USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 784 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 78 LYS NZ :NH3+ 175:sc= 0.917 (180deg=-0.0444) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.744 K(o=0.17,f=-11!) USER MOD Set 2.1: A 73 GLN : amide:sc= -0.272 X(o=-0.046,f=0) USER MOD Set 2.2: A 74 TYR OH : rot 65:sc= 0.226 USER MOD Set 3.1: A 62 GLN : amide:sc= 0.015 K(o=-0.73,f=-1.4) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.747 X(o=-0.73,f=-0.58) USER MOD Set 4.1: A 28 HIS : no HD1:sc= -0.236 K(o=-0.1,f=-9.5!) USER MOD Set 4.2: A 71 THR OG1 : rot 180:sc= 0.132 USER MOD Set 5.1: A 24 THR OG1 : rot 180:sc= 0.911 USER MOD Set 5.2: A 27 SER OG : rot 51:sc= 1.16 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0611 (180deg=-0.364) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -162:sc= 0.131 USER MOD Single : A 10 THR OG1 : rot -71:sc= -0.166 USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 16 CYS SG : rot 95:sc= 0.0795 USER MOD Single : A 22 THR OG1 : rot -8:sc= 0.619 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.0141 (180deg=-0.106) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -170:sc= 0.23 USER MOD Single : A 91 LYS NZ :NH3+ -132:sc= 0.613 (180deg=-0.963) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.0024) USER MOD Single : A 98 HIS : no HE2:sc= 0.0924 K(o=0.092,f=-1.1) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 100 HIS : no HD1:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.192 19.155 5.350 1.00 0.00 N ATOM 2 CA MET A 1 -0.048 19.435 4.590 1.00 0.00 C ATOM 3 C MET A 1 -1.048 18.292 4.783 1.00 0.00 C ATOM 4 O MET A 1 -2.158 18.504 5.286 1.00 0.00 O ATOM 5 CB MET A 1 0.263 19.632 3.083 1.00 0.00 C ATOM 6 CG MET A 1 -0.958 19.966 2.210 1.00 0.00 C ATOM 7 SD MET A 1 -0.552 20.138 0.456 1.00 0.00 S ATOM 8 CE MET A 1 0.002 18.482 0.019 1.00 0.00 C ATOM 0 H1 MET A 1 1.866 19.935 5.214 1.00 0.00 H new ATOM 0 H2 MET A 1 0.966 19.064 6.361 1.00 0.00 H new ATOM 0 H3 MET A 1 1.615 18.268 5.009 1.00 0.00 H new ATOM 0 HA MET A 1 -0.487 20.358 4.969 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.996 20.432 2.979 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.728 18.723 2.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.707 19.183 2.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.408 20.893 2.565 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.008 18.375 -1.066 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.009 18.321 0.405 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.675 17.746 0.453 1.00 0.00 H new ATOM 20 N THR A 2 -0.633 17.070 4.387 1.00 0.00 N ATOM 21 CA THR A 2 -1.488 15.874 4.413 1.00 0.00 C ATOM 22 C THR A 2 -0.656 14.645 4.816 1.00 0.00 C ATOM 23 O THR A 2 0.430 14.416 4.264 1.00 0.00 O ATOM 24 CB THR A 2 -2.165 15.633 3.022 1.00 0.00 C ATOM 25 OG1 THR A 2 -2.822 16.834 2.587 1.00 0.00 O ATOM 26 CG2 THR A 2 -3.192 14.488 3.075 1.00 0.00 C ATOM 0 H THR A 2 0.309 16.889 4.040 1.00 0.00 H new ATOM 0 HA THR A 2 -2.276 16.034 5.149 1.00 0.00 H new ATOM 0 HB THR A 2 -1.380 15.354 2.319 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.243 16.679 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.638 14.354 2.090 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.694 13.566 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.972 14.732 3.796 1.00 0.00 H new ATOM 34 N SER A 3 -1.173 13.872 5.786 1.00 0.00 N ATOM 35 CA SER A 3 -0.543 12.637 6.266 1.00 0.00 C ATOM 36 C SER A 3 -0.510 11.570 5.141 1.00 0.00 C ATOM 37 O SER A 3 -1.493 11.415 4.395 1.00 0.00 O ATOM 38 CB SER A 3 -1.305 12.124 7.512 1.00 0.00 C ATOM 39 OG SER A 3 -1.401 13.134 8.519 1.00 0.00 O ATOM 0 H SER A 3 -2.048 14.092 6.261 1.00 0.00 H new ATOM 0 HA SER A 3 0.489 12.841 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.305 11.802 7.221 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.794 11.251 7.918 1.00 0.00 H new ATOM 0 HG SER A 3 -1.889 12.780 9.292 1.00 0.00 H new ATOM 45 N THR A 4 0.640 10.865 5.016 1.00 0.00 N ATOM 46 CA THR A 4 0.856 9.871 3.946 1.00 0.00 C ATOM 47 C THR A 4 -0.181 8.727 4.018 1.00 0.00 C ATOM 48 O THR A 4 -0.546 8.164 2.987 1.00 0.00 O ATOM 49 CB THR A 4 2.299 9.269 3.984 1.00 0.00 C ATOM 50 OG1 THR A 4 3.262 10.327 4.156 1.00 0.00 O ATOM 51 CG2 THR A 4 2.625 8.477 2.692 1.00 0.00 C ATOM 0 H THR A 4 1.434 10.970 5.648 1.00 0.00 H new ATOM 0 HA THR A 4 0.731 10.406 3.004 1.00 0.00 H new ATOM 0 HB THR A 4 2.349 8.577 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.152 10.004 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.636 8.075 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.915 7.658 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.554 9.141 1.830 1.00 0.00 H new ATOM 59 N PHE A 5 -0.714 8.457 5.230 1.00 0.00 N ATOM 60 CA PHE A 5 -1.745 7.420 5.401 1.00 0.00 C ATOM 61 C PHE A 5 -3.048 7.856 4.726 1.00 0.00 C ATOM 62 O PHE A 5 -3.646 7.071 4.015 1.00 0.00 O ATOM 63 CB PHE A 5 -1.986 7.059 6.898 1.00 0.00 C ATOM 64 CG PHE A 5 -3.279 6.254 7.130 1.00 0.00 C ATOM 65 CD1 PHE A 5 -3.434 4.968 6.607 1.00 0.00 C ATOM 66 CD2 PHE A 5 -4.374 6.824 7.792 1.00 0.00 C ATOM 67 CE1 PHE A 5 -4.629 4.290 6.748 1.00 0.00 C ATOM 68 CE2 PHE A 5 -5.558 6.132 7.939 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.687 4.876 7.409 1.00 0.00 C ATOM 0 H PHE A 5 -0.450 8.937 6.090 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.379 6.514 4.918 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.137 6.484 7.267 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.028 7.977 7.484 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.611 4.499 6.087 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.290 7.823 8.194 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.735 3.296 6.339 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.383 6.581 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.621 4.343 7.509 1.00 0.00 H new ATOM 79 N ASP A 6 -3.461 9.110 4.959 1.00 0.00 N ATOM 80 CA ASP A 6 -4.702 9.681 4.382 1.00 0.00 C ATOM 81 C ASP A 6 -4.712 9.546 2.847 1.00 0.00 C ATOM 82 O ASP A 6 -5.741 9.210 2.252 1.00 0.00 O ATOM 83 CB ASP A 6 -4.852 11.168 4.783 1.00 0.00 C ATOM 84 CG ASP A 6 -6.111 11.838 4.191 1.00 0.00 C ATOM 85 OD1 ASP A 6 -7.220 11.630 4.733 1.00 0.00 O ATOM 86 OD2 ASP A 6 -6.006 12.565 3.173 1.00 0.00 O ATOM 0 H ASP A 6 -2.949 9.763 5.552 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.546 9.119 4.782 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.887 11.242 5.870 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.969 11.716 4.455 1.00 0.00 H new ATOM 91 N ARG A 7 -3.544 9.820 2.236 1.00 0.00 N ATOM 92 CA ARG A 7 -3.338 9.692 0.780 1.00 0.00 C ATOM 93 C ARG A 7 -3.560 8.243 0.304 1.00 0.00 C ATOM 94 O ARG A 7 -4.434 7.976 -0.529 1.00 0.00 O ATOM 95 CB ARG A 7 -1.910 10.178 0.415 1.00 0.00 C ATOM 96 CG ARG A 7 -1.623 11.665 0.732 1.00 0.00 C ATOM 97 CD ARG A 7 -2.515 12.651 -0.058 1.00 0.00 C ATOM 98 NE ARG A 7 -3.919 12.678 0.428 1.00 0.00 N ATOM 99 CZ ARG A 7 -5.004 12.905 -0.325 1.00 0.00 C ATOM 100 NH1 ARG A 7 -4.897 13.072 -1.640 1.00 0.00 N ATOM 101 NH2 ARG A 7 -6.200 12.946 0.239 1.00 0.00 N ATOM 0 H ARG A 7 -2.715 10.137 2.739 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.072 10.315 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.186 9.562 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.747 10.011 -0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.766 11.834 1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.577 11.879 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.092 13.653 0.014 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.506 12.376 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.070 12.509 1.422 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.981 13.028 -2.087 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.731 13.244 -2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.295 12.805 1.245 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -7.027 13.119 -0.332 1.00 0.00 H new ATOM 115 N VAL A 8 -2.782 7.327 0.887 1.00 0.00 N ATOM 116 CA VAL A 8 -2.810 5.884 0.566 1.00 0.00 C ATOM 117 C VAL A 8 -4.210 5.274 0.815 1.00 0.00 C ATOM 118 O VAL A 8 -4.681 4.449 0.043 1.00 0.00 O ATOM 119 CB VAL A 8 -1.728 5.123 1.423 1.00 0.00 C ATOM 120 CG1 VAL A 8 -1.776 3.591 1.217 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.311 5.676 1.123 1.00 0.00 C ATOM 0 H VAL A 8 -2.101 7.564 1.608 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.581 5.770 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.965 5.305 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.010 3.117 1.831 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.757 3.215 1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.595 3.359 0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.424 5.139 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.084 5.541 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.275 6.737 1.369 1.00 0.00 H new ATOM 131 N ALA A 9 -4.857 5.744 1.885 1.00 0.00 N ATOM 132 CA ALA A 9 -6.155 5.245 2.363 1.00 0.00 C ATOM 133 C ALA A 9 -7.270 5.595 1.367 1.00 0.00 C ATOM 134 O ALA A 9 -8.125 4.763 1.071 1.00 0.00 O ATOM 135 CB ALA A 9 -6.466 5.834 3.749 1.00 0.00 C ATOM 0 H ALA A 9 -4.486 6.501 2.459 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.103 4.159 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.429 5.459 4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.687 5.539 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.502 6.921 3.682 1.00 0.00 H new ATOM 141 N THR A 10 -7.235 6.840 0.857 1.00 0.00 N ATOM 142 CA THR A 10 -8.150 7.312 -0.199 1.00 0.00 C ATOM 143 C THR A 10 -7.973 6.497 -1.507 1.00 0.00 C ATOM 144 O THR A 10 -8.960 6.137 -2.164 1.00 0.00 O ATOM 145 CB THR A 10 -7.924 8.840 -0.467 1.00 0.00 C ATOM 146 OG1 THR A 10 -8.297 9.605 0.694 1.00 0.00 O ATOM 147 CG2 THR A 10 -8.706 9.364 -1.680 1.00 0.00 C ATOM 0 H THR A 10 -6.570 7.549 1.166 1.00 0.00 H new ATOM 0 HA THR A 10 -9.172 7.162 0.148 1.00 0.00 H new ATOM 0 HB THR A 10 -6.863 8.959 -0.685 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.272 9.593 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.506 10.427 -1.810 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.395 8.824 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.773 9.213 -1.518 1.00 0.00 H new ATOM 155 N ILE A 11 -6.707 6.200 -1.850 1.00 0.00 N ATOM 156 CA ILE A 11 -6.354 5.423 -3.058 1.00 0.00 C ATOM 157 C ILE A 11 -6.952 4.006 -2.984 1.00 0.00 C ATOM 158 O ILE A 11 -7.633 3.561 -3.906 1.00 0.00 O ATOM 159 CB ILE A 11 -4.787 5.358 -3.234 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.198 6.783 -3.477 1.00 0.00 C ATOM 161 CG2 ILE A 11 -4.348 4.368 -4.354 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.713 7.478 -4.719 1.00 0.00 C ATOM 0 H ILE A 11 -5.898 6.490 -1.300 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.776 5.926 -3.928 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.379 4.969 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.420 7.406 -2.