USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 731 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 44 SER OG : rot -80:sc= -0.728 USER MOD Set 1.2: A 66 SER OG : rot 100:sc= -2.4 USER MOD Set 1.3: A 70 MET CE :methyl -109:sc= -0.104 (180deg=-1.73!) USER MOD Set 2.1: A 51 HIS : no HD1:sc= -4.74! C(o=-8.3!,f=-9.1!) USER MOD Set 2.2: A 54 HIS : no HD1:sc= -3.52 K(o=-8.3,f=-10!) USER MOD Set 3.1: A 10 THR OG1 : rot 101:sc= -2.39 USER MOD Set 3.2: A 81 MET CE :methyl -120:sc= -4.25 (180deg=-7.89!) USER MOD Set 4.1: A 6 SER OG : rot 155:sc= -1.94 USER MOD Set 4.2: A 57 MET CE :methyl 139:sc= -6.21 (180deg=-6.22!) USER MOD Set 5.1: A 4 SER OG : rot 120:sc= 0.378 USER MOD Set 5.2: A 71 GLN : amide:sc= -1.76! C(o=-1.4!,f=-0.95!) USER MOD Single : A 1 MET CE :methyl 145:sc= -0.607 (180deg=-2.34!) USER MOD Single : A 1 MET N :NH3+ 169:sc= -1.31 (180deg=-1.68) USER MOD Single : A 5 THR OG1 : rot 8:sc= 0.371 USER MOD Single : A 7 HIS :FLIP no HD1:sc= -1.32 F(o=-2.4!,f=-1.3) USER MOD Single : A 12 SER OG : rot -62:sc= 1.08 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -4.98! C(o=-5.8!,f=-5!) USER MOD Single : A 21 CYS SG : rot -113:sc= 0.133 USER MOD Single : A 22 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0135) USER MOD Single : A 23 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=0.0018) USER MOD Single : A 26 HIS : no HD1:sc= -0.334 X(o=-0.33,f=-0.089) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -5.72! C(o=-6.9!,f=-5.7!) USER MOD Single : A 46 CYS SG : rot 110:sc= -2.24 USER MOD Single : A 60 ASN : amide:sc= -1.82 K(o=-1.8,f=-6!) USER MOD Single : A 61 SER OG : rot -151:sc= -5.67! USER MOD Single : A 69 HIS : no HD1:sc= -0.0869 X(o=-0.087,f=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 77 HIS : no HD1:sc= -3.15 K(o=-3.1,f=-4.1!) USER MOD Single : A 79 GLN :FLIP amide:sc= -0.564 F(o=-1.6,f=-0.56) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 100:sc= 1.27 USER MOD Single : A 86 SER OG : rot 59:sc= 0.0353 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.208 15.485 -5.813 1.00 0.00 N ATOM 2 CA MET A 1 6.757 14.563 -4.736 1.00 0.00 C ATOM 3 C MET A 1 5.314 14.840 -4.332 1.00 0.00 C ATOM 4 O MET A 1 5.032 15.670 -3.468 1.00 0.00 O ATOM 5 CB MET A 1 7.701 14.695 -3.540 1.00 0.00 C ATOM 6 CG MET A 1 7.665 16.058 -2.868 1.00 0.00 C ATOM 7 SD MET A 1 9.146 17.035 -3.191 1.00 0.00 S ATOM 8 CE MET A 1 8.522 18.208 -4.392 1.00 0.00 C ATOM 0 H1 MET A 1 8.237 15.399 -5.935 1.00 0.00 H new ATOM 0 H2 MET A 1 6.732 15.238 -6.704 1.00 0.00 H new ATOM 0 H3 MET A 1 6.971 16.464 -5.554 1.00 0.00 H new ATOM 0 HA MET A 1 6.788 13.539 -5.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.446 13.932 -2.804 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.720 14.492 -3.871 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.790 16.607 -3.216 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.550 15.925 -1.792 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.008 19.173 -4.245 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.732 17.845 -5.398 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.445 18.321 -4.265 1.00 0.00 H new ATOM 17 N PHE A 2 4.407 14.117 -4.968 1.00 0.00 N ATOM 18 CA PHE A 2 2.978 14.244 -4.697 1.00 0.00 C ATOM 19 C PHE A 2 2.546 13.135 -3.741 1.00 0.00 C ATOM 20 O PHE A 2 3.325 12.220 -3.471 1.00 0.00 O ATOM 21 CB PHE A 2 2.173 14.178 -6.005 1.00 0.00 C ATOM 22 CG PHE A 2 2.964 14.545 -7.231 1.00 0.00 C ATOM 23 CD1 PHE A 2 3.414 15.844 -7.416 1.00 0.00 C ATOM 24 CD2 PHE A 2 3.251 13.596 -8.199 1.00 0.00 C ATOM 25 CE1 PHE A 2 4.135 16.188 -8.543 1.00 0.00 C ATOM 26 CE2 PHE A 2 3.971 13.936 -9.327 1.00 0.00 C ATOM 27 CZ PHE A 2 4.414 15.233 -9.500 1.00 0.00 C ATOM 0 H PHE A 2 4.635 13.428 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 2 2.784 15.211 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 2 1.781 13.168 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 2 1.315 14.846 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 2 3.198 16.595 -6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 2 2.908 12.580 -8.070 1.00 0.00 H new ATOM 0 HE1 PHE A 2 4.480 17.203 -8.675 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.188 13.187 -10.075 1.00 0.00 H new ATOM 0 HZ PHE A 2 4.977 15.499 -10.382 1.00 0.00 H new ATOM 37 N ARG A 3 1.321 13.201 -3.220 1.00 0.00 N ATOM 38 CA ARG A 3 0.866 12.164 -2.296 1.00 0.00 C ATOM 39 C ARG A 3 -0.642 11.917 -2.388 1.00 0.00 C ATOM 40 O ARG A 3 -1.448 12.833 -2.219 1.00 0.00 O ATOM 41 CB ARG A 3 1.258 12.501 -0.849 1.00 0.00 C ATOM 42 CG ARG A 3 2.061 11.398 -0.182 1.00 0.00 C ATOM 43 CD ARG A 3 3.534 11.760 -0.063 1.00 0.00 C ATOM 44 NE ARG A 3 4.012 11.663 1.314 1.00 0.00 N ATOM 45 CZ ARG A 3 3.799 12.596 2.240 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.118 13.695 1.940 1.00 0.00 N ATOM 47 NH2 ARG A 3 4.268 12.428 3.469 1.00 0.00 N ATOM 0 H ARG A 3 0.644 13.938 -3.414 1.00 0.00 H new ATOM 0 HA ARG A 3 1.368 11.244 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 3 1.840 13.423 -0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.355 12.689 -0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 3 1.654 11.202 0.810 1.00 0.00 H new ATOM 0 HG3 ARG A 3 1.959 10.477 -0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 3 4.122 11.098 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.689 12.775 -0.430 1.00 0.00 H new ATOM 0 HE ARG A 3 4.540 10.832 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.755 13.828 0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.958 14.406 2.653 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.791 11.585 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.105 13.142 4.179 1.00 0.00 H new ATOM 61 N SER A 4 -1.003 10.656 -2.631 1.00 0.00 N ATOM 62 CA SER A 4 -2.396 10.229 -2.726 1.00 0.00 C ATOM 63 C SER A 4 -2.697 9.253 -1.597 1.00 0.00 C ATOM 64 O SER A 4 -1.775 8.704 -0.992 1.00 0.00 O ATOM 65 CB SER A 4 -2.661 9.552 -4.079 1.00 0.00 C ATOM 66 OG SER A 4 -3.628 8.522 -3.959 1.00 0.00 O ATOM 0 H SER A 4 -0.332 9.900 -2.768 1.00 0.00 H new ATOM 0 HA SER A 4 -3.042 11.103 -2.644 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.005 10.295 -4.799 