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.635 -0.421 7.037 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.721 -1.020 8.682 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.039 -2.424 6.328 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.855 -1.217 7.302 1.00 10.00 H new ATOM 915 N LEU A 58 7.927 -3.352 9.414 1.00 10.00 N ATOM 916 CA LEU A 58 7.099 -3.767 10.538 1.00 10.00 C ATOM 917 C LEU A 58 7.948 -3.865 11.801 1.00 10.00 C ATOM 918 O LEU A 58 8.727 -4.806 11.952 1.00 10.00 O ATOM 919 CB LEU A 58 6.416 -5.096 10.172 1.00 10.00 C ATOM 920 CG LEU A 58 5.583 -5.714 11.307 1.00 10.00 C ATOM 921 CD1 LEU A 58 4.424 -4.814 11.740 1.00 10.00 C ATOM 922 CD2 LEU A 58 5.010 -7.052 10.843 1.00 10.00 C ATOM 0 H LEU A 58 8.763 -3.926 9.302 1.00 10.00 H new ATOM 0 HA LEU A 58 6.321 -3.032 10.745 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.769 -4.933 9.310 1.00 10.00 H new ATOM 0 HB3 LEU A 58 7.180 -5.811 9.867 1.00 10.00 H new ATOM 0 HG LEU A 58 6.248 -5.843 12.161 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.868 -5.298 12.543 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.816 -3.860 12.093 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.761 -4.642 10.892 1.00 10.00 H new ATOM 0 HD21 LEU A 58 4.419 -7.493 11.646 1.00 10.00 H new ATOM 0 HD22 LEU A 58 4.376 -6.893 9.971 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.826 -7.726 10.581 1.00 10.00 H new ATOM 934 N TYR A 59 7.748 -2.937 12.739 1.00 10.00 N ATOM 935 CA TYR A 59 8.470 -2.952 14.001 1.00 10.00 C ATOM 936 C TYR A 59 7.507 -3.364 15.111 1.00 10.00 C ATOM 937 O TYR A 59 6.666 -2.598 15.573 1.00 10.00 O ATOM 938 CB TYR A 59 9.206 -1.614 14.184 1.00 10.00 C ATOM 939 CG TYR A 59 10.229 -1.344 13.081 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.132 -2.359 12.696 1.00 10.00 C ATOM 941 CD2 TYR A 59 10.247 -0.114 12.385 1.00 10.00 C ATOM 942 CE1 TYR A 59 12.014 -2.164 11.624 1.00 10.00 C ATOM 943 CE2 TYR A 59 11.164 0.101 11.338 1.00 10.00 C ATOM 944 CZ TYR A 59 12.036 -0.933 10.942 1.00 10.00 C ATOM 945 OH TYR A 59 12.834 -0.799 9.852 1.00 10.00 O ATOM 0 H TYR A 59 7.088 -2.165 12.642 1.00 10.00 H new ATOM 0 HA TYR A 59 9.264 -3.699 14.027 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.477 -0.804 14.203 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.711 -1.612 15.150 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.143 -3.296 13.233 1.00 10.00 H new ATOM 0 HD2 TYR A 59 9.552 0.667 12.658 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.678 -2.960 11.321 1.00 10.00 H new ATOM 0 HE2 TYR A 59 11.199 1.058 10.839 1.00 10.00 H new ATOM 0 HH TYR A 59 13.084 -1.686 9.519 1.00 10.00 H new ATOM 955 N LEU A 60 7.645 -4.628 15.510 1.00 10.00 N ATOM 956 CA LEU A 60 6.941 -5.284 16.606 1.00 10.00 C ATOM 957 C LEU A 60 7.701 -5.094 17.920 1.00 10.00 C ATOM 958 O LEU A 60 8.921 -4.927 17.916 1.00 10.00 O ATOM 959 CB LEU A 60 6.809 -6.783 16.275 1.00 10.00 C ATOM 960 CG LEU A 60 5.670 -7.077 15.282 1.00 10.00 C ATOM 961 CD1 LEU A 60 5.834 -8.468 14.667 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.307 -7.022 15.977 1.00 10.00 C ATOM 0 H LEU A 60 8.295 -5.261 15.044 1.00 10.00 H new ATOM 0 HA LEU A 60 5.952 -4.842 16.725 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.750 -7.143 15.858 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.635 -7.340 17.196 1.00 10.00 H new ATOM 0 HG