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.113 6.706 -3.544 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.261 4.364 -4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.698 3.365 -4.111 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.778 4.681 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.249 8.460 -4.805 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.467 6.882 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.795 7.593 -4.650 1.00 0.00 H new ATOM 174 N ILE A 12 -6.711 3.325 -1.857 1.00 0.00 N ATOM 175 CA ILE A 12 -7.204 1.957 -1.605 1.00 0.00 C ATOM 176 C ILE A 12 -8.741 1.932 -1.515 1.00 0.00 C ATOM 177 O ILE A 12 -9.386 0.968 -1.959 1.00 0.00 O ATOM 178 CB ILE A 12 -6.555 1.380 -0.294 1.00 0.00 C ATOM 179 CG1 ILE A 12 -5.014 1.266 -0.494 1.00 0.00 C ATOM 180 CG2 ILE A 12 -7.175 0.025 0.144 1.00 0.00 C ATOM 181 CD1 ILE A 12 -4.249 0.718 0.682 1.00 0.00 C ATOM 0 H ILE A 12 -6.164 3.707 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.912 1.325 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.767 2.073 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.823 0.630 -1.358 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.621 2.255 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.686 -0.322 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.241 0.156 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.035 -0.712 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.187 0.680 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.401 1.363 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.605 -0.286 0.912 1.00 0.00 H new ATOM 193 N ALA A 13 -9.307 3.018 -0.961 1.00 0.00 N ATOM 194 CA ALA A 13 -10.762 3.204 -0.848 1.00 0.00 C ATOM 195 C ALA A 13 -11.431 3.157 -2.230 1.00 0.00 C ATOM 196 O ALA A 13 -12.373 2.402 -2.437 1.00 0.00 O ATOM 197 CB ALA A 13 -11.082 4.531 -0.136 1.00 0.00 C ATOM 0 H ALA A 13 -8.766 3.793 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.163 2.385 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.163 4.652 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.648 4.521 0.864 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.662 5.360 -0.706 1.00 0.00 H new ATOM 203 N GLU A 14 -10.909 3.937 -3.185 1.00 0.00 N ATOM 204 CA GLU A 14 -11.501 4.048 -4.526 1.00 0.00 C ATOM 205 C GLU A 14 -11.211 2.810 -5.394 1.00 0.00 C ATOM 206 O GLU A 14 -12.135 2.215 -5.962 1.00 0.00 O ATOM 207 CB GLU A 14 -10.998 5.331 -5.229 1.00 0.00 C ATOM 208 CG GLU A 14 -11.276 6.629 -4.446 1.00 0.00 C ATOM 209 CD GLU A 14 -12.738 6.768 -3.982 1.00 0.00 C ATOM 210 OE1 GLU A 14 -13.613 7.078 -4.824 1.00 0.00 O ATOM 211 OE2 GLU A 14 -13.022 6.580 -2.774 1.00 0.00 O ATOM 0 H GLU A 14 -10.072 4.505 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.582 4.107 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.924 5.243 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.469 5.403 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.622 6.665 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.020 7.483 -5.072 1.00 0.00 H new ATOM 218 N THR A 15 -9.927 2.422 -5.469 1.00 0.00 N ATOM 219 CA THR A 15 -9.452 1.353 -6.368 1.00 0.00 C ATOM 220 C THR A 15 -10.093 -0.002 -6.010 1.00 0.00 C ATOM 221 O THR A 15 -10.596 -0.718 -6.885 1.00 0.00 O ATOM 222 CB THR A 15 -7.893 1.244 -6.320 1.00 0.00 C ATOM 223 OG1 THR A 15 -7.318 2.556 -6.428 1.00 0.00 O ATOM 224 CG2 THR A 15 -7.329 0.372 -7.455 1.00 0.00 C ATOM 0 H THR A 15 -9.186 2.841 -4.907 1.00 0.00 H new ATOM 0 HA THR A 15 -9.753 1.614 -7.382 1.00 0.00 H new ATOM 0 HB THR A 15 -7.634 0.776 -5.370 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.294 2.977 -5.543 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.243 0.329 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.738 -0.635 -7.378 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.606 0.803 -8.417 1.00 0.00 H new ATOM 232 N CYS A 16 -10.088 -0.327 -4.705 1.00 0.00 N ATOM 233 CA CYS A 16 -10.653 -1.584 -4.186 1.00 0.00 C ATOM 234 C CYS A 16 -12.127 -1.414 -3.741 1.00 0.00 C ATOM 235 O CYS A 16 -12.709 -2.333 -3.149 1.00 0.00 O ATOM 236 CB CYS A 16 -9.770 -2.087 -3.019 1.00 0.00 C ATOM 237 SG CYS A 16 -10.180 -3.742 -2.448 1.00 0.00 S ATOM 0 H CYS A 16 -9.693 0.274 -3.982 1.00 0.00 H new ATOM 0 HA CYS A 16 -10.656 -2.325 -4.986 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -8.727 -2.071 -3.334 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -9.861 -1.393 -2.183 1.00 0.00 H new ATOM 0 HG CYS A 16 -9.416 -4.608 -3.044 1.00 0.00 H new ATOM 243 N ASP A 17 -12.720 -0.227 -4.032 1.00 0.00 N ATOM 244 CA ASP A 17 -14.152 0.101 -3.763 1.00 0.00 C ATOM 245 C ASP A 17 -14.522 0.011 -2.262 1.00 0.00 C ATOM 246 O ASP A 17 -15.703 -0.092 -1.904 1.00 0.00 O ATOM 247 CB ASP A 17 -15.109 -0.779 -4.617 1.00 0.00 C ATOM 248 CG ASP A 17 -14.863 -0.658 -6.133 1.00 0.00 C ATOM 249 OD1 ASP A 17 -15.054 0.447 -6.691 1.00 0.00 O ATOM 250 OD2 ASP A 17 -14.478 -1.664 -6.775 1.00 0.00 O ATOM 0 H ASP A 17 -12.212 0.543 -4.467 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.281 1.142 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.994 -1.821 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.140 -0.498 -4.400 1.00 0.00 H new ATOM 255 N ILE A 18 -13.503 0.099 -1.391 1.00 0.00 N ATOM 256 CA ILE A 18 -13.677 0.014 0.071 1.00 0.00 C ATOM 257 C ILE A 18 -14.232 1.354 0.613 1.00 0.00 C ATOM 258 O ILE A 18 -13.810 2.423 0.146 1.00 0.00 O ATOM 259 CB ILE A 18 -12.302 -0.312 0.786 1.00 0.00 C ATOM 260 CG1 ILE A 18 -11.707 -1.651 0.256 1.00 0.00 C ATOM 261 CG2 ILE A 18 -12.441 -0.349 2.336 1.00 0.00 C ATOM 262 CD1 ILE A 18 -10.354 -2.020 0.852 1.00 0.00 C ATOM 0 H ILE A 18 -12.534 0.231 -1.680 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.381 -0.790 0.284 1.00 0.00 H new ATOM 0 HB ILE A 18 -11.614 0.497 0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.413 -2.455 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.607 -1.586 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -11.473 -0.576 2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -12.787 0.621 2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -13.160 -1.118 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.015 -2.965 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.630 -1.238 0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.448 -2.121 1.933 1.00 0.00 H new ATOM 274 N PRO A 19 -15.212 1.322 1.571 1.00 0.00 N ATOM 275 CA PRO A 19 -15.600 2.525 2.339 1.00 0.00 C ATOM 276 C PRO A 19 -14.394 3.111 3.113 1.00 0.00 C ATOM 277 O PRO A 19 -13.781 2.420 3.928 1.00 0.00 O ATOM 278 CB PRO A 19 -16.701 2.002 3.309 1.00 0.00 C ATOM 279 CG PRO A 19 -17.224 0.755 2.662 1.00 0.00 C ATOM 280 CD PRO A 19 -16.041 0.138 1.954 1.00 0.00 C ATOM 0 HA PRO A 19 -15.953 3.337 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.290 1.792 4.297 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -17.492 2.739 3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -17.637 0.072 3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.025 0.984 1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.493 -0.543 2.605 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.350 -0.436 1.080 1.00 0.00 H new ATOM 288 N ARG A 20 -14.049 4.382 2.833 1.00 0.00 N ATOM 289 CA ARG A 20 -12.972 5.105 3.547 1.00 0.00 C ATOM 290 C ARG A 20 -13.280 5.184 5.065 1.00 0.00 C ATOM 291 O ARG A 20 -12.363 5.189 5.888 1.00 0.00 O ATOM 292 CB ARG A 20 -12.786 6.530 2.936 1.00 0.00 C ATOM 293 CG ARG A 20 -11.740 7.420 3.653 1.00 0.00 C ATOM 294 CD ARG A 20 -10.299 6.867 3.592 1.00 0.00 C ATOM 295 NE ARG A 20 -9.464 7.442 4.667 1.00 0.00 N ATOM 296 CZ ARG A 20 -8.618 8.480 4.553 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.410 9.086 3.387 1.00 0.00 N ATOM 298 NH2 ARG A 20 -7.968 8.914 5.620 1.00 0.00 N ATOM 0 H ARG A 20 -14.505 4.937 2.109 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.039 4.555 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.496 6.425 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.748 7.043 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.756 8.414 3.206 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.030 7.535 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.318 5.781 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.858 7.097 2.622 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.537 7.008 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.898 8.765 2.551 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.762 9.872 3.329 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.110 8.461 6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.325 9.701 5.540 1.00 0.00 H new ATOM 312 N GLU A 21 -14.588 5.198 5.401 1.00 0.00 N ATOM 313 CA GLU A 21 -15.086 5.253 6.795 1.00 0.00 C ATOM 314 C GLU A 21 -14.567 4.067 7.654 1.00 0.00 C ATOM 315 O GLU A 21 -14.313 4.230 8.853 1.00 0.00 O ATOM 316 CB GLU A 21 -16.640 5.287 6.798 1.00 0.00 C ATOM 317 CG GLU A 21 -17.303 4.026 6.209 1.00 0.00 C ATOM 318 CD GLU A 21 -18.837 4.055 6.228 1.00 0.00 C ATOM 319 OE1 GLU A 21 -19.424 4.048 7.336 1.00 0.00 O ATOM 320 OE2 GLU A 21 -19.464 4.089 5.147 1.00 0.00 O ATOM 0 H GLU A 21 -15.335 5.171 4.707 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.700 6.166 7.248 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -16.987 5.421 7.823 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -16.974 6.157 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.966 3.899 5.180 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.960 3.155 6.767 1.00 0.00 H new ATOM 327 N THR A 22 -14.395 2.887 7.023 1.00 0.00 N ATOM 328 CA THR A 22 -13.958 1.654 7.709 1.00 0.00 C ATOM 329 C THR A 22 -12.415 1.534 7.736 1.00 0.00 C ATOM 330 O THR A 22 -11.856 0.768 8.533 1.00 0.00 O ATOM 331 CB THR A 22 -14.577 0.398 7.010 1.00 0.00 C ATOM 332 OG1 THR A 22 -14.233 0.397 5.620 1.00 0.00 O ATOM 333 CG2 THR A 22 -16.108 0.345 7.129 1.00 0.00 C ATOM 0 H THR A 22 -14.555 2.763 6.023 1.00 0.00 H new ATOM 0 HA THR A 22 -14.310 1.706 8.739 1.00 0.00 H new ATOM 0 HB THR A 22 -14.167 -0.475 7.518 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.792 1.242 5.392 1.00 0.00 H new ATOM 0 HG21 THR A 22 -16.481 -0.547 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 22 -16.390 0.313 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 22 -16.540 1.231 6.664 1.00 0.00 H new ATOM 341 N ILE A 23 -11.743 2.288 6.850 1.00 0.00 N ATOM 342 CA ILE A 23 -10.279 2.252 6.693 1.00 0.00 C ATOM 343 C ILE A 23 -9.566 2.945 7.885 1.00 0.00 C ATOM 344 O ILE A 23 -9.652 4.171 8.053 1.00 0.00 O ATOM 345 CB ILE A 23 -9.845 2.903 5.322 1.00 0.00 C ATOM 346 CG1 ILE A 23 -10.264 1.980 4.133 1.00 0.00 C ATOM 347 CG2 ILE A 23 -8.335 3.225 5.289 1.00 0.00 C ATOM 348 CD1 ILE A 23 -9.865 2.478 2.754 1.00 0.00 C ATOM 0 H ILE A 23 -12.203 2.944 6.219 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.972 1.206 6.686 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.366 3.855 5.