USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 627 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 33 TYR OH : rot -99:sc= -1.72! USER MOD Set 1.2: A 70 HIS : no HD1:sc= -3.05! C(o=-4.8!,f=-12!) USER MOD Set 2.1: A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 35 GLN : amide:sc=-0.00591 X(o=-0.0059,f=-0.2) USER MOD Single : A 11 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.36) USER MOD Single : A 12 LYS NZ :NH3+ -179:sc= -2.27 (180deg=-2.29) USER MOD Single : A 19 ASN : amide:sc= -1.04 X(o=-1,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 36 THR OG1 : rot -41:sc= 1.1 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.52 K(o=-1.5,f=-9.5!) USER MOD Single : A 54 SER OG : rot -96:sc= 0.233 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.08 K(o=-1.1,f=-6!) USER MOD Single : A 74 TYR OH : rot -122:sc= 0.671 USER MOD Single : A 76 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.2!) USER MOD Single : A 78 THR OG1 : rot 40:sc= 0.362 USER MOD ----------------------------------------------------------------- ATOM 78 N VAL A 5 -12.249 3.897 -0.488 1.00 0.00 N ATOM 79 CA VAL A 5 -10.981 3.407 -1.015 1.00 0.00 C ATOM 80 C VAL A 5 -10.571 2.096 -0.350 1.00 0.00 C ATOM 81 O VAL A 5 -9.877 1.278 -0.950 1.00 0.00 O ATOM 82 CB VAL A 5 -9.852 4.438 -0.825 1.00 0.00 C ATOM 83 CG1 VAL A 5 -8.615 4.029 -1.611 1.00 0.00 C ATOM 84 CG2 VAL A 5 -10.320 5.828 -1.234 1.00 0.00 C ATOM 0 HA VAL A 5 -11.134 3.238 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.588 4.467 0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -7.829 4.770 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -8.267 3.057 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.861 3.967 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.508 6.542 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.616 5.818 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.172 6.121 -0.620 1.00 0.00 H new ATOM 94 N ALA A 6 -11.004 1.903 0.892 1.00 0.00 N ATOM 95 CA ALA A 6 -10.679 0.690 1.632 1.00 0.00 C ATOM 96 C ALA A 6 -11.258 -0.540 0.945 1.00 0.00 C ATOM 97 O ALA A 6 -10.568 -1.540 0.748 1.00 0.00 O ATOM 98 CB ALA A 6 -11.190 0.791 3.061 1.00 0.00 C ATOM 0 H ALA A 6 -11.580 2.570 1.406 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.594 0.585 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.940 -0.122 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.724 1.644 3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.272 0.923 3.052 1.00 0.00 H new ATOM 104 N ARG A 7 -12.530 -0.454 0.577 1.00 0.00 N ATOM 105 CA ARG A 7 -13.206 -1.556 -0.096 1.00 0.00 C ATOM 106 C ARG A 7 -12.555 -1.841 -1.441 1.00 0.00 C ATOM 107 O ARG A 7 -12.231 -2.986 -1.761 1.00 0.00 O ATOM 108 CB ARG A 7 -14.690 -1.233 -0.288 1.00 0.00 C ATOM 109 CG ARG A 7 -15.591 -1.858 0.766 1.00 0.00 C ATOM 110 CD ARG A 7 -17.046 -1.853 0.327 1.00 0.00 C ATOM 111 NE ARG A 7 -17.284 -2.767 -0.788 1.00 0.00 N ATOM 112 CZ ARG A 7 -18.343 -2.697 -1.592 1.00 0.00 C ATOM 113 NH1 ARG A 7 -19.265 -1.759 -1.409 1.00 0.00 N ATOM 114 NH2 ARG A 7 -18.481 -3.569 -2.583 1.00 0.00 N ATOM 0 H ARG A 7 -13.114 0.367 0.733 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.117 -2.445 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -14.823 -0.151 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -15.004 -1.578 -1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -15.271 -2.882 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -15.491 -1.311 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -17.680 -2.134 1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -17.333 -0.843 0.035 1.00 0.00 H new ATOM 0 HE ARG A 7 -16.598 -3.502 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -19.164 -1.086 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -20.074 -1.711 -2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -17.776 -4.292 -2.728 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -19.292 -3.516 -3.199 1.00 0.00 H new ATOM 128 N GLU A 8 -12.359 -0.788 -2.221 1.00 0.00 N ATOM 129 CA GLU A 8 -11.738 -0.912 -3.533 1.00 0.00 C ATOM 130 C GLU A 8 -10.280 -1.332 -3.397 1.00 0.00 C ATOM 131 O GLU A 8 -9.741 -2.025 -4.258 1.00 0.00 O ATOM 132 CB GLU A 8 -11.832 0.411 -4.294 1.00 0.00 C ATOM 133 CG GLU A 8 -13.244 0.967 -4.377 1.00 0.00 C ATOM 134 CD GLU A 8 -13.712 1.168 -5.805 1.00 0.00 C ATOM 135 OE1 GLU A 8 -13.806 0.165 -6.544 1.00 0.00 O ATOM 136 OE2 GLU A 8 -13.983 2.326 -6.185 1.00 0.00 O ATOM 0 H GLU A 8 -12.622 0.165 -1.968 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.272 -1.680 -4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.189 1.146 -3.809 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.447 0.268 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.928 0.288 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.287 1.919 -3.848 1.00 0.00 H new ATOM 143 N PHE A 9 -9.646 -0.908 -2.307 1.00 0.00 N ATOM 144 CA PHE A 9 -8.250 -1.240 -2.053 1.00 0.00 C ATOM 145 C PHE A 9 -8.060 -2.751 -1.958 1.00 0.00 C ATOM 146 O PHE A 9 -7.152 -3.311 -2.569 1.00 0.00 O ATOM 147 CB PHE A 9 -7.771 -0.567 -0.763 1.00 0.00 C ATOM 148 CG PHE A 9 -6.382 -0.968 -0.343 1.00 0.00 C ATOM 149 CD1 PHE A 9 -5.390 -1.178 -1.287 1.00 0.00 C ATOM 150 CD2 PHE A 9 -6.072 -1.135 0.998 1.00 0.00 C ATOM 151 CE1 PHE A 9 -4.114 -1.547 -0.902 1.00 0.00 C ATOM 152 CE2 PHE A 9 -4.798 -1.502 1.389 1.00 0.00 C ATOM 153 CZ PHE A 9 -3.818 -1.709 0.436 1.00 0.00 C ATOM 0 H PHE A 9 -10.079 -0.333 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.655 -0.871 -2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.801 0.514 -0.897 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.467 -0.809 0.041 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.616 -1.052 -2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.835 -0.976 1.746 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.350 -1.708 -1.648 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.569 -1.627 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.822 -1.997 0.738 1.00 0.00 H new ATOM 163 N ARG A 10 -8.922 -3.406 -1.190 1.00 0.00 N ATOM 164 CA ARG A 10 -8.844 -4.851 -1.021 1.00 0.00 C ATOM 165 C ARG A 10 -9.187 -5.573 -2.321 1.00 0.00 C ATOM 166 O ARG A 10 -8.537 -6.550 -2.693 1.00 0.00 O ATOM 167 CB ARG A 10 -9.789 -5.307 0.093 1.00 0.00 C ATOM 168 CG ARG A 10 -9.223 -6.424 0.954 1.00 0.00 C ATOM 169 CD ARG A 10 -10.020 -6.595 2.237 1.00 0.00 C ATOM 170 NE ARG A 10 -9.354 -7.488 3.183 1.00 0.00 N ATOM 171 CZ ARG A 10 -9.915 -7.928 4.307 1.00 0.00 C ATOM 172 NH1 ARG A 10 -11.149 -7.562 4.628 1.00 0.00 N ATOM 173 NH2 ARG A 10 -9.240 -8.737 5.112 1.00 0.00 N ATOM 0 H ARG A 10 -9.682 -2.960 -0.675 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.820 -5.103 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.025 -4.454 0.729 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.726 -5.642 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.231 -7.358 0.392 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -8.183 -6.207 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -10.170 -5.621 2.703 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.008 -6.990 2.000 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.404 -7.792 2.969 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.673 -6.940 4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.574 -7.902 5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.291 -9.022 4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.670 -9.074 5.973 1.00 0.00 H new ATOM 187 N HIS A 11 -10.215 -5.084 -3.007 1.00 0.00 N ATOM 188 CA HIS A 11 -10.653 -5.683 -4.264 1.00 0.00 C ATOM 189 C HIS A 11 -9.579 -5.571 -5.344 1.00 0.00 C ATOM 190 O HIS A 11 -9.202 -6.568 -5.960 1.00 0.00 O ATOM 191 CB HIS A 11 -11.943 -5.017 -4.744 1.00 0.00 C ATOM 192 CG HIS A 11 -13.149 -5.395 -3.941 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.224 -6.555 -3.196 1.00 0.00 N ATOM 194 CD2 HIS A 11 -14.333 -4.762 -3.766 1.00 0.00 C ATOM 195 CE1 HIS A 11 -14.401 -6.617 -2.600 1.00 0.00 C ATOM 196 NE2 HIS A 11 -15.092 -5.543 -2.928 1.00 0.00 N ATOM 0 H HIS A 11 -10.761 -4.274 -2.714 1.00 0.00 H new ATOM 0 HA HIS A 11 -10.837 -6.741 -4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -11.818 -3.935 -4.708 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -12.113 -5.284 -5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -14.626 -3.819 -4.203 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -14.740 -7.413 -1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -16.037 -5.327 -2.611 1.00 0.00 H new ATOM 205 N LYS A 12 -9.095 -4.355 -5.579 1.00 0.00 N ATOM 206 CA LYS A 12 -8.074 -4.128 -6.596 1.00 0.00 C ATOM 207 C LYS A 12 -6.813 -4.937 -6.303 1.00 0.00 C ATOM 208 O LYS A 12 -6.261 -5.580 -7.196 1.00 0.00 O ATOM 209 CB LYS A 12 -7.734 -2.638 -6.702 1.00 0.00 C ATOM 210 CG LYS A 12 -7.285 -2.012 -5.391 1.00 0.00 C ATOM 211 CD LYS A 12 -5.773 -1.876 -5.328 1.00 0.00 C ATOM 212 CE LYS A 12 -5.283 -0.695 -6.150 1.00 0.00 C ATOM 213 NZ LYS A 12 -4.643 -1.129 -7.423 1.00 0.00 N ATOM 0 H LYS A 12 -9.392 -3.515 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.479 -4.462 -7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.946 -2.507 -7.444 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.609 -2.101 -7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.745 -1.030 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.631 -2.623 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.461 -1.753 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.309 -2.792 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.122 -0.035 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.569 -0.117 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.308 -0.294 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.837 -1.752 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.336 -1.644 -8.002 1.00 0.00 H new ATOM 227 N VAL A 13 -6.364 -4.913 -5.050 1.00 0.00 N ATOM 228 CA VAL A 13 -5.168 -5.655 -4.656 1.00 0.00 C ATOM 229 C VAL A 13 -5.279 -7.119 -5.073 1.00 0.00 C ATOM 230 O VAL A 13 -4.383 -7.659 -5.722 1.00 0.00 O ATOM 231 CB VAL A 13 -4.925 -5.569 -3.132 1.00 0.00 C ATOM 232 CG1 VAL A 13 -3.816 -6.522 -2.699 1.00 0.00 C ATOM 233 CG2 VAL A 13 -4.591 -4.141 -2.730 1.00 0.00 C ATOM 0 H VAL A 13 -6.807 -4.391 -4.294 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.321 -5.198 -5.168 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.842 -5.869 -2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.666 -6.441 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.097 -7.545 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.891 -6.263 -3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.422 -4.096 -1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.691 -3.817 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.420 -3.485 -2.995 1.00 0.00 H new ATOM 243 N ASP A 14 -6.386 -7.753 -4.702 1.00 0.00 N ATOM 244 CA ASP A 14 -6.612 -9.152 -5.047 1.00 0.00 C ATOM 245 C ASP A 14 -6.672 -9.332 -6.561 1.00 0.00 C ATOM 246 O ASP A 14 -6.333 -10.393 -7.085 1.00 0.00 O ATOM 247 CB ASP A 14 -7.908 -9.655 -4.408 1.00 0.00 C ATOM 248 CG ASP A 14 -8.009 -11.167 -4.421 1.00 0.00 C ATOM 249 OD1 ASP A 14 -7.439 -11.793 -5.340 1.00 0.00 O ATOM 250 OD2 ASP A 14 -8.659 -11.726 -3.514 1.00 0.00 O ATOM 0 H ASP A 14 -7.138 -7.322 -4.164 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.777 -9.737 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.965 -9.299 -3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.760 -9.232 -4.940 1.00 0.00 H new ATOM 255 N PHE A 15 -7.110 -8.287 -7.260 1.00 0.00 N ATOM 256 CA PHE A 15 -7.217 -8.331 -8.713 1.00 0.00 C ATOM 257 C PHE A 15 -5.840 -8.378 -9.368 1.00 0.00 C ATOM 258 O PHE A 15 -5.578 -9.231 -10.217 1.00 0.00 O ATOM 259 CB PHE A 15 -7.994 -7.113 -9.222 1.00 0.00 C ATOM 260 CG PHE A 15 -8.354 -7.195 -10.678 1.00 0.00 C ATOM 261 CD1 PHE A 15 -8.912 -8.349 -11.204 1.00 0.00 C ATOM 262 CD2 PHE A 15 -8.135 -6.115 -11.521 1.00 0.00 C ATOM 263 CE1 PHE A 15 -9.244 -8.425 -12.544 1.00 0.00 C ATOM 264 CE2 PHE A 15 -8.465 -6.188 -12.860 1.00 0.00 C ATOM 265 CZ PHE A 15 -9.020 -7.344 -13.372 1.00 0.00 C ATOM 0 H PHE A 15 -7.396 -7.401 -6.843 1.00 0.00 H new ATOM 0 HA PHE A 15 -7.754 -9.241 -8.982 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.907 -7.004 -8.636 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.398 -6.216 -9.054 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.089 -9.198 -10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.702 -5.208 -11.126 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.678 -9.330 -12.943 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.289 -5.341 -13.507 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.278 -7.402 -14.419 1.00 0.00 H new ATOM 275 N LEU A 16 -4.962 -7.459 -8.973 1.00 0.00 N ATOM 276 CA LEU A 16 -3.614 -7.406 -9.536 1.00 0.00 C ATOM 277 C LEU A 16 -2.726 -8.496 -8.946 1.00 0.00 C ATOM 278 O LEU A 16 -2.166 -9.315 -9.676 1.00 0.00 O ATOM 279 CB LEU A 16 -2.975 -6.029 -9.311 1.00 0.00 C ATOM 280 CG LEU A 16 -3.275 -5.367 -7.961 1.00 0.00 C ATOM 281 CD1 LEU A 16 -1.983 -4.970 -7.261 1.00 0.00 C ATOM 282 CD2 LEU A 16 -4.169 -4.151 -8.154 1.00 0.00 C ATOM 0 H LEU A 16 -5.157 -6.746 -8.271 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.704 -7.577 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.894 -6.130 -9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.309 -5.360 -10.104 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.799 -6.088 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.216 -4.502 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.374 -5.858 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.433 -4.266 -7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.373 -3.692 -7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.668 -3.430 -8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.108 -4.459 -8.615 1.00 0.00 H new ATOM 294 N ILE A 17 -2.600 -8.502 -7.628 1.00 0.00 N ATOM 295 CA ILE A 17 -1.778 -9.494 -6.945 1.00 0.00 C ATOM 296 C ILE A 17 -2.452 -10.861 -6.949 1.00 0.00 C ATOM 297 O ILE A 17 -2.008 -11.781 -7.635 1.00 0.00 O ATOM 298 CB ILE A 17 -1.477 -9.077 -5.490 1.00 0.00 C ATOM 299 CG1 ILE A 17 -0.921 -7.650 -5.453 1.00 0.00 C ATOM 300 CG2 ILE A 17 -0.498 -10.052 -4.850 1.00 0.00 C ATOM 301 CD1 ILE A 17 -0.477 -7.207 -4.075 1.00 0.00 C ATOM 0 H ILE A 17 -3.056 -7.832 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.837 -9.556 -7.492 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.405 -9.101 -4.919 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -0.076 -7.581 -6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.684 -6.962 -5.818 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.296 -9.744 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.929 -11.053 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.433 -10.058 -5.417 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.095 -6.187 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.325 -7.243 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.309 -7.871 -3.715 1.00 0.00 H new ATOM 313 N GLU A 18 -3.528 -10.984 -6.180 1.00 0.00 N ATOM 314 CA GLU A 18 -4.278 -12.237 -6.089 1.00 0.00 C ATOM 315 C GLU A 18 -3.543 -13.276 -5.240 1.00 0.00 C ATOM 316 O GLU A 18 -4.020 -14.400 -5.077 1.00 0.00 O ATOM 317 CB GLU A 18 -4.547 -12.804 -7.487 1.00 0.00 C ATOM 318 CG GLU A 18 -5.915 -13.452 -7.627 1.00 0.00 C ATOM 319 CD GLU A 18 -5.919 -14.597 -8.621 1.00 0.00 C ATOM 320 OE1 GLU A 18 -5.762 -14.332 -9.831 1.00 0.00 O ATOM 321 OE2 GLU A 18 -6.079 -15.757 -8.190 1.00 0.00 O ATOM 0 H GLU A 18 -3.904 -10.229 -5.607 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.227 -12.013 -5.602 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.458 -12.001 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.779 -13.540 -7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.240 -13.820 -6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.639 -12.700 -7.942 1.00 0.00 H new ATOM 328 N ASN A 19 -2.385 -12.903 -4.700 1.00 0.00 N ATOM 329 CA ASN A 19 -1.603 -13.814 -3.874 1.00 0.00 C ATOM 330 C ASN A 19 -1.892 -13.592 -2.393 1.00 0.00 C ATOM 331 O ASN A 19 -1.987 -12.455 -1.931 1.00 0.00 O ATOM 332 CB ASN A 19 -0.109 -13.628 -4.148 1.00 0.00 C ATOM 333 CG ASN A 19 0.399 -14.556 -5.233 1.00 0.00 C ATOM 334 OD1 ASN A 19 -0.375 -15.074 -6.036 1.00 0.00 O ATOM 335 ND2 ASN A 19 1.709 -14.770 -5.262 1.00 0.00 N ATOM 0 H ASN A 19 -1.970 -11.979 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.889 -14.834 -4.131 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.078 -12.595 -4.440 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.451 -13.806 -3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.110 -15.385 -5.970 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.315 -14.319 -4.576 1.00 0.00 H new ATOM 342 N ASP A 20 -2.030 -14.688 -1.652 1.00 0.00 N ATOM 343 CA ASP A 20 -2.308 -14.612 -0.222 1.00 0.00 C ATOM 344 C ASP A 20 -1.046 -14.264 0.559 1.00 0.00 C ATOM 345 O ASP A 20 -1.086 -13.482 1.509 1.00 0.00 O ATOM 346 CB ASP A 20 -2.883 -15.939 0.278 1.00 0.00 C ATOM 347 CG ASP A 20 -3.899 -15.748 1.386 1.00 0.00 C ATOM 348 OD1 ASP A 20 -3.499 -15.324 2.492 1.00 0.00 O ATOM 349 OD2 ASP A 20 -5.093 -16.021 1.149 1.00 0.00 O ATOM 0 H ASP A 20 -1.954 -15.637 -2.018 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.042 -13.823 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.351 -16.465 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.071 -16.571 0.638 1.00 0.00 H new ATOM 354 N ALA A 21 0.073 -14.848 0.149 1.00 0.00 N ATOM 355 CA ALA A 21 1.351 -14.599 0.805 1.00 0.00 C ATOM 356 C ALA A 21 1.803 -13.160 0.594 1.00 0.00 C ATOM 357 O ALA A 21 2.245 -12.492 1.527 1.00 0.00 O ATOM 358 CB ALA A 21 2.405 -15.567 0.292 1.00 0.00 C ATOM 0 H ALA A 21 0.122 -15.498 -0.636 1.00 0.00 H new ATOM 0 HA ALA A 21 1.220 -14.758 1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.354 -15.369 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.092 -16.590 0.500 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.526 -15.437 -0.783 1.00 0.00 H new ATOM 364 N GLU A 22 1.686 -12.691 -0.642 1.00 0.00 N ATOM 365 CA GLU A 22 2.080 -11.330 -0.985 1.00 0.00 C ATOM 366 C GLU A 22 1.163 -10.316 -0.312 1.00 0.00 C ATOM 367 O GLU A 22 1.598 -9.231 0.077 1.00 0.00 O ATOM 368 CB GLU A 22 2.052 -11.137 -2.502 1.00 0.00 C ATOM 369 CG GLU A 22 3.395 -11.379 -3.171 1.00 0.00 C ATOM 370 CD GLU A 22 3.263 -11.696 -4.647 1.00 0.00 C ATOM 371 OE1 GLU A 22 2.197 -12.212 -5.051 1.00 0.00 O ATOM 372 OE2 GLU A 22 4.221 -11.429 -5.401 1.00 