LEU A 60 5.718 -6.315 14.504 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.019 -8.655 13.968 1.00 10.00 H new ATOM 0 HD12 LEU A 60 6.785 -8.522 14.137 1.00 10.00 H new ATOM 0 HD13 LEU A 60 5.815 -9.219 15.456 1.00 10.00 H new ATOM 0 HD21 LEU A 60 3.520 -7.233 15.253 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.275 -7.764 16.774 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.154 -6.029 16.399 1.00 10.00 H new ATOM 974 N ASP A 61 6.975 -5.104 19.040 1.00 10.00 N ATOM 975 CA ASP A 61 7.622 -5.168 20.356 1.00 10.00 C ATOM 976 C ASP A 61 8.466 -6.449 20.507 1.00 10.00 C ATOM 977 O ASP A 61 8.108 -7.499 19.969 1.00 10.00 O ATOM 978 CB ASP A 61 6.599 -5.017 21.494 1.00 10.00 C ATOM 979 CG ASP A 61 7.275 -4.895 22.868 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.425 -4.396 22.905 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.644 -5.319 23.860 1.00 10.00 O ATOM 0 H ASP A 61 5.956 -5.069 19.066 1.00 10.00 H new ATOM 0 HA ASP A 61 8.307 -4.323 20.428 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.985 -4.135 21.313 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.929 -5.877 21.495 1.00 10.00 H new ATOM 986 N GLU A 62 9.572 -6.354 21.261 1.00 10.00 N ATOM 987 CA GLU A 62 10.578 -7.400 21.561 1.00 10.00 C ATOM 988 C GLU A 62 10.021 -8.537 22.457 1.00 10.00 C ATOM 989 O GLU A 62 10.668 -9.029 23.381 1.00 10.00 O ATOM 990 CB GLU A 62 11.816 -6.723 22.192 1.00 10.00 C ATOM 991 CG GLU A 62 12.625 -5.853 21.214 1.00 10.00 C ATOM 992 CD GLU A 62 13.597 -6.685 20.364 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.114 -7.574 19.627 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.818 -6.431 20.470 1.00 10.00 O ATOM 0 H GLU A 62 9.811 -5.473 21.717 1.00 10.00 H new ATOM 0 HA GLU A 62 10.860 -7.889 20.629 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.491 -6.104 23.028 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.469 -7.494 22.601 1.00 10.00 H new ATOM 0 HG2 GLU A 62 11.941 -5.315 20.558 1.00 10.00 H new ATOM 0 HG3 GLU A 62 13.185 -5.104 21.774 1.00 10.00 H new ATOM 1001 N LEU A 63 8.768 -8.908 22.195 1.00 10.00 N ATOM 1002 CA LEU A 63 7.898 -9.784 22.973 1.00 10.00 C ATOM 1003 C LEU A 63 6.732 -10.345 22.128 1.00 10.00 C ATOM 1004 O LEU A 63 6.244 -11.431 22.433 1.00 10.00 O ATOM 1005 CB LEU A 63 7.366 -8.947 24.156 1.00 10.00 C ATOM 1006 CG LEU A 63 6.466 -9.686 25.162 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.169 -10.886 25.806 1.00 10.00 C ATOM 1008 CD2 LEU A 63 6.051 -8.715 26.271 1.00 10.00 C ATOM 0 H LEU A 63 8.295 -8.571 21.356 1.00 10.00 H new ATOM 0 HA LEU A 63 8.458 -10.652 23.322 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.219 -8.537 24.697 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.808 -8.102 23.754 1.00 10.00 H new ATOM 0 HG LEU A 63 5.601 -10.057 24.612 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.490 -11.372 26.507 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.460 -11.596 25.032 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.057 -10.545 26.338 1.00 10.00 H new ATOM 0 HD21 LEU A 63 5.413 -9.232 26.988 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.940 -8.342 26.780 1.00 10.00 H new ATOM 0 HD23 LEU A 63 5.504 -7.878 25.836 1.00 10.00 H new ATOM 1020 N SER A 64 6.285 -9.627 21.086 1.00 10.00 N ATOM 1021 CA SER A 64 5.171 -10.008 20.209 1.00 10.00 C ATOM 1022 C SER A 64 5.536 -11.136 