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.824 0.995 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.346 1.853 4.157 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.079 3.671 4.328 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.095 3.924 6.090 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.764 2.307 5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.201 1.767 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.326 3.448 2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.781 2.576 2.702 1.00 0.00 H new ATOM 360 N THR A 24 -8.875 2.131 8.704 1.00 0.00 N ATOM 361 CA THR A 24 -8.050 2.596 9.834 1.00 0.00 C ATOM 362 C THR A 24 -6.557 2.345 9.505 1.00 0.00 C ATOM 363 O THR A 24 -6.260 1.554 8.604 1.00 0.00 O ATOM 364 CB THR A 24 -8.447 1.843 11.158 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.126 0.450 11.059 1.00 0.00 O ATOM 366 CG2 THR A 24 -9.947 1.992 11.470 1.00 0.00 C ATOM 0 H THR A 24 -8.874 1.117 8.598 1.00 0.00 H new ATOM 0 HA THR A 24 -8.219 3.662 9.987 1.00 0.00 H new ATOM 0 HB THR A 24 -7.877 2.297 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.378 -0.004 11.891 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.182 1.459 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.191 3.048 11.590 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.532 1.575 10.650 1.00 0.00 H new ATOM 374 N PRO A 25 -5.582 3.020 10.201 1.00 0.00 N ATOM 375 CA PRO A 25 -4.134 2.712 10.040 1.00 0.00 C ATOM 376 C PRO A 25 -3.799 1.288 10.539 1.00 0.00 C ATOM 377 O PRO A 25 -2.845 0.661 10.076 1.00 0.00 O ATOM 378 CB PRO A 25 -3.436 3.806 10.892 1.00 0.00 C ATOM 379 CG PRO A 25 -4.469 4.220 11.893 1.00 0.00 C ATOM 380 CD PRO A 25 -5.791 4.139 11.164 1.00 0.00 C ATOM 0 HA PRO A 25 -3.809 2.722 9.000 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.543 3.418 11.381 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -3.121 4.648 10.276 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.459 3.563 12.762 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.282 5.231 12.256 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.615 3.934 11.847 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.026 5.072 10.652 1.00 0.00 H new ATOM 388 N GLU A 26 -4.649 0.785 11.452 1.00 0.00 N ATOM 389 CA GLU A 26 -4.536 -0.551 12.056 1.00 0.00 C ATOM 390 C GLU A 26 -4.904 -1.649 11.038 1.00 0.00 C ATOM 391 O GLU A 26 -4.482 -2.804 11.185 1.00 0.00 O ATOM 392 CB GLU A 26 -5.486 -0.646 13.276 1.00 0.00 C ATOM 393 CG GLU A 26 -5.299 0.457 14.331 1.00 0.00 C ATOM 394 CD GLU A 26 -6.408 0.440 15.394 1.00 0.00 C ATOM 395 OE1 GLU A 26 -7.482 1.031 15.148 1.00 0.00 O ATOM 396 OE2 GLU A 26 -6.225 -0.186 16.465 1.00 0.00 O ATOM 0 H GLU A 26 -5.452 1.310 11.797 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.503 -0.701 12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.516 -0.616 12.919 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.342 -1.615 13.755 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.331 0.332 14.817 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.285 1.429 13.839 1.00 0.00 H new ATOM 403 N SER A 27 -5.705 -1.267 10.020 1.00 0.00 N ATOM 404 CA SER A 27 -6.186 -2.188 8.987 1.00 0.00 C ATOM 405 C SER A 27 -5.016 -2.786 8.188 1.00 0.00 C ATOM 406 O SER A 27 -4.221 -2.059 7.611 1.00 0.00 O ATOM 407 CB SER A 27 -7.164 -1.463 8.030 1.00 0.00 C ATOM 408 OG SER A 27 -8.327 -1.027 8.712 1.00 0.00 O ATOM 0 H SER A 27 -6.032 -0.309 9.898 1.00 0.00 H new ATOM 0 HA SER A 27 -6.712 -3.002 9.485 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.664 -0.607 7.576 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.446 -2.134 7.219 1.00 0.00 H new ATOM 0 HG SER A 27 -8.068 -0.526 9.513 1.00 0.00 H new ATOM 414 N HIS A 28 -4.890 -4.110 8.234 1.00 0.00 N ATOM 415 CA HIS A 28 -4.000 -4.880 7.362 1.00 0.00 C ATOM 416 C HIS A 28 -4.768 -5.173 6.064 1.00 0.00 C ATOM 417 O HIS A 28 -5.901 -5.643 6.139 1.00 0.00 O ATOM 418 CB HIS A 28 -3.598 -6.190 8.073 1.00 0.00 C ATOM 419 CG HIS A 28 -2.531 -6.999 7.372 1.00 0.00 C ATOM 420 ND1 HIS A 28 -2.727 -7.537 6.128 1.00 0.00 N ATOM 421 CD2 HIS A 28 -1.303 -7.352 7.809 1.00 0.00 C ATOM 422 CE1 HIS A 28 -1.629 -8.207 5.850 1.00 0.00 C ATOM 423 NE2 HIS A 28 -0.736 -8.130 6.842 1.00 0.00 N ATOM 0 H HIS A 28 -5.412 -4.691 8.890 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.088 -4.327 7.135 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.248 -5.948 9.076 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -4.487 -6.811 8.187 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -0.853 -7.071 8.750 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.469 -8.753 4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.186 -8.566 6.870 1.00 0.00 H new ATOM 431 N ALA A 29 -4.175 -4.853 4.897 1.00 0.00 N ATOM 432 CA ALA A 29 -4.807 -5.085 3.577 1.00 0.00 C ATOM 433 C ALA A 29 -5.363 -6.519 3.452 1.00 0.00 C ATOM 434 O ALA A 29 -6.551 -6.695 3.209 1.00 0.00 O ATOM 435 CB ALA A 29 -3.826 -4.784 2.428 1.00 0.00 C ATOM 0 H ALA A 29 -3.249 -4.429 4.839 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.647 -4.395 3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.319 -4.964 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.510 -3.742 2.483 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.954 -5.433 2.514 1.00 0.00 H new ATOM 441 N ILE A 30 -4.514 -7.529 3.699 1.00 0.00 N ATOM 442 CA ILE A 30 -4.918 -8.943 3.569 1.00 0.00 C ATOM 443 C ILE A 30 -5.762 -9.385 4.783 1.00 0.00 C ATOM 444 O ILE A 30 -6.921 -9.770 4.631 1.00 0.00 O ATOM 445 CB ILE A 30 -3.680 -9.905 3.399 1.00 0.00 C ATOM 446 CG1 ILE A 30 -2.751 -9.405 2.248 1.00 0.00 C ATOM 447 CG2 ILE A 30 -4.136 -11.371 3.156 1.00 0.00 C ATOM 448 CD1 ILE A 30 -1.518 -10.255 1.997 1.00 0.00 C ATOM 0 H ILE A 30 -3.545 -7.396 3.989 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.522 -9.015 2.664 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.109 -9.890 4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.333 -9.357 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.431 -8.388 2.476 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.260 -12.010 3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.728 -11.713 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.740 -11.419 2.250 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.939 -9.824 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.906 -10.284 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.822 -11.268 1.732 1.00 0.00 H new ATOM 460 N ASP A 31 -5.177 -9.277 5.981 1.00 0.00 N ATOM 461 CA ASP A 31 -5.732 -9.880 7.215 1.00 0.00 C ATOM 462 C ASP A 31 -7.067 -9.232 7.647 1.00 0.00 C ATOM 463 O ASP A 31 -8.045 -9.938 7.933 1.00 0.00 O ATOM 464 CB ASP A 31 -4.684 -9.786 8.353 1.00 0.00 C ATOM 465 CG ASP A 31 -5.081 -10.569 9.617 1.00 0.00 C ATOM 466 OD1 ASP A 31 -4.977 -11.818 9.606 1.00 0.00 O ATOM 467 OD2 ASP A 31 -5.509 -9.952 10.620 1.00 0.00 O ATOM 0 H ASP A 31 -4.305 -8.770 6.131 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.953 -10.926 7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.728 -10.161 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.536 -8.738 8.615 1.00 0.00 H new ATOM 472 N ASP A 32 -7.101 -7.892 7.659 1.00 0.00 N ATOM 473 CA ASP A 32 -8.244 -7.114 8.188 1.00 0.00 C ATOM 474 C ASP A 32 -9.273 -6.779 7.083 1.00 0.00 C ATOM 475 O ASP A 32 -10.471 -7.020 7.252 1.00 0.00 O ATOM 476 CB ASP A 32 -7.727 -5.817 8.852 1.00 0.00 C ATOM 477 CG ASP A 32 -8.839 -4.965 9.497 1.00 0.00 C ATOM 478 OD1 ASP A 32 -9.263 -5.292 10.625 1.00 0.00 O ATOM 479 OD2 ASP A 32 -9.293 -3.970 8.889 1.00 0.00 O ATOM 0 H ASP A 32 -6.341 -7.312 7.304 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.754 -7.727 8.931 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.993 -6.077 9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.210 -5.217 8.103 1.00 0.00 H new ATOM 484 N LEU A 33 -8.794 -6.203 5.965 1.00 0.00 N ATOM 485 CA LEU A 33 -9.666 -5.725 4.870 1.00 0.00 C ATOM 486 C LEU A 33 -10.115 -6.908 3.990 1.00 0.00 C ATOM 487 O LEU A 33 -11.292 -7.008 3.624 1.00 0.00 O ATOM 488 CB LEU A 33 -8.940 -4.642 4.021 1.00 0.00 C ATOM 489 CG LEU A 33 -8.474 -3.363 4.794 1.00 0.00 C ATOM 490 CD1 LEU A 33 -7.737 -2.378 3.865 1.00 0.00 C ATOM 491 CD2 LEU A 33 -9.657 -2.677 5.508 1.00 0.00 C ATOM 0 H LEU A 33 -7.799 -6.055 5.793 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.554 -5.267 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.067 -5.099 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.606 -4.333 3.216 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.767 -3.685 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.428 -1.502 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.858 -2.865 3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.403 -2.070 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.300 -1.792 6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.405 -2.383 4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.102 -3.370 6.222 1.00 0.00 H new ATOM 503 N GLY A 34 -9.171 -7.813 3.689 1.00 0.00 N ATOM 504 CA GLY A 34 -9.444 -8.991 2.852 1.00 0.00 C ATOM 505 C GLY A 34 -8.719 -8.959 1.509 1.00 0.00 C ATOM 506 O GLY A 34 -8.750 -9.947 0.770 1.00 0.00 O ATOM 0 H GLY A 34 -8.207 -7.750 4.015 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.150 -9.889 3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.517 -9.062 2.676 1.00 0.00 H new ATOM 510 N ILE A 35 -8.072 -7.823 1.204 1.00 0.00 N ATOM 511 CA ILE A 35 -7.334 -7.595 -0.061 1.00 0.00 C ATOM 512 C ILE A 35 -6.225 -8.642 -0.251 1.00 0.00 C ATOM 513 O ILE A 35 -5.253 -8.636 0.495 1.00 0.00 O ATOM 514 CB ILE A 35 -6.656 -6.166 -0.078 1.00 0.00 C ATOM 515 CG1 ILE A 35 -7.681 -5.034 0.244 1.00 0.00 C ATOM 516 CG2 ILE A 35 -5.937 -5.900 -1.424 1.00 0.00 C ATOM 517 CD1 ILE A 35 -7.046 -3.669 0.474 1.00 0.00 C ATOM 0 H ILE A 35 -8.043 -7.022 1.835 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.065 -7.672 -0.866 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.904 -6.158 0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.393 -4.958 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.248 -5.314 1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.481 -4.910 -1.404 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.163 -6.652 -1.578 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.659 -5.950 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.824 -2.938 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.356 -3.726 1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.503 -3.365 -0.421 1.00 0.00 H new ATOM 529 N ASP A 36 -6.362 -9.526 -1.249 1.00 0.00 N ATOM 530 CA ASP A 36 -5.324 -10.530 -1.560 1.00 0.00 C ATOM 531 C ASP A 36 -4.160 -9.847 -2.301 1.00 0.00 C ATOM 532 O ASP A 36 -4.338 -8.763 -2.863 1.00 0.00 O ATOM 533 CB ASP A 36 -5.913 -11.680 -2.425 1.00 0.00 C ATOM 534 CG ASP A 36 -4.971 -12.893 -2.534 1.00 0.00 C ATOM 535 OD1 ASP A 36 -4.933 -13.713 -1.589 1.00 0.00 O ATOM 536 OD2 ASP A 36 -4.260 -13.029 -3.547 1.00 0.00 O ATOM 0 H ASP A 36 -7.180 -9.570 -1.857 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.958 -10.962 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.862 -12.001 -1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.127 -11.302 -3.425 1.00 0.00 H new ATOM 541 N SER A 37 -2.979 -10.482 -2.306 1.00 0.00 N ATOM 542 CA SER A 37 -1.802 -10.019 -3.073 1.00 0.00 C ATOM 543 C SER A 37 -2.076 -9.924 -4.602 1.00 0.00 C ATOM 544 O SER A 37 -1.314 -9.277 -5.326 1.00 0.00 O ATOM 545 CB SER A 37 -0.592 -10.935 -2.771 1.00 0.00 C ATOM 546 OG SER A 37 -0.933 -12.306 -2.922 1.00 0.00 O ATOM 0 H SER A 37 -2.807 -11.337 -1.776 1.00 0.00 H new ATOM 0 HA SER A 37 -1.574 -9.003 -2.750 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.231 -10.687 -3.441 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.241 -10.755 -1.755 1.00 0.00 H new ATOM 0 HG SER A 37 -0.150 -12.861 -2.727 1.00 0.00 H new ATOM 552 N LEU A 38 -3.176 -10.552 -5.081 1.00 0.00 N ATOM 553 CA LEU A 38 -3.617 -10.486 -6.491 1.00 0.00 C ATOM 554 C LEU A 38 -4.499 -9.246 -6.731 1.00 0.00 C ATOM 555 O LEU A 38 -4.412 -8.597 -7.781 1.00 0.00 O ATOM 556 CB LEU A 38 -4.383 -11.779 -6.878 1.00 0.00 C ATOM 557 CG LEU A 38 -3.560 -13.106 -6.823 1.00 0.00 C ATOM 558 CD1 LEU A 38 -4.431 -14.332 -7.189 1.00 0.00 C ATOM 559 CD2 LEU A 38 -2.303 -13.014 -7.713 1.00 0.00 C ATOM 0 H LEU A 38 -3.785 -11.122 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.733 -10.402 -7.122 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.243 -11.880 -6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.772 -11.658 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.227 -13.248 -5.795 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.825 -15.237 -7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.260 -14.412 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.822 -14.212 -8.199 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.748 -13.950 -7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.601 -12.830 -8.745 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.671 -12.196 -7.367 1.00 0.00 H new ATOM 571 N ASP A 39 -5.353 -8.936 -5.740 1.00 0.00 N ATOM 572 CA ASP A 39 -6.228 -7.737 -5.771 1.00 0.00 C ATOM 573 C ASP A 39 -5.379 -6.471 -5.567 1.00 0.00 C ATOM 574 O ASP A 39 -5.666 -5.409 -6.130 1.00 0.00 O ATOM 575 CB ASP A 39 -7.322 -7.834 -4.667 1.00 0.00 C ATOM 576 CG ASP A 39 -8.347 -6.675 -4.724 