0.00 O ATOM 0 H GLU A 22 1.321 -13.234 -1.425 1.00 0.00 H new ATOM 0 HA GLU A 22 3.096 -11.168 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.314 -11.814 -2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.722 -10.122 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.022 -10.496 -3.048 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.903 -12.203 -2.670 1.00 0.00 H new ATOM 379 N LYS A 23 -0.109 -10.675 -0.176 1.00 0.00 N ATOM 380 CA LYS A 23 -1.088 -9.796 0.452 1.00 0.00 C ATOM 381 C LYS A 23 -0.838 -9.697 1.954 1.00 0.00 C ATOM 382 O LYS A 23 -1.029 -8.642 2.555 1.00 0.00 O ATOM 383 CB LYS A 23 -2.507 -10.303 0.187 1.00 0.00 C ATOM 384 CG LYS A 23 -3.193 -9.605 -0.976 1.00 0.00 C ATOM 385 CD LYS A 23 -4.698 -9.822 -0.945 1.00 0.00 C ATOM 386 CE LYS A 23 -5.084 -11.136 -1.605 1.00 0.00 C ATOM 387 NZ LYS A 23 -6.302 -11.730 -0.986 1.00 0.00 N ATOM 0 H LYS A 23 -0.486 -11.568 -0.492 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.983 -8.802 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.470 -11.374 -0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.107 -10.167 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.977 -8.537 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.789 -9.980 -1.916 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.047 -9.816 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.196 -8.997 -1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.260 -10.971 -2.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.256 -11.840 -1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.533 -12.625 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.126 -11.911 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.099 -11.069 -1.085 1.00 0.00 H new ATOM 401 N ASP A 24 -0.409 -10.803 2.551 1.00 0.00 N ATOM 402 CA ASP A 24 -0.129 -10.835 3.982 1.00 0.00 C ATOM 403 C ASP A 24 1.111 -10.010 4.304 1.00 0.00 C ATOM 404 O ASP A 24 1.183 -9.356 5.346 1.00 0.00 O ATOM 405 CB ASP A 24 0.065 -12.277 4.453 1.00 0.00 C ATOM 406 CG ASP A 24 -0.523 -12.519 5.829 1.00 0.00 C ATOM 407 OD1 ASP A 24 0.016 -11.968 6.811 1.00 0.00 O ATOM 408 OD2 ASP A 24 -1.525 -13.261 5.924 1.00 0.00 O ATOM 0 H ASP A 24 -0.248 -11.687 2.068 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.981 -10.403 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.400 -12.956 3.738 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.129 -12.511 4.469 1.00 0.00 H new ATOM 413 N TYR A 25 2.086 -10.041 3.401 1.00 0.00 N ATOM 414 CA TYR A 25 3.324 -9.294 3.584 1.00 0.00 C ATOM 415 C TYR A 25 3.062 -7.793 3.545 1.00 0.00 C ATOM 416 O TYR A 25 3.490 -7.054 4.433 1.00 0.00 O ATOM 417 CB TYR A 25 4.339 -9.676 2.506 1.00 0.00 C ATOM 418 CG TYR A 25 5.702 -9.055 2.710 1.00 0.00 C ATOM 419 CD1 TYR A 25 6.320 -9.082 3.953 1.00 0.00 C ATOM 420 CD2 TYR A 25 6.370 -8.441 1.657 1.00 0.00 C ATOM 421 CE1 TYR A 25 7.566 -8.515 4.142 1.00 0.00 C ATOM 422 CE2 TYR A 25 7.617 -7.872 1.839 1.00 0.00 C ATOM 423 CZ TYR A 25 8.210 -7.912 3.084 1.00 0.00 C ATOM 424 OH TYR A 25 9.450 -7.346 3.267 1.00 0.00 O ATOM 0 H TYR A 25 2.042 -10.577 2.534 1.00 0.00 H new ATOM 0 HA TYR A 25 3.732 -9.548 4.562 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.443 -10.761 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.953 -9.374 1.532 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.819 -9.554 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.908 -8.408 0.681 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.033 -8.545 5.115 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.124 -7.399 1.011 1.00 0.00 H new ATOM 0 HH TYR A 25 9.764 -6.965 2.421 1.00 0.00 H new ATOM 434 N LEU A 26 2.358 -7.345 2.511 1.00 0.00 N ATOM 435 CA LEU A 26 2.041 -5.930 2.361 1.00 0.00 C ATOM 436 C LEU A 26 1.148 -5.452 3.504 1.00 0.00 C ATOM 437 O LEU A 26 1.220 -4.294 3.918 1.00 0.00 O ATOM 438 CB LEU A 26 1.365 -5.672 1.008 1.00 0.00 C ATOM 439 CG LEU A 26 -0.138 -5.955 0.956 1.00 0.00 C ATOM 440 CD1 LEU A 26 -0.927 -4.721 1.369 1.00 0.00 C ATOM 441 CD2 LEU A 26 -0.546 -6.409 -0.436 1.00 0.00 C ATOM 0 H LEU A 26 1.997 -7.940 1.766 1.00 0.00 H new ATOM 0 HA LEU A 26 2.973 -5.365 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.530 -4.631 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.858 -6.284 0.253 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.363 -6.757 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.994 -4.940 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.655 -4.439 2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.698 -3.899 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.618 -6.606 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.308 -5.628 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.005 -7.319 -0.695 1.00 0.00 H new ATOM 453 N TYR A 27 0.311 -6.351 4.011 1.00 0.00 N ATOM 454 CA TYR A 27 -0.589 -6.020 5.108 1.00 0.00 C ATOM 455 C TYR A 27 0.199 -5.717 6.377 1.00 0.00 C ATOM 456 O TYR A 27 -0.105 -4.766 7.099 1.00 0.00 O ATOM 457 CB TYR A 27 -1.570 -7.167 5.360 1.00 0.00 C ATOM 458 CG TYR A 27 -3.021 -6.744 5.327 1.00 0.00 C ATOM 459 CD1 TYR A 27 -3.527 -6.017 4.256 1.00 0.00 C ATOM 460 CD2 TYR A 27 -3.885 -7.072 6.364 1.00 0.00 C ATOM 461 CE1 TYR A 27 -4.853 -5.629 4.222 1.00 0.00 C ATOM 462 CE2 TYR A 27 -5.212 -6.687 6.335 1.00 0.00 C ATOM 463 CZ TYR A 27 -5.691 -5.966 5.263 1.00 0.00 C ATOM 464 OH TYR A 27 -7.011 -5.581 5.230 1.00 0.00 O ATOM 0 H TYR A 27 0.238 -7.313 3.680 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.153 -5.130 4.829 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.410 -7.942 4.610 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.353 -7.613 6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.874 -5.751 3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.514 -7.637 7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.231 -5.064 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -5.871 -6.950 7.149 1.00 0.00 H new ATOM 0 HH TYR A 27 -7.465 -5.899 6.038 1.00 0.00 H new ATOM 474 N ASP A 28 1.214 -6.532 6.639 1.00 0.00 N ATOM 475 CA ASP A 28 2.052 -6.353 7.818 1.00 0.00 C ATOM 476 C ASP A 28 2.847 -5.055 7.723 1.00 0.00 C ATOM 477 O ASP A 28 3.034 -4.357 8.720 1.00 0.00 O ATOM 478 CB ASP A 28 3.007 -7.540 7.975 1.00 0.00 C ATOM 479 CG ASP A 28 2.435 -8.625 8.865 1.00 0.00 C ATOM 480 OD1 ASP A 28 1.196 -8.772 8.904 1.00 0.00 O ATOM 481 OD2 ASP A 28 3.228 -9.330 9.526 1.00 0.00 O ATOM 0 H ASP A 28 1.476 -7.323 6.051 1.00 0.00 H new ATOM 0 HA ASP A 28 1.404 -6.300 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.228 -7.958 6.993 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.951 -7.191 8.393 1.00 0.00 H new ATOM 486 N VAL A 29 3.306 -4.736 6.518 1.00 0.00 N ATOM 487 CA VAL A 29 4.077 -3.519 6.293 1.00 0.00 C ATOM 488 C VAL A 29 3.262 -2.284 6.660 1.00 0.00 C ATOM 489 O VAL A 29 3.730 -1.415 7.395 1.00 0.00 O ATOM 490 CB VAL A 29 4.533 -3.404 4.825 1.00 0.00 C ATOM 491 CG1 VAL A 29 5.465 -2.215 4.646 1.00 0.00 C ATOM 492 CG2 VAL A 29 5.208 -4.691 4.371 1.00 0.00 C ATOM 0 H VAL A 29 3.158 -5.303 5.683 1.00 0.00 H new ATOM 0 HA VAL A 29 4.958 -3.576 6.933 1.00 0.00 H new ATOM 0 HB VAL A 29 3.652 -3.244 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.776 -2.150 3.603 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.945 -1.299 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.343 -2.342 5.279 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.523 -4.590 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.079 -4.885 4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.506 -5.520 4.458 1.00 0.00 H new ATOM 502 N LEU A 30 2.039 -2.216 6.146 1.00 0.00 N ATOM 503 CA LEU A 30 1.156 -1.088 6.420 1.00 0.00 C ATOM 504 C LEU A 30 0.825 -1.010 7.907 1.00 0.00 C ATOM 505 O LEU A 30 0.840 0.068 8.502 1.00 0.00 O ATOM 506 CB LEU A 30 -0.133 -1.211 5.605 1.00 0.00 C ATOM 507 CG LEU A 30 -0.053 -0.664 4.180 1.00 0.00 C ATOM 508 CD1 LEU A 30 -0.944 -1.469 3.247 1.00 0.00 C ATOM 509 CD2 LEU A 30 -0.443 0.808 4.153 1.00 0.00 C ATOM 0 H LEU A 30 1.636 -2.929 5.537 1.00 0.00 H new ATOM 0 HA LEU A 30 1.673 -0.173 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.416 -2.262 5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.930 -0.689 6.134 1.00 0.00 H new ATOM 0 HG LEU A 30 0.976 -0.755 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.873 -1.064 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.621 -2.510 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.977 -1.410 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.381 1.182 3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.463 0.921 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.236 1.376 4.789 1.00 0.00 H new ATOM 521 N ARG A 31 0.533 -2.163 8.504 1.00 0.00 N ATOM 522 CA ARG A 31 0.203 -2.226 9.923 1.00 0.00 C ATOM 523 C ARG A 31 1.343 -1.673 10.770 1.00 0.00 C ATOM 524 O ARG A 31 1.117 -0.997 11.773 1.00 0.00 O ATOM 525 CB ARG A 31 -0.102 -3.668 10.334 1.00 0.00 C ATOM 526 CG ARG A 31 -1.533 -4.093 10.049 1.00 0.00 C ATOM 527 CD ARG A 31 -2.402 -4.000 11.293 1.00 0.00 C ATOM 528 NE ARG A 31 -3.740 -4.542 11.069 1.00 0.00 N ATOM 529 CZ ARG A 31 -4.566 -4.907 12.047 1.00 0.00 C ATOM 530 NH1 ARG A 31 -4.197 -4.788 13.316 1.00 0.00 N ATOM 531 NH2 ARG A 31 -5.766 -5.391 11.755 1.00 0.00 N ATOM 0 H ARG A 31 0.519 -3.064 8.027 