19.232 1.00 10.00 C ATOM 1023 O SER A 64 6.684 -11.247 18.802 1.00 10.00 O ATOM 1024 CB SER A 64 4.759 -8.783 19.382 1.00 10.00 C ATOM 1025 OG SER A 64 4.443 -7.681 20.211 1.00 10.00 O ATOM 0 H SER A 64 6.705 -8.735 20.823 1.00 10.00 H new ATOM 0 HA SER A 64 4.365 -10.367 20.849 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.569 -8.510 18.705 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.897 -9.033 18.763 1.00 10.00 H new ATOM 0 HG SER A 64 4.660 -6.847 19.744 1.00 10.00 H new ATOM 1031 N ASP A 65 4.538 -11.912 18.791 1.00 10.00 N ATOM 1032 CA ASP A 65 4.693 -13.020 17.853 1.00 10.00 C ATOM 1033 C ASP A 65 3.510 -13.057 16.868 1.00 10.00 C ATOM 1034 O ASP A 65 2.463 -13.656 17.101 1.00 10.00 O ATOM 1035 CB ASP A 65 4.897 -14.345 18.621 1.00 10.00 C ATOM 1036 CG ASP A 65 3.762 -14.778 19.570 1.00 10.00 C ATOM 1037 OD1 ASP A 65 3.206 -13.912 20.286 1.00 10.00 O ATOM 1038 OD2 ASP A 65 3.518 -16.005 19.623 1.00 10.00 O ATOM 0 H ASP A 65 3.572 -11.778 19.089 1.00 10.00 H new ATOM 0 HA ASP A 65 5.589 -12.872 17.250 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.053 -15.140 17.892 1.00 10.00 H new ATOM 0 HB3 ASP A 65 5.815 -14.263 19.204 1.00 10.00 H new ATOM 1043 N ALA A 66 3.736 -12.419 15.720 1.00 10.00 N ATOM 1044 CA ALA A 66 2.827 -12.347 14.574 1.00 10.00 C ATOM 1045 C ALA A 66 3.154 -13.413 13.500 1.00 10.00 C ATOM 1046 O ALA A 66 3.973 -14.305 13.730 1.00 10.00 O ATOM 1047 CB ALA A 66 2.902 -10.916 14.021 1.00 10.00 C ATOM 0 H ALA A 66 4.605 -11.911 15.555 1.00 10.00 H new ATOM 0 HA ALA A 66 1.808 -12.571 14.888 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.236 -10.822 13.163 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.599 -10.211 14.795 1.00 10.00 H new ATOM 0 HB3 ALA A 66 3.924 -10.698 13.712 1.00 10.00 H new ATOM 1053 N ASP A 67 2.567 -13.308 12.297 1.00 10.00 N ATOM 1054 CA ASP A 67 2.752 -14.330 11.258 1.00 10.00 C ATOM 1055 C ASP A 67 4.039 -14.043 10.455 1.00 10.00 C ATOM 1056 O ASP A 67 4.318 -12.874 10.160 1.00 10.00 O ATOM 1057 CB ASP A 67 1.594 -14.339 10.238 1.00 10.00 C ATOM 1058 CG ASP A 67 0.178 -14.365 10.811 1.00 10.00 C ATOM 1059 OD1 ASP A 67 -0.042 -15.043 11.833 1.00 10.00 O ATOM 1060 OD2 ASP A 67 -0.686 -13.732 10.154 1.00 10.00 O ATOM 0 H ASP A 67 1.965 -12.532 12.022 1.00 10.00 H new ATOM 0 HA ASP A 67 2.799 -15.288 11.776 1.00 10.00 H new ATOM 0 HB2 ASP A 67 1.690 -13.456 9.606 1.00 10.00 H new ATOM 0 HB3 ASP A 67 1.716 -15.208 9.592 1.00 10.00 H new ATOM 1065 N PRO A 68 4.786 -15.081 10.012 1.00 10.00 N ATOM 1066 CA PRO A 68 6.040 -14.969 9.247 1.00 10.00 C ATOM 1067 C PRO A 68 5.834 -14.514 7.781 1.00 10.00 C ATOM 1068 O PRO A 68 6.439 -15.045 6.852 1.00 10.00 O ATOM 1069 CB PRO A 68 6.705 -16.347 9.386 1.00 10.00 C ATOM 1070 CG PRO A 68 5.512 -17.293 9.460 1.00 10.00 C ATOM 1071 CD PRO A 68 4.505 -16.488 10.280 1.00 10.00 C ATOM 0 HA PRO A 68 6.681 -14.179 9.639 1.00 10.00 H new ATOM 0 HB2 PRO A 68 7.348 -16.573 8.536 1.00 10.00 H new ATOM 0 HB3 PRO A 68 7.326 -16.408 10.280 1.00 10.00 H new ATOM 0 HG2 PRO A 68 5.126 -17.539 8.471 1.00 10.00 H new ATOM 0 HG3 PRO A 68 5.770 -18.235 9.944 1.00 10.00 H new ATOM 0 HD2 PRO A 68 3.483 -16.741 9.997 1.00 10.00 H new ATOM 0 HD3 PRO A 68 4.605 -16.708 11.343 1.00 10.00 H new ATOM 1079 N GLY A 69 4.951 -13.534 7.589 1.00 10.00 N ATOM 1080 CA GLY A 69 4.620 -12.890 6.317 1.00 10.00 C ATOM 1081 C GLY A 69 3.521 -11.818 6.419 1.00 10.00 C ATOM 1082 O GLY A 69 2.985 -11.403 5.394 1.00 10.00 O ATOM 0 H GLY A 69 4.415 -13.145 8.364 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.521 -12.432 5.909 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.302 -13.654 5.608 1.00 10.00 H new ATOM 1086 N ILE A 70 3.149 -11.376 7.635 1.00 10.00 N ATOM 1087 CA ILE A 70 1.965 -10.540 7.878 1.00 10.00 C ATOM 1088 C ILE A 70 1.985 -9.191 7.143 1.00 10.00 C ATOM 1089 O ILE A 70 0.935 -8.708 6.720 1.00 10.00 O ATOM 1090 CB ILE A 70 1.777 -10.381 9.405 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.308 -10.095 9.758 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.710 -9.328 10.027 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.050 -10.300 11.252 1.00 10.00 C ATOM 0 H ILE A 70 3.670 -11.594 8.484 1.00 10.00 H new ATOM 0 HA ILE A 70 1.101 -11.051 7.452 1.00 10.00 H new ATOM 0 HB ILE A 70 2.060 -11.337 9.845 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.057 -9.072 9.480 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.342 -10.752 9.180 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.526 -9.267 11.100 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.748 -9.613 9.852 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.518 -8.357 9.570 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.997 -10.091 11.473 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.279 -11.331 11.523 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.684 -9.625 11.827 1.00 10.00 H new ATOM 1105 N VAL A 71 3.173 -8.595 6.975 1.00 10.00 N ATOM 1106 CA VAL A 71 3.380 -7.373 6.194 1.00 10.00 C ATOM 1107 C VAL A 71 3.594 -7.669 4.715 1.00 10.00 C ATOM 1108 O VAL A 71 3.033 -6.962 3.889 1.00 10.00 O ATOM 1109 CB VAL A 71 4.501 -6.507 6.793 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.845 -7.232 6.967 1.00 10.00 C ATOM 1111 CG2 VAL A 71 4.733 -5.218 5.995 1.00 10.00 C ATOM 0 H VAL A 71 4.033 -8.958 7.387 1.00 10.00 H new ATOM 0 HA VAL A 71 2.463 -6.787 6.255 1.00 10.00 H new ATOM 0 HB VAL A 71 4.130 -6.264 7.789 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.576 -6.546 7.395 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.715 -8.085 7.633 1.00 10.00 H new ATOM 0 HG13 VAL A 71 6.199 -7.580 5.997 1.00 10.00 H new ATOM 0 HG21 VAL A 71 5.534 -4.642 6.459 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.012 -5.469 4.972 1.00 10.00 H new ATOM 0 HG23 VAL A 71 3.818 -4.626 5.987 1.00 10.00 H new ATOM 1121 N ASP A 72 4.321 -8.730 4.361 1.00 10.00 N ATOM 1122 CA ASP A 72 4.533 -9.174 2.982 1.00 10.00 C ATOM 1123 C ASP A 72 3.192 -9.402 2.269 1.00 10.00 C ATOM 1124 O ASP A 72 2.967 -8.879 1.174 1.00 10.00 O ATOM 1125 CB ASP A 72 5.381 -10.460 2.997 1.00 10.00 C ATOM 1126 CG ASP A 72 6.610 -10.353 3.909 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.396 -10.298 5.146 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.732 -10.315 3.362 1.00 10.00 O ATOM 0 H ASP A 72 4.792 -9.321 5.046 1.00 10.00 H new ATOM 0 HA ASP A 72 5.065 -8.401 2.428 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.762 -11.294 3.327 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.707 -10.687 1.982 1.00 10.00 H new ATOM 1133 N GLU A 73 2.266 -10.092 2.949 1.00 10.00 N ATOM 1134 CA GLU A 73 0.881 -10.251 2.513 1.00 10.00 C ATOM 1135 C GLU A 73 0.122 -8.916 2.466 1.00 10.00 C ATOM 1136 O GLU A 73 -0.708 -8.741 1.576 1.00 