1.00 0.00 C ATOM 577 OD1 ASP A 39 -8.107 -5.603 -4.116 1.00 0.00 O ATOM 578 OD2 ASP A 39 -9.411 -6.841 -5.355 1.00 0.00 O ATOM 0 H ASP A 39 -5.461 -9.501 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.722 -7.684 -6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.849 -8.783 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.842 -7.839 -3.688 1.00 0.00 H new ATOM 583 N PHE A 40 -4.308 -6.622 -4.771 1.00 0.00 N ATOM 584 CA PHE A 40 -3.384 -5.533 -4.437 1.00 0.00 C ATOM 585 C PHE A 40 -2.566 -5.115 -5.682 1.00 0.00 C ATOM 586 O PHE A 40 -1.980 -4.050 -5.682 1.00 0.00 O ATOM 587 CB PHE A 40 -2.467 -5.922 -3.239 1.00 0.00 C ATOM 588 CG PHE A 40 -1.925 -4.724 -2.445 1.00 0.00 C ATOM 589 CD1 PHE A 40 -0.763 -4.055 -2.837 1.00 0.00 C ATOM 590 CD2 PHE A 40 -2.592 -4.258 -1.316 1.00 0.00 C ATOM 591 CE1 PHE A 40 -0.294 -2.964 -2.135 1.00 0.00 C ATOM 592 CE2 PHE A 40 -2.121 -3.170 -0.611 1.00 0.00 C ATOM 593 CZ PHE A 40 -0.974 -2.524 -1.024 1.00 0.00 C ATOM 0 H PHE A 40 -4.060 -7.512 -4.339 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.968 -4.668 -4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.027 -6.568 -2.563 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.626 -6.505 -3.614 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.222 -4.398 -3.706 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.492 -4.756 -0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.604 -2.457 -2.457 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.650 -2.824 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 40 -0.609 -1.670 -0.473 1.00 0.00 H new ATOM 603 N LEU A 41 -2.492 -5.990 -6.714 1.00 0.00 N ATOM 604 CA LEU A 41 -1.836 -5.658 -8.009 1.00 0.00 C ATOM 605 C LEU A 41 -2.539 -4.447 -8.671 1.00 0.00 C ATOM 606 O LEU A 41 -1.884 -3.533 -9.188 1.00 0.00 O ATOM 607 CB LEU A 41 -1.872 -6.886 -8.961 1.00 0.00 C ATOM 608 CG LEU A 41 -0.999 -8.111 -8.537 1.00 0.00 C ATOM 609 CD1 LEU A 41 -1.303 -9.352 -9.404 1.00 0.00 C ATOM 610 CD2 LEU A 41 0.502 -7.764 -8.592 1.00 0.00 C ATOM 0 H LEU A 41 -2.878 -6.933 -6.678 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.796 -5.396 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.906 -7.218 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.551 -6.562 -9.951 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.258 -8.354 -7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.677 -10.184 -9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.353 -9.624 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.093 -9.126 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.088 -8.633 -8.292 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.772 -7.477 -9.608 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.709 -6.936 -7.914 1.00 0.00 H new ATOM 622 N ASP A 42 -3.886 -4.460 -8.609 1.00 0.00 N ATOM 623 CA ASP A 42 -4.765 -3.384 -9.112 1.00 0.00 C ATOM 624 C ASP A 42 -4.553 -2.083 -8.299 1.00 0.00 C ATOM 625 O ASP A 42 -4.464 -0.988 -8.867 1.00 0.00 O ATOM 626 CB ASP A 42 -6.243 -3.880 -9.037 1.00 0.00 C ATOM 627 CG ASP A 42 -7.303 -2.828 -9.419 1.00 0.00 C ATOM 628 OD1 ASP A 42 -7.208 -2.243 -10.521 1.00 0.00 O ATOM 629 OD2 ASP A 42 -8.257 -2.609 -8.641 1.00 0.00 O ATOM 0 H ASP A 42 -4.405 -5.236 -8.199 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.521 -3.150 -10.148 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.355 -4.742 -9.695 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.444 -4.225 -8.023 1.00 0.00 H new ATOM 634 N ILE A 43 -4.439 -2.231 -6.969 1.00 0.00 N ATOM 635 CA ILE A 43 -4.208 -1.101 -6.040 1.00 0.00 C ATOM 636 C ILE A 43 -2.806 -0.493 -6.247 1.00 0.00 C ATOM 637 O ILE A 43 -2.645 0.729 -6.271 1.00 0.00 O ATOM 638 CB ILE A 43 -4.368 -1.560 -4.549 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.799 -2.138 -4.307 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.048 -0.406 -3.564 1.00 0.00 C ATOM 641 CD1 ILE A 43 -6.061 -2.578 -2.879 1.00 0.00 C ATOM 0 H ILE A 43 -4.504 -3.136 -6.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.957 -0.340 -6.258 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.645 -2.353 -4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.535 -1.383 -4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.952 -2.989 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.169 -0.758 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.021 -0.073 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.729 0.426 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.076 -2.966 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.351 -3.358 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.944 -1.727 -2.209 1.00 0.00 H new ATOM 653 N ALA A 44 -1.822 -1.386 -6.434 1.00 0.00 N ATOM 654 CA ALA A 44 -0.397 -1.021 -6.586 1.00 0.00 C ATOM 655 C ALA A 44 -0.198 -0.210 -7.871 1.00 0.00 C ATOM 656 O ALA A 44 0.639 0.686 -7.921 1.00 0.00 O ATOM 657 CB ALA A 44 0.489 -2.278 -6.585 1.00 0.00 C ATOM 0 H ALA A 44 -1.990 -2.391 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.100 -0.404 -5.738 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.533 -1.987 -6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.361 -2.813 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.201 -2.926 -7.413 1.00 0.00 H new ATOM 663 N PHE A 45 -1.033 -0.532 -8.875 1.00 0.00 N ATOM 664 CA PHE A 45 -1.085 0.185 -10.159 1.00 0.00 C ATOM 665 C PHE A 45 -1.575 1.636 -9.962 1.00 0.00 C ATOM 666 O PHE A 45 -1.015 2.572 -10.540 1.00 0.00 O ATOM 667 CB PHE A 45 -1.992 -0.586 -11.153 1.00 0.00 C ATOM 668 CG PHE A 45 -2.028 -0.002 -12.565 1.00 0.00 C ATOM 669 CD1 PHE A 45 -0.862 0.072 -13.329 1.00 0.00 C ATOM 670 CD2 PHE A 45 -3.211 0.477 -13.122 1.00 0.00 C ATOM 671 CE1 PHE A 45 -0.884 0.604 -14.603 1.00 0.00 C ATOM 672 CE2 PHE A 45 -3.229 1.009 -14.398 1.00 0.00 C ATOM 673 CZ PHE A 45 -2.068 1.071 -15.137 1.00 0.00 C ATOM 0 H PHE A 45 -1.696 -1.305 -8.816 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.079 0.237 -10.576 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.650 -1.619 -11.210 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.007 -0.607 -10.757 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.069 -0.291 -12.919 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.126 0.432 -12.550 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.026 0.655 -15.182 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.155 1.376 -14.816 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.084 1.485 -16.134 1.00 0.00 H new ATOM 683 N ALA A 46 -2.622 1.803 -9.135 1.00 0.00 N ATOM 684 CA ALA A 46 -3.175 3.132 -8.803 1.00 0.00 C ATOM 685 C ALA A 46 -2.178 3.963 -7.970 1.00 0.00 C ATOM 686 O ALA A 46 -2.128 5.185 -8.089 1.00 0.00 O ATOM 687 CB ALA A 46 -4.502 2.986 -8.053 1.00 0.00 C ATOM 0 H ALA A 46 -3.107 1.029 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.354 3.662 -9.738 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.896 3.974 -7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.216 2.451 -8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.339 2.429 -7.130 1.00 0.00 H new ATOM 693 N ILE A 47 -1.389 3.270 -7.129 1.00 0.00 N ATOM 694 CA ILE A 47 -0.338 3.895 -6.302 1.00 0.00 C ATOM 695 C ILE A 47 0.816 4.401 -7.199 1.00 0.00 C ATOM 696 O ILE A 47 1.364 5.488 -6.961 1.00 0.00 O ATOM 697 CB ILE A 47 0.194 2.894 -5.203 1.00 0.00 C ATOM 698 CG1 ILE A 47 -0.955 2.536 -4.199 1.00 0.00 C ATOM 699 CG2 ILE A 47 1.429 3.462 -4.451 1.00 0.00 C ATOM 700 CD1 ILE A 47 -0.647 1.401 -3.231 1.00 0.00 C ATOM 0 H ILE A 47 -1.461 2.260 -7.003 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.772 4.749 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 47 0.518 1.984 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.200 3.427 -3.621 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.845 2.272 -4.771 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.763 2.742 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.234 3.647 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.157 4.396 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.506 1.234 -2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.434 0.491 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.220 1.665 -2.625 1.00 0.00 H new ATOM 712 N ASP A 48 1.167 3.596 -8.230 1.00 0.00 N ATOM 713 CA ASP A 48 2.165 3.980 -9.257 1.00 0.00 C ATOM 714 C ASP A 48 1.802 5.335 -9.887 1.00 0.00 C ATOM 715 O ASP A 48 2.616 6.260 -9.912 1.00 0.00 O ATOM 716 CB ASP A 48 2.280 2.915 -10.396 1.00 0.00 C ATOM 717 CG ASP A 48 2.813 1.539 -9.957 1.00 0.00 C ATOM 718 OD1 ASP A 48 3.799 1.485 -9.200 1.00 0.00 O ATOM 719 OD2 ASP A 48 2.289 0.497 -10.425 1.00 0.00 O ATOM 0 H ASP A 48 0.769 2.668 -8.373 1.00 0.00 H new ATOM 0 HA ASP A 48 3.125 4.048 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.296 2.779 -10.845 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.934 3.308 -11.174 1.00 0.00 H new ATOM 724 N LYS A 49 0.541 5.441 -10.331 1.00 0.00 N ATOM 725 CA LYS A 49 0.047 6.586 -11.113 1.00 0.00 C ATOM 726 C LYS A 49 -0.125 7.841 -10.238 1.00 0.00 C ATOM 727 O LYS A 49 0.367 8.924 -10.584 1.00 0.00 O ATOM 728 CB LYS A 49 -1.300 6.216 -11.795 1.00 0.00 C ATOM 729 CG LYS A 49 -1.227 4.978 -12.714 1.00 0.00 C ATOM 730 CD LYS A 49 -2.530 4.716 -13.503 1.00 0.00 C ATOM 731 CE LYS A 49 -2.886 5.874 -14.454 1.00 0.00 C ATOM 732 NZ LYS A 49 -1.785 6.194 -15.407 1.00 0.00 N ATOM 0 H LYS A 49 -0.170 4.731 -10.157 1.00 0.00 H new ATOM 0 HA LYS A 49 0.789 6.818 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.048 6.037 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.644 7.069 -12.380 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -0.405 5.107 -13.418 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.995 4.101 -12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.424 3.797 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.350 4.560 -12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.783 5.615 -15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -3.122 6.761 -13.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.123 6.883 -16.