USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=16 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 Single : A 7 THR OG1 : rot 34:sc= 0.397 USER MOD Single : A 15 SER OG : rot -70:sc= 1.21 USER MOD Single : A 16 SER OG : rot -161:sc= 0.825 USER MOD Single : A 19 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.011) USER MOD Single : A 20 ASN : amide:sc= 0.386 K(o=0.39,f=-0.17) USER MOD Single : A 21 THR OG1 : rot 94:sc= 1.15 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.28 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 11:sc= 1.26 USER MOD Single : A 47 THR OG1 : rot 105:sc= 0.914 USER MOD Single : A 51 LYS NZ :NH3+ 175:sc= 1 (180deg=0.642) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -144:sc= 1.04 USER MOD Single : A 64 SER OG : rot 100:sc= 0.92 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 101:sc= 1.27 USER MOD Single : A 84 SER OG : rot 66:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.767 12.003 -14.090 1.00 10.00 N ATOM 95 CA LEU A 6 -2.830 11.669 -13.021 1.00 10.00 C ATOM 96 C LEU A 6 -1.691 12.695 -12.948 1.00 10.00 C ATOM 97 O LEU A 6 -0.988 12.926 -13.931 1.00 10.00 O ATOM 98 CB LEU A 6 -2.289 10.246 -13.233 1.00 10.00 C ATOM 99 CG LEU A 6 -3.321 9.119 -13.018 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.643 7.760 -13.216 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.947 9.160 -11.619 1.00 10.00 C ATOM 0 HA LEU A 6 -3.355 11.702 -12.066 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.896 10.170 -14.247 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.452 10.086 -12.554 1.00 10.00 H new ATOM 0 HG LEU A 6 -4.117 9.267 -13.747 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.372 6.964 -13.064 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -2.243 7.697 -14.228 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.831 7.650 -12.497 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.666 8.347 -11.518 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -3.166 9.049 -10.867 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.455 10.114 -11.476 1.00 10.00 H new ATOM 113 N THR A 7 -1.523 13.310 -11.772 1.00 10.00 N ATOM 114 CA THR A 7 -0.504 14.328 -11.495 1.00 10.00 C ATOM 115 C THR A 7 -0.143 14.332 -10.000 1.00 10.00 C ATOM 116 O THR A 7 -0.554 13.437 -9.260 1.00 10.00 O ATOM 117 CB THR A 7 -0.993 15.700 -12.009 1.00 10.00 C ATOM 118 OG1 THR A 7 0.061 16.637 -11.966 1.00 10.00 O ATOM 119 CG2 THR A 7 -2.184 16.284 -11.246 1.00 10.00 C ATOM 0 H THR A 7 -2.110 13.107 -10.963 1.00 10.00 H new ATOM 0 HA THR A 7 0.417 14.095 -12.029 1.00 10.00 H new ATOM 0 HB THR A 7 -1.331 15.514 -13.029 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.909 16.184 -12.155 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.456 17.247 -11.678 1.00 10.00 H new ATOM 0 HG22 THR A 7 -3.031 15.602 -11.317 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.914 16.419 -10.199 1.00 10.00 H new ATOM 127 N GLU A 8 0.604 15.350 -9.560 1.00 10.00 N ATOM 128 CA GLU A 8 1.134 15.643 -8.213 1.00 10.00 C ATOM 129 C GLU A 8 0.069 15.807 -7.095 1.00 10.00 C ATOM 130 O GLU A 8 0.314 16.460 -6.084 1.00 10.00 O ATOM 131 CB GLU A 8 2.025 16.900 -8.312 1.00 10.00 C ATOM 132 CG GLU A 8 3.195 16.749 -9.298 1.00 10.00 C ATOM 133 CD GLU A 8 4.006 18.045 -9.387 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.570 18.941 -10.146 1.00 10.00 O ATOM 135 OE2 GLU A 8 5.048 18.127 -8.700 1.00 10.00 O ATOM 0 H GLU A 8 0.889 16.079 -10.214 1.00 10.00 H new ATOM 0 HA GLU A 8 1.702 14.766 -7.902 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.411 17.747 -8.617 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.421 17.133 -7.324 1.00 10.00 H new ATOM 0 HG2 GLU A 8 3.842 15.932 -8.979 1.00 10.00 H new ATOM 0 HG3 GLU A 8 2.813 16.486 -10.284 1.00 10.00 H new ATOM 142 N GLY A 9 -1.113 15.211 -7.268 1.00 10.00 N ATOM 143 CA GLY A 9 -2.189 15.130 -6.284 1.00 10.00 C ATOM 144 C GLY A 9 -2.927 13.798 -6.398 1.00 10.00 C ATOM 145 O GLY A 9 -3.034 13.060 -5.425 1.00 10.00 O ATOM 0 H GLY A 9 -1.355 14.749 -8.144 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -1.779 15.239 -5.280 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -2.888 15.953 -6.434 1.00 10.00 H new ATOM 149 N ASP A 10 -3.356 13.429 -7.605 1.00 10.00 N ATOM 150 CA ASP A 10 -3.997 12.142 -7.883 1.00 10.00 C ATOM 151 C ASP A 10 -3.040 10.952 -7.673 1.00 10.00 C ATOM 152 O ASP A 10 -3.444 9.926 -7.127 1.00 10.00 O ATOM 153 CB ASP A 10 -4.536 12.170 -9.322 1.00 10.00 C ATOM 154 CG ASP A 10 -5.372 13.425 -9.606 1.00 10.00 C ATOM 155 OD1 ASP A 10 -4.737 14.500 -9.720 1.00 10.00 O ATOM 156 OD2 ASP A 10 -6.615 13.301 -9.675 1.00 10.00 O ATOM 0 H ASP A 10 -3.267 14.023 -8.429 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.815 11.997 -7.178 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -3.701 12.126 -10.021 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -5.145 11.283 -9.497 1.00 10.00 H new ATOM 161 N LEU A 11 -1.758 11.094 -8.048 1.00 10.00 N ATOM 162 CA LEU A 11 -0.727 10.088 -7.762 1.00 10.00 C ATOM 163 C LEU A 11 -0.403 10.020 -6.259 1.00 10.00 C ATOM 164 O LEU A 11 -0.173 8.932 -5.728 1.00 10.00 O ATOM 165 CB LEU A 11 0.549 10.400 -8.569 1.00 10.00 C ATOM 166 CG LEU A 11 0.388 10.331 -10.103 1.00 10.00 C ATOM 167 CD1 LEU A 11 1.667 10.828 -10.782 1.00 10.00 C ATOM 168 CD2 LEU A 11 0.111 8.907 -10.594 1.00 10.00 C ATOM 0 H LEU A 11 -1.410 11.907 -8.556 1.00 10.00 H new ATOM 0 HA LEU A 11 -1.115 9.114 -8.060 1.00 10.00 H new ATOM 0 HB2 LEU A 11 0.895 11.398 -8.300 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.330 9.701 -8.269 1.00 10.00 H new ATOM 0 HG LEU A 11 -0.464 10.960 -10.361 1.00 10.00 H new ATOM 0 HD11 LEU A 11 1.548 10.777 -11.864 1.00 10.00 H new ATOM 0 HD12 LEU A 11 1.859 11.859 -10.486 1.00 10.00 H new ATOM 0 HD13 LEU A 11 2.506 10.202 -10.480 1.00 10.00 H new ATOM 0 HD21 LEU A 11 0.005 8.910 -11.679 1.00 10.00 H new ATOM 0 HD22 LEU A 11 0.939 8.257 -10.312 1.00 10.00 H new ATOM 0 HD23 LEU A 11 -0.809 8.539 -10.141 1.00 10.00 H new ATOM 180 N ASP A 12 -0.432 11.166 -5.565 1.00 10.00 N ATOM 181 CA ASP A 12 -0.276 11.230 -4.111 1.00 10.00 C ATOM 182 C ASP A 12 -1.444 10.520 -3.409 1.00 10.00 C ATOM 183 O ASP A 12 -1.201 9.666 -2.555 1.00 10.00 O ATOM 184 CB ASP A 12 -0.134 12.693 -3.667 1.00 10.00 C ATOM 185 CG ASP A 12 0.188 12.797 -2.176 1.00 10.00 C ATOM 186 OD1 ASP A 12 1.384 12.653 -1.843 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.764 13.015 -1.396 1.00 10.00 O ATOM 0 H ASP A 12 -0.565 12.078 -6.002 1.00 10.00 H new ATOM 0 HA ASP A 12 0.634 10.705 -3.820 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.654 13.175 -4.245 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.058 13.230 -3.879 1.00 10.00 H new ATOM 192 N GLU A 13 -2.689 10.763 -3.842 1.00 10.00 N ATOM 193 CA GLU A 13 -3.873 10.044 -3.365 1.00 10.00 C ATOM 194 C GLU A 13 -3.790 8.531 -3.631 1.00 10.00 C ATOM 195 O GLU A 13 -4.166 7.741 -2.769 1.00 10.00 O ATOM 196 CB GLU A 13 -5.161 10.660 -3.936 1.00 10.00 C ATOM 197 CG GLU A 13 -6.451 10.063 -3.341 1.00 10.00 C ATOM 198 CD GLU A 13 -6.633 10.355 -1.840 1.00 10.00 C ATOM 199 OE1 GLU A 13 -5.889 9.759 -1.020 1.00 10.00 O ATOM 200 OE2 GLU A 13 -7.533 11.163 -1.522 1.00 10.00 O ATOM 0 H GLU A 13 -2.902 11.474 -4.542 1.00 10.00 H new ATOM 0 HA GLU A 13 -3.904 10.159 -2.281 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.151 11.735 -3.754 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -5.172 10.520 -5.017 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -7.309 10.458 -3.886 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.446 8.984 -3.494 1.00 10.00 H new ATOM 207 N ILE A 14 -3.242 8.092 -4.773 1.00 10.00 N ATOM 208 CA ILE A 14 -2.993 6.657 -5.006 1.00 10.00 C ATOM 209 C ILE A 14 -1.949 6.125 -4.010 1.00 10.00 C ATOM 210 O ILE A 14 -2.139 5.041 -3.456 1.00 10.00 O ATOM 211 CB ILE A 14 -2.585 6.407 -6.475 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.826 6.578 -7.380 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.970 5.007 -6.681 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.522 6.623 -8.883 1.00 10.00 C ATOM 0 H ILE A 14 -2.964 8.700 -5.544 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.915 6.103 -4.833 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.818 7.135 -6.741 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.516 5.756 -7.187 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.340 7.498 -7.099 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.700 4.879 -7.729 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.079 4.906 -6.061 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.697 4.245 -6.398 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.452 6.745 -9.439 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.860 7.462 -9.095 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.038 5.694 -9.184 1.00 10.00 H new ATOM 226 N SER A 15 -0.889 6.890 -3.710 1.00 10.00 N ATOM 227 CA SER A 15 0.045 6.531 -2.634 1.00 10.00 C ATOM 228 C SER A 15 -0.649 6.443 -1.262 1.00 10.00 C ATOM 229 O SER A 15 -0.383 5.509 -0.505 1.00 10.00 O ATOM 230 CB SER A 15 1.253 7.479 -2.615 1.00 10.00 C ATOM 231 OG SER A 15 1.016 8.661 -1.879 1.00 10.00 O ATOM 0 H SER A 15 -0.658 7.757 -4.195 1.00 10.00 H new ATOM 0 HA SER A 15 0.418 5.529 -2.847 1.00 10.00 H new ATOM 0 HB2 SER A 15 2.110 6.958 -2.189 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.517 7.742 -3.639 1.00 10.00 H new ATOM 0 HG SER A 15 0.373 9.223 -2.360 1.00 10.00 H new ATOM 237 N SER A 16 -1.595 7.353 -0.982 1.00 10.00 N ATOM 238 CA SER A 16 -2.435 7.362 0.223 1.00 10.00 C ATOM 239 C SER A 16 -3.342 6.128 0.285 1.00 10.00 C ATOM 240 O SER A 16 -3.376 5.454 1.314 1.00 10.00 