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.682 -1.613 10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.578 -4.338 9.809 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.097 -3.783 11.400 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.951 -3.463 9.264 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.542 -5.116 9.674 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.924 -4.541 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.480 -2.958 11.603 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.060 -4.647 10.106 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.276 -4.415 13.546 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.834 -5.069 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.056 -5.483 10.781 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.399 -5.671 12.504 1.00 0.00 H new ATOM 545 N MET A 32 2.570 -1.964 10.354 1.00 0.00 N ATOM 546 CA MET A 32 3.751 -1.494 11.068 1.00 0.00 C ATOM 547 C MET A 32 4.092 -0.064 10.663 1.00 0.00 C ATOM 548 O MET A 32 4.627 0.708 11.459 1.00 0.00 O ATOM 549 CB MET A 32 4.943 -2.414 10.791 1.00 0.00 C ATOM 550 CG MET A 32 5.120 -3.508 11.831 1.00 0.00 C ATOM 551 SD MET A 32 6.163 -2.991 13.209 1.00 0.00 S ATOM 552 CE MET A 32 5.023 -3.163 14.579 1.00 0.00 C ATOM 0 H MET A 32 2.773 -2.523 9.526 1.00 0.00 H new ATOM 0 HA MET A 32 3.532 -1.511 12.136 1.00 0.00 H new ATOM 0 HB2 MET A 32 4.817 -2.873 9.810 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.852 -1.814 10.748 1.00 0.00 H new ATOM 0 HG2 MET A 32 4.142 -3.805 12.211 1.00 0.00 H new ATOM 0 HG3 MET A 32 5.558 -4.387 11.358 1.00 0.00 H new ATOM 0 HE1 MET A 32 5.522 -2.879 15.505 1.00 0.00 H new ATOM 0 HE2 MET A 32 4.161 -2.516 14.418 1.00 0.00 H new ATOM 0 HE3 MET A 32 4.691 -4.199 14.648 1.00 0.00 H new ATOM 562 N TYR A 33 3.774 0.284 9.420 1.00 0.00 N ATOM 563 CA TYR A 33 4.041 1.623 8.908 1.00 0.00 C ATOM 564 C TYR A 33 3.285 2.671 9.719 1.00 0.00 C ATOM 565 O TYR A 33 3.767 3.786 9.915 1.00 0.00 O ATOM 566 CB TYR A 33 3.644 1.712 7.431 1.00 0.00 C ATOM 567 CG TYR A 33 3.688 3.115 6.866 1.00 0.00 C ATOM 568 CD1 TYR A 33 4.870 3.846 6.859 1.00 0.00 C ATOM 569 CD2 TYR A 33 2.546 3.710 6.345 1.00 0.00 C ATOM 570 CE1 TYR A 33 4.912 5.129 6.346 1.00 0.00 C ATOM 571 CE2 TYR A 33 2.580 4.993 5.831 1.00 0.00 C ATOM 572 CZ TYR A 33 3.765 5.697 5.834 1.00 0.00 C ATOM 573 OH TYR A 33 3.803 6.973 5.322 1.00 0.00 O ATOM 0 H TYR A 33 3.331 -0.343 8.749 1.00 0.00 H new ATOM 0 HA TYR A 33 5.109 1.820 9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.309 1.075 6.848 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.636 1.315 7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.770 3.405 7.261 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.616 3.161 6.341 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.839 5.684 6.346 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.683 5.441 5.429 1.00 0.00 H new ATOM 0 HH TYR A 33 3.470 7.605 5.993 1.00 0.00 H new ATOM 583 N HIS A 34 2.096 2.304 10.185 1.00 0.00 N ATOM 584 CA HIS A 34 1.271 3.212 10.973 1.00 0.00 C ATOM 585 C HIS A 34 1.857 3.415 12.366 1.00 0.00 C ATOM 586 O HIS A 34 1.926 4.539 12.864 1.00 0.00 O ATOM 587 CB HIS A 34 -0.156 2.671 11.080 1.00 0.00 C ATOM 588 CG HIS A 34 -0.820 2.473 9.752 1.00 0.00 C ATOM 589 ND1 HIS A 34 -1.718 1.457 9.504 1.00 0.00 N ATOM 590 CD2 HIS A 34 -0.711 3.168 8.594 1.00 0.00 C ATOM 591 CE1 HIS A 34 -2.132 1.533 8.251 1.00 0.00 C ATOM 592 NE2 HIS A 34 -1.536 2.564 7.679 1.00 0.00 N ATOM 0 H HIS A 34 1.682 1.385 10.031 1.00 0.00 H new ATOM 0 HA HIS A 34 1.251 4.177 10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.137 1.721 11.613 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.754 3.360 11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.091 4.035 8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.837 0.866 7.776 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.668 2.863 6.713 1.00 0.00 H new ATOM 601 N GLN A 35 2.276 2.320 12.994 1.00 0.00 N ATOM 602 CA GLN A 35 2.854 2.381 14.332 1.00 0.00 C ATOM 603 C GLN A 35 4.273 2.939 14.292 1.00 0.00 C ATOM 604 O GLN A 35 4.644 3.780 15.112 1.00 0.00 O ATOM 605 CB GLN A 35 2.856 0.991 14.972 1.00 0.00 C ATOM 606 CG GLN A 35 1.694 0.756 15.922 1.00 0.00 C ATOM 607 CD GLN A 35 2.108 0.012 17.177 1.00 0.00 C ATOM 608 OE1 GLN A 35 2.955 -0.880 17.132 1.00 0.00 O ATOM 609 NE2 GLN A 35 1.509 0.374 18.305 1.00 0.00 N ATOM 0 H GLN A 35 2.226 1.381 12.598 1.00 0.00 H new ATOM 0 HA GLN A 35 2.240 3.051 14.934 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.828 0.238 14.185 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.791 0.851 15.514 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.257 1.715 16.200 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.918 0.189 15.408 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.812 1.119 18.296 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.745 -0.093 19.181 1.00 0.00 H new ATOM 618 N THR A 36 5.060 2.464 13.336 1.00 0.00 N ATOM 619 CA THR A 36 6.441 2.910 13.189 1.00 0.00 C ATOM 620 C THR A 36 6.506 4.287 12.534 1.00 0.00 C ATOM 621 O THR A 36 7.319 5.129 12.915 1.00 0.00 O ATOM 622 CB THR A 36 7.241 1.902 12.363 1.00 0.00 C ATOM 623 OG1 THR A 36 6.784 1.879 11.021 1.00 0.00 O ATOM 624 CG2 THR A 36 7.161 0.490 12.900 1.00 0.00 C ATOM 0 H THR A 36 4.766 1.769 12.650 1.00 0.00 H new ATOM 0 HA THR A 36 6.878 2.982 14.185 1.00 0.00 H new ATOM 0 HB THR A 36 8.277 2.237 12.422 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.805 1.919 11.008 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.751 -0.174 12.268 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.553 0.465 13.917 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.122 0.160 12.903 1.00 0.00 H new ATOM 632 N MET A 37 5.643 4.510 11.547 1.00 0.00 N ATOM 633 CA MET A 37 5.604 5.787 10.840 1.00 0.00 C ATOM 634 C MET A 37 6.911 6.034 10.088 1.00 0.00 C ATOM 635 O MET A 37 7.571 7.054 10.285 1.00 0.00 O ATOM 636 CB MET A 37 5.333 6.930 11.823 1.00 0.00 C ATOM 637 CG MET A 37 4.318 7.940 11.316 1.00 0.00 C ATOM 638 SD MET A 37 2.664 7.653 11.976 1.00 0.00 S ATOM 639 CE MET A 37 1.770 7.237 10.481 1.00 0.00 C ATOM 0 H MET A 37 4.962 3.825 11.219 1.00 0.00 H new ATOM 0 HA MET A 37 4.794 5.749 10.112 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.978 6.512 12.765 1.00 0.00 H new ATOM 0 HB3 MET A 37 6.270 7.445 12.036 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.644 8.944 11.587 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.283 7.899 10.227 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.728 7.032 10.725 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.821 8.072 9.782 1.00 0.00 H new ATOM 0 HE3 MET A 37 2.216 6.354 10.024 1.00 0.00 H new ATOM 649 N ASP A 38 7.277 5.091 9.225 1.00 0.00 N ATOM 650 CA ASP A 38 8.502 5.205 8.441 1.00 0.00 C ATOM 651 C ASP A 38 8.200 5.147 6.946 1.00 0.00 C ATOM 652 O ASP A 38 8.058 4.067 6.373 1.00 0.00 O ATOM 653 CB ASP A 38 9.479 4.089 8.821 1.00 0.00 C ATOM 654 CG ASP A 38 10.883 4.610 9.065 1.00 0.00 C ATOM 655 OD1 ASP A 38 11.237 5.657 8.485 1.00 0.00 O ATOM 656 OD2 ASP A 38 11.628 3.969 9.835 1.00 0.00 O ATOM 0 H ASP A 38 6.743 4.240 9.051 1.00 0.00 H new ATOM 0 HA ASP A 38 8.958 6.170 8.662 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.120 3.585 9.718 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.504 3.344 8.025 1.00 0.00 H new ATOM 661 N VAL A 39 8.101 6.317 6.324 1.00 0.00 N ATOM 662 CA VAL A 39 7.813 6.403 4.896 1.00 0.00 C ATOM 663 C VAL A 39 8.962 5.836 4.067 1.00 0.00 C ATOM 664 O VAL A 39 8.740 5.174 3.053 1.00 0.00 O ATOM 665 CB VAL A 39 7.549 7.857 4.463 1.00 0.00 C ATOM 666 CG1 VAL A 39 7.097 7.911 3.012 1.00 0.00 C ATOM 667 CG2 VAL A 39 6.520 8.509 5.374 1.00 0.00 C ATOM 0 H VAL A 39 8.216 7.219 6.786 1.00 0.00 H new ATOM 0 HA VAL A 39 6.915 5.811 4.718 1.00 0.00 H new ATOM 0 HB VAL A 39 8.481 8.415 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.916 8.947 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.873 7.488 2.373 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.178 7.336 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.347 9.536 5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.585 7.951 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.889 8.508 6.399 1.00 0.00 H new ATOM 677 N ALA A 40 10.189 6.101 4.504 1.00 0.00 N ATOM 678 CA ALA A 40 11.372 5.618 3.801 1.00 0.00 C ATOM 679 C ALA A 40 11.357 4.099 3.675 1.00 0.00 C ATOM 680 O ALA A 40 11.506 3.555 2.580 1.00 0.00 O ATOM 681 CB ALA A 40 12.634 6.077 4.515 1.00 0.00 C ATOM 0 H ALA A 40 10.390 6.647 5.341 1.00 0.00 H new ATOM 0 HA ALA A 40 11.362 6.039 2.796 1.00 0.00 H new ATOM 0 HB1 ALA A 40 13.509 5.709 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.659 7.166 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 40 12.640 5.685 5.532 1.00 0.00 H new ATOM 687 N VAL A 41 11.178 3.418 4.803 1.00 0.00 N ATOM 688 CA VAL A 41 11.146 1.962 4.818 1.00 0.00 C ATOM 689 C VAL A 41 9.963 1.428 4.018 1.00 0.00 C ATOM 690 O VAL A 41 10.064 0.396 3.354 1.00 0.00 O ATOM 691 CB VAL A 41 11.063 1.416 6.257 1.00 0.00 C ATOM 692 CG1 VAL A 41 11.228 -0.096 6.267 1.00 0.00 C ATOM 693 CG2 VAL A 41 12.108 2.081 7.140 1.00 0.00 C ATOM 0 H VAL A 41 11.053 3.852 5.717 1.00 0.00 H new ATOM 0 HA VAL A 41 