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.980 6.597 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.483 5.325 -15.893 1.00 0.00 H new ATOM 746 N ALA A 50 -0.789 7.663 -9.084 1.00 0.00 N ATOM 747 CA ALA A 50 -1.201 8.777 -8.203 1.00 0.00 C ATOM 748 C ALA A 50 0.007 9.451 -7.545 1.00 0.00 C ATOM 749 O ALA A 50 0.100 10.683 -7.494 1.00 0.00 O ATOM 750 CB ALA A 50 -2.176 8.272 -7.131 1.00 0.00 C ATOM 0 H ALA A 50 -1.057 6.744 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.702 9.522 -8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.472 9.101 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.060 7.852 -7.612 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.690 7.503 -6.530 1.00 0.00 H new ATOM 756 N PHE A 51 0.937 8.624 -7.051 1.00 0.00 N ATOM 757 CA PHE A 51 2.134 9.089 -6.338 1.00 0.00 C ATOM 758 C PHE A 51 3.328 9.313 -7.297 1.00 0.00 C ATOM 759 O PHE A 51 4.342 9.887 -6.887 1.00 0.00 O ATOM 760 CB PHE A 51 2.501 8.071 -5.231 1.00 0.00 C ATOM 761 CG PHE A 51 1.447 7.932 -4.119 1.00 0.00 C ATOM 762 CD1 PHE A 51 1.494 8.740 -2.982 1.00 0.00 C ATOM 763 CD2 PHE A 51 0.424 6.988 -4.209 1.00 0.00 C ATOM 764 CE1 PHE A 51 0.550 8.610 -1.976 1.00 0.00 C ATOM 765 CE2 PHE A 51 -0.515 6.858 -3.201 1.00 0.00 C ATOM 766 CZ PHE A 51 -0.452 7.669 -2.087 1.00 0.00 C ATOM 0 H PHE A 51 0.880 7.609 -7.135 1.00 0.00 H new ATOM 0 HA PHE A 51 1.909 10.054 -5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.658 7.095 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.449 8.368 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.277 9.477 -2.885 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.364 6.349 -5.078 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.599 9.246 -1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.299 6.120 -3.287 1.00 0.00 H new ATOM 0 HZ PHE A 51 -1.187 7.567 -1.302 1.00 0.00 H new ATOM 776 N GLY A 52 3.201 8.845 -8.557 1.00 0.00 N ATOM 777 CA GLY A 52 4.247 9.018 -9.581 1.00 0.00 C ATOM 778 C GLY A 52 5.494 8.181 -9.302 1.00 0.00 C ATOM 779 O GLY A 52 6.608 8.561 -9.682 1.00 0.00 O ATOM 0 H GLY A 52 2.378 8.342 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.843 8.745 -10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.526 10.070 -9.634 1.00 0.00 H new ATOM 783 N ILE A 53 5.296 7.030 -8.630 1.00 0.00 N ATOM 784 CA ILE A 53 6.385 6.136 -8.179 1.00 0.00 C ATOM 785 C ILE A 53 6.256 4.746 -8.817 1.00 0.00 C ATOM 786 O ILE A 53 5.294 4.472 -9.526 1.00 0.00 O ATOM 787 CB ILE A 53 6.388 5.999 -6.611 1.00 0.00 C ATOM 788 CG1 ILE A 53 5.035 5.384 -6.096 1.00 0.00 C ATOM 789 CG2 ILE A 53 6.682 7.365 -5.953 1.00 0.00 C ATOM 790 CD1 ILE A 53 4.972 5.116 -4.600 1.00 0.00 C ATOM 0 H ILE A 53 4.367 6.690 -8.382 1.00 0.00 H new ATOM 0 HA ILE A 53 7.327 6.583 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 53 7.184 5.312 -6.324 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.223 6.060 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.856 4.448 -6.624 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.681 7.254 -4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.658 7.724 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.915 8.082 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.000 4.693 -4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.757 4.412 -4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.114 6.050 -4.057 1.00 0.00 H new ATOM 802 N LYS A 54 7.248 3.877 -8.556 1.00 0.00 N ATOM 803 CA LYS A 54 7.217 2.469 -8.970 1.00 0.00 C ATOM 804 C LYS A 54 7.217 1.586 -7.709 1.00 0.00 C ATOM 805 O LYS A 54 8.277 1.313 -7.138 1.00 0.00 O ATOM 806 CB LYS A 54 8.433 2.156 -9.894 1.00 0.00 C ATOM 807 CG LYS A 54 8.364 0.772 -10.575 1.00 0.00 C ATOM 808 CD LYS A 54 9.547 0.500 -11.529 1.00 0.00 C ATOM 809 CE LYS A 54 9.318 -0.732 -12.432 1.00 0.00 C ATOM 810 NZ LYS A 54 9.121 -1.988 -11.653 1.00 0.00 N ATOM 0 H LYS A 54 8.095 4.135 -8.050 1.00 0.00 H new ATOM 0 HA LYS A 54 6.314 2.261 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.499 2.925 -10.663 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.348 2.215 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.340 -0.002 -9.808 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.431 0.696 -11.134 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.712 1.377 -12.154 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.454 0.351 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.445 -0.559 -13.061 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.172 -0.853 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.972 -2.783 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.964 -2.172 -11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.290 -1.887 -11.036 1.00 0.00 H new ATOM 824 N LEU A 55 6.012 1.216 -7.233 1.00 0.00 N ATOM 825 CA LEU A 55 5.831 0.314 -6.087 1.00 0.00 C ATOM 826 C LEU A 55 6.062 -1.134 -6.557 1.00 0.00 C ATOM 827 O LEU A 55 5.281 -1.633 -7.368 1.00 0.00 O ATOM 828 CB LEU A 55 4.402 0.521 -5.463 1.00 0.00 C ATOM 829 CG LEU A 55 4.061 -0.300 -4.153 1.00 0.00 C ATOM 830 CD1 LEU A 55 3.011 0.428 -3.291 1.00 0.00 C ATOM 831 CD2 LEU A 55 3.572 -1.747 -4.448 1.00 0.00 C ATOM 0 H LEU A 55 5.133 1.539 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 55 6.555 0.536 -5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.281 1.581 -5.239 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.662 0.269 -6.222 1.00 0.00 H new ATOM 0 HG LEU A 55 4.999 -0.373 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.799 -0.162 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.396 1.405 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.094 0.557 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.355 -2.256 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.669 -1.709 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.349 -2.291 -4.985 1.00 0.00 H new ATOM 843 N PRO A 56 7.133 -1.844 -6.076 1.00 0.00 N ATOM 844 CA PRO A 56 7.389 -3.239 -6.469 1.00 0.00 C ATOM 845 C PRO A 56 6.657 -4.251 -5.559 1.00 0.00 C ATOM 846 O PRO A 56 7.214 -4.746 -4.579 1.00 0.00 O ATOM 847 CB PRO A 56 8.929 -3.318 -6.359 1.00 0.00 C ATOM 848 CG PRO A 56 9.278 -2.407 -5.205 1.00 0.00 C ATOM 849 CD PRO A 56 8.178 -1.351 -5.131 1.00 0.00 C ATOM 0 HA PRO A 56 7.016 -3.498 -7.460 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.261 -4.339 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 56 9.409 -2.991 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.338 -2.969 -4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.251 -1.942 -5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.786 -1.255 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.549 -0.369 -5.424 1.00 0.00 H new ATOM 857 N LEU A 57 5.387 -4.550 -5.887 1.00 0.00 N ATOM 858 CA LEU A 57 4.586 -5.533 -5.135 1.00 0.00 C ATOM 859 C LEU A 57 5.087 -6.957 -5.431 1.00 0.00 C ATOM 860 O LEU A 57 5.006 -7.839 -4.573 1.00 0.00 O ATOM 861 CB LEU A 57 3.074 -5.431 -5.458 1.00 0.00 C ATOM 862 CG LEU A 57 2.168 -6.392 -4.621 1.00 0.00 C ATOM 863 CD1 LEU A 57 2.217 -6.053 -3.113 1.00 0.00 C ATOM 864 CD2 LEU A 57 0.730 -6.416 -5.148 1.00 0.00 C ATOM 0 H LEU A 57 4.892 -4.123 -6.670 1.00 0.00 H new ATOM 0 HA LEU A 57 4.710 -5.308 -4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.747 -4.405 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.926 -5.643 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 57 2.571 -7.398 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.575 -6.742 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.241 -6.146 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.869 -5.032 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.131 -7.095 -4.541 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.307 -5.413 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.728 -6.757 -6.183 1.00 0.00 H new ATOM 876 N GLU A 58 5.617 -7.162 -6.653 1.00 0.00 N ATOM 877 CA GLU A 58 6.213 -8.449 -7.066 1.00 0.00 C ATOM 878 C GLU A 58 7.394 -8.841 -6.154 1.00 0.00 C ATOM 879 O GLU A 58 7.650 -10.032 -5.931 1.00 0.00 O ATOM 880 CB GLU A 58 6.663 -8.394 -8.540 1.00 0.00 C ATOM 881 CG GLU A 58 7.705 -7.307 -8.860 1.00 0.00 C ATOM 882 CD GLU A 58 8.211 -7.369 -10.312 1.00 0.00 C ATOM 883 OE1 GLU A 58 9.168 -8.130 -10.586 1.00 0.00 O ATOM 884 OE2 GLU A 58 7.667 -6.654 -11.180 1.00 0.00 O ATOM 0 H GLU A 58 5.644 -6.445 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 58 5.445 -9.216 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.076 -9.365 -8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.786 -8.232 -9.167 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.267 -6.326 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.551 -7.412 -8.181 1.00 0.00 H new ATOM 891 N LYS A 59 8.085 -7.811 -5.637 1.00 0.00 N ATOM 892 CA LYS A 59 9.141 -7.951 -4.634 1.00 0.00 C ATOM 893 C LYS A 59 8.497 -8.360 -3.293 1.00 0.00 C ATOM 894 O LYS A 59 8.793 -9.422 -2.757 1.00 0.00 O ATOM 895 CB LYS A 59 9.894 -6.592 -4.481 1.00 0.00 C ATOM 896 CG LYS A 59 11.078 -6.593 -3.490 1.00 0.00 C ATOM 897 CD LYS A 59 11.575 -5.163 -3.167 1.00 0.00 C ATOM 898 CE LYS A 59 12.730 -5.144 -2.147 1.00 0.00 C ATOM 899 NZ LYS A 59 13.131 -3.758 -1.787 1.00 0.00 N ATOM 0 H LYS A 59 7.918 -6.843 -5.913 1.00 0.00 H new ATOM 0 HA LYS A 59 9.856 -8.714 -4.941 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.264 -6.290 -5.461 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.178 -5.834 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.776 -7.087 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.899 -7.175 -3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.903 -4.681 -4.088 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.744 -4.575 -2.778 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.428 -5.680 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.588 -5.674 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.910 -3.790 -1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.444 -3.254 -2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.320 -3.260 -1.369 1.00 0.00 H new ATOM 913 N TRP A 60 7.528 -7.535 -2.845 1.00 0.00 N ATOM 914 CA TRP A 60 6.936 -7.588 -1.484 1.00 0.00 C ATOM 915 C TRP A 60 6.242 -8.932 -1.184 1.00 0.00 C ATOM 916 O TRP A 60 6.474 -9.529 -0.129 1.00 0.00 O ATOM 917 CB TRP A 60 5.949 -6.408 -1.298 1.00 0.00 C ATOM 918 CG TRP A 60 6.588 -5.029 -1.342 1.00 0.00 C ATOM 919 CD1 TRP A 60 7.902 -4.721 -1.569 1.00 0.00 C ATOM 920 CD2 TRP A 60 5.923 -3.783 -1.133 1.00 0.00 C ATOM 921 NE1 TRP A 60 8.081 -3.368 -1.524 1.00 0.00 N ATOM 922 CE2 TRP A 60 6.891 -2.767 -1.254 1.00 0.00 C ATOM 923 CE3 TRP A 60 4.607 -3.428 -0.860 1.00 0.00 C ATOM 924 CZ2 TRP A 60 6.584 -1.422 -1.106 1.00 0.00 C ATOM 925 CZ3 TRP A 60 4.301 -2.094 -0.709 1.00 0.00 C ATOM 926 CH2 TRP A 60 5.288 -1.101 -0.835 1.00 0.00 C ATOM 0 H TRP A 60 7.125 -6.799 -3.426 1.00 0.00 H new ATOM 0 HA TRP A 60 7.754 -7.500 -0.769 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.187 -6.465 -2.075 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.439 -6.526 -0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 60 8.683 -5.443 -1.756 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.967 -2.884 -1.670 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.840 -4.183 -0.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 7.343 -0.659 -1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.284 -1.805 -0.490 1.00 0.00 H new ATOM 0 HH2 TRP A 60 5.014 -0.063 -0.715 1.00 0.00 H new ATOM 937 N THR A 61 5.396 -9.384 -2.119 1.00 0.00 N ATOM 938 CA THR A 61 4.691 -10.673 -2.027 1.00 0.00 C ATOM 939 C THR A 61 5.679 -11.860 -1.944 1.00 0.00 C ATOM 940 O THR A 61 5.521 -12.757 -1.103 1.00 0.00 O ATOM 941 CB THR A 61 3.736 -10.843 -3.258 1.00 0.00 C ATOM 942 OG1 THR A 61 2.833 -9.721 -3.325 1.00 0.00 O ATOM 943 CG2 THR A 61 2.916 -12.145 -3.199 1.00 0.00 C ATOM 0 H THR A 61 5.179 -8.862 -2.968 1.00 0.00 H new ATOM 0 HA THR A 61 4.103 -10.673 -1.109 1.00 0.00 H new ATOM 0 HB THR A 61 4.365 -10.890 -4.147 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.237 -9.826 -4.096 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.273 -12.210 -4.076 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.592 -13.000 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.302 -12.148 -2.298 1.00 0.00 H new ATOM 951 N GLN A 62 6.724 -11.825 -2.794 1.00 0.00 N ATOM 952 CA GLN A 62 7.732 -12.895 -2.880 1.00 0.00 C ATOM 953 C GLN A 62 8.628 -12.909 -1.609 1.00 0.00 C ATOM 954 O GLN A 62 9.116 -13.973 -1.189 1.00 0.00 O ATOM 955 CB GLN A 62 8.591 -12.736 -4.171 1.00 0.00 C ATOM 956 CG GLN A 62 9.495 -13.949 -4.490 1.00 0.00 C ATOM 957 CD GLN A 62 8.701 -15.213 -4.847 1.00 0.00 C ATOM 958 OE1 GLN A 62 8.314 -15.989 -3.974 1.00 0.00 O ATOM 959 NE2 GLN A 62 8.460 -15.429 -6.135 1.00 0.00 N ATOM 0 H GLN A 62 6.891 -11.053 -3.440 1.00 0.00 H new ATOM 0 HA GLN A 62 7.215 -13.853 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.925 -12.562 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.216 -11.849 -4.070 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.155 -13.695 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.131 -14.157 -3.