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.731 9.137 -4.469 1.00 0.00 H new ATOM 0 HG SER A 4 -4.394 8.724 -4.536 1.00 0.00 H new ATOM 72 N THR A 5 -3.973 9.027 -1.309 1.00 0.00 N ATOM 73 CA THR A 5 -4.325 8.100 -0.242 1.00 0.00 C ATOM 74 C THR A 5 -5.612 7.334 -0.535 1.00 0.00 C ATOM 75 O THR A 5 -6.658 7.928 -0.797 1.00 0.00 O ATOM 76 CB THR A 5 -4.450 8.834 1.100 1.00 0.00 C ATOM 77 OG1 THR A 5 -5.616 9.637 1.122 1.00 0.00 O ATOM 78 CG2 THR A 5 -3.272 9.734 1.436 1.00 0.00 C ATOM 0 H THR A 5 -4.763 9.461 -1.786 1.00 0.00 H new ATOM 0 HA THR A 5 -3.515 7.373 -0.183 1.00 0.00 H new ATOM 0 HB THR A 5 -4.488 8.039 1.845 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.153 9.456 0.323 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.443 10.213 2.400 1.00 0.00 H new ATOM 0 HG22 THR A 5 -2.361 9.138 1.484 1.00 0.00 H new ATOM 0 HG23 THR A 5 -3.166 10.497 0.665 1.00 0.00 H new ATOM 86 N SER A 6 -5.526 6.005 -0.466 1.00 0.00 N ATOM 87 CA SER A 6 -6.684 5.145 -0.700 1.00 0.00 C ATOM 88 C SER A 6 -7.171 4.526 0.613 1.00 0.00 C ATOM 89 O SER A 6 -6.371 4.029 1.406 1.00 0.00 O ATOM 90 CB SER A 6 -6.335 4.039 -1.699 1.00 0.00 C ATOM 91 OG SER A 6 -7.486 3.295 -2.059 1.00 0.00 O ATOM 0 H SER A 6 -4.666 5.502 -0.250 1.00 0.00 H new ATOM 0 HA SER A 6 -7.484 5.758 -1.116 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.888 4.478 -2.591 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.589 3.374 -1.264 1.00 0.00 H new ATOM 0 HG SER A 6 -7.352 2.892 -2.942 1.00 0.00 H new ATOM 97 N HIS A 7 -8.484 4.561 0.839 1.00 0.00 N ATOM 98 CA HIS A 7 -9.070 4.003 2.062 1.00 0.00 C ATOM 99 C HIS A 7 -10.051 2.872 1.741 1.00 0.00 C ATOM 100 O HIS A 7 -10.926 3.024 0.889 1.00 0.00 O ATOM 101 CB HIS A 7 -9.781 5.101 2.860 1.00 0.00 C ATOM 102 CG HIS A 7 -10.375 4.626 4.151 1.00 0.00 C ATOM 103 ND1 HIS A 7 -11.157 3.555 4.430 1.00 0.00 N flip ATOM 104 CD2 HIS A 7 -10.191 5.284 5.350 1.00 0.00 C flip ATOM 105 CE1 HIS A 7 -11.425 3.587 5.777 1.00 0.00 C flip ATOM 106 NE2 HIS A 7 -10.831 4.638 6.308 1.00 0.00 N flip ATOM 0 H HIS A 7 -9.162 4.968 0.195 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.259 3.591 2.663 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.071 5.901 3.071 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.571 5.530 2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -9.614 6.187 5.484 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.025 2.868 6.314 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.861 4.906 7.292 1.00 0.00 H new ATOM 115 N VAL A 8 -9.896 1.737 2.427 1.00 0.00 N ATOM 116 CA VAL A 8 -10.766 0.582 2.210 1.00 0.00 C ATOM 117 C VAL A 8 -11.110 -0.102 3.530 1.00 0.00 C ATOM 118 O VAL A 8 -10.333 -0.040 4.483 1.00 0.00 O ATOM 119 CB VAL A 8 -10.107 -0.457 1.277 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.158 -1.341 0.619 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.243 0.225 0.225 1.00 0.00 C ATOM 0 H VAL A 8 -9.177 1.595 3.136 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.675 0.960 1.743 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.462 -1.091 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.669 -2.064 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.722 -1.869 1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.837 -0.723 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.791 -0.529 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.861 0.892 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.458 0.801 0.716 1.00 0.00 H new ATOM 131 N ARG A 9 -12.257 -0.780 3.583 1.00 0.00 N ATOM 132 CA ARG A 9 -12.639 -1.490 4.805 1.00 0.00 C ATOM 133 C ARG A 9 -12.299 -2.975 4.672 1.00 0.00 C ATOM 134 O ARG A 9 -12.971 -3.715 3.954 1.00 0.00 O ATOM 135 CB ARG A 9 -14.135 -1.319 5.112 1.00 0.00 C ATOM 136 CG ARG A 9 -14.424 -0.190 6.088 1.00 0.00 C ATOM 137 CD ARG A 9 -14.180 1.171 5.457 1.00 0.00 C ATOM 138 NE ARG A 9 -15.109 2.181 5.958 1.00 0.00 N ATOM 139 CZ ARG A 9 -15.356 3.334 5.340 1.00 0.00 C ATOM 140 NH1 ARG A 9 -14.744 3.627 4.199 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.217 4.195 5.863 1.00 0.00 N ATOM 0 H ARG A 9 -12.924 -0.853 2.815 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.076 -1.060 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -14.670 -1.131 4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -14.524 -2.252 5.521 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.459 -0.255 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -13.794 -0.301 6.970 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.157 1.487 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -14.280 1.092 4.374 1.00 0.00 H new ATOM 0 HE ARG A 9 -15.597 1.992 6.833 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.081 2.967 3.792 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.937 4.512 3.729 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.690 3.974 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.406 5.078 5.389 1.00 0.00 H new ATOM 155 N THR A 10 -11.242 -3.398 5.365 1.00 0.00 N ATOM 156 CA THR A 10 -10.795 -4.790 5.326 1.00 0.00 C ATOM 157 C THR A 10 -10.587 -5.353 6.736 1.00 0.00 C ATOM 158 O THR A 10 -10.351 -4.602 7.674 1.00 0.00 O ATOM 159 CB THR A 10 -9.513 -4.901 4.497 1.00 0.00 C ATOM 160 OG1 THR A 10 -9.679 -5.841 3.451 1.00 0.00 O ATOM 161 CG2 THR A 10 -8.302 -5.317 5.297 1.00 0.00 C ATOM 0 H THR A 10 -10.678 -2.794 5.962 1.00 0.00 H new ATOM 0 HA THR A 10 -11.574 -5.388 4.853 1.00 0.00 H new ATOM 0 HB THR A 10 -9.336 -3.897 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.850 -5.368 2.610 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.434 -5.373 4.640 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.116 -4.585 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 10 -8.481 -6.294 5.747 1.00 0.00 H new ATOM 169 N GLU A 11 -10.650 -6.674 6.878 1.00 0.00 N ATOM 170 CA GLU A 11 -10.443 -7.309 8.181 1.00 0.00 C ATOM 171 C GLU A 11 -9.071 -7.993 8.265 1.00 0.00 C ATOM 172 O GLU A 11 -8.576 -8.531 7.275 1.00 0.00 O ATOM 173 CB GLU A 11 -11.552 -8.324 8.448 1.00 0.00 C ATOM 174 CG GLU A 11 -12.391 -7.982 9.665 1.00 0.00 C ATOM 175 CD GLU A 11 -13.880 -8.009 9.378 1.00 0.00 C ATOM 176 OE1 GLU A 11 -14.323 -8.900 8.623 1.00 0.00 O ATOM 177 OE2 GLU A 11 -14.602 -7.139 9.907 1.00 0.00 O ATOM 0 H GLU A 11 -10.841 -7.323 6.115 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.473 -6.529 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.199 -8.385 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.109 -9.310 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.167 -8.687 10.