12.075 1.623 4.360 1.00 0.00 H new ATOM 0 HB VAL A 41 10.078 1.651 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.166 -0.462 7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.438 -0.552 5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.198 -0.359 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.035 1.684 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 41 13.102 1.879 6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.936 3.157 7.159 1.00 0.00 H new ATOM 703 N LEU A 42 8.844 2.138 4.086 1.00 0.00 N ATOM 704 CA LEU A 42 7.638 1.737 3.368 1.00 0.00 C ATOM 705 C LEU A 42 7.878 1.720 1.862 1.00 0.00 C ATOM 706 O LEU A 42 7.588 0.731 1.188 1.00 0.00 O ATOM 707 CB LEU A 42 6.485 2.686 3.702 1.00 0.00 C ATOM 708 CG LEU A 42 5.171 2.390 2.975 1.00 0.00 C ATOM 709 CD1 LEU A 42 4.289 1.484 3.820 1.00 0.00 C ATOM 710 CD2 LEU A 42 4.445 3.682 2.638 1.00 0.00 C ATOM 0 H LEU A 42 8.745 2.995 4.631 1.00 0.00 H new ATOM 0 HA LEU A 42 7.375 0.728 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.304 2.650 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.792 3.704 3.465 1.00 0.00 H new ATOM 0 HG LEU A 42 5.401 1.874 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.359 1.283 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.808 0.545 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.067 1.974 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.513 3.452 2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.226 4.226 3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.075 4.296 1.994 1.00 0.00 H new ATOM 722 N VAL A 43 8.404 2.822 1.338 1.00 0.00 N ATOM 723 CA VAL A 43 8.680 2.934 -0.090 1.00 0.00 C ATOM 724 C VAL A 43 9.645 1.848 -0.555 1.00 0.00 C ATOM 725 O VAL A 43 9.459 1.252 -1.616 1.00 0.00 O ATOM 726 CB VAL A 43 9.270 4.313 -0.443 1.00 0.00 C ATOM 727 CG1 VAL A 43 9.361 4.484 -1.951 1.00 0.00 C ATOM 728 CG2 VAL A 43 8.439 5.426 0.182 1.00 0.00 C ATOM 0 H VAL A 43 8.648 3.651 1.881 1.00 0.00 H new ATOM 0 HA VAL A 43 7.726 2.811 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 43 10.278 4.373 -0.034 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.780 5.464 -2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.003 3.708 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.365 4.403 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.871 6.392 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.417 5.372 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.433 5.311 1.266 1.00 0.00 H new ATOM 738 N GLY A 44 10.678 1.597 0.244 1.00 0.00 N ATOM 739 CA GLY A 44 11.657 0.584 -0.107 1.00 0.00 C ATOM 740 C GLY A 44 11.036 -0.786 -0.297 1.00 0.00 C ATOM 741 O GLY A 44 11.107 -1.361 -1.382 1.00 0.00 O ATOM 0 H GLY A 44 10.854 2.076 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.166 0.879 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.415 0.530 0.675 1.00 0.00 H new ATOM 745 N ASP A 45 10.428 -1.311 0.762 1.00 0.00 N ATOM 746 CA ASP A 45 9.794 -2.622 0.709 1.00 0.00 C ATOM 747 C ASP A 45 8.695 -2.657 -0.350 1.00 0.00 C ATOM 748 O ASP A 45 8.647 -3.563 -1.181 1.00 0.00 O ATOM 749 CB ASP A 45 9.212 -2.986 2.076 1.00 0.00 C ATOM 750 CG ASP A 45 10.193 -3.756 2.937 1.00 0.00 C ATOM 751 OD1 ASP A 45 10.968 -4.560 2.378 1.00 0.00 O ATOM 752 OD2 ASP A 45 10.186 -3.554 4.169 1.00 0.00 O ATOM 0 H ASP A 45 10.361 -0.847 1.668 1.00 0.00 H new ATOM 0 HA ASP A 45 10.556 -3.353 0.438 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.915 -2.075 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.310 -3.582 1.936 1.00 0.00 H new ATOM 757 N LEU A 46 7.811 -1.664 -0.309 1.00 0.00 N ATOM 758 CA LEU A 46 6.710 -1.580 -1.261 1.00 0.00 C ATOM 759 C LEU A 46 7.223 -1.568 -2.699 1.00 0.00 C ATOM 760 O LEU A 46 6.528 -1.999 -3.618 1.00 0.00 O ATOM 761 CB LEU A 46 5.871 -0.328 -0.996 1.00 0.00 C ATOM 762 CG LEU A 46 4.870 -0.449 0.156 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.023 0.809 0.260 1.00 0.00 C ATOM 764 CD2 LEU A 46 3.989 -1.674 -0.032 1.00 0.00 C ATOM 0 H LEU A 46 7.836 -0.907 0.374 1.00 0.00 H new ATOM 0 HA LEU A 46 6.086 -2.464 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.544 0.504 -0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.326 -0.076 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 46 5.426 -0.565 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.317 0.705 1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.669 1.668 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.475 0.957 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.283 -1.745 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.441 -1.587 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.611 -2.569 -0.056 1.00 0.00 H new ATOM 776 N LYS A 47 8.441 -1.072 -2.888 1.00 0.00 N ATOM 777 CA LYS A 47 9.037 -1.007 -4.217 1.00 0.00 C ATOM 778 C LYS A 47 9.467 -2.394 -4.688 1.00 0.00 C ATOM 779 O LYS A 47 9.119 -2.824 -5.787 1.00 0.00 O ATOM 780 CB LYS A 47 10.240 -0.060 -4.215 1.00 0.00 C ATOM 781 CG LYS A 47 9.945 1.297 -4.837 1.00 0.00 C ATOM 782 CD LYS A 47 10.994 1.678 -5.870 1.00 0.00 C ATOM 783 CE LYS A 47 10.903 3.149 -6.241 1.00 0.00 C ATOM 784 NZ LYS A 47 11.735 4.002 -5.347 1.00 0.00 N ATOM 0 H LYS A 47 9.033 -0.710 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 47 8.285 -0.625 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.576 0.085 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.062 -0.528 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.961 1.277 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.910 2.056 -4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.988 1.462 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.864 1.068 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.226 3.283 -7.273 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.864 3.473 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.645 4.997 -5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.411 3.894 -4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.731 3.711 -5.417 1.00 0.00 H new ATOM 798 N LEU A 48 10.227 -3.088 -3.848 1.00 0.00 N ATOM 799 CA LEU A 48 10.709 -4.425 -4.177 1.00 0.00 C ATOM 800 C LEU A 48 9.553 -5.371 -4.493 1.00 0.00 C ATOM 801 O LEU A 48 9.692 -6.281 -5.310 1.00 0.00 O ATOM 802 CB LEU A 48 11.539 -4.986 -3.020 1.00 0.00 C ATOM 803 CG LEU A 48 12.651 -4.064 -2.517 1.00 0.00 C ATOM 804 CD1 LEU A 48 12.732 -4.103 -0.998 1.00 0.00 C ATOM 805 CD2 LEU A 48 13.987 -4.453 -3.136 1.00 0.00 C ATOM 0 H LEU A 48 10.523 -2.747 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 48 11.335 -4.345 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.871 -5.212 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 48 11.985 -5.929 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 48 12.416 -3.044 -2.821 1.00 0.00 H new ATOM 0 HD11 LEU A 48 13.529 -3.441 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.783 -3.775 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.943 -5.121 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.767 -3.787 -2.767 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.229 -5.480 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.923 -4.371 -4.221 1.00 0.00 H new ATOM 817 N VAL A 49 8.416 -5.156 -3.839 1.00 0.00 N ATOM 818 CA VAL A 49 7.244 -5.998 -4.053 1.00 0.00 C ATOM 819 C VAL A 49 6.363 -5.449 -5.172 1.00 0.00 C ATOM 820 O VAL A 49 5.913 -6.194 -6.044 1.00 0.00 O ATOM 821 CB VAL A 49 6.420 -6.152 -2.752 1.00 0.00 C ATOM 822 CG1 VAL A 49 5.400 -5.034 -2.589 1.00 0.00 C ATOM 823 CG2 VAL A 49 5.742 -7.512 -2.707 1.00 0.00 C ATOM 0 H VAL A 49 8.281 -4.408 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 49 7.604 -6.982 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 49 7.114 -6.080 -1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.844 -5.181 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.915 -4.074 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.710 -5.045 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.167 -7.602 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.074 -7.614 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.498 -8.297 -2.741 1.00 0.00 H new ATOM 833 N ILE A 50 6.122 -4.144 -5.141 1.00 0.00 N ATOM 834 CA ILE A 50 5.293 -3.493 -6.154 1.00 0.00 C ATOM 835 C ILE A 50 6.126 -3.044 -7.358 1.00 0.00 C ATOM 836 O ILE A 50 5.663 -2.251 -8.179 1.00 0.00 O ATOM 837 CB ILE A 50 4.544 -2.271 -5.579 1.00 0.00 C ATOM 838 CG1 ILE A 50 3.832 -2.645 -4.278 1.00 0.00 C ATOM 839 CG2 ILE A 50 3.547 -1.734 -6.596 1.00 0.00 C ATOM 840 CD1 ILE A 50 3.075 -1.494 -3.650 1.00 0.00 C ATOM 0 H ILE A 50 6.487 -3.514 -4.427 1.00 0.00 H new ATOM 0 HA ILE A 50 4.565 -4.236 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 50 5.272 -1.489 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.137 -3.461 -4.475 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.567 -3.018 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.027 -0.873 -6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.076 -1.433 -7.