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.794 -14.766 -6.835 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.940 -16.258 -6.425 1.00 0.00 H new ATOM 968 N GLU A 63 8.831 -11.710 -1.009 1.00 0.00 N ATOM 969 CA GLU A 63 9.569 -11.549 0.264 1.00 0.00 C ATOM 970 C GLU A 63 8.843 -12.267 1.406 1.00 0.00 C ATOM 971 O GLU A 63 9.476 -12.906 2.237 1.00 0.00 O ATOM 972 CB GLU A 63 9.773 -10.044 0.615 1.00 0.00 C ATOM 973 CG GLU A 63 10.772 -9.319 -0.298 1.00 0.00 C ATOM 974 CD GLU A 63 10.944 -7.839 0.063 1.00 0.00 C ATOM 975 OE1 GLU A 63 10.092 -7.016 -0.328 1.00 0.00 O ATOM 976 OE2 GLU A 63 11.920 -7.489 0.766 1.00 0.00 O ATOM 0 H GLU A 63 8.488 -10.830 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 63 10.552 -12.002 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.811 -9.535 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.116 -9.966 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.740 -9.817 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.436 -9.399 -1.332 1.00 0.00 H new ATOM 983 N VAL A 64 7.508 -12.169 1.421 1.00 0.00 N ATOM 984 CA VAL A 64 6.675 -12.865 2.422 1.00 0.00 C ATOM 985 C VAL A 64 6.754 -14.390 2.213 1.00 0.00 C ATOM 986 O VAL A 64 6.905 -15.153 3.178 1.00 0.00 O ATOM 987 CB VAL A 64 5.181 -12.398 2.381 1.00 0.00 C ATOM 988 CG1 VAL A 64 4.339 -13.133 3.469 1.00 0.00 C ATOM 989 CG2 VAL A 64 5.080 -10.856 2.524 1.00 0.00 C ATOM 0 H VAL A 64 6.976 -11.614 0.751 1.00 0.00 H new ATOM 0 HA VAL A 64 7.071 -12.608 3.404 1.00 0.00 H new ATOM 0 HB VAL A 64 4.765 -12.665 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.305 -12.792 3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.375 -14.208 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.748 -12.913 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.033 -10.556 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.517 -10.549 3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.619 -10.379 1.706 1.00 0.00 H new ATOM 999 N ASN A 65 6.690 -14.808 0.935 1.00 0.00 N ATOM 1000 CA ASN A 65 6.771 -16.230 0.531 1.00 0.00 C ATOM 1001 C ASN A 65 8.065 -16.915 1.019 1.00 0.00 C ATOM 1002 O ASN A 65 8.064 -18.121 1.296 1.00 0.00 O ATOM 1003 CB ASN A 65 6.664 -16.368 -1.012 1.00 0.00 C ATOM 1004 CG ASN A 65 5.317 -15.923 -1.585 1.00 0.00 C ATOM 1005 OD1 ASN A 65 4.281 -16.016 -0.931 1.00 0.00 O ATOM 1006 ND2 ASN A 65 5.322 -15.471 -2.824 1.00 0.00 N ATOM 0 H ASN A 65 6.580 -14.168 0.148 1.00 0.00 H new ATOM 0 HA ASN A 65 5.930 -16.733 1.007 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.456 -15.780 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.838 -17.408 -1.286 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.448 -15.186 -3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.200 -15.406 -3.340 1.00 0.00 H new ATOM 1013 N ASP A 66 9.160 -16.145 1.128 1.00 0.00 N ATOM 1014 CA ASP A 66 10.471 -16.669 1.569 1.00 0.00 C ATOM 1015 C ASP A 66 10.758 -16.305 3.040 1.00 0.00 C ATOM 1016 O ASP A 66 11.632 -16.900 3.677 1.00 0.00 O ATOM 1017 CB ASP A 66 11.602 -16.136 0.655 1.00 0.00 C ATOM 1018 CG ASP A 66 12.855 -17.029 0.696 1.00 0.00 C ATOM 1019 OD1 ASP A 66 12.887 -18.048 -0.029 1.00 0.00 O ATOM 1020 OD2 ASP A 66 13.811 -16.731 1.446 1.00 0.00 O ATOM 0 H ASP A 66 9.166 -15.147 0.915 1.00 0.00 H new ATOM 0 HA ASP A 66 10.436 -17.756 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.238 -16.072 -0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.869 -15.125 0.963 1.00 0.00 H new ATOM 1025 N GLY A 67 9.980 -15.357 3.580 1.00 0.00 N ATOM 1026 CA GLY A 67 10.216 -14.822 4.924 1.00 0.00 C ATOM 1027 C GLY A 67 11.354 -13.804 4.989 1.00 0.00 C ATOM 1028 O GLY A 67 11.970 -13.632 6.048 1.00 0.00 O ATOM 0 H GLY A 67 9.179 -14.945 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.300 -14.354 5.285 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.440 -15.647 5.600 1.00 0.00 H new ATOM 1032 N LYS A 68 11.663 -13.144 3.847 1.00 0.00 N ATOM 1033 CA LYS A 68 12.564 -11.965 3.813 1.00 0.00 C ATOM 1034 C LYS A 68 11.933 -10.805 4.623 1.00 0.00 C ATOM 1035 O LYS A 68 12.639 -9.994 5.232 1.00 0.00 O ATOM 1036 CB LYS A 68 12.812 -11.449 2.365 1.00 0.00 C ATOM 1037 CG LYS A 68 13.246 -12.492 1.313 1.00 0.00 C ATOM 1038 CD LYS A 68 14.581 -13.204 1.638 1.00 0.00 C ATOM 1039 CE LYS A 68 15.168 -13.940 0.409 1.00 0.00 C ATOM 1040 NZ LYS A 68 16.338 -14.779 0.765 1.00 0.00 N ATOM 0 H LYS A 68 11.299 -13.410 2.932 1.00 0.00 H new ATOM 0 HA LYS A 68 13.515 -12.283 4.240 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.896 -10.974 2.013 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.577 -10.673 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.461 -13.242 1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.336 -11.999 0.345 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.303 -12.471 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.422 -13.919 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.397 -14.566 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.463 -13.209 -0.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.698 -15.253 -0.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.085 -14.179 1.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.052 -15.494 1.464 1.00 0.00 H new ATOM 1054 N ALA A 69 10.582 -10.776 4.615 1.00 0.00 N ATOM 1055 CA ALA A 69 9.767 -9.726 5.237 1.00 0.00 C ATOM 1056 C ALA A 69 8.349 -10.252 5.491 1.00 0.00 C ATOM 1057 O ALA A 69 7.967 -11.303 4.966 1.00 0.00 O ATOM 1058 CB ALA A 69 9.740 -8.475 4.348 1.00 0.00 C ATOM 0 H ALA A 69 10.022 -11.500 4.165 1.00 0.00 H new ATOM 0 HA ALA A 69 10.209 -9.448 6.194 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.132 -7.705 4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.756 -8.103 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.313 -8.728 3.377 1.00 0.00 H new ATOM 1064 N THR A 70 7.582 -9.512 6.297 1.00 0.00 N ATOM 1065 CA THR A 70 6.207 -9.878 6.680 1.00 0.00 C ATOM 1066 C THR A 70 5.174 -9.115 5.825 1.00 0.00 C ATOM 1067 O THR A 70 5.489 -8.059 5.250 1.00 0.00 O ATOM 1068 CB THR A 70 5.965 -9.560 8.196 1.00 0.00 C ATOM 1069 OG1 THR A 70 6.260 -8.174 8.463 1.00 0.00 O ATOM 1070 CG2 THR A 70 6.814 -10.456 9.115 1.00 0.00 C ATOM 0 H THR A 70 7.897 -8.633 6.708 1.00 0.00 H new ATOM 0 HA THR A 70 6.084 -10.947 6.507 1.00 0.00 H new ATOM 0 HB THR A 70 4.915 -9.763 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.260 -8.020 9.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.615 -10.202 10.156 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.558 -11.501 8.941 1.00 0.00 H new ATOM 0 HG23 THR A 70 7.871 -10.301 8.899 1.00 0.00 H new ATOM 1078 N THR A 71 3.938 -9.658 5.750 1.00 0.00 N ATOM 1079 CA THR A 71 2.781 -8.935 5.186 1.00 0.00 C ATOM 1080 C THR A 71 2.458 -7.715 6.058 1.00 0.00 C ATOM 1081 O THR A 71 1.981 -6.702 5.561 1.00 0.00 O ATOM 1082 CB THR A 71 1.497 -9.830 5.076 1.00 0.00 C ATOM 1083 OG1 THR A 71 1.211 -10.432 6.352 1.00 0.00 O ATOM 1084 CG2 THR A 71 1.607 -10.917 4.007 1.00 0.00 C ATOM 0 H THR A 71 3.718 -10.599 6.075 1.00 0.00 H new ATOM 0 HA THR A 71 3.062 -8.632 4.177 1.00 0.00 H new ATOM 0 HB THR A 71 0.683 -9.172 4.773 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.408 -10.988 6.279 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.686 -11.499 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.769 -10.455 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.445 -11.574 4.241 1.00 0.00 H new ATOM 1092 N GLU A 72 2.710 -7.855 7.374 1.00 0.00 N ATOM 1093 CA GLU A 72 2.549 -6.769 8.353 1.00 0.00 C ATOM 1094 C GLU A 72 3.378 -5.525 7.945 1.00 0.00 C ATOM 1095 O GLU A 72 2.873 -4.401 7.960 1.00 0.00 O ATOM 1096 CB GLU A 72 2.982 -7.268 9.757 1.00 0.00 C ATOM 1097 CG GLU A 72 2.854 -6.221 10.882 1.00 0.00 C ATOM 1098 CD GLU A 72 3.393 -6.715 12.235 1.00 0.00 C ATOM 1099 OE1 GLU A 72 2.632 -7.348 13.002 1.00 0.00 O ATOM 1100 OE2 GLU A 72 4.584 -6.477 12.539 1.00 0.00 O ATOM 0 H GLU A 72 3.032 -8.730 7.787 1.00 0.00 H new ATOM 0 HA GLU A 72 1.499 -6.477 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.381 -8.138 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.019 -7.601 9.705 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.392 -5.318 10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.806 -5.945 10.995 1.00 0.00 H new ATOM 1107 N GLN A 73 4.647 -5.768 7.563 1.00 0.00 N ATOM 1108 CA GLN A 73 5.607 -4.710 7.172 1.00 0.00 C ATOM 1109 C GLN A 73 5.093 -3.847 6.000 1.00 0.00 C ATOM 1110 O GLN A 73 5.378 -2.644 5.918 1.00 0.00 O ATOM 1111 CB GLN A 73 6.963 -5.361 6.793 1.00 0.00 C ATOM 1112 CG GLN A 73 8.049 -4.366 6.328 1.00 0.00 C ATOM 1113 CD GLN A 73 9.391 -5.010 5.977 1.00 0.00 C ATOM 1114 OE1 GLN A 73 10.082 -4.556 5.068 1.00 0.00 O ATOM 1115 NE2 GLN A 73 9.804 -6.019 6.733 1.00 0.00 N ATOM 0 H GLN A 73 5.040 -6.708 7.516 1.00 0.00 H new ATOM 0 HA GLN A 73 5.731 -4.045 8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.339 -5.912 7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.792 -6.088 5.999 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.680 -3.827 5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.209 -3.629 7.115 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.207 -6.374 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.718 -6.440 6.567 1.00 0.00 H new ATOM 1124 N TYR A 74 4.365 -4.486 5.084 1.00 0.00 N ATOM 1125 CA TYR A 74 3.858 -3.822 3.877 1.00 0.00 C ATOM 1126 C TYR A 74 2.362 -3.537 4.010 1.00 0.00 C ATOM 1127 O TYR A 74 1.975 -2.417 4.306 1.00 0.00 O ATOM 1128 CB TYR A 74 4.166 -4.691 2.627 1.00 0.00 C ATOM 1129 CG TYR A 74 5.658 -5.021 2.506 1.00 0.00 C ATOM 1130 CD1 TYR A 74 6.603 -3.996 2.437 1.00 0.00 C ATOM 1131 CD2 TYR A 74 6.123 -6.336 2.504 1.00 0.00 C ATOM 1132 CE1 TYR A 74 7.948 -4.265 2.371 1.00 0.00 C ATOM 1133 CE2 TYR A 74 7.476 -6.609 2.427 1.00 0.00 C ATOM 1134 CZ TYR A 74 8.382 -5.566 2.369 1.00 0.00 C ATOM 1135 OH TYR A 74 9.733 -5.820 2.327 1.00 0.00 O ATOM 0 H TYR A 74 4.110 -5.471 5.154 1.00 0.00 H new ATOM 0 HA TYR A 74 4.363 -2.864 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.594 -5.617 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.838 -4.165 1.731 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.269 -2.969 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 74 5.417 -7.151 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.661 -3.455 2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.824 -7.631 2.412 1.00 0.00 H new ATOM 0 HH TYR A 74 10.153 -5.494 3.150 1.00 0.00 H new ATOM 1145 N PHE A 75 1.553 -4.588 3.865 1.00 0.00 N ATOM 1146 CA PHE A 75 0.096 -4.518 3.657 1.00 0.00 C ATOM 1147 C PHE A 75 -0.691 -3.774 4.779 1.00 0.00 C ATOM 1148 O PHE A 75 -1.766 -3.240 4.482 1.00 0.00 O ATOM 1149 CB PHE A 75 -0.451 -5.952 3.438 1.00 0.00 C ATOM 1150 CG PHE A 75 0.076 -6.646 2.171 1.00 0.00 C ATOM 1151 CD1 PHE A 75 1.321 -7.283 2.159 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.672 -6.656 0.991 1.00 0.00 C ATOM 1153 CE1 PHE A 75 1.797 -7.904 1.015 1.00 0.00 C ATOM 1154 CE2 PHE A 75 -0.196 -7.280 -0.151 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.038 -7.901 -0.138 1.00 0.00 C ATOM 0 H PHE A 75 1.901 -5.546 3.889 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.066 -3.907 2.769 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.195 -6.562 4.305 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.539 -5.909 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.922 -7.291 3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.636 -6.170 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.761 -8.390 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.791 -7.281 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.409 -8.384 -1.030 1.00 0.00 H new ATOM 1165 N VAL A 76 -0.185 -3.719 6.047 1.00 0.00 N ATOM 1166 CA VAL A 76 -0.814 -2.855 7.094 1.00 0.00 C ATOM 1167 C VAL A 76 -0.734 -1.393 6.624 1.00 0.00 C ATOM 1168 O VAL A 76 0.345 -0.920 6.369 1.00 0.00 O ATOM 1169 CB VAL A 76 -0.148 -2.969 8.515 1.00 0.00 C ATOM 1170 CG1 VAL A 76 -0.822 -2.012 9.534 1.00 0.00 C ATOM 1171 CG2 VAL A 76 -0.182 -4.411 9.044 1.00 0.00 C ATOM 0 H VAL A 76 0.630 -4.244 6.362 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.841 -3.200 7.211 1.00 0.00 H new ATOM 0 HB VAL A 76 0.895 -2.673 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.338 -2.116 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.723 -0.983 9.