10.00 O ATOM 1137 CB GLU A 73 0.142 -11.228 3.438 1.00 10.00 C ATOM 1138 CG GLU A 73 0.609 -12.687 3.320 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.204 -13.566 4.276 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.439 -13.660 4.087 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.348 -14.065 5.283 1.00 10.00 O ATOM 0 H GLU A 73 2.467 -10.562 3.832 1.00 10.00 H new ATOM 0 HA GLU A 73 0.913 -10.649 1.499 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.270 -10.900 4.470 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -0.925 -11.181 3.219 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.486 -13.037 2.295 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.670 -12.760 3.557 1.00 10.00 H new ATOM 1148 N ALA A 74 0.409 -7.951 3.356 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.191 -6.619 3.266 1.00 10.00 C ATOM 1150 C ALA A 74 0.274 -5.870 2.008 1.00 10.00 C ATOM 1151 O ALA A 74 -0.546 -5.250 1.327 1.00 10.00 O ATOM 1152 CB ALA A 74 0.135 -5.805 4.524 1.00 10.00 C ATOM 0 H ALA A 74 1.050 -8.072 4.140 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.271 -6.746 3.193 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.317 -4.816 4.445 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.262 -6.316 5.401 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.216 -5.703 4.622 1.00 10.00 H new ATOM 1158 N VAL A 75 1.572 -5.940 1.670 1.00 10.00 N ATOM 1159 CA VAL A 75 2.103 -5.280 0.473 1.00 10.00 C ATOM 1160 C VAL A 75 1.568 -5.953 -0.795 1.00 10.00 C ATOM 1161 O VAL A 75 1.089 -5.260 -1.685 1.00 10.00 O ATOM 1162 CB VAL A 75 3.644 -5.211 0.436 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.045 -3.997 -0.406 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.326 -5.021 1.796 1.00 10.00 C ATOM 0 H VAL A 75 2.271 -6.448 2.212 1.00 10.00 H new ATOM 0 HA VAL A 75 1.752 -4.249 0.516 1.00 10.00 H new ATOM 0 HB VAL A 75 3.966 -6.173 0.038 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.132 -3.926 -0.448 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.650 -4.108 -1.416 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.639 -3.091 0.045 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.407 -4.985 1.659 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.986 -4.088 2.246 1.00 10.00 H new ATOM 0 HG23 VAL A 75 4.070 -5.854 2.451 1.00 10.00 H new ATOM 1174 N ASP A 76 1.540 -7.290 -0.849 1.00 10.00 N ATOM 1175 CA ASP A 76 0.912 -8.070 -1.925 1.00 10.00 C ATOM 1176 C ASP A 76 -0.587 -7.743 -2.060 1.00 10.00 C ATOM 1177 O ASP A 76 -1.073 -7.534 -3.175 1.00 10.00 O ATOM 1178 CB ASP A 76 1.143 -9.563 -1.621 1.00 10.00 C ATOM 1179 CG ASP A 76 0.135 -10.486 -2.305 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.094 -10.535 -3.552 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.689 -11.089 -1.584 1.00 10.00 O ATOM 0 H ASP A 76 1.963 -7.875 -0.129 1.00 10.00 H new ATOM 0 HA ASP A 76 1.363 -7.813 -2.883 1.00 10.00 H new ATOM 0 HB2 ASP A 76 2.149 -9.839 -1.937 1.00 10.00 H new ATOM 0 HB3 ASP A 76 1.093 -9.718 -0.543 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.308 -7.600 -0.943 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.699 -7.159 -0.960 1.00 10.00 C ATOM 1188 C ALA A 77 -2.835 -5.736 -1.522 1.00 10.00 C ATOM 1189 O ALA A 77 -3.752 -5.493 -2.309 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.302 -7.275 0.443 1.00 10.00 C ATOM 0 H