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.823 -2.511 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.595 -1.832 -2.731 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.768 -0.685 -3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.316 -1.135 -4.345 1.00 0.00 H new ATOM 852 N ASN A 51 7.352 -3.551 -7.466 1.00 0.00 N ATOM 853 CA ASN A 51 8.231 -3.193 -8.576 1.00 0.00 C ATOM 854 C ASN A 51 7.586 -3.546 -9.912 1.00 0.00 C ATOM 855 O ASN A 51 7.713 -2.808 -10.890 1.00 0.00 O ATOM 856 CB ASN A 51 9.577 -3.909 -8.444 1.00 0.00 C ATOM 857 CG ASN A 51 9.422 -5.379 -8.113 1.00 0.00 C ATOM 858 OD1 ASN A 51 8.308 -5.899 -8.042 1.00 0.00 O ATOM 859 ND2 ASN A 51 10.544 -6.062 -7.907 1.00 0.00 N ATOM 0 H ASN A 51 7.758 -4.209 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 51 8.397 -2.116 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.132 -3.806 -9.376 1.00 0.00 H new ATOM 0 HB3 ASN A 51 10.168 -3.425 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.502 -7.056 -7.680 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.447 -5.592 -7.976 1.00 0.00 H new ATOM 866 N GLU A 52 6.890 -4.678 -9.944 1.00 0.00 N ATOM 867 CA GLU A 52 6.219 -5.134 -11.151 1.00 0.00 C ATOM 868 C GLU A 52 5.253 -4.071 -11.670 1.00 0.00 C ATOM 869 O GLU A 52 4.274 -3.735 -11.007 1.00 0.00 O ATOM 870 CB GLU A 52 5.462 -6.436 -10.875 1.00 0.00 C ATOM 871 CG GLU A 52 6.261 -7.685 -11.212 1.00 0.00 C ATOM 872 CD GLU A 52 6.009 -8.175 -12.625 1.00 0.00 C ATOM 873 OE1 GLU A 52 4.904 -7.922 -13.153 1.00 0.00 O ATOM 874 OE2 GLU A 52 6.915 -8.810 -13.204 1.00 0.00 O ATOM 0 H GLU A 52 6.777 -5.298 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 52 6.976 -5.315 -11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.181 -6.467 -9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.537 -6.439 -11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.324 -7.477 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.007 -8.476 -10.506 1.00 0.00 H new ATOM 881 N PRO A 53 5.522 -3.525 -12.867 1.00 0.00 N ATOM 882 CA PRO A 53 4.677 -2.495 -13.479 1.00 0.00 C ATOM 883 C PRO A 53 3.187 -2.793 -13.332 1.00 0.00 C ATOM 884 O PRO A 53 2.367 -1.878 -13.260 1.00 0.00 O ATOM 885 CB PRO A 53 5.093 -2.545 -14.947 1.00 0.00 C ATOM 886 CG PRO A 53 6.520 -2.973 -14.921 1.00 0.00 C ATOM 887 CD PRO A 53 6.678 -3.867 -13.715 1.00 0.00 C ATOM 0 HA PRO A 53 4.810 -1.520 -13.010 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.479 -3.248 -15.509 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.980 -1.571 -15.424 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.782 -3.505 -15.835 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.183 -2.110 -14.854 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.671 -4.920 -13.995 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.620 -3.681 -13.200 1.00 0.00 H new ATOM 895 N SER A 54 2.844 -4.075 -13.286 1.00 0.00 N ATOM 896 CA SER A 54 1.452 -4.489 -13.145 1.00 0.00 C ATOM 897 C SER A 54 0.908 -4.113 -11.770 1.00 0.00 C ATOM 898 O SER A 54 -0.281 -3.839 -11.614 1.00 0.00 O ATOM 899 CB SER A 54 1.324 -5.999 -13.363 1.00 0.00 C ATOM 900 OG SER A 54 2.466 -6.683 -12.879 1.00 0.00 O ATOM 0 H SER A 54 3.510 -4.846 -13.344 1.00 0.00 H new ATOM 0 HA SER A 54 0.865 -3.968 -13.901 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.433 -6.368 -12.856 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.195 -6.207 -14.425 1.00 0.00 H new ATOM 0 HG SER A 54 3.093 -6.835 -13.617 1.00 0.00 H new ATOM 906 N ARG A 55 1.789 -4.107 -10.775 1.00 0.00 N ATOM 907 CA ARG A 55 1.404 -3.768 -9.408 1.00 0.00 C ATOM 908 C ARG A 55 1.513 -2.264 -9.151 1.00 0.00 C ATOM 909 O ARG A 55 1.223 -1.796 -8.051 1.00 0.00 O ATOM 910 CB ARG A 55 2.285 -4.523 -8.410 1.00 0.00 C ATOM 911 CG ARG A 55 2.364 -6.018 -8.669 1.00 0.00 C ATOM 912 CD ARG A 55 3.298 -6.704 -7.684 1.00 0.00 C ATOM 913 NE ARG A 55 2.713 -7.927 -7.139 1.00 0.00 N ATOM 914 CZ ARG A 55 2.438 -9.007 -7.868 1.00 0.00 C ATOM 915 NH1 ARG A 55 2.693 -9.018 -9.171 1.00 0.00 N ATOM 916 NH2 ARG A 55 1.906 -10.077 -7.295 1.00 0.00 N ATOM 0 H ARG A 55 2.777 -4.334 -10.889 1.00 0.00 H new ATOM 0 HA ARG A 55 0.363 -4.063 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.291 -4.105 -8.440 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.901 -4.358 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.368 -6.455 -8.593 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.713 -6.194 -9.687 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.239 -6.942 -8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.532 -6.019 -6.869 1.00 0.00 H new ATOM 0 HE ARG A 55 2.503 -7.955 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.101 -8.197 -9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.481 -9.848 -9.725 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.707 -10.074 -6.295 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.696 -10.904 -7.854 1.00 0.00 H new ATOM 930 N LEU A 56 1.940 -1.511 -10.163 1.00 0.00 N ATOM 931 CA LEU A 56 2.090 -0.066 -10.026 1.00 0.00 C ATOM 932 C LEU A 56 0.785 0.589 -9.570 1.00 0.00 C ATOM 933 O LEU A 56 0.779 1.383 -8.628 1.00 0.00 O ATOM 934 CB LEU A 56 2.558 0.551 -11.346 1.00 0.00 C ATOM 935 CG LEU A 56 4.071 0.528 -11.568 1.00 0.00 C ATOM 936 CD1 LEU A 56 4.408 0.939 -12.992 1.00 0.00 C ATOM 937 CD2 LEU A 56 4.769 1.438 -10.568 1.00 0.00 C ATOM 0 H LEU A 56 2.187 -1.877 -11.083 1.00 0.00 H new ATOM 0 HA LEU A 56 2.845 0.119 -9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.077 0.021 -12.168 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.215 1.585 -11.389 1.00 0.00 H new ATOM 0 HG LEU A 56 4.427 -0.490 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.489 0.917 -13.131 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.938 0.248 -13.691 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.039 1.948 -13.176 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.845 1.410 -10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.408 2.459 -10.692 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.554 1.098 -9.555 1.00 0.00 H new ATOM 949 N PRO A 57 -0.345 0.268 -10.227 1.00 0.00 N ATOM 950 CA PRO A 57 -1.650 0.838 -9.871 1.00 0.00 C ATOM 951 C PRO A 57 -1.967 0.680 -8.386 1.00 0.00 C ATOM 952 O PRO A 57 -2.762 1.436 -7.827 1.00 0.00 O ATOM 953 CB PRO A 57 -2.637 0.028 -10.714 1.00 0.00 C ATOM 954 CG PRO A 57 -1.841 -0.453 -11.875 1.00 0.00 C ATOM 955 CD PRO A 57 -0.444 -0.669 -11.362 1.00 0.00 C ATOM 0 HA PRO A 57 -1.688 1.911 -10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.051 -0.805 -10.146 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.477 0.642 -11.038 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.256 -1.378 -12.276 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.851 0.278 -12.684 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.288 -1.700 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.302 -0.453 -12.127 1.00 0.00 H new ATOM 963 N LEU A 58 -1.345 -0.310 -7.753 1.00 0.00 N ATOM 964 CA LEU A 58 -1.565 -0.569 -6.334 1.00 0.00 C ATOM 965 C LEU A 58 -1.202 0.649 -5.489 1.00 0.00 C ATOM 966 O LEU A 58 -1.897 0.976 -4.527 1.00 0.00 O ATOM 967 CB LEU A 58 -0.747 -1.780 -5.883 1.00 0.00 C ATOM 968 CG LEU A 58 -1.417 -2.657 -4.822 1.00 0.00 C ATOM 969 CD1 LEU A 58 -0.583 -3.901 -4.556 1.00 0.00 C ATOM 970 CD2 LEU A 58 -1.630 -1.870 -3.538 1.00 0.00 C ATOM 0 H LEU A 58 -0.685 -0.946 -8.200 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.625 -0.780 -6.192 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.527 -2.396 -6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.208 -1.429 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.391 -2.971 -5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.074 -4.513 -3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.482 -4.475 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.405 -3.608 -4.201 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.107 -2.509 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.668 -1.527 -3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.268 -1.010 -3.740 1.00 0.00 H new ATOM 982 N PHE A 59 -0.108 1.315 -5.851 1.00 0.00 N ATOM 983 CA PHE A 59 0.352 2.494 -5.120 1.00 0.00 C ATOM 984 C PHE A 59 -0.781 3.498 -4.920 1.00 0.00 C ATOM 985 O PHE A 59 -0.861 4.162 -3.885 1.00 0.00 O ATOM 986 CB PHE A 59 1.508 3.160 -5.869 1.00 0.00 C ATOM 987 CG PHE A 59 2.810 2.422 -5.744 1.00 0.00 C ATOM 988 CD1 PHE A 59 3.341 2.130 -4.498 1.00 0.00 C ATOM 989 CD2 PHE A 59 3.503 2.019 -6.874 1.00 0.00 C ATOM 990 CE1 PHE A 59 4.538 1.450 -4.381 1.00 0.00 C ATOM 991 CE2 PHE A 59 4.701 1.339 -6.764 1.00 0.00 C ATOM 992 CZ PHE A 59 5.219 1.055 -5.516 1.00 0.00 C ATOM 0 H PHE A 59 0.477 1.059 -6.646 1.00 0.00 H new ATOM 0 HA PHE A 59 0.696 2.167 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.247 3.243 -6.924 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.637 4.175 -5.492 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.813 2.438 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.102 2.239 -7.852 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.941 1.228 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.231 1.030 -7.653 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.156 0.525 -5.427 1.00 0.00 H new ATOM 1002 N ASP A 60 -1.657 3.601 -5.915 1.00 0.00 N ATOM 1003 CA ASP A 60 -2.785 4.524 -5.843 1.00 0.00 C ATOM 1004 C ASP A 60 -3.594 4.293 -4.572 1.00 0.00 C ATOM 1005 O ASP A 60 -3.946 5.238 -3.872 1.00 0.00 O ATOM 1006 CB ASP A 60 -3.680 4.366 -7.076 1.00 0.00 C ATOM 1007 CG ASP A 60 -3.811 5.655 -7.864 1.00 0.00 C ATOM 1008 OD1 ASP A 60 -2.793 6.119 -8.419 