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.878 -2.264 9.626 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.287 -4.449 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.216 -4.746 9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.359 -5.063 8.358 1.00 0.00 H new ATOM 1181 N LEU A 77 -1.874 -0.693 6.557 1.00 0.00 N ATOM 1182 CA LEU A 77 -2.000 0.566 5.793 1.00 0.00 C ATOM 1183 C LEU A 77 -1.073 1.695 6.306 1.00 0.00 C ATOM 1184 O LEU A 77 -0.623 2.521 5.510 1.00 0.00 O ATOM 1185 CB LEU A 77 -3.470 1.035 5.770 1.00 0.00 C ATOM 1186 CG LEU A 77 -4.518 0.002 5.244 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -5.902 0.642 5.084 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -4.056 -0.685 3.940 1.00 0.00 C ATOM 0 H LEU A 77 -2.734 -0.977 7.026 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.673 0.345 4.777 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.753 1.324 6.782 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.534 1.931 5.153 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.601 -0.780 5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.607 -0.103 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.242 1.019 6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.842 1.466 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.817 -1.394 3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.905 0.068 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.120 -1.214 4.119 1.00 0.00 H new ATOM 1200 N LYS A 78 -0.823 1.743 7.632 1.00 0.00 N ATOM 1201 CA LYS A 78 0.152 2.695 8.225 1.00 0.00 C ATOM 1202 C LYS A 78 1.612 2.338 7.842 1.00 0.00 C ATOM 1203 O LYS A 78 2.446 3.232 7.634 1.00 0.00 O ATOM 1204 CB LYS A 78 -0.012 2.757 9.770 1.00 0.00 C ATOM 1205 CG LYS A 78 0.276 1.430 10.506 1.00 0.00 C ATOM 1206 CD LYS A 78 -0.068 1.481 12.005 1.00 0.00 C ATOM 1207 CE LYS A 78 0.242 0.156 12.730 1.00 0.00 C ATOM 1208 NZ LYS A 78 1.698 -0.171 12.725 1.00 0.00 N ATOM 0 H LYS A 78 -1.279 1.137 8.314 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.061 3.681 7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.655 3.525 10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.030 3.071 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.296 0.630 10.036 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.330 1.179 10.390 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.493 2.288 12.476 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.126 1.717 12.123 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.110 0.218 13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.311 -0.653 12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.864 -1.024 13.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.012 -0.341 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.234 0.624 13.127 1.00 0.00 H new ATOM 1222 N ASN A 79 1.910 1.028 7.763 1.00 0.00 N ATOM 1223 CA ASN A 79 3.248 0.512 7.387 1.00 0.00 C ATOM 1224 C ASN A 79 3.488 0.728 5.885 1.00 0.00 C ATOM 1225 O ASN A 79 4.572 1.109 5.463 1.00 0.00 O ATOM 1226 CB ASN A 79 3.364 -1.000 7.742 1.00 0.00 C ATOM 1227 CG ASN A 79 3.282 -1.311 9.243 1.00 0.00 C ATOM 1228 OD1 ASN A 79 2.657 -0.589 10.010 1.00 0.00 O ATOM 1229 ND2 ASN A 79 3.892 -2.406 9.667 1.00 0.00 N ATOM 0 H ASN A 79 1.231 0.292 7.958 1.00 0.00 H new ATOM 0 HA ASN A 79 4.007 1.057 7.948 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.571 -1.543 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.311 -1.379 7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.848 -2.665 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.406 -2.991 9.008 1.00 0.00 H new ATOM 1236 N LEU A 80 2.456 0.415 5.107 1.00 0.00 N ATOM 1237 CA LEU A 80 2.333 0.704 3.675 1.00 0.00 C ATOM 1238 C LEU A 80 2.552 2.193 3.385 1.00 0.00 C ATOM 1239 O LEU A 80 3.243 2.542 2.440 1.00 0.00 O ATOM 1240 CB LEU A 80 0.918 0.273 3.211 1.00 0.00 C ATOM 1241 CG LEU A 80 0.590 0.423 1.702 1.00 0.00 C ATOM 1242 CD1 LEU A 80 1.570 -0.375 0.815 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -0.866 0.015 1.440 1.00 0.00 C ATOM 0 H LEU A 80 1.639 -0.072 5.474 1.00 0.00 H new ATOM 0 HA LEU A 80 3.098 0.150 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.777 -0.772 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.187 0.852 3.775 1.00 0.00 H new ATOM 0 HG LEU A 80 0.712 1.472 1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.303 -0.241 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.586 -0.015 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.514 -1.433 1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.089 0.123 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.012 -1.023 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.533 0.655 2.018 1.00 0.00 H new ATOM 1255 N ALA A 81 1.942 3.048 4.220 1.00 0.00 N ATOM 1256 CA ALA A 81 2.108 4.512 4.140 1.00 0.00 C ATOM 1257 C ALA A 81 3.585 4.905 4.329 1.00 0.00 C ATOM 1258 O ALA A 81 4.058 5.849 3.716 1.00 0.00 O ATOM 1259 CB ALA A 81 1.221 5.210 5.178 1.00 0.00 C ATOM 0 H ALA A 81 1.320 2.747 4.970 1.00 0.00 H new ATOM 0 HA ALA A 81 1.797 4.839 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.356 6.289 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.176 4.961 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.499 4.876 6.178 1.00 0.00 H new ATOM 1265 N ALA A 82 4.296 4.144 5.177 1.00 0.00 N ATOM 1266 CA ALA A 82 5.737 4.345 5.414 1.00 0.00 C ATOM 1267 C ALA A 82 6.570 3.913 4.179 1.00 0.00 C ATOM 1268 O ALA A 82 7.513 4.612 3.782 1.00 0.00 O ATOM 1269 CB ALA A 82 6.176 3.574 6.668 1.00 0.00 C ATOM 0 H ALA A 82 3.893 3.377 5.715 1.00 0.00 H new ATOM 0 HA ALA A 82 5.916 5.408 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.242 3.728 6.835 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.617 3.935 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.981 2.511 6.528 1.00 0.00 H new ATOM 1275 N ARG A 83 6.223 2.741 3.600 1.00 0.00 N ATOM 1276 CA ARG A 83 6.891 2.193 2.393 1.00 0.00 C ATOM 1277 C ARG A 83 6.708 3.123 1.174 1.00 0.00 C ATOM 1278 O ARG A 83 7.655 3.380 0.426 1.00 0.00 O ATOM 1279 CB ARG A 83 6.340 0.774 2.065 1.00 0.00 C ATOM 1280 CG ARG A 83 6.490 -0.279 3.191 1.00 0.00 C ATOM 1281 CD ARG A 83 7.950 -0.497 3.638 1.00 0.00 C ATOM 1282 NE ARG A 83 8.818 -1.009 2.548 1.00 0.00 N ATOM 1283 CZ ARG A 83 10.136 -0.738 2.413 1.00 0.00 C ATOM 1284 NH1 ARG A 83 10.745 0.108 3.234 1.00 0.00 N ATOM 1285 NH2 ARG A 83 10.826 -1.291 1.429 1.00 0.00 N ATOM 0 H ARG A 83 5.473 2.148 3.954 1.00 0.00 H new ATOM 0 HA ARG A 83 7.957 2.123 2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.283 0.863 1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.849 0.403 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.898 0.033 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.078 -1.228 2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.356 0.445 4.007 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.968 -1.200 4.471 1.00 0.00 H new ATOM 0 HE ARG A 83 8.387 -1.612 1.847 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.218 0.564 3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.740 0.303 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.364 -1.921 0.773 1.00 0.00 H new ATOM 0 HH22 ARG A 83 11.820 -1.087 1.326 1.00 0.00 H new ATOM 1299 N ILE A 84 5.482 3.618 0.992 1.00 0.00 N ATOM 1300 CA ILE A 84 5.128 4.533 -0.106 1.00 0.00 C ATOM 1301 C ILE A 84 5.790 5.908 0.114 1.00 0.00 C ATOM 1302 O ILE A 84 6.318 6.483 -0.829 1.00 0.00 O ATOM 1303 CB ILE A 84 3.563 4.654 -0.259 1.00 0.00 C ATOM 1304 CG1 ILE A 84 2.963 3.268 -0.674 1.00 0.00 C ATOM 1305 CG2 ILE A 84 3.143 5.766 -1.258 1.00 0.00 C ATOM 1306 CD1 ILE A 84 1.447 3.215 -0.740 1.00 0.00 C ATOM 0 H ILE A 84 4.698 3.396 1.605 1.00 0.00 H new ATOM 0 HA ILE A 84 5.509 4.123 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 84 3.158 4.947 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.363 2.994 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.307 2.514 0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.056 5.804 -1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.520 6.728 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.558 5.547 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.130 2.215 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.032 3.452 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.089 3.940 -1.471 1.00 0.00 H new ATOM 1318 N ASP A 85 5.757 6.412 1.370 1.00 0.00 N ATOM 1319 CA ASP A 85 6.482 7.655 1.766 1.00 0.00 C ATOM 1320 C ASP A 85 7.977 7.581 1.403 1.00 0.00 C ATOM 1321 O ASP A 85 8.558 8.564 0.953 1.00 0.00 O ATOM 1322 CB ASP A 85 6.329 7.941 3.285 1.00 0.00 C ATOM 1323 CG ASP A 85 6.977 9.273 3.729 1.00 0.00 C ATOM 1324 OD1 ASP A 85 6.319 10.328 3.633 1.00 0.00 O ATOM 1325 OD2 ASP A 85 8.151 9.270 4.174 1.00 0.00 O ATOM 0 H ASP A 85 5.236 5.979 2.133 1.00 0.00 H new ATOM 0 HA ASP A 85 6.028 8.473 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.269 7.959 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.777 7.122 3.848 1.00 0.00 H new ATOM 1330 N GLU A 86 8.577 6.398 1.604 1.00 0.00 N ATOM 1331 CA GLU A 86 9.982 6.134 1.245 1.00 0.00 C ATOM 1332 C GLU A 86 10.206 6.345 -0.268 1.00 0.00 C ATOM 1333 O GLU A 86 11.142 7.043 -0.693 1.00 0.00 O ATOM 1334 CB GLU A 86 10.346 4.685 1.651 1.00 0.00 C ATOM 1335 CG GLU A 86 11.791 4.251 1.344 1.00 0.00 C ATOM 1336 CD GLU A 86 12.079 2.798 1.750 1.00 0.00 C ATOM 1337 OE1 GLU A 86 12.404 2.550 2.934 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.962 1.890 0.895 1.00 0.00 O ATOM 0 H GLU A 86 8.103 5.596 2.020 1.00 0.00 H new ATOM 0 HA GLU A 86 10.627 6.832 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.171 4.572 2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.665 4.002 1.143 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.981 4.369 0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.482 4.912 1.866 1.00 0.00 H new ATOM 1345 N LEU A 87 9.303 5.743 -1.058 1.00 0.00 N ATOM 1346 CA LEU A 87 9.368 5.767 -2.525 1.00 0.00 C ATOM 1347 C LEU A 87 9.098 7.176 -3.104 1.00 0.00 C ATOM 1348 O LEU A 87 9.747 7.568 -4.073 1.00 0.00 O ATOM 1349 CB LEU A 87 8.380 4.728 -3.118 1.00 0.00 C ATOM 1350 CG LEU A 87 8.610 3.238 -2.690 1.00 0.00 C ATOM 1351 CD1 LEU A 87 7.566 2.290 -3.324 1.00 0.00 C ATOM 1352 CD2 LEU A 87 10.058 2.779 -2.993 1.00 0.00 C ATOM 0 H LEU A 87 8.504 5.224 -0.694 1.00 0.00 H new ATOM 0 HA LEU A 87 10.385 5.500 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.368 5.015 -2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.433 4.785 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 87 8.471 3.187 -1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.761 1.267 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.566 2.586 -3.007 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.634 2.348 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.183 1.741 -2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.251 2.865 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.761 3.408 -2.446 1.00 0.00 H new ATOM 1364 N VAL A 88 8.143 7.928 -2.518 1.00 0.00 N ATOM 1365 CA VAL A 88 7.768 9.275 -3.014 1.00 0.00 C ATOM 1366 C VAL A 88 8.821 10.319 -2.608 1.00 0.00 C ATOM 1367 O VAL A 88 9.070 11.274 -3.337 1.00 0.00 O ATOM 1368 CB VAL A 88 6.338 9.742 -2.528 1.00 0.00 C ATOM 1369 CG1 VAL A 88 5.253 8.710 -2.896 1.00 0.00 C ATOM 1370 CG2 VAL A 88 6.298 10.056 -1.012 1.00 0.00 C ATOM 0 H VAL A 88 7.615 7.627 -1.699 1.00 0.00 H new ATOM 0 HA VAL A 88 7.728 9.195 -4.100 1.00 0.00 H new ATOM 0 HB VAL A 88 6.124 10.671 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.282 9.062 -2.547 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.225 8.582 