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.113 -6.992 10.026 1.00 0.00 H new ATOM 184 N SER A 12 -8.463 -7.971 9.460 1.00 0.00 N ATOM 185 CA SER A 12 -7.155 -8.591 9.675 1.00 0.00 C ATOM 186 C SER A 12 -6.095 -7.982 8.762 1.00 0.00 C ATOM 187 O SER A 12 -5.100 -8.622 8.423 1.00 0.00 O ATOM 188 CB SER A 12 -7.243 -10.099 9.460 1.00 0.00 C ATOM 189 OG SER A 12 -5.956 -10.690 9.422 1.00 0.00 O ATOM 0 H SER A 12 -8.859 -7.530 10.290 1.00 0.00 H new ATOM 0 HA SER A 12 -6.856 -8.399 10.705 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.829 -10.549 10.262 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.768 -10.305 8.527 1.00 0.00 H new ATOM 0 HG SER A 12 -5.451 -10.327 8.665 1.00 0.00 H new ATOM 195 N ALA A 13 -6.325 -6.738 8.373 1.00 0.00 N ATOM 196 CA ALA A 13 -5.404 -6.008 7.495 1.00 0.00 C ATOM 197 C ALA A 13 -3.957 -6.042 7.983 1.00 0.00 C ATOM 198 O ALA A 13 -3.042 -6.359 7.222 1.00 0.00 O ATOM 199 CB ALA A 13 -5.846 -4.565 7.370 1.00 0.00 C ATOM 0 H ALA A 13 -7.148 -6.203 8.651 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.436 -6.509 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.158 -4.029 6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.850 -4.527 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.849 -4.099 8.355 1.00 0.00 H new ATOM 205 N ALA A 14 -3.753 -5.661 9.236 1.00 0.00 N ATOM 206 CA ALA A 14 -2.409 -5.585 9.824 1.00 0.00 C ATOM 207 C ALA A 14 -1.502 -6.763 9.451 1.00 0.00 C ATOM 208 O ALA A 14 -0.279 -6.619 9.440 1.00 0.00 O ATOM 209 CB ALA A 14 -2.520 -5.444 11.330 1.00 0.00 C ATOM 0 H ALA A 14 -4.503 -5.396 9.875 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.928 -4.703 9.400 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.522 -5.388 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.072 -4.536 11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.046 -6.307 11.738 1.00 0.00 H new ATOM 215 N ARG A 15 -2.080 -7.919 9.148 1.00 0.00 N ATOM 216 CA ARG A 15 -1.280 -9.089 8.783 1.00 0.00 C ATOM 217 C ARG A 15 -0.828 -9.021 7.335 1.00 0.00 C ATOM 218 O ARG A 15 0.310 -9.365 7.016 1.00 0.00 O ATOM 219 CB ARG A 15 -2.075 -10.377 9.016 1.00 0.00 C ATOM 220 CG ARG A 15 -1.224 -11.625 9.230 1.00 0.00 C ATOM 221 CD ARG A 15 0.138 -11.553 8.544 1.00 0.00 C ATOM 222 NE ARG A 15 1.000 -12.667 8.937 1.00 0.00 N ATOM 223 CZ ARG A 15 1.792 -12.653 10.008 1.00 0.00 C ATOM 224 NH1 ARG A 15 1.830 -11.591 10.804 1.00 0.00 N ATOM 225 NH2 ARG A 15 2.545 -13.708 10.287 1.00 0.00 N ATOM 0 H ARG A 15 -3.088 -8.074 9.146 1.00 0.00 H new ATOM 0 HA ARG A 15 -0.395 -9.093 9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.717 -10.239 9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.729 -10.543 8.160 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.077 -11.777 10.299 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.766 -12.494 8.856 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.002 -11.562 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.623 -10.610 8.796 1.00 0.00 H new ATOM 0 HE ARG A 15 0.994 -13.505 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.250 -10.778 10.597 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.439 -11.588 11.622 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.517 -14.529 9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.152 -13.699 11.107 1.00 0.00 H new ATOM 239 N TYR A 16 -1.707 -8.568 6.458 1.00 0.00 N ATOM 240 CA TYR A 16 -1.353 -8.463 5.052 1.00 0.00 C ATOM 241 C TYR A 16 -0.256 -7.421 4.871 1.00 0.00 C ATOM 242 O TYR A 16 0.507 -7.493 3.916 1.00 0.00 O ATOM 243 CB TYR A 16 -2.574 -8.136 4.181 1.00 0.00 C ATOM 244 CG TYR A 16 -3.728 -9.133 4.270 1.00 0.00 C ATOM 245 CD1 TYR A 16 -3.553 -10.457 4.694 1.00 0.00 C ATOM 246 CD2 TYR A 16 -5.015 -8.734 3.927 1.00 0.00 C ATOM 247 CE1 TYR A 16 -4.623 -11.329 4.771 1.00 0.00 C ATOM 248 CE2 TYR A 16 -6.084 -9.605 4.002 1.00 0.00 C ATOM 249 CZ TYR A 16 -5.883 -10.899 4.425 1.00 0.00 C ATOM 250 OH TYR A 16 -6.948 -11.767 4.502 1.00 0.00 O ATOM 0 H TYR A 16 -2.655 -8.271 6.688 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.978 -9.432 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -2.945 -7.150 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.251 -8.072 3.142 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.566 -10.802 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.182 -7.720 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.470 -12.346 5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.075 -9.272 3.730 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.767 -11.306 4.224 1.00 0.00 H new ATOM 260 N VAL A 17 -0.152 -6.476 5.812 1.00 0.00 N ATOM 261 CA VAL A 17 0.897 -5.459 5.747 1.00 0.00 C ATOM 262 C VAL A 17 2.216 -6.052 6.226 1.00 0.00 C ATOM 263 O VAL A 17 3.257 -5.863 5.596 1.00 0.00 O ATOM 264 CB VAL A 17 0.557 -4.190 6.578 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.811 -3.436 7.019 1.00 0.00 C ATOM 266 CG2 VAL A 17 -0.316 -3.258 5.773 1.00 0.00 C ATOM 0 H VAL A 17 -0.774 -6.396 6.617 1.00 0.00 H new ATOM 0 HA VAL A 17 0.979 -5.146 4.706 1.00 0.00 H new ATOM 0 HB VAL A 17 0.029 -4.527 7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.523 -2.557 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.430 -4.088 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.376 -3.124 6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.547 -2.373 6.366 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.210 -2.960 4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.242 -3.767 5.505 1.00 0.00 H new ATOM 276 N ASN A 18 2.169 -6.767 7.346 1.00 0.00 N ATOM 277 CA ASN A 18 3.369 -7.378 7.898 1.00 0.00 C ATOM 278 C ASN A 18 3.868 -8.520 7.016 1.00 0.00 C ATOM 279 O ASN A 18 5.060 -8.827 7.009 1.00 0.00 O ATOM 280 CB ASN A 18 3.105 -7.889 9.316 1.00 0.00 C ATOM 281 CG ASN A 18 2.395 -6.866 10.183 