1.00 0.00 O ATOM 1009 OD2 ASP A 60 -4.933 6.201 -7.927 1.00 0.00 O ATOM 0 H ASP A 60 -1.608 3.059 -6.778 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.393 5.541 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.271 3.589 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.669 4.032 -6.763 1.00 0.00 H new ATOM 1014 N ALA A 61 -3.881 3.029 -4.285 1.00 0.00 N ATOM 1015 CA ALA A 61 -4.643 2.662 -3.096 1.00 0.00 C ATOM 1016 C ALA A 61 -3.820 2.849 -1.824 1.00 0.00 C ATOM 1017 O ALA A 61 -4.372 3.046 -0.742 1.00 0.00 O ATOM 1018 CB ALA A 61 -5.125 1.223 -3.205 1.00 0.00 C ATOM 0 H ALA A 61 -3.596 2.237 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.506 3.325 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.692 0.961 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.762 1.118 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.267 0.558 -3.298 1.00 0.00 H new ATOM 1024 N ILE A 62 -2.498 2.783 -1.958 1.00 0.00 N ATOM 1025 CA ILE A 62 -1.607 2.943 -0.812 1.00 0.00 C ATOM 1026 C ILE A 62 -1.646 4.369 -0.273 1.00 0.00 C ATOM 1027 O ILE A 62 -1.549 4.587 0.934 1.00 0.00 O ATOM 1028 CB ILE A 62 -0.152 2.580 -1.171 1.00 0.00 C ATOM 1029 CG1 ILE A 62 -0.095 1.212 -1.851 1.00 0.00 C ATOM 1030 CG2 ILE A 62 0.720 2.592 0.077 1.00 0.00 C ATOM 1031 CD1 ILE A 62 -0.709 0.100 -1.030 1.00 0.00 C ATOM 0 H ILE A 62 -2.021 2.620 -2.845 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.964 2.259 -0.042 1.00 0.00 H new ATOM 0 HB ILE A 62 0.230 3.326 -1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.610 1.271 -2.810 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.945 0.964 -2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.744 2.334 -0.192 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.702 3.586 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.339 1.865 0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.632 -0.840 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.179 0.013 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.759 0.325 -0.840 1.00 0.00 H new ATOM 1043 N ARG A 63 -1.784 5.339 -1.172 1.00 0.00 N ATOM 1044 CA ARG A 63 -1.829 6.745 -0.776 1.00 0.00 C ATOM 1045 C ARG A 63 -2.962 6.999 0.221 1.00 0.00 C ATOM 1046 O ARG A 63 -2.719 7.441 1.344 1.00 0.00 O ATOM 1047 CB ARG A 63 -1.999 7.637 -2.007 1.00 0.00 C ATOM 1048 CG ARG A 63 -0.692 8.228 -2.516 1.00 0.00 C ATOM 1049 CD ARG A 63 -0.904 9.597 -3.141 1.00 0.00 C ATOM 1050 NE ARG A 63 -1.415 9.503 -4.506 1.00 0.00 N ATOM 1051 CZ ARG A 63 -1.336 10.488 -5.397 1.00 0.00 C ATOM 1052 NH1 ARG A 63 -0.770 11.644 -5.072 1.00 0.00 N ATOM 1053 NH2 ARG A 63 -1.825 10.319 -6.618 1.00 0.00 N ATOM 0 H ARG A 63 -1.866 5.180 -2.176 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.885 6.990 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.461 7.056 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.685 8.449 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.017 8.309 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.250 7.556 -3.252 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.603 10.170 -2.531 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.039 10.144 -3.144 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.859 8.631 -4.793 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.392 11.781 -4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.713 12.395 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.262 9.434 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.764 11.074 -7.301 1.00 0.00 H new ATOM 1067 N PRO A 64 -4.217 6.718 -0.178 1.00 0.00 N ATOM 1068 CA PRO A 64 -5.391 6.910 0.679 1.00 0.00 C ATOM 1069 C PRO A 64 -5.141 6.503 2.129 1.00 0.00 C ATOM 1070 O PRO A 64 -5.390 7.277 3.053 1.00 0.00 O ATOM 1071 CB PRO A 64 -6.422 5.987 0.032 1.00 0.00 C ATOM 1072 CG PRO A 64 -6.087 6.022 -1.416 1.00 0.00 C ATOM 1073 CD PRO A 64 -4.592 6.187 -1.500 1.00 0.00 C ATOM 0 HA PRO A 64 -5.693 7.955 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.356 4.975 0.431 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.438 6.336 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.405 5.105 -1.911 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.598 6.846 -1.913 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.097 5.238 -1.704 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.310 6.872 -2.300 1.00 0.00 H new ATOM 1081 N LEU A 65 -4.635 5.289 2.320 1.00 0.00 N ATOM 1082 CA LEU A 65 -4.338 4.790 3.658 1.00 0.00 C ATOM 1083 C LEU A 65 -3.208 5.601 4.269 1.00 0.00 C ATOM 1084 O LEU A 65 -3.202 5.891 5.465 1.00 0.00 O ATOM 1085 CB LEU A 65 -3.952 3.309 3.602 1.00 0.00 C ATOM 1086 CG LEU A 65 -4.895 2.425 2.783 1.00 0.00 C ATOM 1087 CD1 LEU A 65 -4.114 1.345 2.051 1.00 0.00 C ATOM 1088 CD2 LEU A 65 -5.955 1.804 3.680 1.00 0.00 C ATOM 0 H LEU A 65 -4.422 4.634 1.567 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.229 4.892 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.948 3.226 3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.908 2.922 4.620 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.394 3.048 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.802 0.726 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.393 1.810 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.587 0.723 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.617 1.178 3.081 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.473 1.195 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.535 2.593 4.158 1.00 0.00 H new ATOM 1100 N ILE A 66 -2.258 5.965 3.422 1.00 0.00 N ATOM 1101 CA ILE A 66 -1.107 6.748 3.834 1.00 0.00 C ATOM 1102 C ILE A 66 -1.537 8.159 4.246 1.00 0.00 C ATOM 1103 O ILE A 66 -2.402 8.761 3.608 1.00 0.00 O ATOM 1104 CB ILE A 66 -0.073 6.813 2.686 1.00 0.00 C ATOM 1105 CG1 ILE A 66 0.886 5.625 2.768 1.00 0.00 C ATOM 1106 CG2 ILE A 66 0.702 8.119 2.705 1.00 0.00 C ATOM 1107 CD1 ILE A 66 1.544 5.286 1.449 1.00 0.00 C ATOM 0 H ILE A 66 -2.264 5.725 2.431 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.646 6.265 4.696 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.619 6.765 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.659 5.843 3.505 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.340 4.752 3.127 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.419 8.129 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.011 8.954 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.233 8.213 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.210 4.434 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.779 5.036 0.714 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.118 6.144 1.098 1.00 0.00 H new ATOM 1119 N PRO A 67 -0.941 8.706 5.322 1.00 0.00 N ATOM 1120 CA PRO A 67 -1.273 10.047 5.814 1.00 0.00 C ATOM 1121 C PRO A 67 -1.317 11.090 4.700 1.00 0.00 C ATOM 1122 O PRO A 67 -0.697 10.920 3.651 1.00 0.00 O ATOM 1123 CB PRO A 67 -0.138 10.352 6.789 1.00 0.00 C ATOM 1124 CG PRO A 67 0.292 9.018 7.291 1.00 0.00 C ATOM 1125 CD PRO A 67 0.097 8.058 6.148 1.00 0.00 C ATOM 0 HA PRO A 67 -2.265 10.080 6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.682 10.872 6.294 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.476 10.992 7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.334 9.039 7.609 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.299 8.718 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.020 7.909 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.224 7.077 6.499 1.00 0.00 H new ATOM 1133 N LEU A 68 -2.060 12.167 4.940 1.00 0.00 N ATOM 1134 CA LEU A 68 -2.200 13.246 3.957 1.00 0.00 C ATOM 1135 C LEU A 68 -0.837 13.777 3.515 1.00 0.00 C ATOM 1136 O LEU A 68 -0.597 13.978 2.325 1.00 0.00 O ATOM 1137 CB LEU A 68 -3.053 14.407 4.501 1.00 0.00 C ATOM 1138 CG LEU A 68 -3.507 14.295 5.961 1.00 0.00 C ATOM 1139 CD1 LEU A 68 -2.323 14.444 6.905 1.00 0.00 C ATOM 1140 CD2 LEU A 68 -4.565 15.343 6.266 1.00 0.00 C ATOM 0 H LEU A 68 -2.576 12.319 5.806 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.709 12.817 3.094 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.484 15.330 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.940 14.502 3.874 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.941 13.307 6.112 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.667 14.361 7.936 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.594 13.659 6.702 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.858 15.418 6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.878 15.252 7.306 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.151 16.337 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.425 15.192 5.614 1.00 0.00 H new ATOM 1152 N LYS A 69 0.050 14.008 4.477 1.00 0.00 N ATOM 1153 CA LYS A 69 1.384 14.519 4.176 1.00 0.00 C ATOM 1154 C LYS A 69 2.291 13.398 3.687 1.00 0.00 C ATOM 1155 O LYS A 69 3.159 13.607 2.838 1.00 0.00 O ATOM 1156 CB LYS A 69 2.003 15.177 5.411 1.00 0.00 C ATOM 1157 CG LYS A 69 1.033 16.038 6.205 1.00 0.00 C ATOM 1158 CD LYS A 69 1.508 16.231 7.637 1.00 0.00 C ATOM 1159 CE LYS A 69 1.046 17.565 8.203 1.00 0.00 C ATOM 1160 NZ LYS A 69 0.931 17.528 9.687 1.00 0.00 N ATOM 0 H LYS A 69 -0.129 13.850 5.469 1.00 0.00 H new ATOM 0 HA LYS A 69 1.286 15.266 3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.400 14.400 6.063 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.846 15.792 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.926 17.009 5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.048 15.572 6.206 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.130 15.420 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.596 16.178 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.749 18.346 7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.081 17.828 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.614 18.456 10.