O ATOM 241 CB SER A 16 -3.235 8.682 0.279 1.00 10.00 C ATOM 242 OG SER A 16 -4.616 8.510 0.545 1.00 10.00 O ATOM 0 H SER A 16 -1.802 8.129 -1.611 1.00 10.00 H new ATOM 0 HA SER A 16 -1.797 7.311 1.105 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.805 9.323 1.049 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.121 9.204 -0.671 1.00 10.00 H new ATOM 0 HG SER A 16 -5.104 9.317 0.277 1.00 10.00 H new ATOM 248 N PHE A 17 -3.973 5.753 -0.835 1.00 10.00 N ATOM 249 CA PHE A 17 -4.801 4.552 -0.945 1.00 10.00 C ATOM 250 C PHE A 17 -3.989 3.282 -0.668 1.00 10.00 C ATOM 251 O PHE A 17 -4.446 2.408 0.073 1.00 10.00 O ATOM 252 CB PHE A 17 -5.435 4.521 -2.347 1.00 10.00 C ATOM 253 CG PHE A 17 -6.028 3.186 -2.765 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.210 2.719 -2.161 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.393 2.405 -3.753 1.00 10.00 C ATOM 256 CE1 PHE A 17 -7.761 1.484 -2.550 1.00 10.00 C ATOM 257 CE2 PHE A 17 -5.942 1.169 -4.139 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.131 0.713 -3.543 1.00 10.00 C ATOM 0 H PHE A 17 -3.920 6.286 -1.703 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.588 4.584 -0.191 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.219 5.277 -2.389 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.677 4.807 -3.076 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.695 3.309 -1.398 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.482 2.757 -4.215 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -8.669 1.128 -2.085 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.451 0.571 -4.892 1.00 10.00 H new ATOM 0 HZ PHE A 17 -7.561 -0.230 -3.848 1.00 10.00 H new ATOM 268 N LEU A 18 -2.766 3.196 -1.203 1.00 10.00 N ATOM 269 CA LEU A 18 -1.881 2.051 -0.990 1.00 10.00 C ATOM 270 C LEU A 18 -1.336 2.010 0.444 1.00 10.00 C ATOM 271 O LEU A 18 -1.426 0.966 1.091 1.00 10.00 O ATOM 272 CB LEU A 18 -0.755 2.089 -2.037 1.00 10.00 C ATOM 273 CG LEU A 18 -1.259 1.853 -3.476 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.155 2.171 -4.486 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.737 0.418 -3.699 1.00 10.00 C ATOM 0 H LEU A 18 -2.364 3.921 -1.797 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.450 1.130 -1.117 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.254 3.056 -1.988 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.011 1.331 -1.790 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.109 2.520 -3.622 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.526 2.000 -5.497 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.144 3.214 -4.381 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.704 1.526 -4.301 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.081 0.305 -4.727 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.914 -0.273 -3.514 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.557 0.197 -3.015 1.00 10.00 H new ATOM 287 N HIS A 19 -0.848 3.138 0.977 1.00 10.00 N ATOM 288 CA HIS A 19 -0.401 3.239 2.368 1.00 10.00 C ATOM 289 C HIS A 19 -1.530 2.882 3.347 1.00 10.00 C ATOM 290 O HIS A 19 -1.331 2.040 4.227 1.00 10.00 O ATOM 291 CB HIS A 19 0.152 4.652 2.613 1.00 10.00 C ATOM 292 CG HIS A 19 0.626 4.944 4.021 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.830 6.201 4.544 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.945 4.050 5.011 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.255 6.063 5.812 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.334 4.767 6.145 1.00 10.00 N ATOM 0 H HIS A 19 -0.753 4.007 0.452 1.00 10.00 H new ATOM 0 HA HIS A 19 0.395 2.516 2.547 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.984 4.819 1.929 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.623 5.374 2.355 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.903 2.974 4.928 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.499 6.883 6.471 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.620 4.382 7.045 1.00 10.00 H new ATOM 304 N ASN A 20 -2.730 3.448 3.156 1.00 10.00 N ATOM 305 CA ASN A 20 -3.896 3.102 3.959 1.00 10.00 C ATOM 306 C ASN A 20 -4.252 1.616 3.820 1.00 10.00 C ATOM 307 O ASN A 20 -4.552 0.980 4.824 1.00 10.00 O ATOM 308 CB ASN A 20 -5.086 4.001 3.582 1.00 10.00 C ATOM 309 CG ASN A 20 -6.250 3.735 4.524 1.00 10.00 C ATOM 310 OD1 ASN A 20 -6.337 4.320 5.591 1.00 10.00 O ATOM 311 ND2 ASN A 20 -7.110 2.797 4.177 1.00 10.00 N ATOM 0 H ASN A 20 -2.912 4.154 2.443 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.653 3.275 5.007 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -4.794 5.050 3.637 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -5.388 3.808 2.553 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -7.871 2.545 4.807 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -7.014 2.324 3.279 1.00 10.00 H new ATOM 318 N THR A 21 -4.177 1.046 2.610 1.00 10.00 N ATOM 319 CA THR A 21 -4.485 -0.372 2.377 1.00 10.00 C ATOM 320 C THR A 21 -3.551 -1.289 3.169 1.00 10.00 C ATOM 321 O THR A 21 -4.036 -2.195 3.845 1.00 10.00 O ATOM 322 CB THR A 21 -4.426 -0.714 0.880 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.378 0.047 0.173 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.749 -2.181 0.603 1.00 10.00 C ATOM 0 H THR A 21 -3.902 1.552 1.768 1.00 10.00 H new ATOM 0 HA THR A 21 -5.502 -0.541 2.730 1.00 10.00 H new ATOM 0 HB THR A 21 -3.407 -0.496 0.560 1.00 10.00 H new ATOM 0 HG1 THR A 21 -4.955 0.861 -0.173 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.693 -2.370 -0.469 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.030 -2.816 1.121 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.754 -2.406 0.959 1.00 10.00 H new ATOM 332 N ILE A 22 -2.233 -1.038 3.146 1.00 10.00 N ATOM 333 CA ILE A 22 -1.284 -1.795 3.979 1.00 10.00 C ATOM 334 C ILE A 22 -1.571 -1.557 5.466 1.00 10.00 C ATOM 335 O ILE A 22 -1.622 -2.520 6.226 1.00 10.00 O ATOM 336 CB ILE A 22 0.180 -1.435 3.649 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.501 -1.710 2.172 1.00 10.00 C ATOM 338 CG2 ILE A 22 1.191 -2.209 4.524 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.964 -1.441 1.831 1.00 10.00 C ATOM 0 H ILE A 22 -1.801 -0.321 2.563 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.421 -2.853 3.756 1.00 10.00 H new ATOM 0 HB ILE A 22 0.279 -0.370 3.860 1.00 10.00 H new ATOM 0 HG12 ILE A 22 0.262 -2.748 1.939 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.135 -1.087 1.543 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.206 -1.919 4.251 1.00 10.00 H new ATOM 0 HG22 ILE A 22 1.017 -1.975 5.574 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.065 -3.280 4.365 1.00 10.00 H new ATOM 0 HD11 ILE A 22 2.136 -1.651 0.775 1.00 10.00 H new ATOM 0 HD12 ILE A 22 2.199 -0.397 2.036 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.603 -2.083 2.438 1.00 10.00 H new ATOM 351 N SER A 23 -1.783 -0.300 5.882 1.00 10.00 N ATOM 352 CA SER A 23 -2.052 0.045 7.283 1.00 10.00 C ATOM 353 C SER A 23 -3.299 -0.669 7.825 1.00 10.00 C ATOM 354 O SER A 23 -3.216 -1.360 8.842 1.00 10.00 O ATOM 355 CB SER A 23 -2.179 1.564 7.422 1.00 10.00 C ATOM 356 OG SER A 23 -2.256 1.917 8.786 1.00 10.00 O ATOM 0 H SER A 23 -1.773 0.505 5.256 1.00 10.00 H new ATOM 0 HA SER A 23 -1.212 -0.300 7.886 1.00 10.00 H new ATOM 0 HB2 SER A 23 -1.322 2.053 6.959 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.068 1.913 6.896 1.00 10.00 H new ATOM 0 HG SER A 23 -2.335 2.890 8.868 1.00 10.00 H new ATOM 362 N ASP A 24 -4.429 -0.595 7.108 1.00 10.00 N ATOM 363 CA ASP A 24 -5.642 -1.332 7.460 1.00 10.00 C ATOM 364 C ASP A 24 -5.428 -2.845 7.386 1.00 10.00 C ATOM 365 O ASP A 24 -5.899 -3.540 8.284 1.00 10.00 O ATOM 366 CB ASP A 24 -6.824 -0.934 6.554 1.00 10.00 C ATOM 367 CG ASP A 24 -7.510 0.378 6.955 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.629 0.620 8.176 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.980 1.089 6.036 1.00 10.00 O ATOM 0 H ASP A 24 -4.524 -0.022 6.269 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.880 -1.066 8.490 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.467 -0.845 5.528 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.563 -1.736 6.566 1.00 10.00 H new ATOM 374 N PHE A 25 -4.681 -3.377 6.404 1.00 10.00 N ATOM 375 CA PHE A 25 -4.395 -4.814 6.379 1.00 10.00 C ATOM 376 C PHE A 25 -3.598 -5.238 7.616 1.00 10.00 C ATOM 377 O PHE A 25 -3.983 -6.204 8.273 1.00 10.00 O ATOM 378 CB PHE A 25 -3.666 -5.230 5.092 1.00 10.00 C ATOM 379 CG PHE A 25 -3.567 -6.741 4.947 1.00 10.00 C ATOM 380 CD1 PHE A 25 -2.628 -7.473 5.702 1.00 10.00 C ATOM 381 CD2 PHE A 25 -4.452 -7.428 4.094 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.604 -8.875 5.640 1.00 10.00 C ATOM 383 CE2 PHE A 25 -4.428 -8.833 4.030 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.517 -9.557 4.818 1.00 10.00 C ATOM 0 H PHE A 25 -4.274 -2.845 5.635 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.353 -5.333 6.394 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.191 -4.818 4.230 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.664 -4.801 5.090 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.923 -6.952 6.332 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.152 -6.874 3.486 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -1.884 -9.429 6.224 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.110 -9.355 3.375 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.519 -10.637 4.792 1.00 10.00 H new ATOM 394 N ILE A 26 -2.552 -4.487 7.991 1.00 10.00 N ATOM 395 CA ILE A 26 -1.745 -4.757 9.170 1.00 10.00 C ATOM 396 C ILE A 26 -2.644 -4.708 10.406 1.00 10.00 C ATOM 397 O ILE A 26 -2.722 -5.713 11.104 1.00 10.00 O ATOM 398 CB ILE A 26 -0.550 -3.772 9.197 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.502 -4.217 8.151 1.00 10.00 C ATOM 400 CG2 ILE A 26 0.096 -3.676 10.582 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.713 -3.284 8.025 1.00 10.00 C ATOM 0 H ILE A 26 -2.246 -3.665 7.470 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.310 -5.756 9.153 1.00 10.00 H new ATOM 0 HB ILE A 26 -0.930 -2.780 8.953 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.855 -5.215 8.412 1.00 10.00 H new ATOM 0 HG13 ILE A 26 0.017 -4.294 7.178 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.928 -2.973 10.547 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.642 -3.329 11.305 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.463 -4.658 10.881 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.396 -3.674 7.270 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.377 -2.290 7.731 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.228 -3.224 8.984 1.00 10.00 H new ATOM 413 N LEU A 27 -3.412 -3.631 10.621 1.00 10.00 N ATOM 414 CA LEU A 27 -4.336 -3.517 11.760 1.00 10.00 C ATOM 415 C LEU A 27 -5.432 -4.603 11.776 1.00 10.00 C ATOM 416 O LEU A 27 -5.893 -4.982 12.852 1.00 10.00 O ATOM 417 CB LEU A 27 -4.941 -2.099 11.798 1.00 10.00 C ATOM 418 CG LEU A 27 -4.146 -1.095 12.658 1.00 10.00 C ATOM 419 CD1 LEU A 27 -2.677 -0.925 12.255 1.00 10.00 C ATOM 420 CD2 LEU A 27 -4.822 0.277 12.594 1.00 10.00 C ATOM 0 H LEU A 27 -3.411 -2.814 10.011 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.754 -3.686 12.666 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.006 -1.716 10.779 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -5.960 -2.161 12.180 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.148 -1.511 13.665 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -2.200 -0.201 12.915 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -2.164 -1.883 12.337 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -2.621 -0.570 11.226 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -4.261 0.988 13.201 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -4.846 0.623 11.561 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -5.840 0.199 12.974 1.00 10.00 H new ATOM 432 N LYS A 28 -5.828 -5.137 10.611 1.00 10.00 N ATOM 433 CA LYS A 28 -6.744 -6.282 10.476 1.00 10.00 C ATOM 434 C LYS A 28 -6.075 -7.652 10.697 1.00 10.00 C ATOM 435 O LYS A 28 -6.802 -8.642 10.780 1.00 10.00 O ATOM 436 CB LYS A 28 -7.420 -6.236 9.094 1.00 10.00 C ATOM 437 CG LYS A 28 -8.485 -5.128 8.997 1.00 10.00 C ATOM 438 CD LYS A 28 -8.890 -4.821 7.544 1.00 10.00 C ATOM 439 CE LYS A 28 -9.376 -6.042 6.754 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.602 -6.629 7.345 1.00 10.00 N ATOM 0 H LYS A 28 -5.512 -4.775 9.711 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.484 -6.184 11.270 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -6.662 -6.076 8.327 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -7.884 -7.201 8.887 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.368 -5.428 9.561 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.103 -4.220 9.463 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -9.679 -4.069 7.550 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -8.037 -4.383 7.026 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -9.573 -5.752 5.722 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.588 -6.795 6.729 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -10.899 -7.452 6.783 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -10.407 -6.929 8.322 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -11.361 -5.918 7.346 1.00 10.00 H new ATOM 454 N ARG A 29 -4.739 -7.733 10.808 1.00 10.00 N ATOM 455 CA ARG A 29 -3.987 -8.997 10.962 1.00 10.00 C ATOM 456 C ARG A 29 -3.104 -9.065 12.224 1.00 10.00 C ATOM 457 O ARG A 29 -2.871 -10.166 12.718 1.00 10.00 O ATOM 458 CB ARG A 29 -3.175 -9.267 9.670 1.00 10.00 C ATOM 459 CG ARG A 29 -3.621 -10.517 8.893 1.00 10.00 C ATOM 460 CD ARG A 29 -3.369 -11.833 9.643 1.00 10.00 C ATOM 461 NE ARG A 29 -2.248 -12.610 9.077 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.490 -13.474 9.741 1.00 10.00 C ATOM 463 NH1 ARG A 29 -1.560 -13.608 11.047 1.00 10.00 N ATOM 464 NH2 ARG A 29 -0.623 -14.224 9.118 1.00 10.00 N ATOM 0 H ARG A 29 -4.137 -6.910 10.793 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.720 -9.790 11.111 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -3.256 -8.399 9.016 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.122 -9.372 9.932 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.685 -10.435 8.669 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -3.096 -10.547 7.938 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -3.161 -11.615 10.690 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.274 -12.439 9.617 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.038 -12.470 8.089 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.213 -13.037 11.584 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -0.961 -14.283 11.523 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.520 -14.151 8.106 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.048 -14.883 9.643 1.00 10.00 H new ATOM 478 N VAL A 30 -2.652 -7.925 12.757 1.00 10.00 N ATOM 479 CA VAL A 30 -1.789 -7.774 13.943 1.00 10.00 C ATOM 480 C VAL A 30 -2.081 -6.421 14.619 1.00 10.00 C ATOM 481 O VAL A 30 -2.353 -5.423 13.954 1.00 10.00 O ATOM 482 CB VAL A 30 -0.306 -7.924 13.530 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.074 -7.087 12.299 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.677 -7.630 14.668 1.00 10.00 C ATOM 0 H VAL A 30 -2.892 -7.022 12.348 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.001 -8.556 14.672 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.218 -8.978 13.266 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.128 -7.240 12.066 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.534 -7.394 11.448 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.101 -6.032 12.508 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.698 -7.754 14.308 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.537 -6.606 15.015 1.00 10.00 H new ATOM 0 HG23 VAL A 30 0.496 -8.320 15.492 1.00 10.00 H new ATOM 494 N SER A 31 -2.067 -6.369 15.954 1.00 10.00 N ATOM 495 CA SER A 31 -2.556 -5.207 16.700 1.00 10.00 C ATOM 496 C SER A 31 -1.573 -4.034 16.796 1.00 10.00 C ATOM 497 O SER A 31 -0.405 -4.182 17.149 1.00 10.00 O ATOM 498 CB SER A 31 -2.959 -5.619 18.119 1.00 10.00 C ATOM 499 OG SER A 31 -3.623 -4.534 18.747 1.00 10.00 O ATOM 0 H SER A 31 -1.719 -7.125 16.544 1.00 10.00 H new ATOM 0 HA SER A 31 -3.410 -4.850 16.124 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.612 -6.491 18.086 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.077 -5.903 18.693 1.00 10.00 H new ATOM 0 HG SER A 31 -3.885 -4.792 19.655 1.00 10.00 H new ATOM 505 N ALA A 32 -2.078 -2.814 16.602 1.00 10.00 N ATOM 506 CA ALA A 32 -1.364 -1.586 16.951 1.00 10.00 C ATOM 507 C ALA A 32 -0.833 -1.611 18.408 1.00 10.00 C ATOM 508 O ALA A 32 0.124 -0.910 18.715 1.00 10.00 O ATOM 509 CB ALA A 32 -2.286 -0.389 16.696 1.00 10.00 C ATOM 0 H ALA A 32 -2.999 -2.650 16.196 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.480 -1.498 16.319 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.765 0.533 16.953 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.569 -0.365 15.644 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.182 -0.482 17.310 1.00 10.00 H new ATOM 515 N LYS A 33 -1.449 -2.402 19.308 1.00 10.00 N ATOM 516 CA LYS A 33 -1.036 -2.569 20.710 1.00 10.00 C ATOM 517 C LYS A 33 0.136 -3.543 20.937 1.00 10.00 C ATOM 518 O LYS A 33 0.665 -3.566 22.044 1.00 10.00 O ATOM 519 CB LYS A 33 -2.239 -3.014 21.557 1.00 10.00 C ATOM 520 CG LYS A 33 -3.410 -2.019 21.483 1.00 10.00 C ATOM 521 CD LYS A 33 -4.567 -2.394 22.419 1.00 10.00 C ATOM 522 CE LYS A 33 -4.161 -2.283 23.894 1.00 10.00 C ATOM 523 NZ LYS A 33 -5.289 -2.613 24.795 1.00 10.00 N ATOM 0 H LYS A 33 -2.271 -2.957 19.070 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.669 -1.590 21.019 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.576 -3.993 21.217 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.927 -3.127 22.595 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -3.051 -1.022 21.738 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -3.778 -1.973 20.458 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -5.418 -1.741 22.226 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -4.892 -3.413 22.206 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -3.326 -2.955 24.094 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -3.813 -1.271 24.101 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -4.980 -2.528 25.784 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -6.076 -1.956 24.621 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -5.605 -3.587 24.614 1.00 10.00 H new ATOM 537 N GLU A 34 0.549 -4.319 19.928 1.00 10.00 N ATOM 538 CA GLU A 34 1.745 -5.190 19.972 1.00 10.00 C ATOM 539 C GLU A 34 2.837 -4.709 18.992 1.00 10.00 C ATOM 540 O GLU A 34 3.949 -5.237 18.962 1.00 10.00 O ATOM 541 CB GLU A 34 1.341 -6.667 19.762 1.00 10.00 C ATOM 542 CG GLU A 34 0.758 -6.950 18.370 1.00 10.00 C ATOM 543 CD GLU A 34 0.060 -8.304 18.228 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.649 -9.323 18.644 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.065 -8.294 17.665 1.00 10.00 O ATOM 0 H GLU A 34 0.056 -4.365 19.036 1.00 10.00 H new ATOM 0 HA GLU A 34 2.194 -5.121 20.963 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.215 -7.300 19.917 1.00 10.00 H new ATOM 0 HB3 GLU A 34 0.607 -6.946 20.518 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.046 -6.163 18.123 