1.00 0.00 C ATOM 282 OD1 ASN A 18 2.740 -5.594 10.009 1.00 0.00 O flip ATOM 283 ND2 ASN A 18 1.546 -7.215 11.004 1.00 0.00 N flip ATOM 0 H ASN A 18 1.319 -6.936 7.884 1.00 0.00 H new ATOM 0 HA ASN A 18 4.144 -6.612 7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.503 -8.796 9.265 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.052 -8.160 9.782 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.311 -8.202 11.106 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.078 -6.517 11.582 1.00 0.00 H new ATOM 290 N ARG A 19 2.957 -9.157 6.284 1.00 0.00 N ATOM 291 CA ARG A 19 3.321 -10.270 5.419 1.00 0.00 C ATOM 292 C ARG A 19 3.976 -9.801 4.119 1.00 0.00 C ATOM 293 O ARG A 19 4.634 -10.585 3.435 1.00 0.00 O ATOM 294 CB ARG A 19 2.082 -11.109 5.108 1.00 0.00 C ATOM 295 CG ARG A 19 2.375 -12.593 5.004 1.00 0.00 C ATOM 296 CD ARG A 19 1.557 -13.407 5.990 1.00 0.00 C ATOM 297 NE ARG A 19 1.019 -14.623 5.384 1.00 0.00 N ATOM 298 CZ ARG A 19 -0.072 -14.651 4.622 1.00 0.00 C ATOM 299 NH1 ARG A 19 -0.742 -13.534 4.368 1.00 0.00 N ATOM 300 NH2 ARG A 19 -0.495 -15.800 4.112 1.00 0.00 N ATOM 0 H ARG A 19 1.965 -8.920 6.274 1.00 0.00 H new ATOM 0 HA ARG A 19 4.054 -10.875 5.952 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.336 -10.946 5.886 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.644 -10.765 4.171 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.164 -12.934 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.436 -12.766 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.179 -13.673 6.845 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.737 -12.798 6.370 1.00 0.00 H new ATOM 0 HE ARG A 19 1.508 -15.502 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.422 -12.647 4.757 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.577 -13.562 3.783 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.016 -16.662 4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.331 -15.822 3.528 1.00 0.00 H new ATOM 314 N LEU A 20 3.788 -8.531 3.771 1.00 0.00 N ATOM 315 CA LEU A 20 4.359 -7.986 2.541 1.00 0.00 C ATOM 316 C LEU A 20 5.872 -7.844 2.628 1.00 0.00 C ATOM 317 O LEU A 20 6.589 -8.237 1.708 1.00 0.00 O ATOM 318 CB LEU A 20 3.739 -6.628 2.218 1.00 0.00 C ATOM 319 CG LEU A 20 2.227 -6.634 1.986 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.791 -5.319 1.358 1.00 0.00 C ATOM 321 CD2 LEU A 20 1.795 -7.809 1.107 1.00 0.00 C ATOM 0 H LEU A 20 3.248 -7.862 4.320 1.00 0.00 H new ATOM 0 HA LEU A 20 4.130 -8.693 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.961 -5.943 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.224 -6.229 1.327 1.00 0.00 H new ATOM 0 HG LEU A 20 1.741 -6.750 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.713 -5.333 1.197 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.048 -4.495 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.299 -5.186 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.715 -7.779 0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.290 -7.740 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.072 -8.746 1.590 1.00 0.00 H new ATOM 333 N CYS A 21 6.362 -7.277 3.726 1.00 0.00 N ATOM 334 CA CYS A 21 7.800 -7.093 3.890 1.00 0.00 C ATOM 335 C CYS A 21 8.521 -8.427 3.756 1.00 0.00 C ATOM 336 O CYS A 21 9.640 -8.495 3.251 1.00 0.00 O ATOM 337 CB CYS A 21 8.122 -6.438 5.238 1.00 0.00 C ATOM 338 SG CYS A 21 7.064 -5.029 5.644 1.00 0.00 S ATOM 0 H CYS A 21 5.795 -6.941 4.505 1.00 0.00 H new ATOM 0 HA CYS A 21 8.150 -6.426 3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.030 -7.187 6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.161 -6.109 5.231 1.00 0.00 H new ATOM 0 HG CYS A 21 7.774 -3.940 5.647 1.00 0.00 H new ATOM 344 N LYS A 22 7.859 -9.490 4.190 1.00 0.00 N ATOM 345 CA LYS A 22 8.423 -10.828 4.095 1.00 0.00 C ATOM 346 C LYS A 22 8.156 -11.427 2.712 1.00 0.00 C ATOM 347 O LYS A 22 8.832 -12.366 2.289 1.00 0.00 O ATOM 348 CB LYS A 22 7.832 -11.727 5.180 1.00 0.00 C ATOM 349 CG LYS A 22 7.993 -11.172 6.588 1.00 0.00 C ATOM 350 CD LYS A 22 6.693 -11.258 7.371 1.00 0.00 C ATOM 351 CE LYS A 22 6.368 -12.692 7.748 1.00 0.00 C ATOM 352 NZ LYS A 22 7.209 -13.175 8.877 1.00 0.00 N ATOM 0 H LYS A 22 6.931 -9.452 4.611 1.00 0.00 H new ATOM 0 HA LYS A 22 9.501 -10.760 4.241 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.772 -11.877 4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.309 -12.706 5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.772 -11.726 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.320 -10.134 6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.769 -10.651 8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.880 -10.843 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.316 -12.765 8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.517 -13.337 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.888 -14.120 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.202 -13.226 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.126 -12.517 9.678 1.00 0.00 H new ATOM 366 N HIS A 23 7.152 -10.885 2.019 1.00 0.00 N ATOM 367 CA HIS A 23 6.773 -11.364 0.695 1.00 0.00 C ATOM 368 C HIS A 23 7.606 -10.728 -0.414 1.00 0.00 C ATOM 369 O HIS A 23 8.288 -11.429 -1.162 1.00 0.00 O ATOM 370 CB HIS A 23 5.289 -11.094 0.443 1.00 0.00 C ATOM 371 CG HIS A 23 4.712 -11.917 -0.668 1.00 0.00 C ATOM 372 ND1 HIS A 23 3.990 -13.071 -0.452 1.00 0.00 N ATOM 373 CD2 HIS A 23 4.755 -11.747 -2.011 1.00 0.00 C ATOM 374 CE1 HIS A 23 3.614 -13.576 -1.614 1.00 0.00 C ATOM 375 NE2 HIS A 23 4.065 -12.792 -2.575 1.00 0.00 N ATOM 0 H HIS A 23 6.585 -10.108 2.359 1.00 0.00 H new ATOM 0 HA HIS A 23 6.965 -12.437 0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.731 -11.292 1.358 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.155 -10.038 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.241 -10.940 -2.540 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.036 -14.477 -1.753 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.924 -12.938 -3.575 1.00 0.00 H new ATOM 384 N TRP A 24 7.533 -9.402 -0.538 1.00 0.00 N ATOM 385 CA TRP A 24 8.270 -8.706 -1.585 1.00 0.00 C ATOM 386 C TRP A 24 9.668 -8.297 -1.121 1.00 0.00 C ATOM 387 O TRP A 24 