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.241 16.800 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.858 17.302 10.101 1.00 0.00 H new ATOM 1174 N HIS A 70 2.087 12.208 4.238 1.00 0.00 N ATOM 1175 CA HIS A 70 2.887 11.048 3.873 1.00 0.00 C ATOM 1176 C HIS A 70 2.614 10.615 2.435 1.00 0.00 C ATOM 1177 O HIS A 70 3.515 10.139 1.745 1.00 0.00 O ATOM 1178 CB HIS A 70 2.612 9.897 4.838 1.00 0.00 C ATOM 1179 CG HIS A 70 3.112 10.159 6.225 1.00 0.00 C ATOM 1180 ND1 HIS A 70 3.856 9.247 6.943 1.00 0.00 N ATOM 1181 CD2 HIS A 70 2.975 11.243 7.027 1.00 0.00 C ATOM 1182 CE1 HIS A 70 4.155 9.758 8.125 1.00 0.00 C ATOM 1183 NE2 HIS A 70 3.632 10.968 8.200 1.00 0.00 N ATOM 0 H HIS A 70 1.372 12.022 4.941 1.00 0.00 H new ATOM 0 HA HIS A 70 3.939 11.326 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.539 9.710 4.875 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.080 8.990 4.455 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.447 12.154 6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 70 4.729 9.269 8.898 1.00 0.00 H new ATOM 0 HE2 HIS A 70 3.705 11.596 9.000 1.00 0.00 H new ATOM 1192 N GLN A 71 1.376 10.787 1.981 1.00 0.00 N ATOM 1193 CA GLN A 71 1.015 10.415 0.618 1.00 0.00 C ATOM 1194 C GLN A 71 1.721 11.321 -0.383 1.00 0.00 C ATOM 1195 O GLN A 71 2.142 10.877 -1.453 1.00 0.00 O ATOM 1196 CB GLN A 71 -0.503 10.482 0.416 1.00 0.00 C ATOM 1197 CG GLN A 71 -1.104 11.847 0.710 1.00 0.00 C ATOM 1198 CD GLN A 71 -2.418 12.072 -0.013 1.00 0.00 C ATOM 1199 OE1 GLN A 71 -2.736 11.376 -0.977 1.00 0.00 O ATOM 1200 NE2 GLN A 71 -3.189 13.049 0.451 1.00 0.00 N ATOM 0 H GLN A 71 0.612 11.178 2.532 1.00 0.00 H new ATOM 0 HA GLN A 71 1.336 9.387 0.450 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.735 10.208 -0.613 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.978 9.741 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.262 11.947 1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.396 12.623 0.419 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.885 13.601 1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.085 13.247 0.005 1.00 0.00 H new ATOM 1209 N VAL A 72 1.860 12.592 -0.020 1.00 0.00 N ATOM 1210 CA VAL A 72 2.527 13.562 -0.877 1.00 0.00 C ATOM 1211 C VAL A 72 4.001 13.210 -1.036 1.00 0.00 C ATOM 1212 O VAL A 72 4.511 13.115 -2.152 1.00 0.00 O ATOM 1213 CB VAL A 72 2.407 14.992 -0.315 1.00 0.00 C ATOM 1214 CG1 VAL A 72 2.991 16.002 -1.291 1.00 0.00 C ATOM 1215 CG2 VAL A 72 0.956 15.323 -0.001 1.00 0.00 C ATOM 0 H VAL A 72 1.519 12.973 0.863 1.00 0.00 H new ATOM 0 HA VAL A 72 2.033 13.527 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 72 2.978 15.046 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.897 17.005 -0.876 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.044 15.777 -1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.451 15.948 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.891 16.337 0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.361 15.250 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.574 14.620 0.739 1.00 0.00 H new ATOM 1225 N GLU A 73 4.679 13.010 0.090 1.00 0.00 N ATOM 1226 CA GLU A 73 6.094 12.658 0.072 1.00 0.00 C ATOM 1227 C GLU A 73 6.285 11.262 -0.500 1.00 0.00 C ATOM 1228 O GLU A 73 7.235 11.013 -1.243 1.00 0.00 O ATOM 1229 CB GLU A 73 6.685 12.738 1.482 1.00 0.00 C ATOM 1230 CG GLU A 73 8.167 13.071 1.503 1.00 0.00 C ATOM 1231 CD GLU A 73 8.435 14.513 1.885 1.00 0.00 C ATOM 1232 OE1 GLU A 73 8.172 14.877 3.051 1.00 0.00 O ATOM 1233 OE2 GLU A 73 8.907 15.279 1.020 1.00 0.00 O ATOM 0 H GLU A 73 4.273 13.085 1.023 1.00 0.00 H new ATOM 0 HA GLU A 73 6.618 13.371 -0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.143 13.493 2.051 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.528 11.785 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.674 12.412 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.594 12.874 0.520 1.00 0.00 H new ATOM 1240 N TYR A 74 5.372 10.356 -0.167 1.00 0.00 N ATOM 1241 CA TYR A 74 5.440 8.991 -0.671 1.00 0.00 C ATOM 1242 C TYR A 74 5.520 9.010 -2.190 1.00 0.00 C ATOM 1243 O TYR A 74 6.275 8.252 -2.799 1.00 0.00 O ATOM 1244 CB TYR A 74 4.222 8.186 -0.215 1.00 0.00 C ATOM 1245 CG TYR A 74 4.243 6.744 -0.667 1.00 0.00 C ATOM 1246 CD1 TYR A 74 5.227 5.871 -0.217 1.00 0.00 C ATOM 1247 CD2 TYR A 74 3.282 6.254 -1.541 1.00 0.00 C ATOM 1248 CE1 TYR A 74 5.251 4.552 -0.628 1.00 0.00 C ATOM 1249 CE2 TYR A 74 3.299 4.937 -1.956 1.00 0.00 C ATOM 1250 CZ TYR A 74 4.286 4.090 -1.496 1.00 0.00 C ATOM 1251 OH TYR A 74 4.306 2.776 -1.906 1.00 0.00 O ATOM 0 H TYR A 74 4.579 10.542 0.447 1.00 0.00 H new ATOM 0 HA TYR A 74 6.334 8.512 -0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.165 8.216 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.319 8.664 -0.595 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.984 6.229 0.464 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.508 6.914 -1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.023 3.886 -0.270 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.544 4.572 -2.637 1.00 0.00 H new ATOM 0 HH TYR A 74 4.369 2.739 -2.883 1.00 0.00 H new ATOM 1261 N ASP A 75 4.745 9.906 -2.792 1.00 0.00 N ATOM 1262 CA ASP A 75 4.733 10.056 -4.239 1.00 0.00 C ATOM 1263 C ASP A 75 6.020 10.724 -4.711 1.00 0.00 C ATOM 1264 O ASP A 75 6.537 10.409 -5.782 1.00 0.00 O ATOM 1265 CB ASP A 75 3.521 10.881 -4.681 1.00 0.00 C ATOM 1266 CG ASP A 75 3.415 10.989 -6.189 1.00 0.00 C ATOM 1267 OD1 ASP A 75 4.382 11.463 -6.821 1.00 0.00 O ATOM 1268 OD2 ASP A 75 2.363 10.599 -6.739 1.00 0.00 O ATOM 0 H ASP A 75 4.117 10.539 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 75 4.664 9.065 -4.689 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.612 10.426 -4.287 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.589 11.881 -4.252 1.00 0.00 H new ATOM 1273 N GLN A 76 6.536 11.646 -3.899 1.00 0.00 N ATOM 1274 CA GLN A 76 7.767 12.351 -4.234 1.00 0.00 C ATOM 1275 C GLN A 76 8.949 11.388 -4.253 1.00 0.00 C ATOM 1276 O GLN A 76 9.893 11.563 -5.025 1.00 0.00 O ATOM 1277 CB GLN A 76 8.025 13.477 -3.233 1.00 0.00 C ATOM 1278 CG GLN A 76 7.381 14.797 -3.623 1.00 0.00 C ATOM 1279 CD GLN A 76 8.400 15.850 -4.017 1.00 0.00 C ATOM 1280 OE1 GLN A 76 9.571 15.546 -4.238 1.00 0.00 O ATOM 1281 NE2 GLN A 76 7.955 17.099 -4.106 1.00 0.00 N ATOM 0 H GLN A 76 6.121 11.920 -3.008 1.00 0.00 H new ATOM 0 HA GLN A 76 7.654 12.783 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.651 13.175 -2.255 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.100 13.623 -3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.696 14.631 -4.454 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.786 15.167 -2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.975 17.306 -3.914 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.594 17.851 -4.367 1.00 0.00 H new ATOM 1290 N LEU A 77 8.890 10.371 -3.399 1.00 0.00 N ATOM 1291 CA LEU A 77 9.955 9.378 -3.316 1.00 0.00 C ATOM 1292 C LEU A 77 9.825 8.354 -4.438 1.00 0.00 C ATOM 1293 O LEU A 77 10.825 7.860 -4.959 1.00 0.00 O ATOM 1294 CB LEU A 77 9.920 8.672 -1.959 1.00 0.00 C ATOM 1295 CG LEU A 77 10.174 9.576 -0.752 1.00 0.00 C ATOM 1296 CD1 LEU A 77 9.852 8.841 0.541 1.00 0.00 C ATOM 1297 CD2 LEU A 77 11.616 10.061 -0.746 1.00 0.00 C ATOM 0 H LEU A 77 8.115 10.213 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 77 10.910 9.893 -3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.947 8.196 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.665 7.877 -1.961 1.00 0.00 H new ATOM 0 HG LEU A 77 9.519 10.444 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.038 9.499 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.804 8.541 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.483 7.956 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.780 10.703 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 77 12.288 9.204 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.814 10.624 -1.658 1.00 0.00 H new ATOM 1309 N THR A 78 8.587 8.040 -4.806 1.00 0.00 N ATOM 1310 CA THR A 78 8.325 7.075 -5.867 1.00 0.00 C ATOM 1311 C THR A 78 8.322 7.759 -7.233 1.00 0.00 C ATOM 1312 O THR A 78 7.393 8.497 -7.563 1.00 0.00 O ATOM 1313 CB THR A 78 6.983 6.381 -5.632 1.00 0.00 C ATOM 1314 OG1 THR A 78 5.926 7.323 -5.617 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.927 5.609 -4.331 1.00 0.00 C ATOM 0 H THR A 78 7.749 8.440 -4.384 1.00 0.00 H new ATOM 0 HA THR A 78 9.120 6.330 -5.853 1.00 0.00 H new ATOM 0 HB THR A 78 6.874 5.678 -6.458 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.077 7.995 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.948 5.142 -4.227 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.698 4.839 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.094 6.290 -3.496 1.00 0.00 H new