ALA A 77 -0.943 -7.786 -0.009 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.260 -7.812 -1.629 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.340 -6.944 0.421 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.259 -8.313 0.773 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.736 -6.651 1.135 1.00 10.00 H new ATOM 1196 N ALA A 78 -1.919 -4.812 -1.193 1.00 10.00 N ATOM 1197 CA ALA A 78 -1.862 -3.492 -1.822 1.00 10.00 C ATOM 1198 C ALA A 78 -1.537 -3.572 -3.325 1.00 10.00 C ATOM 1199 O ALA A 78 -2.222 -2.924 -4.115 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.875 -2.593 -1.066 1.00 10.00 C ATOM 0 H ALA A 78 -1.201 -4.962 -0.485 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.854 -3.044 -1.757 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.839 -1.613 -1.541 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.201 -2.483 -0.032 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.117 -3.043 -1.088 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.567 -4.398 -3.745 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.212 -4.554 -5.161 1.00 10.00 C ATOM 1208 C TYR A 79 -1.360 -5.148 -5.992 1.00 10.00 C ATOM 1209 O TYR A 79 -1.683 -4.611 -7.053 1.00 10.00 O ATOM 1210 CB TYR A 79 1.017 -5.478 -5.286 1.00 10.00 C ATOM 1211 CG TYR A 79 2.365 -4.849 -4.978 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.859 -3.842 -5.832 1.00 10.00 C ATOM 1213 CD2 TYR A 79 3.160 -5.315 -3.906 1.00 10.00 C ATOM 1214 CE1 TYR A 79 4.130 -3.282 -5.614 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.437 -4.754 -3.687 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.920 -3.729 -4.533 1.00 10.00 C ATOM 1217 OH TYR A 79 6.125 -3.135 -4.307 1.00 10.00 O ATOM 0 H TYR A 79 -0.009 -4.974 -3.114 1.00 10.00 H new ATOM 0 HA TYR A 79 0.006 -3.559 -5.549 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.875 -6.328 -4.619 1.00 10.00 H new ATOM 0 HB3 TYR A 79 1.047 -5.872 -6.302 1.00 10.00 H new ATOM 0 HD1 TYR A 79 2.257 -3.498 -6.660 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.792 -6.096 -3.258 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.501 -2.511 -6.273 1.00 10.00 H new ATOM 0 HE2 TYR A 79 5.047 -5.109 -2.870 1.00 10.00 H new ATOM 0 HH TYR A 79 6.217 -2.936 -3.352 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.050 -6.181 -5.485 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.224 -6.766 -6.152 1.00 10.00 C ATOM 1229 C ARG A 80 -4.455 -5.859 -6.079 1.00 10.00 C ATOM 1230 O ARG A 80 -5.266 -5.846 -7.010 1.00 10.00 O ATOM 1231 CB ARG A 80 -3.497 -8.175 -5.612 1.00 10.00 C ATOM 1232 CG ARG A 80 -2.393 -9.141 -6.081 1.00 10.00 C ATOM 1233 CD ARG A 80 -2.651 -10.593 -5.668 1.00 10.00 C ATOM 1234 NE ARG A 80 -2.551 -10.771 -4.210 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.539 -10.864 -3.329 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -4.802 -10.801 -3.688 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.280 -11.022 -2.058 1.00 10.00 N ATOM 0 H ARG A 80 -1.811 -6.634 -4.603 1.00 10.00 H new ATOM 0 HA ARG A 80 -2.995 -6.855 -7.214 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -3.536 -8.155 -4.523 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -4.469 -8.525 -5.959 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.309 -9.088 -7.166 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -1.437 -8.817 -5.671 