10.497 -7.892 -1.936 1.00 0.00 O ATOM 388 CB TRP A 24 7.488 -7.478 -2.051 1.00 0.00 C ATOM 389 CG TRP A 24 6.196 -7.820 -2.728 1.00 0.00 C ATOM 390 CD1 TRP A 24 4.958 -7.333 -2.424 1.00 0.00 C ATOM 391 CD2 TRP A 24 6.016 -8.724 -3.824 1.00 0.00 C ATOM 392 NE1 TRP A 24 4.017 -7.880 -3.264 1.00 0.00 N ATOM 393 CE2 TRP A 24 4.642 -8.736 -4.132 1.00 0.00 C ATOM 394 CE3 TRP A 24 6.882 -9.524 -4.575 1.00 0.00 C ATOM 395 CZ2 TRP A 24 4.116 -9.517 -5.158 1.00 0.00 C ATOM 396 CZ3 TRP A 24 6.358 -10.298 -5.593 1.00 0.00 C ATOM 397 CH2 TRP A 24 4.987 -10.290 -5.877 1.00 0.00 C ATOM 0 H TRP A 24 6.977 -8.798 0.067 1.00 0.00 H new ATOM 0 HA TRP A 24 8.390 -9.397 -2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.282 -6.839 -1.192 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.108 -6.900 -2.737 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.748 -6.622 -1.639 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.017 -7.681 -3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 24 7.941 -9.537 -4.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 3.059 -9.513 -5.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.018 -10.920 -6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.609 -10.906 -6.680 1.00 0.00 H new ATOM 408 N GLY A 25 9.937 -8.403 0.183 1.00 0.00 N ATOM 409 CA GLY A 25 11.247 -8.037 0.692 1.00 0.00 C ATOM 410 C GLY A 25 12.327 -9.014 0.272 1.00 0.00 C ATOM 411 O GLY A 25 12.958 -9.650 1.115 1.00 0.00 O ATOM 0 H GLY A 25 9.276 -8.733 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.506 -7.040 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.210 -7.988 1.780 1.00 0.00 H new ATOM 415 N HIS A 26 12.540 -9.135 -1.033 1.00 0.00 N ATOM 416 CA HIS A 26 13.550 -10.042 -1.559 1.00 0.00 C ATOM 417 C HIS A 26 14.710 -9.264 -2.168 1.00 0.00 C ATOM 418 O HIS A 26 15.835 -9.759 -2.230 1.00 0.00 O ATOM 419 CB HIS A 26 12.935 -10.971 -2.608 1.00 0.00 C ATOM 420 CG HIS A 26 13.399 -12.390 -2.494 1.00 0.00 C ATOM 421 ND1 HIS A 26 12.816 -13.432 -3.185 1.00 0.00 N ATOM 422 CD2 HIS A 26 14.399 -12.940 -1.763 1.00 0.00 C ATOM 423 CE1 HIS A 26 13.435 -14.559 -2.884 1.00 0.00 C ATOM 424 NE2 HIS A 26 14.399 -14.288 -2.024 1.00 0.00 N ATOM 0 H HIS A 26 12.026 -8.616 -1.745 1.00 0.00 H new ATOM 0 HA HIS A 26 13.931 -10.643 -0.733 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.849 -10.943 -2.515 1.00 0.00 H new ATOM 0 HB3 HIS A 26 13.179 -10.596 -3.602 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.071 -12.416 -1.099 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.194 -15.536 -3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 26 15.040 -14.970 -1.619 1.00 0.00 H new ATOM 433 N LYS A 27 14.432 -8.044 -2.621 1.00 0.00 N ATOM 434 CA LYS A 27 15.466 -7.209 -3.228 1.00 0.00 C ATOM 435 C LYS A 27 15.153 -5.726 -3.031 1.00 0.00 C ATOM 436 O LYS A 27 15.650 -4.873 -3.766 1.00 0.00 O ATOM 437 CB LYS A 27 15.582 -7.543 -4.723 1.00 0.00 C ATOM 438 CG LYS A 27 16.531 -6.643 -5.511 1.00 0.00 C ATOM 439 CD LYS A 27 15.767 -5.656 -6.382 1.00 0.00 C ATOM 440 CE LYS A 27 15.416 -6.258 -7.734 1.00 0.00 C ATOM 441 NZ LYS A 27 16.045 -5.508 -8.856 1.00 0.00 N ATOM 0 H LYS A 27 13.508 -7.614 -2.580 1.00 0.00 H new ATOM 0 HA LYS A 27 16.419 -7.415 -2.740 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.916 -8.576 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.591 -7.483 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.175 -6.098 -4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.180 -7.256 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.854 -5.350 -5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.367 -4.758 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.742 -7.298 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.333 -6.260 -7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.781 -5.950 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.714 -4.522 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.079 -5.528 -8.750 1.00 0.00 H new ATOM 455 N PHE A 28 14.328 -5.417 -2.034 1.00 0.00 N ATOM 456 CA PHE A 28 13.967 -4.039 -1.760 1.00 0.00 C ATOM 457 C PHE A 28 13.911 -3.775 -0.269 1.00 0.00 C ATOM 458 O PHE A 28 13.902 -4.704 0.539 1.00 0.00 O ATOM 459 CB PHE A 28 12.635 -3.701 -2.422 1.00 0.00 C ATOM 460 CG PHE A 28 12.787 -3.361 -3.873 1.00 0.00 C ATOM 461 CD1 PHE A 28 13.198 -2.097 -4.258 1.00 0.00 C ATOM 462 CD2 PHE A 28 12.538 -4.311 -4.851 1.00 0.00 C ATOM 463 CE1 PHE A 28 13.358 -1.784 -5.593 1.00 0.00 C ATOM 464 CE2 PHE A 28 12.692 -4.003 -6.189 1.00 0.00 C ATOM 465 CZ PHE A 28 13.103 -2.737 -6.561 1.00 0.00 C ATOM 0 H PHE A 28 13.902 -6.101 -1.409 1.00 0.00 H new ATOM 0 HA PHE A 28 14.738 -3.393 -2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.956 -4.548 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 28 12.177 -2.860 -1.901 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.396 -1.347 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 28 12.220 -5.303 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.682 -0.795 -5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 28 12.492 -4.750 -6.943 1.00 0.00 H new ATOM 0 HZ PHE A 28 13.225 -2.493 -7.606 1.00 0.00 H new ATOM 475 N GLU A 29 13.882 -2.502 0.092 1.00 0.00 N ATOM 476 CA GLU A 29 13.836 -2.122 1.499 1.00 0.00 C ATOM 477 C GLU A 29 12.403 -2.132 2.014 1.00 0.00 C ATOM 478 O GLU A 29 11.607 -1.252 1.686 1.00 0.00 O ATOM 479 CB GLU A 29 14.463 -0.744 1.705 1.00 0.00 C ATOM 480 CG GLU A 29 14.064 0.266 0.648 1.00 0.00 C ATOM 481 CD GLU A 29 15.110 0.418 -0.439 1.00 0.00 C ATOM 482 OE1 GLU A 29 16.067 1.195 -0.238 1.00 0.00 O ATOM 483 OE2 GLU A 29 14.972 -0.240 -1.492 1.00 0.00 O ATOM 0 H GLU A 29 13.889 -1.719 -0.562 1.00 0.00 H new ATOM 0 HA GLU A 29 14.411 -2.854 2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.174 -0.365 2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.548 -0.844 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.119 -0.039 0.198 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.894 1.233 1.121 1.00 0.00 H new ATOM 490 N VAL A 30 12.078 -3.140 2.818 1.00 0.00 N ATOM 491 CA VAL A 30 10.736 -3.270 3.371 1.00 0.00 C ATOM 492 C VAL A 30 10.749 -3.221 4.897 1.00 0.00 C ATOM 493 O VAL A 30 