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.484 7.755 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.293 10.372 -0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.568 9.163 -0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.005 10.854 -0.787 1.00 0.00 H new ATOM 1380 N ALA A 89 9.423 10.124 -1.421 1.00 0.00 N ATOM 1381 CA ALA A 89 10.470 11.027 -0.902 1.00 0.00 C ATOM 1382 C ALA A 89 11.744 10.943 -1.757 1.00 0.00 C ATOM 1383 O ALA A 89 12.576 11.844 -1.700 1.00 0.00 O ATOM 1384 CB ALA A 89 10.785 10.716 0.566 1.00 0.00 C ATOM 0 H ALA A 89 9.202 9.346 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 89 10.088 12.046 -0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 89 11.559 11.395 0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.884 10.844 1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.136 9.688 0.653 1.00 0.00 H new ATOM 1390 N ALA A 90 11.904 9.822 -2.491 1.00 0.00 N ATOM 1391 CA ALA A 90 13.003 9.641 -3.463 1.00 0.00 C ATOM 1392 C ALA A 90 13.078 10.794 -4.488 1.00 0.00 C ATOM 1393 O ALA A 90 14.124 11.437 -4.595 1.00 0.00 O ATOM 1394 CB ALA A 90 12.884 8.284 -4.168 1.00 0.00 C ATOM 0 H ALA A 90 11.278 9.020 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 90 13.936 9.660 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.702 8.170 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.932 7.484 -3.429 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.933 8.231 -4.698 1.00 0.00 H new ATOM 1400 N LYS A 91 11.959 11.075 -5.205 1.00 0.00 N ATOM 1401 CA LYS A 91 11.921 12.151 -6.239 1.00 0.00 C ATOM 1402 C LYS A 91 12.218 13.534 -5.594 1.00 0.00 C ATOM 1403 O LYS A 91 12.879 14.386 -6.197 1.00 0.00 O ATOM 1404 CB LYS A 91 10.538 12.175 -6.982 1.00 0.00 C ATOM 1405 CG LYS A 91 9.352 12.661 -6.113 1.00 0.00 C ATOM 1406 CD LYS A 91 7.962 12.659 -6.799 1.00 0.00 C ATOM 1407 CE LYS A 91 7.268 11.279 -6.849 1.00 0.00 C ATOM 1408 NZ LYS A 91 7.829 10.388 -7.885 1.00 0.00 N ATOM 0 H LYS A 91 11.076 10.578 -5.090 1.00 0.00 H new ATOM 0 HA LYS A 91 12.694 11.937 -6.977 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.620 12.821 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.318 11.172 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.297 12.033 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.567 13.675 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 7.312 13.359 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.074 13.031 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.359 10.797 -5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.204 11.420 -7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.055 9.969 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.449 10.936 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.379 9.631 -7.431 1.00 0.00 H new ATOM 1422 N GLY A 92 11.697 13.730 -4.361 1.00 0.00 N ATOM 1423 CA GLY A 92 11.925 14.943 -3.573 1.00 0.00 C ATOM 1424 C GLY A 92 13.347 15.099 -3.048 1.00 0.00 C ATOM 1425 O GLY A 92 13.847 16.221 -2.939 1.00 0.00 O ATOM 0 H GLY A 92 11.106 13.044 -3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.681 15.810 -4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 92 11.237 14.946 -2.728 1.00 0.00 H new ATOM 1429 N ALA A 93 13.998 13.968 -2.741 1.00 0.00 N ATOM 1430 CA ALA A 93 15.369 13.945 -2.181 1.00 0.00 C ATOM 1431 C ALA A 93 16.386 14.282 -3.281 1.00 0.00 C ATOM 1432 O ALA A 93 17.400 14.947 -3.034 1.00 0.00 O ATOM 1433 CB ALA A 93 15.682 12.574 -1.570 1.00 0.00 C ATOM 0 H ALA A 93 13.594 13.040 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 93 15.436 14.693 -1.391 1.00 0.00 H new ATOM 0 HB1 ALA A 93 16.694 12.579 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.972 12.361 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 93 15.603 11.806 -2.340 1.00 0.00 H new ATOM 1439 N LEU A 94 16.078 13.806 -4.501 1.00 0.00 N ATOM 1440 CA LEU A 94 16.830 14.147 -5.716 1.00 0.00 C ATOM 1441 C LEU A 94 16.511 15.606 -6.125 1.00 0.00 C ATOM 1442 O LEU A 94 17.388 16.324 -6.622 1.00 0.00 O ATOM 1443 CB LEU A 94 16.449 13.171 -6.866 1.00 0.00 C ATOM 1444 CG LEU A 94 16.604 11.646 -6.555 1.00 0.00 C ATOM 1445 CD1 LEU A 94 16.082 10.778 -7.721 1.00 0.00 C ATOM 1446 CD2 LEU A 94 18.060 11.285 -6.179 1.00 0.00 C ATOM 0 H LEU A 94 15.297 13.172 -4.669 1.00 0.00 H new ATOM 0 HA LEU A 94 17.898 14.055 -5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 94 15.413 13.360 -7.147 1.00 0.00 H new ATOM 0 HB3 LEU A 94 17.063 13.408 -7.735 1.00 0.00 H new ATOM 0 HG LEU A 94 15.986 11.426 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.204 9.724 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 94 15.026 10.991 -7.889 1.00 0.00 H new ATOM 0 HD13 LEU A 94 16.647 11.006 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 94 18.128 10.217 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 94 18.722 11.535 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 94 18.357 11.848 -5.294 1.00 0.00 H new ATOM 1458 N GLU A 95 15.228 16.001 -5.881 1.00 0.00 N ATOM 1459 CA GLU A 95 14.630 17.309 -6.254 1.00 0.00 C ATOM 1460 C GLU A 95 14.431 17.397 -7.787 1.00 0.00 C ATOM 1461 O GLU A 95 13.303 17.571 -8.274 1.00 0.00 O ATOM 1462 CB GLU A 95 15.430 18.509 -5.664 1.00 0.00 C ATOM 1463 CG GLU A 95 14.890 19.914 -6.016 1.00 0.00 C ATOM 1464 CD GLU A 95 13.398 20.115 -5.679 1.00 0.00 C ATOM 1465 OE1 GLU A 95 13.030 20.083 -4.479 1.00 0.00 O ATOM 1466 OE2 GLU A 95 12.578 20.281 -6.610 1.00 0.00 O ATOM 0 H GLU A 95 14.563 15.394 -5.403 1.00 0.00 H new ATOM 0 HA GLU A 95 13.641 17.376 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 95 15.450 18.409 -4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.461 18.439 -6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.476 20.662 -5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.039 20.093 -7.081 1.00 0.00 H new ATOM 1473 N HIS A 96 15.548 17.287 -8.523 1.00 0.00 N ATOM 1474 CA HIS A 96 15.566 17.027 -9.970 1.00 0.00 C ATOM 1475 C HIS A 96 14.866 15.684 -10.272 1.00 0.00 C ATOM 1476 O HIS A 96 15.307 14.631 -9.796 1.00 0.00 O ATOM 1477 CB HIS A 96 17.038 17.002 -10.469 1.00 0.00 C ATOM 1478 CG HIS A 96 17.221 16.590 -11.907 1.00 0.00 C ATOM 1479 ND1 HIS A 96 17.550 15.306 -12.280 1.00 0.00 N ATOM 1480 CD2 HIS A 96 17.155 17.306 -13.053 1.00 0.00 C ATOM 1481 CE1 HIS A 96 17.678 15.248 -13.588 1.00 0.00 C ATOM 1482 NE2 HIS A 96 17.439 16.445 -14.081 1.00 0.00 N ATOM 0 H HIS A 96 16.481 17.378 -8.121 1.00 0.00 H new ATOM 0 HA HIS A 96 15.028 17.819 -10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 96 17.467 17.995 -10.335 1.00 0.00 H new ATOM 0 HB3 HIS A 96 17.608 16.320 -9.837 1.00 0.00 H new ATOM 0 HD2 HIS A 96 16.923 18.357 -13.141 1.00 0.00 H new ATOM 0 HE1 HIS A 96 17.935 14.369 -14.160 1.00 0.00 H new ATOM 0 HE2 HIS A 96 17.462 16.692 -15.070 1.00 0.00 H new ATOM 1491 N HIS A 97 13.759 15.746 -11.029 1.00 0.00 N ATOM 1492 CA HIS A 97 13.023 14.553 -11.493 1.00 0.00 C ATOM 1493 C HIS A 97 13.905 13.709 -12.441 1.00 0.00 C ATOM 1494 O HIS A 97 14.709 14.258 -13.204 1.00 0.00 O ATOM 1495 CB HIS A 97 11.683 14.959 -12.169 1.00 0.00 C ATOM 1496 CG HIS A 97 11.800 15.757 -13.452 1.00 0.00 C ATOM 1497 ND1 HIS A 97 11.185 15.389 -14.630 1.00 0.00 N ATOM 1498 CD2 HIS A 97 12.425 16.930 -13.720 1.00 0.00 C ATOM 1499 CE1 HIS A 97 11.432 16.293 -15.560 1.00 0.00 C ATOM 1500 NE2 HIS A 97 12.180 17.238 -15.032 1.00 0.00 N ATOM 0 H HIS A 97 13.346 16.626 -11.339 1.00 0.00 H new ATOM 0 HA HIS A 97 12.779 13.936 -10.628 1.00 0.00 H new ATOM 0 HB2 HIS A 97 11.116 14.052 -12.379 1.00 0.00 H new ATOM 0 HB3 HIS A 97 11.101 15.541 -11.455 1.00 0.00 H new ATOM 0 HD2 HIS A 97 13.010 17.515 -13.025 1.00 0.00 H new ATOM 0 HE1 HIS A 97 11.080 16.262 -16.581 1.00 0.00 H new ATOM 0 HE2 HIS A 97 12.522 18.066 -15.520 1.00 0.00 H new ATOM 1509 N HIS A 98 13.735 12.379 -12.387 1.00 0.00 N ATOM 1510 CA HIS A 98 14.606 11.414 -13.095 1.00 0.00 C ATOM 1511 C HIS A 98 13.930 10.853 -14.365 1.00 0.00 C ATOM 1512 O HIS A 98 14.193 9.708 -14.751 1.00 0.00 O ATOM 1513 CB HIS A 98 15.024 10.265 -12.125 1.00 0.00 C ATOM 1514 CG HIS A 98 13.882 9.446 -11.572 1.00 0.00 C ATOM 1515 ND1 HIS A 98 13.180 8.521 -12.320 1.00 0.00 N ATOM 1516 CD2 HIS A 98 13.331 9.419 -10.337 1.00 0.00 C ATOM 1517 CE1 HIS A 98 12.248 7.967 -11.572 1.00 0.00 C ATOM 1518 NE2 HIS A 98 12.320 8.493 -10.367 1.00 0.00 N ATOM 0 H HIS A 98 12.989 11.936 -11.851 1.00 0.00 H new ATOM 0 HA HIS A 98 15.501 11.942 -13.422 1.00 0.00 H new ATOM 0 HB2 HIS A 98 15.708 9.598 -12.650 1.00 0.00 H new ATOM 0 HB3 HIS A 98 15.577 10.698 -11.291 1.00 0.00 H new ATOM 0 HD1 HIS A 98 13.356 8.301 -13.300 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.631 10.015 -9.487 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.546 7.211 -11.892 1.00 0.00 H new ATOM 1527 N HIS A 99 13.096 11.672 -15.039 1.00 0.00 N ATOM 1528 CA HIS A 99 12.402 11.263 -16.288 1.00 0.00 C ATOM 1529 C HIS A 99 13.380 11.337 -17.492 1.00 0.00 C ATOM 1530 O HIS A 99 13.362 12.284 -18.292 1.00 0.00 O ATOM 1531 CB HIS A 99 11.135 12.124 -16.526 1.00 0.00 C ATOM 1532 CG HIS A 99 10.266 11.671 -17.682 1.00 0.00 C ATOM 1533 ND1 HIS A 99 10.467 12.075 -18.987 1.00 0.00 N ATOM 1534 CD2 HIS A 99 9.182 10.860 -17.713 1.00 0.00 C ATOM 1535 CE1 HIS A 99 9.546 11.536 -19.764 1.00 0.00 C ATOM 1536 NE2 HIS A 99 8.754 10.793 -19.016 1.00 0.00 N ATOM 0 H HIS A 99 12.883 12.624 -14.742 1.00 0.00 H new ATOM 0 HA HIS A 99 12.073 10.229 -16.184 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.535 12.121 -15.616 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.442 13.155 -16.703 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.736 10.358 -16.867 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.456 11.679 -20.831 1.00 0.00 H new ATOM 0 HE2 HIS A 99 7.954 10.256 -19.351 1.00 0.00 H new ATOM 1545 N HIS A 100 14.274 10.345 -17.531 1.00 0.00 N ATOM 1546 CA HIS A 100 15.248 10.102 -18.611 1.00 0.00 C ATOM 1547 C HIS A 100 15.761 8.648 -18.480 1.00 0.00 C ATOM 1548 O HIS A 100 16.783 8.268 -19.066 1.00 0.00 O ATOM 1549 CB HIS A 100 16.412 11.142 -18.575 1.00 0.00 C ATOM 1550 CG HIS A 100 17.173 11.208 -17.274 1.00 0.00 C ATOM 1551 ND1 HIS A 100 16.772 11.984 -16.207 1.00 0.00 N ATOM 1552 CD2 HIS A 100 18.314 10.591 -16.876 1.00 0.00 C ATOM 1553 CE1 HIS A 100 17.632 11.847 -15.214 1.00 0.00 C ATOM 1554 NE2 HIS A 100 18.575 11.011 -15.595 1.00 0.00 N ATOM 0 H HIS A 100 14.346 9.657 -16.781 1.00 0.00 H new ATOM 0 HA HIS A 100 14.767 10.228 -19.581 1.00 0.00 H new ATOM 0 HB2 HIS A 100 17.113 10.907 -19.376 1.00 0.00 H new ATOM 0 HB3 HIS A 100 16.003 12.129 -18.789 1.00 0.00 H new ATOM 0 HD2 HIS A 100 18.906 9.900 -17.457 1.00 0.00 H new ATOM 0 HE1 HIS A 100 17.572 12.337 -14.253 1.00 0.00 H new ATOM 0 HE2 HIS A 100 19.372 10.721 -15.029 1.00 0.00 H new ATOM 1563 N HIS A 101 14.985 7.838 -17.724 1.00 0.00 N ATOM 1564 CA HIS A 101 15.298 6.442 -17.398 1.00 0.00 C ATOM 1565 C HIS A 101 14.620 5.522 -18.451 1.00 0.00 C ATOM 1566 O HIS A 101 13.447 5.127 -18.253 1.00 0.00 O ATOM 1567 CB HIS A 101 14.801 6.137 -15.946 1.00 0.00 C ATOM 1568 CG HIS A 101 15.158 4.772 -15.426 1.00 0.00 C ATOM 1569 ND1 HIS A 101 14.336 3.677 -15.563 1.00 0.00 N ATOM 1570 CD2 HIS A 101 16.238 4.342 -14.734 1.00 0.00 C ATOM 1571 CE1 HIS A 101 14.892 2.637 -14.973 1.00 0.00 C ATOM 1572 NE2 HIS A 101 16.045 3.013 -14.461 1.00 0.00 N ATOM 1573 OXT HIS A 101 15.241 5.249 -19.499 1.00 0.00 O ATOM 0 H HIS A 101 14.104 8.152 -17.317 1.00 0.00 H new ATOM 0 HA HIS A 101 16.372 6.259 -17.429 1.00 0.00 H new ATOM 0 HB2 HIS A 101 15.215 6.886 -15.271 1.00 0.00 H new ATOM 0 HB3 HIS A 101 13.717 6.248 -15.918 1.00 0.00 H new ATOM 0 HD2 HIS A 101 17.094 4.936 -14.449 1.00 0.00 H new ATOM 0 HE1 HIS A 101 14.472 1.644 -14.919 1.00 0.00 H new ATOM 0 HE2 HIS A 101 16.689 2.413 -13.945 1.00 0.00 H new TER 1582 HIS A 101