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.562 -6.893 17.637 1.00 10.00 H new ATOM 552 N ILE A 35 2.524 -3.660 18.223 1.00 10.00 N ATOM 553 CA ILE A 35 3.400 -2.967 17.283 1.00 10.00 C ATOM 554 C ILE A 35 4.019 -1.739 17.963 1.00 10.00 C ATOM 555 O ILE A 35 3.315 -0.906 18.527 1.00 10.00 O ATOM 556 CB ILE A 35 2.564 -2.586 16.041 1.00 10.00 C ATOM 557 CG1 ILE A 35 2.237 -3.868 15.245 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.260 -1.560 15.132 1.00 10.00 C ATOM 559 CD1 ILE A 35 1.179 -3.655 14.158 1.00 10.00 C ATOM 0 H ILE A 35 1.591 -3.249 18.245 1.00 10.00 H new ATOM 0 HA ILE A 35 4.224 -3.606 16.967 1.00 10.00 H new ATOM 0 HB ILE A 35 1.651 -2.108 16.395 1.00 10.00 H new ATOM 0 HG12 ILE A 35 3.151 -4.244 14.784 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.889 -4.637 15.935 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.620 -1.336 14.279 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.449 -0.645 15.694 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.206 -1.970 14.778 1.00 10.00 H new ATOM 0 HD11 ILE A 35 0.997 -4.595 13.638 1.00 10.00 H new ATOM 0 HD12 ILE A 35 0.252 -3.308 14.615 1.00 10.00 H new ATOM 0 HD13 ILE A 35 1.534 -2.909 13.446 1.00 10.00 H new ATOM 571 N VAL A 36 5.347 -1.627 17.893 1.00 10.00 N ATOM 572 CA VAL A 36 6.095 -0.420 18.260 1.00 10.00 C ATOM 573 C VAL A 36 5.884 0.657 17.195 1.00 10.00 C ATOM 574 O VAL A 36 5.537 1.783 17.545 1.00 10.00 O ATOM 575 CB VAL A 36 7.593 -0.761 18.426 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.521 0.460 18.381 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.801 -1.473 19.765 1.00 10.00 C ATOM 0 H VAL A 36 5.946 -2.388 17.573 1.00 10.00 H new ATOM 0 HA VAL A 36 5.730 -0.035 19.212 1.00 10.00 H new ATOM 0 HB VAL A 36 7.856 -1.394 17.579 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.554 0.136 18.505 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.411 0.965 17.421 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.257 1.147 19.185 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.856 -1.716 19.888 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.482 -0.820 20.578 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.213 -2.390 19.785 1.00 10.00 H new ATOM 587 N ASP A 37 6.069 0.317 15.910 1.00 10.00 N ATOM 588 CA ASP A 37 5.825 1.235 14.788 1.00 10.00 C ATOM 589 C ASP A 37 5.733 0.497 13.431 1.00 10.00 C ATOM 590 O ASP A 37 5.986 -0.709 13.343 1.00 10.00 O ATOM 591 CB ASP A 37 6.929 2.322 14.747 1.00 10.00 C ATOM 592 CG ASP A 37 6.409 3.688 14.275 1.00 10.00 C ATOM 593 OD1 ASP A 37 5.388 3.701 13.550 1.00 10.00 O ATOM 594 OD2 ASP A 37 7.040 4.701 14.649 1.00 10.00 O ATOM 0 H ASP A 37 6.393 -0.606 15.620 1.00 10.00 H new ATOM 0 HA ASP A 37 4.857 1.708 14.954 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.363 2.428 15.741 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.729 1.995 14.083 1.00 10.00 H new ATOM 599 N ILE A 38 5.440 1.243 12.360 1.00 10.00 N ATOM 600 CA ILE A 38 5.469 0.781 10.966 1.00 10.00 C ATOM 601 C ILE A 38 6.114 1.831 10.052 1.00 10.00 C ATOM 602 O ILE A 38 5.764 3.007 10.096 1.00 10.00 O ATOM 603 CB ILE A 38 4.056 0.409 10.436 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.973 1.484 10.708 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.636 -0.962 10.981 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.590 1.154 10.129 1.00 10.00 C ATOM 0 H ILE A 38 5.166 2.222 12.442 1.00 10.00 H new ATOM 0 HA ILE A 38 6.075 -0.125 10.951 1.00 10.00 H new ATOM 0 HB ILE A 38 4.135 0.360 9.350 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.879 1.622 11.785 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.310 2.434 10.293 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.645 -1.215 10.605 1.00 10.00 H new ATOM 0 HG22 ILE A 38 4.351 -1.717 10.656 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.613 -0.929 12.070 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.895 1.959 10.366 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.665 1.046 9.047 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.227 0.222 10.562 1.00 10.00 H new ATOM 618 N ASP A 39 7.017 1.384 9.175 1.00 10.00 N ATOM 619 CA ASP A 39 7.540 2.196 8.071 1.00 10.00 C ATOM 620 C ASP A 39 6.852 1.727 6.790 1.00 10.00 C ATOM 621 O ASP A 39 6.944 0.551 6.446 1.00 10.00 O ATOM 622 CB ASP A 39 9.062 2.036 7.902 1.00 10.00 C ATOM 623 CG ASP A 39 9.915 2.853 8.870 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.584 4.039 9.079 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.934 2.293 9.340 1.00 10.00 O ATOM 0 H ASP A 39 7.409 0.443 9.211 1.00 10.00 H new ATOM 0 HA ASP A 39 7.342 3.247 8.284 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.315 0.983 8.020 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.329 2.316 6.883 1.00 10.00 H new ATOM 630 N ILE A 40 6.174 2.627 6.070 1.00 10.00 N ATOM 631 CA ILE A 40 5.573 2.319 4.768 1.00 10.00 C ATOM 632 C ILE A 40 5.967 3.404 3.769 1.00 10.00 C ATOM 633 O ILE A 40 5.659 4.581 3.950 1.00 10.00 O ATOM 634 CB ILE A 40 4.044 2.111 4.870 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.738 0.809 5.641 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.441 1.998 3.455 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.291 0.647 6.098 1.00 10.00 C ATOM 0 H ILE A 40 6.026 3.590 6.373 1.00 10.00 H new ATOM 0 HA ILE A 40 5.961 1.367 4.406 1.00 10.00 H new ATOM 0 HB ILE A 40 3.610 2.961 5.396 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.999 -0.039 5.008 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.386 0.764 6.517 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.363 1.851 3.529 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.645 2.913 2.898 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.888 1.150 2.936 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.181 -0.298 6.629 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.025 1.469 6.762 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.632 0.654 5.230 1.00 10.00 H new ATOM 649 N THR A 41 6.625 2.968 2.695 1.00 10.00 N ATOM 650 CA THR A 41 7.075 3.795 1.579 1.00 10.00 C ATOM 651 C THR A 41 6.407 3.286 0.306 1.00 10.00 C ATOM 652 O THR A 41 6.634 2.150 -0.114 1.00 10.00 O ATOM 653 CB THR A 41 8.608 3.753 1.466 1.00 10.00 C ATOM 654 OG1 THR A 41 9.183 4.292 2.634 1.00 10.00 O ATOM 655 CG2 THR A 41 9.138 4.580 0.294 1.00 10.00 C ATOM 0 H THR A 41 6.869 1.985 2.575 1.00 10.00 H new ATOM 0 HA THR A 41 6.794 4.836 1.740 1.00 10.00 H new ATOM 0 HB THR A 41 8.875 2.707 1.316 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.160 4.263 2.561 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.226 4.513 0.264 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.725 4.196 -0.639 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.842 5.621 0.420 1.00 10.00 H new ATOM 663 N VAL A 42 5.599 4.142 -0.322 1.00 10.00 N ATOM 664 CA VAL A 42 5.001 3.895 -1.635 1.00 10.00 C ATOM 665 C VAL A 42 5.566 4.932 -2.599 1.00 10.00 C ATOM 666 O VAL A 42 5.493 6.130 -2.329 1.00 10.00 O ATOM 667 CB VAL A 42 3.462 3.958 -1.568 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.851 3.725 -2.955 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.892 2.902 -0.607 1.00 10.00 C ATOM 0 H VAL A 42 5.337 5.044 0.076 1.00 10.00 H new ATOM 0 HA VAL A 42 5.248 2.892 -1.982 1.00 10.00 H new ATOM 0 HB VAL A 42 3.203 4.952 -1.203 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.764 3.773 -2.887 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.206 4.493 -3.643 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.148 2.743 -3.323 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.805 2.978 -0.587 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.180 1.907 -0.947 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.286 3.071 0.395 1.00 10.00 H new ATOM 679 N LEU A 43 6.129 4.470 -3.717 1.00 10.00 N ATOM 680 CA LEU A 43 6.691 5.318 -4.767 1.00 10.00 C ATOM 681 C LEU A 43 5.914 5.087 -6.059 1.00 10.00 C ATOM 682 O LEU A 43 5.559 3.953 -6.383 1.00 10.00 O ATOM 683 CB LEU A 43 8.188 5.027 -4.961 1.00 10.00 C ATOM 684 CG LEU A 43 9.048 5.217 -3.698 1.00 10.00 C ATOM 685 CD1 LEU A 43 10.477 4.739 -3.964 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.094 6.675 -3.231 1.00 10.00 C ATOM 0 H LEU A 43 6.208 3.474 -3.921 1.00 10.00 H new ATOM 0 HA LEU A 43 6.600 6.365 -4.477 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.303 4.001 -5.311 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.572 5.677 -5.747 1.00 10.00 H new ATOM 0 HG LEU A 43 8.584 4.626 -2.909 1.00 10.00 H new ATOM 0 HD11 LEU A 43 11.080 4.876 -3.066 1.00 10.00 H new ATOM 0 HD12 LEU A 43 10.463 3.683 -4.234 1.00 10.00 H new ATOM 0 HD13 LEU A 43 10.908 5.317 -4.782 1.00 10.00 H new ATOM 0 HD21 LEU A 43 9.714 6.752 -2.338 1.00 10.00 H new ATOM 0 HD22 LEU A 43 9.517 7.297 -4.020 1.00 10.00 H new ATOM 0 HD23 LEU A 43 8.084 7.016 -3.002 1.00 10.00 H new ATOM 698 N VAL A 44 5.645 6.176 -6.781 1.00 10.00 N ATOM 699 CA VAL A 44 4.864 6.180 -8.021 1.00 10.00 C ATOM 700 C VAL A 44 5.520 7.138 -9.017 1.00 10.00 C ATOM 701 O VAL A 44 5.899 8.248 -8.648 1.00 10.00 O ATOM 702 CB VAL A 44 3.398 6.595 -7.752 1.00 10.00 C ATOM 703 CG1 VAL A 44 2.565 6.465 -9.033 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.718 5.753 -6.659 1.00 10.00 C ATOM 0 H VAL A 44 5.972 7.104 -6.513 1.00 10.00 H new ATOM 0 HA VAL A 44 4.848 5.173 -8.438 1.00 10.00 H new ATOM 0 HB VAL A 44 3.441 7.629 -7.409 1.00 10.00 H new ATOM 0 HG11 VAL A 44 1.536 6.760 -8.829 1.00 10.00 H new ATOM 0 HG12 VAL A 44 2.982 7.112 -9.805 1.00 10.00 H new ATOM 0 HG13 VAL A 44 2.585 5.431 -9.376 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.693 6.096 -6.520 1.00 10.00 H new ATOM 0 HG22 VAL A 44 2.713 