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.642 -10.896 -6.004 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -1.933 -11.246 -6.164 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.606 -10.830 -3.830 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.047 -10.677 -4.670 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.537 -10.876 -2.984 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.313 -11.075 -1.737 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.045 -11.093 -1.387 1.00 10.00 H new ATOM 1251 N SER A 81 -4.579 -5.055 -5.016 1.00 10.00 N ATOM 1252 CA SER A 81 -5.586 -3.991 -4.944 1.00 10.00 C ATOM 1253 C SER A 81 -5.321 -2.927 -6.007 1.00 10.00 C ATOM 1254 O SER A 81 -6.257 -2.528 -6.684 1.00 10.00 O ATOM 1255 CB SER A 81 -5.638 -3.325 -3.564 1.00 10.00 C ATOM 1256 OG SER A 81 -5.935 -4.278 -2.568 1.00 10.00 O ATOM 0 H SER A 81 -3.988 -5.123 -4.187 1.00 10.00 H new ATOM 0 HA SER A 81 -6.551 -4.465 -5.125 1.00 10.00 H new ATOM 0 HB2 SER A 81 -4.682 -2.849 -3.347 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.393 -2.539 -3.561 1.00 10.00 H new ATOM 0 HG SER A 81 -5.244 -4.973 -2.563 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.063 -2.509 -6.205 1.00 10.00 N ATOM 1263 CA LEU A 82 -3.671 -1.540 -7.232 1.00 10.00 C ATOM 1264 C LEU A 82 -3.916 -2.074 -8.651 1.00 10.00 C ATOM 1265 O LEU A 82 -4.499 -1.381 -9.486 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.190 -1.173 -7.003 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.653 0.095 -7.699 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -1.238 -0.177 -9.145 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -2.624 1.281 -7.657 1.00 10.00 C ATOM 0 H LEU A 82 -3.278 -2.842 -5.645 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.289 -0.646 -7.145 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.034 -1.059 -5.930 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.581 -2.017 -7.326 1.00 10.00 H new ATOM 0 HG LEU A 82 -0.773 0.375 -7.120 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -0.866 0.743 -9.596 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -0.453 -0.933 -9.162 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.099 -0.536 -9.709 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -2.177 2.135 -8.166 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -3.554 1.008 -8.155 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -2.832 1.544 -6.620 1.00 10.00 H new ATOM 1281 N GLU A 83 -3.522 -3.326 -8.901 1.00 10.00 N ATOM 1282 CA GLU A 83 -3.770 -4.025 -10.165 1.00 10.00 C ATOM 1283 C GLU A 83 -5.277 -4.113 -10.463 1.00 10.00 C ATOM 1284 O GLU A 83 -5.708 -3.812 -11.577 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.135 -5.417 -10.015 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.316 -6.367 -11.203 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.622 -7.708 -10.920 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.961 -8.331 -9.886 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.750 -8.090 -11.732 1.00 10.00 O ATOM 0 H GLU A 83 -3.014 -3.891 -8.220 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.333 -3.490 -11.008 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.067 -5.290 -9.835 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -3.553 -5.892 -9.128 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -4.378 -6.531 -11.389 