11.277 -4.120 5.552 1.00 0.00 O ATOM 494 CB VAL A 30 10.052 -4.585 2.920 1.00 0.00 C ATOM 495 CG1 VAL A 30 9.168 -4.359 1.706 1.00 0.00 C ATOM 496 CG2 VAL A 30 11.079 -5.668 2.630 1.00 0.00 C ATOM 0 H VAL A 30 12.725 -3.877 3.100 1.00 0.00 H new ATOM 0 HA VAL A 30 10.168 -2.423 2.988 1.00 0.00 H new ATOM 0 HB VAL A 30 9.422 -4.921 3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.703 -5.301 1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.394 -3.632 1.950 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.772 -3.982 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.569 -6.579 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.746 -5.333 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 30 11.659 -5.870 3.530 1.00 0.00 H new ATOM 506 N GLU A 31 10.147 -2.173 5.459 1.00 0.00 N ATOM 507 CA GLU A 31 10.074 -2.019 6.906 1.00 0.00 C ATOM 508 C GLU A 31 8.773 -2.618 7.430 1.00 0.00 C ATOM 509 O GLU A 31 7.719 -2.464 6.814 1.00 0.00 O ATOM 510 CB GLU A 31 10.170 -0.540 7.291 1.00 0.00 C ATOM 511 CG GLU A 31 11.375 -0.215 8.159 1.00 0.00 C ATOM 512 CD GLU A 31 11.848 1.215 7.987 1.00 0.00 C ATOM 513 OE1 GLU A 31 10.991 2.123 7.949 1.00 0.00 O ATOM 514 OE2 GLU A 31 13.075 1.427 7.891 1.00 0.00 O ATOM 0 H GLU A 31 9.704 -1.420 4.932 1.00 0.00 H new ATOM 0 HA GLU A 31 10.913 -2.549 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.214 0.061 6.383 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.262 -0.251 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.122 -0.387 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.190 -0.896 7.913 1.00 0.00 H new ATOM 521 N LEU A 32 8.851 -3.301 8.565 1.00 0.00 N ATOM 522 CA LEU A 32 7.665 -3.924 9.158 1.00 0.00 C ATOM 523 C LEU A 32 7.420 -3.412 10.570 1.00 0.00 C ATOM 524 O LEU A 32 8.137 -3.762 11.508 1.00 0.00 O ATOM 525 CB LEU A 32 7.805 -5.460 9.168 1.00 0.00 C ATOM 526 CG LEU A 32 6.516 -6.271 9.410 1.00 0.00 C ATOM 527 CD1 LEU A 32 6.863 -7.695 9.827 1.00 0.00 C ATOM 528 CD2 LEU A 32 5.632 -5.620 10.468 1.00 0.00 C ATOM 0 H LEU A 32 9.713 -3.439 9.093 1.00 0.00 H new ATOM 0 HA LEU A 32 6.807 -3.652 8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.227 -5.769 8.212 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.527 -5.731 9.938 1.00 0.00 H new ATOM 0 HG LEU A 32 5.957 -6.292 8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.945 -8.259 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.444 -8.174 9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.449 -7.673 10.746 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.733 -6.220 10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.178 -5.555 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.351 -4.619 10.142 1.00 0.00 H new ATOM 540 N THR A 33 6.377 -2.605 10.712 1.00 0.00 N ATOM 541 CA THR A 33 5.993 -2.063 12.009 1.00 0.00 C ATOM 542 C THR A 33 4.527 -2.385 12.253 1.00 0.00 C ATOM 543 O THR A 33 3.800 -2.716 11.316 1.00 0.00 O ATOM 544 CB THR A 33 6.216 -0.550 12.046 1.00 0.00 C ATOM 545 OG1 THR A 33 5.953 0.027 10.779 1.00 0.00 O ATOM 546 CG2 THR A 33 7.623 -0.162 12.444 1.00 0.00 C ATOM 0 H THR A 33 5.779 -2.310 9.940 1.00 0.00 H new ATOM 0 HA THR A 33 6.607 -2.512 12.790 1.00 0.00 H new ATOM 0 HB THR A 33 5.526 -0.175 12.802 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.100 0.995 10.824 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.713 0.924 12.450 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.840 -0.550 13.439 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.332 -0.581 11.729 1.00 0.00 H new ATOM 554 N PRO A 34 4.057 -2.294 13.500 1.00 0.00 N ATOM 555 CA PRO A 34 2.662 -2.580 13.819 1.00 0.00 C ATOM 556 C PRO A 34 1.747 -1.436 13.425 1.00 0.00 C ATOM 557 O PRO A 34 0.911 -0.990 14.211 1.00 0.00 O ATOM 558 CB PRO A 34 2.680 -2.762 15.327 1.00 0.00 C ATOM 559 CG PRO A 34 3.820 -1.926 15.803 1.00 0.00 C ATOM 560 CD PRO A 34 4.834 -1.901 14.688 1.00 0.00 C ATOM 0 HA PRO A 34 2.281 -3.448 13.281 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.740 -2.439 15.775 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.819 -3.809 15.597 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.486 -0.917 16.045 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.254 -2.344 16.711 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.274 -0.911 14.569 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.654 -2.594 14.877 1.00 0.00 H new ATOM 568 N GLU A 35 1.922 -0.960 12.201 1.00 0.00 N ATOM 569 CA GLU A 35 1.131 0.143 11.685 1.00 0.00 C ATOM 570 C GLU A 35 1.065 0.122 10.158 1.00 0.00 C ATOM 571 O GLU A 35 0.026 0.437 9.578 1.00 0.00 O ATOM 572 CB GLU A 35 1.718 1.480 12.155 1.00 0.00 C ATOM 573 CG GLU A 35 1.704 1.669 13.664 1.00 0.00 C ATOM 574 CD GLU A 35 0.303 1.837 14.223 1.00 0.00 C ATOM 575 OE1 GLU A 35 -0.558 0.979 13.939 1.00 0.00 O ATOM 576 OE2 GLU A 35 0.068 2.829 14.945 1.00 0.00 O ATOM 0 H GLU A 35 2.611 -1.325 11.544 1.00 0.00 H new ATOM 0 HA GLU A 35 0.118 0.030 12.071 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.745 1.558 11.799 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.158 2.293 11.693 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.178 0.810 14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.300 2.544 13.921 1.00 0.00 H new ATOM 583 N ARG A 36 2.173 -0.234 9.500 1.00 0.00 N ATOM 584 CA ARG A 36 2.194 -0.262 8.045 1.00 0.00 C ATOM 585 C ARG A 36 3.453 -0.907 7.485 1.00 0.00 C ATOM 586 O ARG A 36 4.429 -1.146 8.196 1.00 0.00 O ATOM 587 CB ARG A 36 2.077 1.155 7.488 1.00 0.00 C ATOM 588 CG ARG A 36 3.138 2.100 8.033 1.00 0.00 C ATOM 589 CD ARG A 36 2.599 2.968 9.159 1.00 0.00 C ATOM 590 NE ARG A 36 2.799 4.392 8.899 1.00 0.00 N ATOM 591 CZ ARG A 36 2.213 5.056 7.904 1.00 0.00 C ATOM 592 NH1 ARG A 36 1.386 4.432 7.076 1.00 0.00 N ATOM 593 NH2 ARG A 36 2.455 6.349 7.738 1.00 0.00 N ATOM 0 H ARG A 36 3.050 -0.501 9.948 1.00 0.00 H new ATOM 0 HA ARG A 36 1.342 -0.867 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.154 1.119 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.090 1.552 7.724 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.988 1.522 8.395 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.506 2.736 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.535 2.770 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.092 2.698 10.093 1.00 0.00 H new ATOM 0 HE ARG A 36 3.425 4.909 9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.195 3.438 7.199 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.941 4.947 6.316 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.090 6.835 8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.007 6.858 6.976 1.00 0.00 H new ATOM 607 N GLY A 37 3.413 -1.147 6.179 1.00 0.00 N ATOM 608 CA GLY A 37 4.541 -1.722 5.474 1.00 0.00 C ATOM 609 C GLY A 37 5.190 -0.676 4.570 1.00 0.00 C ATOM 610 O GLY A 37 4.539 -0.165 3.659 1.00 0.00 O ATOM 0 H GLY A 37 2.605 -0.949 5.589 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.272 -2.098 6.