4.705 -6.958 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.266 5.861 -5.723 1.00 10.00 H new ATOM 714 N GLU A 45 5.631 6.721 -10.280 1.00 10.00 N ATOM 715 CA GLU A 45 6.247 7.493 -11.360 1.00 10.00 C ATOM 716 C GLU A 45 5.547 7.197 -12.699 1.00 10.00 C ATOM 717 O GLU A 45 4.917 6.148 -12.868 1.00 10.00 O ATOM 718 CB GLU A 45 7.745 7.131 -11.439 1.00 10.00 C ATOM 719 CG GLU A 45 8.602 8.221 -12.098 1.00 10.00 C ATOM 720 CD GLU A 45 9.980 7.677 -12.487 1.00 10.00 C ATOM 721 OE1 GLU A 45 10.847 7.585 -11.593 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.144 7.365 -13.692 1.00 10.00 O ATOM 0 H GLU A 45 5.285 5.812 -10.588 1.00 10.00 H new ATOM 0 HA GLU A 45 6.141 8.558 -11.156 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.119 6.944 -10.433 1.00 10.00 H new ATOM 0 HB3 GLU A 45 7.858 6.203 -11.999 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.094 8.601 -12.984 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.719 9.060 -11.413 1.00 10.00 H new ATOM 729 N TYR A 46 5.700 8.100 -13.675 1.00 10.00 N ATOM 730 CA TYR A 46 5.288 7.866 -15.055 1.00 10.00 C ATOM 731 C TYR A 46 6.395 8.318 -16.019 1.00 10.00 C ATOM 732 O TYR A 46 6.564 9.514 -16.257 1.00 10.00 O ATOM 733 CB TYR A 46 3.927 8.519 -15.356 1.00 10.00 C ATOM 734 CG TYR A 46 3.291 7.884 -16.577 1.00 10.00 C ATOM 735 CD1 TYR A 46 3.856 8.093 -17.850 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.237 6.963 -16.420 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.468 7.286 -18.931 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.812 6.186 -17.513 1.00 10.00 C ATOM 739 CZ TYR A 46 2.480 6.294 -18.751 1.00 10.00 C ATOM 740 OH TYR A 46 2.235 5.393 -19.738 1.00 10.00 O ATOM 0 H TYR A 46 6.117 9.019 -13.523 1.00 10.00 H new ATOM 0 HA TYR A 46 5.143 6.796 -15.204 1.00 10.00 H new ATOM 0 HB2 TYR A 46 3.266 8.409 -14.496 1.00 10.00 H new ATOM 0 HB3 TYR A 46 4.059 9.588 -15.522 1.00 10.00 H new ATOM 0 HD1 TYR A 46 4.588 8.874 -17.994 1.00 10.00 H new ATOM 0 HD2 TYR A 46 1.755 6.853 -15.460 1.00 10.00 H new ATOM 0 HE1 TYR A 46 3.925 7.424 -19.900 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.977 5.509 -17.405 1.00 10.00 H new ATOM 0 HH TYR A 46 2.934 5.459 -20.422 1.00 10.00 H new ATOM 750 N THR A 47 7.129 7.350 -16.575 1.00 10.00 N ATOM 751 CA THR A 47 8.249 7.562 -17.508 1.00 10.00 C ATOM 752 C THR A 47 8.045 6.640 -18.710 1.00 10.00 C ATOM 753 O THR A 47 8.583 5.537 -18.751 1.00 10.00 O ATOM 754 CB THR A 47 9.608 7.377 -16.804 1.00 10.00 C ATOM 755 OG1 THR A 47 9.742 8.371 -15.816 1.00 10.00 O ATOM 756 CG2 THR A 47 10.805 7.573 -17.740 1.00 10.00 C ATOM 0 H THR A 47 6.957 6.363 -16.384 1.00 10.00 H new ATOM 0 HA THR A 47 8.264 8.591 -17.868 1.00 10.00 H new ATOM 0 HB THR A 47 9.613 6.359 -16.414 1.00 10.00 H new ATOM 0 HG1 THR A 47 9.602 7.974 -14.931 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.730 7.429 -17.182 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.754 6.848 -18.552 1.00 10.00 H new ATOM 0 HG23 THR A 47 10.783 8.582 -18.152 1.00 10.00 H new ATOM 764 N ASP A 48 7.187 7.075 -19.646 1.00 10.00 N ATOM 765 CA ASP A 48 6.614 6.311 -20.775 1.00 10.00 C ATOM 766 C ASP A 48 5.695 5.154 -20.322 1.00 10.00 C ATOM 767 O ASP A 48 4.567 5.030 -20.809 1.00 10.00 O ATOM 768 CB ASP A 48 7.706 5.867 -21.762 1.00 10.00 C ATOM 769 CG ASP A 48 7.112 5.489 -23.120 1.00 10.00 C ATOM 770 OD1 ASP A 48 6.540 6.402 -23.758 1.00 10.00 O ATOM 771 OD2 ASP A 48 7.246 4.308 -23.507 1.00 10.00 O ATOM 0 H ASP A 48 6.849 8.037 -19.637 1.00 10.00 H new ATOM 0 HA ASP A 48 5.957 6.991 -21.317 1.00 10.00 H new ATOM 0 HB2 ASP A 48 8.430 6.671 -21.891 1.00 10.00 H new ATOM 0 HB3 ASP A 48 8.246 5.015 -21.350 1.00 10.00 H new ATOM 776 N GLU A 49 6.123 4.396 -19.310 1.00 10.00 N ATOM 777 CA GLU A 49 5.333 3.425 -18.554 1.00 10.00 C ATOM 778 C GLU A 49 4.873 4.016 -17.208 1.00 10.00 C ATOM 779 O GLU A 49 5.478 4.953 -16.680 1.00 10.00 O ATOM 780 CB GLU A 49 6.138 2.128 -18.322 1.00 10.00 C ATOM 781 CG GLU A 49 7.402 2.294 -17.455 1.00 10.00 C ATOM 782 CD GLU A 49 7.986 0.939 -17.032 1.00 10.00 C ATOM 783 OE1 GLU A 49 8.367 0.161 -17.936 1.00 10.00 O ATOM 784 OE2 GLU A 49 8.044 0.690 -15.805 1.00 10.00 O ATOM 0 H GLU A 49 7.086 4.447 -18.978 1.00 10.00 H new ATOM 0 HA GLU A 49 4.448 3.184 -19.142 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.486 1.393 -17.851 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.430 1.721 -19.290 1.00 10.00 H new ATOM 0 HG2 GLU A 49 8.153 2.856 -18.011 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.160 2.878 -16.567 1.00 10.00 H new ATOM 791 N LEU A 50 3.826 3.417 -16.627 1.00 10.00 N ATOM 792 CA LEU A 50 3.408 3.673 -15.249 1.00 10.00 C ATOM 793 C LEU A 50 4.243 2.757 -14.349 1.00 10.00 C ATOM 794 O LEU A 50 4.186 1.536 -14.507 1.00 10.00 O ATOM 795 CB LEU A 50 1.909 3.333 -15.099 1.00 10.00 C ATOM 796 CG LEU A 50 1.368 3.372 -13.652 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.431 4.772 -13.036 1.00 10.00 C ATOM 798 CD2 LEU A 50 -0.088 2.895 -13.635 1.00 10.00 C ATOM 0 H LEU A 50 3.241 2.734 -17.108 1.00 10.00 H new ATOM 0 HA LEU A 50 3.555 4.718 -14.978 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.332 4.032 -15.705 1.00 10.00 H new ATOM 0 HB3 LEU A 50 1.736 2.338 -15.508 1.00 10.00 H new ATOM 0 HG LEU A 50 2.003 2.715 -13.058 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.038 4.740 -12.020 1.00 10.00 H new ATOM 0 HD12 LEU A 50 2.466 5.114 -13.015 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.834 5.460 -13.634 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.468 2.923 -12.614 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.692 3.548 -14.265 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -0.141 1.874 -14.014 1.00 10.00 H new ATOM 810 N LYS A 51 4.958 3.333 -13.376 1.00 10.00 N ATOM 811 CA LYS A 51 5.814 2.578 -12.459 1.00 10.00 C ATOM 812 C LYS A 51 5.398 2.844 -11.014 1.00 10.00 C ATOM 813 O LYS A 51 5.130 3.979 -10.626 1.00 10.00 O ATOM 814 CB LYS A 51 7.288 2.932 -12.736 1.00 10.00 C ATOM 815 CG LYS A 51 8.304 2.132 -11.899 1.00 10.00 C ATOM 816 CD LYS A 51 8.310 0.629 -12.234 1.00 10.00 C ATOM 817 CE LYS A 51 9.267 -0.174 -11.345 1.00 10.00 C ATOM 818 NZ LYS A 51 8.847 -0.145 -9.927 1.00 10.00 N ATOM 0 H LYS A 51 4.958 4.338 -13.203 1.00 10.00 H new ATOM 0 HA LYS A 51 5.698 1.507 -12.622 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.496 2.766 -13.793 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.436 3.995 -12.545 1.00 10.00 H new ATOM 0 HG2 LYS A 51 9.302 2.539 -12.063 1.00 10.00 H new ATOM 0 HG3 LYS A 51 8.077 2.262 -10.841 1.00 10.00 H new ATOM 0 HD2 LYS A 51 7.301 0.233 -12.124 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.593 0.495 -13.278 1.00 10.00 H new ATOM 0 HE2 LYS A 51 9.307 -1.206 -11.692 1.00 10.00 H new ATOM 0 HE3 LYS A 51 10.275 0.232 -11.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 9.467 -0.766 -9.369 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 8.914 0.828 -9.565 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.864 -0.476 -9.849 1.00 10.00 H new ATOM 832 N VAL A 52 5.352 1.771 -10.221 1.00 10.00 N ATOM 833 CA VAL A 52 5.041 1.794 -8.789 1.00 10.00 C ATOM 834 C VAL A 52 6.025 0.881 -8.058 1.00 10.00 C ATOM 835 O VAL A 52 6.422 -0.157 -8.597 1.00 10.00 O ATOM 836 CB VAL A 52 3.574 1.362 -8.530 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.213 1.332 -7.034 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.586 2.313 -9.221 1.00 10.00 C ATOM 0 H VAL A 52 5.536 0.830 -10.569 1.00 10.00 H new ATOM 0 HA VAL A 52 5.143 2.811 -8.410 1.00 10.00 H new ATOM 0 HB VAL A 52 3.496 0.354 -8.937 1.00 10.00 H new ATOM 0 HG11 VAL A 52 2.174 1.023 -6.916 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.863 0.626 -6.517 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.346 2.326 -6.608 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.566 1.985 -9.022 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.724 3.323 -8.836 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.766 2.306 -10.296 1.00 10.00 H new ATOM 848 N ASP A 53 6.378 1.254 -6.827 1.00 10.00 N ATOM 849 CA ASP A 53 7.126 0.435 -5.872 1.00 10.00 C ATOM 850 C ASP A 53 6.493 0.582 -4.486 1.00 10.00 C ATOM 851 O ASP A 53 6.017 1.658 -4.114 1.00 10.00 O ATOM 852 CB ASP A 53 8.609 0.839 -5.820 1.00 10.00 C ATOM 853 CG ASP A 53 9.304 0.624 -7.159 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.708 -0.528 -7.445 1.00 10.00 O ATOM 855 OD2 ASP A 53 9.338 1.570 -7.981 1.00 10.00 O ATOM 0 H ASP A 53 6.141 2.173 -6.453 1.00 10.00 H new ATOM 0 HA ASP A 53 7.081 -0.605 -6.197 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.690 1.888 -5.533 1.00 10.00 H new ATOM 0 HB3 ASP A 53 9.117 0.258 -5.050 1.00 10.00 H new ATOM 860 N ILE A 54 6.497 -0.512 -3.721 1.00 10.00 N ATOM 861 CA ILE A 54 5.916 -0.588 -2.382 1.00 10.00 C ATOM 862 C ILE A 54 6.941 -1.243 -1.460 1.00 10.00 C ATOM 863 O ILE A 54 7.500 -2.294 -1.771 1.00 10.00 O ATOM 864 CB ILE A 54 4.581 -1.375 -2.410 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.533 -0.642 -3.282 1.00 10.00 C ATOM 866 CG2 ILE A 54 4.054 -1.592 -0.982 1.00 10.00 C ATOM 867 CD1 ILE A 54 2.136 -1.277 -3.298 1.00 10.00 C ATOM 0 H ILE A 54 6.916 -1.391 -4.025 1.00 10.00 H new ATOM 0 HA ILE A 54 5.682 0.409 -2.010 1.00 10.00 H new ATOM 0 HB ILE A 54 4.765 -2.352 -2.856 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.444 0.385 -2.928 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.905 -0.595 -4.306 1.00 10.00 H new ATOM 0 HG21 ILE A 54 3.116 -2.146 -1.021 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.786 -2.158 -0.406 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.885 -0.626 -0.506 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.477 -0.689 -3.937 1.00 10.00 H new ATOM 0 HD12 ILE A 54 2.203 -2.294 -3.684 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.735 -1.299 -2.285 1.00 10.00 H new ATOM 879 N SER A 55 7.235 -0.600 -0.333 1.00 10.00 N ATOM 880 CA SER A 55 7.993 -1.195 0.765 1.00 10.00 C ATOM 881 C SER A 55 7.272 -0.936 2.082 1.00 10.00 C ATOM 882 O SER A 55 6.890 0.200 2.361 1.00 10.00 O ATOM 883 CB SER A 55 9.422 -0.656 0.760 1.00 10.00 C ATOM 884 OG SER A 55 10.057 -1.131 -0.411 1.00 10.00 O ATOM 0 H SER A 55 6.949 0.363 -0.154 1.00 10.00 H new ATOM 0 HA SER A 55 8.059 -2.276 0.638 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.420 0.434 0.778 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.959 -0.989 1.648 1.00 10.00 H new ATOM 0 HG SER A 55 10.978 -0.798 -0.442 1.00 10.00 H new ATOM 890 N ALA A 56 7.103 -1.978 2.895 1.00 10.00 N ATOM 891 CA ALA A 56 6.582 -1.869 4.251 1.00 10.00 C ATOM 892 C ALA A 56 7.493 -2.641 5.211 1.00 10.00 C ATOM 893 O ALA A 56 8.000 -3.705 4.859 1.00 10.00 O ATOM 894 CB ALA A 56 5.131 -2.369 4.285 1.00 10.00 C ATOM 0 H ALA A 56 7.329 -2.935 2.623 1.00 10.00 H new ATOM 0 HA ALA A 56 6.574 -0.828 4.576 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.742 -2.287 5.300 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.522 -1.764 3.613 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.098 -3.411 3.966 1.00 10.00 H new ATOM 900 N GLU A 57 7.664 -2.114 6.421 1.00 10.00 N ATOM 901 CA GLU A 57 8.376 -2.759 7.523 1.00 10.00 C ATOM 902 C GLU A 57 7.576 -2.577 8.820 1.00 10.00 C ATOM 903 O GLU A 57 6.934 -1.545 9.041 1.00 10.00 O ATOM 904 CB GLU A 57 9.819 -2.229 7.621 1.00 10.00 C ATOM 905 CG GLU A 57 10.675 -2.896 8.712 1.00 10.00 C ATOM 906 CD GLU A 57 10.784 -4.416 8.528 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.788 -5.101 8.862 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.843 -4.872 8.042 1.00 10.00 O ATOM 0 H GLU A 57 7.299 -1.195 6.670 1.00 10.00 H new ATOM 0 HA GLU A 57 8.461 -3.830 7.339 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.309 -2.368 6.657 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.786 -1.156 7.809 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.674 -2.460 8.703 1.00 10.00 H new ATOM 0 HG3 GLU A 57 10.243 -2.682 9.690 1.00 10.00 H new ATOM 915 N LEU A 58 7.612 -3.614 9.657 1.00 10.00 N ATOM 916 CA LEU A 58 6.736 -3.809 10.803 1.00 10.00 C ATOM 917 C LEU A 58 7.535 -4.088 12.080 1.00 10.00 C ATOM 918 O LEU A 58 8.075 -5.179 12.263 1.00 10.00 O ATOM 919 CB LEU A 58 5.791 -4.955 10.406 1.00 10.00 C ATOM 920 CG LEU A 58 4.818 -5.426 11.491 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.802 -4.357 11.875 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.065 -6.660 11.001 1.00 10.00 C ATOM 0 H LEU A 58 8.284 -4.373 9.546 1.00 10.00 H new ATOM 0 HA LEU A 58 6.162 -2.914 11.042 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.212 -4.639 9.538 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.395 -5.806 10.093 1.00 10.00 H new ATOM 0 HG LEU A 58 5.414 -5.654 12.375 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.139 -4.746 12.647 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.324 -3.478 12.254 1.00 10.00 H new ATOM 0 HD13 LEU A 58 3.216 -4.081 10.999 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.373 -6.995 11.774 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.508 -6.411 10.098 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.776 -7.457 10.781 1.00 10.00 H new ATOM 934 N TYR A 59 7.576 -3.111 12.990 1.00 10.00 N ATOM 935 CA TYR A 59 8.331 -3.216 14.234 1.00 10.00 C ATOM 936 C TYR A 59 7.397 -3.670 15.363 1.00 10.00 C ATOM 937 O TYR A 59 6.561 -2.896 15.827 1.00 10.00 O ATOM 938 CB TYR A 59 9.011 -1.872 14.543 1.00 10.00 C ATOM 939 CG TYR A 59 9.827 -1.291 13.397 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.121 -1.774 13.117 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.289 -0.255 12.610 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.878 -1.204 12.072 1.00 10.00 C ATOM 943 CE2 TYR A 59 10.041 0.321 11.576 1.00 10.00 C ATOM 944 CZ TYR A 59 11.345 -0.143 11.306 1.00 10.00 C ATOM 945 OH TYR A 59 12.092 0.436 10.326 1.00 10.00 O ATOM 0 H TYR A 59 7.084 -2.224 12.881 1.00 10.00 H new ATOM 0 HA TYR A 59 9.118 -3.964 14.137 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.245 -1.150 14.828 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.664 -2.001 15.406 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.534 -2.582 13.703 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.288 0.100 12.804 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.867 -1.580 11.857 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.621 1.122 10.985 1.00 10.00 H new ATOM 0 HH TYR A 59 11.900 1.397 10.293 1.00 10.00 H new ATOM 955 N LEU A 60 7.542 -4.924 15.806 1.00 10.00 N ATOM 956 CA LEU A 60 6.853 -5.494 16.972 1.00 10.00 C ATOM 957 C LEU A 60 7.561 -5.127 18.283 1.00 10.00 C ATOM 958 O LEU A 60 8.770 -4.896 18.311 1.00 10.00 O ATOM 959 CB LEU A 60 6.780 -7.039 16.888 1.00 10.00 C ATOM 960 CG LEU A 60 5.687 -7.665 16.003 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.293 -7.399 16.580 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.714 -7.177 14.559 1.00 10.00 C ATOM 0 H LEU A 60 8.162 -5.593 15.349 1.00 10.00 H new ATOM 0 HA LEU A 60 5.848 -5.072 16.964 1.00 10.00 H new ATOM 0 HB2 LEU A 60 7.745 -7.400 16.532 1.00 10.00 H new ATOM 0 HB3 LEU A 60 6.650 -7.422 17.900 1.00 10.00 H new ATOM 0 HG LEU A 60 5.903 -8.733 15.998 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.540 -7.852 15.935 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.224 -7.831 17.578 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.122 -6.324 16.638 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.916 -7.661 13.996 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.570 -6.097 14.537 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.676 -7.424 14.110 1.00 10.00 H new ATOM 974 N ASP A 61 6.784 -5.068 19.368 1.00 10.00 N ATOM 975 CA ASP A 61 7.321 -4.999 20.731 1.00 10.00 C ATOM 976 C ASP A 61 8.253 -6.199 21.019 1.00 10.00 C ATOM 977 O ASP A 61 8.024 -7.311 20.543 1.00 10.00 O ATOM 978 CB ASP A 61 6.145 -4.874 21.725 1.00 10.00 C ATOM 979 CG ASP A 61 6.306 -5.749 22.966 1.00 10.00 C ATOM 980 OD1 ASP A 61 7.159 -5.416 23.815 1.00 10.00 O ATOM 981 OD2 ASP A 61 5.640 -6.807 23.006 1.00 10.00 O ATOM 0 H ASP A 61 5.765 -5.067 19.327 1.00 10.00 H new ATOM 0 HA ASP A 61 7.947 -4.114 20.850 1.00 10.00 H new ATOM 0 HB2 ASP A 61 6.048 -3.833 22.033 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.219 -5.143 21.217 1.00 10.00 H new ATOM 986 N GLU A 62 9.290 -5.986 21.840 1.00 10.00 N ATOM 987 CA GLU A 62 10.305 -6.995 22.182 1.00 10.00 C ATOM 988 C GLU A 62 9.774 -8.209 22.974 1.00 10.00 C ATOM 989 O GLU A 62 10.521 -9.161 23.198 1.00 10.00 O ATOM 990 CB GLU A 62 11.494 -6.319 22.893 1.00 10.00 C ATOM 991 CG GLU A 62 11.148 -5.681 24.248 1.00 10.00 C ATOM 992 CD GLU A 62 12.383 -5.022 24.875 1.00 10.00 C ATOM 993 OE1 GLU A 62 12.747 -3.918 24.409 1.00 10.00 O ATOM 994 OE2 GLU A 62 12.954 -5.626 25.812 1.00 10.00 O ATOM 0 H GLU A 62 9.451 -5.088 22.296 1.00 10.00 H new ATOM 0 HA GLU A 62 10.639 -7.425 21.238 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.279 -7.060 23.045 1.00 10.00 H new ATOM 0 HB3 GLU A 62 11.903 -5.550 22.238 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.363 -4.937 24.114 1.00 10.00 H new ATOM 0 HG3 GLU A 62 10.755 -6.442 24.923 1.00 10.00 H new ATOM 1001 N LEU A 63 8.489 -8.208 23.350 1.00 10.00 N ATOM 1002 CA LEU A 63 7.783 -9.319 23.991 1.00 10.00 C ATOM 1003 C LEU A 63 6.678 -9.924 23.094 1.00 10.00 C ATOM 1004 O LEU A 63 5.920 -10.771 23.569 1.00 10.00 O ATOM 1005 CB LEU A 63 7.203 -8.816 25.326 1.00 10.00 C ATOM 1006 CG LEU A 63 8.230 -8.230 26.317 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.501 -7.660 27.536 1.00 10.00 C ATOM 1008 CD2 LEU A 63 9.235 -9.282 26.799 1.00 10.00 C ATOM 0 H LEU A 63 7.889 -7.396 23.208 1.00 10.00 H new ATOM 0 HA LEU A 63 8.492 -10.128 24.167 1.00 10.00 H new ATOM 0 HB2 LEU A 63 6.454 -8.053 25.112 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.686 -9.643 25.812 1.00 10.00 H new ATOM 0 HG LEU A 63 8.777 -7.449 25.789 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.228 -7.247 28.235 1.00 10.00 H new ATOM 0 HD12 LEU A 63 6.817 -6.873 27.216 1.00 10.00 H new ATOM 0 HD13 LEU A 63 6.937 -8.453 28.027 1.00 10.00 H new ATOM 0 HD21 LEU A 63 9.937 -8.822 27.494 1.00 10.00 H new ATOM 0 HD22 LEU A 63 8.703 -10.090 27.301 1.00 10.00 H new ATOM 0 HD23 LEU A 63 9.780 -9.683 25.944 1.00 10.00 H new ATOM 1020 N SER A 64 6.596 -9.525 21.815 1.00 10.00 N ATOM 1021 CA SER A 64 5.500 -9.868 20.892 1.00 10.00 C ATOM 1022 C SER A 64 6.009 -10.413 19.547 1.00 10.00 C ATOM 1023 O SER A 64 7.041 -9.978 19.038 1.00 10.00 O ATOM 1024 CB SER A 64 4.642 -8.622 20.642 1.00 10.00 C ATOM 1025 OG SER A 64 4.054 -8.150 21.841 1.00 10.00 O ATOM 0 H SER A 64 7.309 -8.939 21.381 1.00 10.00 H new ATOM 0 HA SER A 64 4.912 -10.657 21.361 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.257 -7.837 20.203 1.00 10.00 H new ATOM 0 HB3 SER A 64 3.860 -8.856 19.919 1.00 10.00 H new ATOM 0 HG SER A 64 4.578 -7.398 22.188 1.00 10.00 H new ATOM 1031 N ASP A 65 5.266 -11.348 18.937 1.00 10.00 N ATOM 1032 CA ASP A 65 5.708 -12.127 17.781 1.00 10.00 C ATOM 1033 C ASP A 65 4.546 -12.478 16.833 1.00 10.00 C ATOM 1034 O ASP A 65 3.852 -13.483 16.968 1.00 10.00 O ATOM 1035 CB ASP A 65 6.474 -13.380 18.262 1.00 10.00 C ATOM 1036 CG ASP A 65 5.691 -14.367 19.151 1.00 10.00 C ATOM 1037 OD1 ASP A 65 4.925 -13.912 20.033 1.00 10.00 O ATOM 1038 OD2 ASP A 65 5.931 -15.585 18.982 1.00 10.00 O ATOM 0 H ASP