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.900 -5.917 -12.105 1.00 10.00 H new ATOM 1296 N SER A 84 -6.085 -4.394 -9.432 1.00 10.00 N ATOM 1297 CA SER A 84 -7.549 -4.394 -9.516 1.00 10.00 C ATOM 1298 C SER A 84 -8.121 -2.980 -9.690 1.00 10.00 C ATOM 1299 O SER A 84 -9.118 -2.790 -10.382 1.00 10.00 O ATOM 1300 CB SER A 84 -8.156 -5.021 -8.252 1.00 10.00 C ATOM 1301 OG SER A 84 -7.595 -6.289 -7.966 1.00 10.00 O ATOM 0 H SER A 84 -5.734 -4.631 -8.504 1.00 10.00 H new ATOM 0 HA SER A 84 -7.813 -4.982 -10.395 1.00 10.00 H new ATOM 0 HB2 SER A 84 -7.996 -4.355 -7.404 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.234 -5.122 -8.379 1.00 10.00 H new ATOM 0 HG SER A 84 -6.689 -6.173 -7.611 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.504 -1.971 -9.066 1.00 10.00 N ATOM 1308 CA PHE A 85 -7.984 -0.593 -9.077 1.00 10.00 C ATOM 1309 C PHE A 85 -7.861 0.033 -10.467 1.00 10.00 C ATOM 1310 O PHE A 85 -8.826 0.653 -10.906 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.178 0.191 -8.022 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.458 1.671 -7.829 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -7.110 2.601 -8.827 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.940 2.136 -6.590 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -7.234 3.981 -8.587 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.059 3.515 -6.345 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.703 4.439 -7.343 1.00 10.00 C ATOM 0 H PHE A 85 -6.644 -2.095 -8.532 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.045 -0.563 -8.830 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.330 -0.300 -7.061 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.122 0.086 -8.271 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.746 2.253 -9.782 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.220 1.429 -5.823 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.969 4.689 -9.358 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.424 3.865 -5.390 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.790 5.499 -7.155 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.758 -0.163 -11.211 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.676 0.443 -12.550 1.00 10.00 C ATOM 1329 C LEU A 86 -7.580 -0.278 -13.551 1.00 10.00 C ATOM 1330 O LEU A 86 -8.200 0.398 -14.373 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.238 0.541 -13.088 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.385 1.717 -12.561 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.091 3.080 -12.630 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.899 1.492 -11.133 1.00 10.00 C ATOM 0 H LEU A 86 -5.946 -0.710 -10.925 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.035 1.465 -12.432 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.721 -0.389 -12.851 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.284 0.613 -14.175 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.532 1.743 -13.239 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.428 3.853 -12.242 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -5.346 3.306 -13.666 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -6.001 3.049 -12.031 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.305 2.348 -10.812 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.757 1.377 -10.471 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.287 0.591 -11.095 1.00 10.00 H new