A 65 4.322 -11.585 19.243 1.00 10.00 H new ATOM 0 HA ASP A 65 6.389 -11.513 17.191 1.00 10.00 H new ATOM 0 HB2 ASP A 65 6.830 -13.920 17.384 1.00 10.00 H new ATOM 0 HB3 ASP A 65 7.355 -13.051 18.812 1.00 10.00 H new ATOM 1043 N ALA A 66 4.380 -11.628 15.819 1.00 10.00 N ATOM 1044 CA ALA A 66 3.510 -11.850 14.660 1.00 10.00 C ATOM 1045 C ALA A 66 4.117 -12.849 13.642 1.00 10.00 C ATOM 1046 O ALA A 66 5.220 -13.364 13.833 1.00 10.00 O ATOM 1047 CB ALA A 66 3.230 -10.487 14.017 1.00 10.00 C ATOM 0 H ALA A 66 4.865 -10.732 15.779 1.00 10.00 H new ATOM 0 HA ALA A 66 2.579 -12.310 14.992 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.583 -10.620 13.150 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.737 -9.838 14.741 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.170 -10.033 13.703 1.00 10.00 H new ATOM 1053 N ASP A 67 3.437 -13.089 12.510 1.00 10.00 N ATOM 1054 CA ASP A 67 3.807 -14.179 11.602 1.00 10.00 C ATOM 1055 C ASP A 67 4.911 -13.764 10.601 1.00 10.00 C ATOM 1056 O ASP A 67 4.897 -12.633 10.094 1.00 10.00 O ATOM 1057 CB ASP A 67 2.609 -14.574 10.722 1.00 10.00 C ATOM 1058 CG ASP A 67 1.294 -14.897 11.423 1.00 10.00 C ATOM 1059 OD1 ASP A 67 0.812 -14.101 12.258 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.603 -15.801 10.908 1.00 10.00 O ATOM 0 H ASP A 67 2.631 -12.543 12.205 1.00 10.00 H new ATOM 0 HA ASP A 67 4.148 -14.990 12.246 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.425 -13.760 10.021 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.898 -15.444 10.132 1.00 10.00 H new ATOM 1065 N PRO A 68 5.812 -14.700 10.217 1.00 10.00 N ATOM 1066 CA PRO A 68 6.909 -14.496 9.261 1.00 10.00 C ATOM 1067 C PRO A 68 6.417 -14.392 7.800 1.00 10.00 C ATOM 1068 O PRO A 68 6.841 -15.141 6.921 1.00 10.00 O ATOM 1069 CB PRO A 68 7.869 -15.669 9.512 1.00 10.00 C ATOM 1070 CG PRO A 68 6.922 -16.799 9.903 1.00 10.00 C ATOM 1071 CD PRO A 68 5.866 -16.067 10.728 1.00 10.00 C ATOM 0 HA PRO A 68 7.412 -13.541 9.411 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.448 -15.916 8.622 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.583 -15.446 10.305 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.489 -17.288 9.030 1.00 10.00 H new ATOM 0 HG3 PRO A 68 7.428 -17.571 10.483 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.895 -16.554 10.635 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.127 -16.075 11.786 1.00 10.00 H new ATOM 1079 N GLY A 69 5.483 -13.471 7.555 1.00 10.00 N ATOM 1080 CA GLY A 69 4.843 -13.230 6.257 1.00 10.00 C ATOM 1081 C GLY A 69 3.764 -12.138 6.262 1.00 10.00 C ATOM 1082 O GLY A 69 3.379 -11.666 5.197 1.00 10.00 O ATOM 0 H GLY A 69 5.137 -12.847 8.284 1.00 10.00 H new ATOM 0 HA2 GLY A 69 5.612 -12.958 5.534 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.395 -14.161 5.910 1.00 10.00 H new ATOM 1086 N ILE A 70 3.308 -11.685 7.437 1.00 10.00 N ATOM 1087 CA ILE A 70 2.193 -10.741 7.610 1.00 10.00 C ATOM 1088 C ILE A 70 2.362 -9.387 6.886 1.00 10.00 C ATOM 1089 O ILE A 70 1.381 -8.728 6.548 1.00 10.00 O ATOM 1090 CB ILE A 70 1.973 -10.596 9.130 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.513 -10.280 9.483 1.00 10.00 C ATOM 1092 CG2 ILE A 70 2.941 -9.591 9.777 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.247 -10.671 10.941 1.00 10.00 C ATOM 0 H ILE A 70 3.718 -11.975 8.325 1.00 10.00 H new ATOM 0 HA ILE A 70 1.306 -11.144 7.121 1.00 10.00 H new ATOM 0 HB ILE A 70 2.202 -11.572 9.557 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.313 -9.218 9.337 1.00 10.00 H new ATOM 0 HG13 ILE A 70 -0.159 -10.825 8.820 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.740 -9.530 10.847 1.00 10.00 H new ATOM 0 HG22 ILE A 70 3.968 -9.921 9.619 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.802 -8.609 9.325 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.789 -10.448 11.194 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.430 -11.738 11.071 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.910 -10.106 11.596 1.00 10.00 H new ATOM 1105 N VAL A 71 3.611 -8.990 6.621 1.00 10.00 N ATOM 1106 CA VAL A 71 3.982 -7.819 5.815 1.00 10.00 C ATOM 1107 C VAL A 71 3.802 -8.097 4.324 1.00 10.00 C ATOM 1108 O VAL A 71 3.162 -7.312 3.634 1.00 10.00 O ATOM 1109 CB VAL A 71 5.456 -7.478 6.077 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.006 -6.404 5.133 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.669 -7.018 7.523 1.00 10.00 C ATOM 0 H VAL A 71 4.424 -9.494 6.975 1.00 10.00 H new ATOM 0 HA VAL A 71 3.335 -6.988 6.097 1.00 10.00 H new ATOM 0 HB VAL A 71 6.004 -8.402 5.891 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.052 -6.210 5.372 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.927 -6.751 4.103 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.431 -5.486 5.252 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.722 -6.784 7.679 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.067 -6.130 7.715 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.369 -7.813 8.206 1.00 10.00 H new ATOM 1121 N ASP A 72 4.350 -9.212 3.832 1.00 10.00 N ATOM 1122 CA ASP A 72 4.165 -9.693 2.458 1.00 10.00 C ATOM 1123 C ASP A 72 2.677 -9.887 2.130 1.00 10.00 C ATOM 1124 O ASP A 72 2.234 -9.498 1.049 1.00 10.00 O ATOM 1125 CB ASP A 72 4.974 -10.983 2.256 1.00 10.00 C ATOM 1126 CG ASP A 72 5.062 -11.377 0.781 1.00 10.00 C ATOM 1127 OD1 ASP A 72 5.637 -10.572 0.014 1.00 10.00 O ATOM 1128 OD2 ASP A 72 4.583 -12.484 0.451 1.00 10.00 O ATOM 0 H ASP A 72 4.949 -9.820 4.391 1.00 10.00 H new ATOM 0 HA ASP A 72 4.537 -8.941 1.762 1.00 10.00 H new ATOM 0 HB2 ASP A 72 5.979 -10.847 2.656 1.00 10.00 H new ATOM 0 HB3 ASP A 72 4.513 -11.793 2.821 1.00 10.00 H new ATOM 1133 N GLU A 73 1.882 -10.337 3.115 1.00 10.00 N ATOM 1134 CA GLU A 73 0.424 -10.405 2.993 1.00 10.00 C ATOM 1135 C GLU A 73 -0.168 -8.995 2.824 1.00 10.00 C ATOM 1136 O GLU A 73 -1.042 -8.808 1.978 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.211 -11.012 4.261 1.00 10.00 C ATOM 1138 CG GLU A 73 0.034 -12.496 4.565 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.464 -12.879 5.976 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -1.498 -12.349 6.450 1.00 10.00 O ATOM 1141 OE2 GLU A 73 0.200 -13.708 6.637 1.00 10.00 O ATOM 0 H GLU A 73 2.235 -10.662 4.015 1.00 10.00 H new ATOM 0 HA GLU A 73 0.207 -11.027 2.124 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.142 -10.436 5.116 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.289 -10.860 4.197 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.474 -13.109 3.821 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.099 -12.713 4.483 1.00 10.00 H new ATOM 1148 N ALA A 74 0.322 -7.988 3.568 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.187 -6.618 3.448 1.00 10.00 C ATOM 1150 C ALA A 74 0.217 -5.963 2.120 1.00 10.00 C ATOM 1151 O ALA A 74 -0.583 -5.279 1.478 1.00 10.00 O ATOM 1152 CB ALA A 74 0.326 -5.783 4.626 1.00 10.00 C ATOM 0 H ALA A 74 1.067 -8.100 4.255 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.276 -6.661 3.465 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.050 -4.764 4.541 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.022 -6.221 5.561 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.416 -5.770 4.615 1.00 10.00 H new ATOM 1158 N VAL A 75 1.467 -6.185 1.710 1.00 10.00 N ATOM 1159 CA VAL A 75 2.061 -5.643 0.491 1.00 10.00 C ATOM 1160 C VAL A 75 1.395 -6.254 -0.747 1.00 10.00 C ATOM 1161 O VAL A 75 0.896 -5.500 -1.581 1.00 10.00 O ATOM 1162 CB VAL A 75 3.589 -5.842 0.557 1.00 10.00 C ATOM 1163 CG1 VAL A 75 4.285 -5.593 -0.781 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.192 -4.874 1.590 1.00 10.00 C ATOM 0 H VAL A 75 2.115 -6.769 2.238 1.00 10.00 H new ATOM 0 HA VAL A 75 1.883 -4.571 0.408 1.00 10.00 H new ATOM 0 HB VAL A 75 3.751 -6.883 0.836 1.00 10.00 H new ATOM 0 HG11 VAL A 75 5.358 -5.749 -0.668 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.895 -6.284 -1.528 1.00 10.00 H new ATOM 0 HG13 VAL A 75 4.100 -4.568 -1.102 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.272 -5.016 1.635 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.973 -3.847 1.297 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.759 -5.072 2.570 1.00 10.00 H new ATOM 1174 N ASP A 76 1.279 -7.586 -0.848 1.00 10.00 N ATOM 1175 CA ASP A 76 0.491 -8.235 -1.900 1.00 10.00 C ATOM 1176 C ASP A 76 -0.980 -7.797 -1.864 1.00 10.00 C ATOM 1177 O ASP A 76 -1.534 -7.519 -2.920 1.00 10.00 O ATOM 1178 CB ASP A 76 0.619 -9.765 -1.858 1.00 10.00 C ATOM 1179 CG ASP A 76 0.136 -10.382 -3.181 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.946 -10.477 -4.129 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.063 -10.715 -3.308 1.00 10.00 O ATOM 0 H ASP A 76 1.727 -8.239 -0.205 1.00 10.00 H new ATOM 0 HA ASP A 76 0.908 -7.903 -2.851 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.657 -10.044 -1.677 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.033 -10.162 -1.029 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.600 -7.608 -0.691 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.974 -7.092 -0.621 1.00 10.00 C ATOM 1188 C ALA A 77 -3.096 -5.666 -1.193 1.00 10.00 C ATOM 1189 O ALA A 77 -4.075 -5.362 -1.887 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.489 -7.162 0.819 1.00 10.00 C ATOM 0 H ALA A 77 -1.176 -7.803 0.216 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.599 -7.727 -1.249 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.508 -6.777 0.860 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.478 -8.197 1.159 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.848 -6.561 1.464 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.095 -4.802 -0.974 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.000 -3.513 -1.657 1.00 10.00 C ATOM 1198 C ALA A 78 -1.786 -3.685 -3.171 1.00 10.00 C ATOM 1199 O ALA A 78 -2.427 -2.982 -3.952 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.906 -2.661 -1.007 1.00 10.00 C ATOM 0 H ALA A 78 -1.333 -4.980 -0.320 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.948 -2.987 -1.546 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.839 -1.701 -1.520 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.149 -2.495 0.043 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.050 -3.179 -1.080 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.973 -4.658 -3.605 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.827 -4.987 -5.025 1.00 10.00 C ATOM 1208 C TYR A 79 -2.121 -5.514 -5.663 1.00 10.00 C ATOM 1209 O TYR A 79 -2.463 -5.037 -6.739 1.00 10.00 O ATOM 1210 CB TYR A 79 0.330 -5.971 -5.251 1.00 10.00 C ATOM 1211 CG TYR A 79 1.706 -5.339 -5.177 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.072 -4.419 -6.181 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.624 -5.684 -4.159 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.348 -3.830 -6.183 1.00 10.00 C ATOM 1215 CE2 TYR A 79 3.913 -5.105 -4.176 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.274 -4.178 -5.178 1.00 10.00 C ATOM 1217 OH TYR A 79 5.518 -3.625 -5.188 1.00 10.00 O ATOM 0 H TYR A 79 -0.403 -5.234 -2.985 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.594 -4.048 -5.528 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.267 -6.766 -4.508 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.209 -6.438 -6.228 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.365 -4.164 -6.956 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.345 -6.379 -3.381 1.00 10.00 H new ATOM 0 HE1 TYR A 79 3.617 -3.117 -6.948 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.630 -5.374 -3.414 1.00 10.00 H new ATOM 0 HH TYR A 79 6.034 -3.967 -4.428 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.892 -6.404 -5.017 1.00 10.00 N ATOM 1228 CA ARG A 80 -4.208 -6.855 -5.522 1.00 10.00 C ATOM 1229 C ARG A 80 -5.240 -5.732 -5.527 1.00 10.00 C ATOM 1230 O ARG A 80 -6.086 -5.658 -6.424 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.743 -8.074 -4.739 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.804 -9.292 -4.675 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.233 -9.719 -6.032 1.00 10.00 C ATOM 1234 NE ARG A 80 -1.910 -10.339 -5.895 1.00 10.00 N ATOM 1235 CZ ARG A 80 -1.052 -10.499 -6.894 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -1.373 -10.260 -8.150 1.00 10.00 N ATOM 1237 NH2 ARG A 80 0.174 -10.877 -6.636 1.00 10.00 N ATOM 0 H ARG A 80 -2.625 -6.833 -4.131 1.00 10.00 H new ATOM 0 HA ARG A 80 -4.044 -7.163 -6.555 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.968 -7.758 -3.720 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.684 -8.388 -5.190 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -2.978 -9.064 -4.002 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -4.346 -10.132 -4.241 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.916 -10.422 -6.509 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -3.161 -8.850 -6.686 1.00 10.00 H new ATOM 0 HE ARG A 80 -1.632 -10.669 -4.971 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -2.312 -9.939 -8.384 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -0.682 -10.396 -8.888 1.00 10.00 H new ATOM 0 HH21 ARG A 80 0.463 -11.046 -5.673 1.00 10.00 H new ATOM 0 HH22 ARG A 80 0.840 -11.002 -7.398 1.00 10.00 H new ATOM 1251 N SER A 81 -5.138 -4.823 -4.558 1.00 10.00 N ATOM 1252 CA SER A 81 -5.940 -3.604 -4.517 1.00 10.00 C ATOM 1253 C SER A 81 -5.591 -2.675 -5.687 1.00 10.00 C ATOM 1254 O SER A 81 -6.500 -2.182 -6.345 1.00 10.00 O ATOM 1255 CB SER A 81 -5.774 -2.905 -3.165 1.00 10.00 C ATOM 1256 OG SER A 81 -6.097 -3.807 -2.123 1.00 10.00 O ATOM 0 H SER A 81 -4.491 -4.914 -3.774 1.00 10.00 H new ATOM 0 HA SER A 81 -6.990 -3.873 -4.627 1.00 10.00 H new ATOM 0 HB2 SER A 81 -4.749 -2.552 -3.050 1.00 10.00 H new ATOM 0 HB3 SER A 81 -6.420 -2.029 -3.115 1.00 10.00 H new ATOM 0 HG SER A 81 -5.272 -4.161 -1.729 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.302 -2.500 -6.015 1.00 10.00 N ATOM 1263 CA LEU A 82 -3.845 -1.738 -7.184 1.00 10.00 C ATOM 1264 C LEU A 82 -4.217 -2.409 -8.517 1.00 10.00 C ATOM 1265 O LEU A 82 -4.737 -1.756 -9.419 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.319 -1.563 -7.083 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.721 -0.548 -8.074 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.315 0.861 -7.931 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.211 -0.474 -7.846 1.00 10.00 C ATOM 0 H LEU A 82 -3.537 -2.891 -5.466 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.348 -0.771 -7.178 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.069 -1.251 -6.069 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.844 -2.531 -7.245 1.00 10.00 H new ATOM 0 HG LEU A 82 -1.962 -0.896 -9.079 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -1.851 1.527 -8.658 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.390 0.823 -8.109 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.127 1.235 -6.925 1.00 10.00 H new ATOM 0 HD21 LEU A 82 0.227 0.242 -8.541 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.013 -0.154 -6.823 1.00 10.00 H new ATOM 0 HD23 LEU A 82 0.230 -1.457 -8.011 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.000 -3.724 -8.614 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.346 -4.580 -9.754 1.00 10.00 C ATOM 1283 C GLU A 83 -5.855 -4.531 -10.038 1.00 10.00 C ATOM 1284 O GLU A 83 -6.262 -4.573 -11.197 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.845 -5.995 -9.409 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.963 -7.081 -10.482 1.00 10.00 C ATOM 1287 CD GLU A 83 -3.176 -8.329 -10.040 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -3.561 -8.966 -9.030 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.137 -8.634 -10.664 1.00 10.00 O ATOM 0 H GLU A 83 -3.555 -4.248 -7.860 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.871 -4.238 -10.674 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.795 -5.918 -9.126 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.388 -6.336 -8.528 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -5.010 -7.337 -10.642 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -3.576 -6.712 -11.432 1.00 10.00 H new ATOM 1296 N SER A 84 -6.667 -4.343 -8.988 1.00 10.00 N ATOM 1297 CA SER A 84 -8.098 -4.046 -9.091 1.00 10.00 C ATOM 1298 C SER A 84 -8.353 -2.578 -9.479 1.00 10.00 C ATOM 1299 O SER A 84 -9.150 -2.309 -10.371 1.00 10.00 O ATOM 1300 CB SER A 84 -8.795 -4.348 -7.757 1.00 10.00 C ATOM 1301 OG SER A 84 -8.503 -5.653 -7.293 1.00 10.00 O ATOM 0 H SER A 84 -6.338 -4.395 -8.024 1.00 10.00 H new ATOM 0 HA SER A 84 -8.507 -4.680 -9.878 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.482 -3.618 -7.010 1.00 10.00 H new ATOM 0 HB3 SER A 84 -9.873 -4.238 -7.877 1.00 10.00 H new ATOM 0 HG SER A 84 -7.549 -5.717 -7.076 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.662 -1.617 -8.851 1.00 10.00 N ATOM 1308 CA PHE A 85 -7.888 -0.173 -9.012 1.00 10.00 C ATOM 1309 C PHE A 85 -7.731 0.321 -10.461 1.00 10.00 C ATOM 1310 O PHE A 85 -8.540 1.131 -10.918 1.00 10.00 O ATOM 1311 CB PHE A 85 -6.908 0.556 -8.078 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.042 2.062 -7.965 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.523 2.900 -8.970 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.591 2.629 -6.798 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.520 4.294 -8.790 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.601 4.024 -6.625 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.059 4.856 -7.619 1.00 10.00 C ATOM 0 H PHE A 85 -6.908 -1.828 -8.198 1.00 10.00 H new ATOM 0 HA PHE A 85 -8.924 0.044 -8.751 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -7.016 0.132 -7.080 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -5.895 0.332 -8.412 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.127 2.472 -9.879 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -8.006 1.989 -6.033 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -6.103 4.935 -9.553 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -8.024 4.455 -5.730 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.056 5.927 -7.484 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.726 -0.171 -11.202 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.541 0.177 -12.615 1.00 10.00 C ATOM 1329 C LEU A 86 -7.656 -0.326 -13.549 1.00 10.00 C ATOM 1330 O LEU A 86 -7.634 0.051 -14.723 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.166 -0.266 -13.151 1.00 10.00 C ATOM 1332 CG LEU A 86 -3.925 0.565 -12.746 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -4.131 2.081 -12.836 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -3.420 0.260 -11.341 1.00 10.00 C ATOM 0 H LEU A 86 -6.024 -0.817 -10.840 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.594 1.266 -12.626 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.998 -1.294 -12.830 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -5.220 -0.276 -14.240 1.00 10.00 H new ATOM 0 HG LEU A 86 -3.184 0.256 -13.483 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -3.216 2.591 -12.536 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -4.379 2.354 -13.862 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -4.945 2.377 -12.175 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -2.549 0.879 -11.125 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -4.206 0.475 -10.617 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.143 -0.792 -11.274 1.00 10.00 H new