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.211 -2.573 4.878 1.00 0.00 H new ATOM 614 N PHE A 38 6.453 -0.332 4.822 1.00 0.00 N ATOM 615 CA PHE A 38 7.143 0.679 4.026 1.00 0.00 C ATOM 616 C PHE A 38 8.039 0.020 2.989 1.00 0.00 C ATOM 617 O PHE A 38 8.930 -0.755 3.330 1.00 0.00 O ATOM 618 CB PHE A 38 7.965 1.568 4.962 1.00 0.00 C ATOM 619 CG PHE A 38 8.789 2.629 4.281 1.00 0.00 C ATOM 620 CD1 PHE A 38 8.195 3.775 3.767 1.00 0.00 C ATOM 621 CD2 PHE A 38 10.169 2.500 4.195 1.00 0.00 C ATOM 622 CE1 PHE A 38 8.962 4.764 3.183 1.00 0.00 C ATOM 623 CE2 PHE A 38 10.936 3.484 3.604 1.00 0.00 C ATOM 624 CZ PHE A 38 10.333 4.618 3.099 1.00 0.00 C ATOM 0 H PHE A 38 7.016 -0.738 5.569 1.00 0.00 H new ATOM 0 HA PHE A 38 6.412 1.288 3.495 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.287 2.053 5.665 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.631 0.934 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.123 3.894 3.825 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.648 1.619 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 38 8.489 5.653 2.792 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.007 3.366 3.537 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.932 5.390 2.639 1.00 0.00 H new ATOM 634 N ILE A 39 7.805 0.340 1.722 1.00 0.00 N ATOM 635 CA ILE A 39 8.607 -0.222 0.636 1.00 0.00 C ATOM 636 C ILE A 39 8.965 0.871 -0.363 1.00 0.00 C ATOM 637 O ILE A 39 8.127 1.276 -1.169 1.00 0.00 O ATOM 638 CB ILE A 39 7.874 -1.357 -0.128 1.00 0.00 C ATOM 639 CG1 ILE A 39 6.951 -2.162 0.810 1.00 0.00 C ATOM 640 CG2 ILE A 39 8.891 -2.267 -0.819 1.00 0.00 C ATOM 641 CD1 ILE A 39 6.522 -3.513 0.265 1.00 0.00 C ATOM 0 H ILE A 39 7.072 0.981 1.420 1.00 0.00 H new ATOM 0 HA ILE A 39 9.500 -0.643 1.097 1.00 0.00 H new ATOM 0 HB ILE A 39 7.241 -0.904 -0.890 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.463 -2.314 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.060 -1.569 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.366 -3.060 -1.352 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.481 -1.683 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.552 -2.707 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.876 -4.009 0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.979 -3.373 -0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.403 -4.129 0.083 1.00 0.00 H new ATOM 653 N ASP A 40 10.204 1.350 -0.319 1.00 0.00 N ATOM 654 CA ASP A 40 10.633 2.392 -1.237 1.00 0.00 C ATOM 655 C ASP A 40 11.473 1.803 -2.355 1.00 0.00 C ATOM 656 O ASP A 40 12.367 0.990 -2.120 1.00 0.00 O ATOM 657 CB ASP A 40 11.413 3.488 -0.507 1.00 0.00 C ATOM 658 CG ASP A 40 12.368 2.944 0.535 1.00 0.00 C ATOM 659 OD1 ASP A 40 11.920 2.169 1.406 1.00 0.00 O ATOM 660 OD2 ASP A 40 13.565 3.296 0.482 1.00 0.00 O ATOM 0 H ASP A 40 10.920 1.036 0.336 1.00 0.00 H new ATOM 0 HA ASP A 40 9.740 2.844 -1.669 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.974 4.073 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.709 4.168 -0.027 1.00 0.00 H new ATOM 665 N PHE A 41 11.176 2.224 -3.570 1.00 0.00 N ATOM 666 CA PHE A 41 11.897 1.748 -4.743 1.00 0.00 C ATOM 667 C PHE A 41 13.064 2.679 -5.067 1.00 0.00 C ATOM 668 O PHE A 41 13.757 2.496 -6.068 1.00 0.00 O ATOM 669 CB PHE A 41 10.954 1.679 -5.953 1.00 0.00 C ATOM 670 CG PHE A 41 10.181 0.394 -6.070 1.00 0.00 C ATOM 671 CD1 PHE A 41 10.767 -0.729 -6.628 1.00 0.00 C ATOM 672 CD2 PHE A 41 8.868 0.311 -5.628 1.00 0.00 C ATOM 673 CE1 PHE A 41 10.063 -1.913 -6.740 1.00 0.00 C ATOM 674 CE2 PHE A 41 8.159 -0.870 -5.739 1.00 0.00 C ATOM 675 CZ PHE A 41 8.758 -1.983 -6.295 1.00 0.00 C ATOM 0 H PHE A 41 10.438 2.898 -3.774 1.00 0.00 H new ATOM 0 HA PHE A 41 12.283 0.752 -4.525 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.249 2.508 -5.896 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.539 1.820 -6.862 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.787 -0.679 -6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.395 1.179 -5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.533 -2.782 -7.175 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.138 -0.922 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.206 -2.907 -6.382 1.00 0.00 H new ATOM 685 N GLY A 42 13.269 3.683 -4.218 1.00 0.00 N ATOM 686 CA GLY A 42 14.341 4.634 -4.433 1.00 0.00 C ATOM 687 C GLY A 42 13.823 6.033 -4.717 1.00 0.00 C ATOM 688 O GLY A 42 13.838 6.897 -3.840 1.00 0.00 O ATOM 0 H GLY A 42 12.709 3.853 -3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.983 4.659 -3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.957 4.301 -5.268 1.00 0.00 H new ATOM 692 N ASP A 43 13.358 6.255 -5.944 1.00 0.00 N ATOM 693 CA ASP A 43 12.826 7.557 -6.340 1.00 0.00 C ATOM 694 C ASP A 43 11.306 7.580 -6.197 1.00 0.00 C ATOM 695 O ASP A 43 10.589 8.015 -7.098 1.00 0.00 O ATOM 696 CB ASP A 43 13.224 7.875 -7.784 1.00 0.00 C ATOM 697 CG ASP A 43 14.674 8.300 -7.903 1.00 0.00 C ATOM 698 OD1 ASP A 43 15.117 9.136 -7.087 1.00 0.00 O ATOM 699 OD2 ASP A 43 15.368 7.797 -8.812 1.00 0.00 O ATOM 0 H ASP A 43 13.339 5.550 -6.681 1.00 0.00 H new ATOM 0 HA ASP A 43 13.248 8.317 -5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 43 13.053 6.997 -8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 43 12.583 8.668 -8.169 1.00 0.00 H new ATOM 704 N SER A 44 10.829 7.101 -5.051 1.00 0.00 N ATOM 705 CA SER A 44 9.399 7.042 -4.752 1.00 0.00 C ATOM 706 C SER A 44 9.177 6.237 -3.467 1.00 0.00 C ATOM 707 O SER A 44 10.141 5.908 -2.776 1.00 0.00 O ATOM 708 CB SER A 44 8.630 6.433 -5.932 1.00 0.00 C ATOM 709 OG SER A 44 8.044 5.186 -5.593 1.00 0.00 O ATOM 0 H SER A 44 11.422 6.743 -4.303 1.00 0.00 H new ATOM 0 HA SER A 44 9.019 8.052 -4.597 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.852 7.125 -6.254 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.306 6.299 -6.776 1.00 0.00 H new ATOM 0 HG SER A 44 8.724 4.482 -5.639 1.00 0.00 H new ATOM 715 N ASN A 45 7.923 5.920 -3.136 1.00 0.00 N ATOM 716 CA ASN A 45 7.638 5.165 -1.920 1.00 0.00 C ATOM 717 C ASN A 45 6.252 4.528 -1.984 1.00 0.00 C ATOM 718 O ASN A 45 5.393 4.977 -2.742 1.00 0.00 O ATOM 719 CB ASN A 45 7.698 6.088 -0.694 1.00 0.00 C ATOM 720 CG ASN A 45 9.097 6.586 -0.384 1.00 0.00 C ATOM 721 OD1 ASN A 45 9.509 7.655 -1.056 1.00 0.00 O flip ATOM 722 ND2 ASN A 45 9.795 6.024 0.458 1.00 0.00 N flip ATOM 0 H ASN A 45 7.101 6.171 -3.686 1.00 0.00 H new ATOM 0 HA ASN A 45 8.391 4.381 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.044 6.944 -0.860 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.310 5.554 0.173 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.439 5.205 0.951 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.730 6.377 0.663 1.00 0.00 H new ATOM 729 N CYS A 46 6.024 3.503 -1.163 1.00 0.00 N ATOM 730 CA CYS A 46 4.729 2.849 -1.118 1.00 0.00 C ATOM 731 C CYS A 46 4.488 2.282 0.275 1.00 0.00 C ATOM 732 O CYS A 46 5.032 1.238 0.637 1.00 0.00 O ATOM 733 CB CYS A 46 4.648 1.743 -2.166 1.00 0.00 C ATOM 734 SG CYS A 46 3.070 0.863 -2.192 1.00 0.00 S ATOM 0 H CYS A 46 6.719 3.114 -0.526 1.00 0.00 H new ATOM 0 HA CYS A 46 3.955 3.584 -1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 46 4.826 2.176 -3.150 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.448 1.026 -1.984 1.00 0.00 H new ATOM 0 HG CYS A 46 2.420 1.170 -3.275 1.00 0.00 H new ATOM 740 N GLU A 47 3.678 2.985 1.054 1.00 0.00 N ATOM 741 CA GLU A 47 3.366 2.572 2.414 1.00 0.00 C ATOM 742 C GLU A 47 1.975 1.950 2.461 1.00 0.00 C ATOM 743 O GLU A 47 1.126 2.250 1.622 1.00 0.00 O ATOM 744 CB GLU A 47 3.462 3.790 3.344 1.00 0.00 C ATOM 745 CG GLU A 47 3.920 3.489 4.769 1.00 0.00 C ATOM 746 CD GLU A 47 4.603 4.679 5.415 1.00 0.00 C ATOM 747 OE1 GLU A 47 4.244 5.826 5.077 1.00 0.00 O ATOM 748 OE2 GLU A 47 5.497 4.463 6.261 1.00 0.00 O ATOM 0 H GLU A 47 3.222 3.850 0.764 1.00 0.00 H new ATOM 0 HA GLU A 47 4.080 1.820 2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.152 4.510 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.485 4.271 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.060 3.195 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.605 2.641 4.757 1.00 0.00 H new ATOM 755 N LEU A 48 1.745 1.078 3.435 1.00 0.00 N ATOM 756 CA LEU A 48 0.446 0.417 3.561 1.00 0.00 C ATOM 757 C LEU A 48 0.021 0.331 5.021 1.00 0.00 C ATOM 758 O LEU A 48 0.614 -0.406 5.805 1.00 0.00 O ATOM 759 CB LEU A 48 0.486 -0.989 2.923 1.00 0.00 C ATOM 760 CG LEU A 48 -0.842 -1.762 2.905 1.00 0.00 C ATOM 761 CD1 LEU A 48 -2.005 -0.859 2.520 1.00 0.00 C ATOM 762 CD2 LEU A 48 -0.756 -2.946 1.952 1.00 0.00 C ATOM 0 H LEU A 48 2.430 0.812 4.143 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.292 1.016 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.839 -0.890 1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.224 -1.587 3.458 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.024 -2.133 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.929 -1.437 2.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.088 -0.046 3.241 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.832 -0.446 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.705 -3.482 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.541 -2.588 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.040 -3.617 2.276 1.00 0.00 H new ATOM 774 N LEU A 49 -1.026 1.074 5.371 1.00 0.00 N ATOM 775 CA LEU A 49 -1.545 1.064 6.742 1.00 0.00 C ATOM 776 C LEU A 49 -2.570 -0.043 6.867 1.00 0.00 C ATOM 777 O LEU A 49 -3.437 -0.181 6.008 1.00 0.00 O ATOM 778 CB LEU A 49 -2.174 2.410 7.119 1.00 0.00 C ATOM 779 CG LEU A 49 -2.255 2.698 8.624 1.00 0.00 C ATOM 780 CD1 LEU A 49 -1.376 3.885 8.983 1.00 0.00 C ATOM 781 CD2 LEU A 49 -3.695 2.958 9.039 1.00 0.00 C ATOM 0 H LEU A 49 -1.531 1.688 4.731 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.716 0.890 7.428 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.601 3.206 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.181 2.451 6.703 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.894 1.823 9.164 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.444 4.077 10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.342 3.665 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.711 4.765 8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.734 3.160 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.081 3.818 8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.303 2.082 8.813 1.00 0.00 H new ATOM 793 N ALA A 50 -2.458 -0.858 7.906 1.00 0.00 N ATOM 794 CA ALA A 50 -3.380 -1.967 8.065 1.00 0.00 C ATOM 795 C ALA A 50 -3.738 -2.252 9.516 1.00 0.00 C ATOM 796 O ALA A 50 -2.901 -2.680 10.310 1.00 0.00 O ATOM 797 CB ALA A 50 -2.793 -3.198 7.405 1.00 0.00 C ATOM 0 H ALA A 50 -1.752 -0.774 8.637 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.315 -1.687 7.580 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.481 -4.036 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.635 -3.002 6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.840 -3.443 7.874 1.00 0.00 H new ATOM 803 N HIS A 51 -5.012 -2.041 9.835 1.00 0.00 N ATOM 804 CA HIS A 51 -5.532 -2.299 11.153 1.00 0.00 C ATOM 805 C HIS A 51 -6.513 -3.477 11.071 1.00 0.00 C ATOM 806 O HIS A 51 -6.932 -3.868 9.983 1.00 0.00 O ATOM 807 CB HIS A 51 -6.199 -1.035 11.722 1.00 0.00 C ATOM 808 CG HIS A 51 -5.864 -0.773 13.159 1.00 0.00 C ATOM 809 ND1 HIS A 51 -6.775 -0.267 14.064 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.711 -0.953 13.853 1.00 0.00 C ATOM 811 CE1 HIS A 51 -6.198 -0.145 15.246 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.948 -0.555 15.145 1.00 0.00 N ATOM 0 H HIS A 51 -5.706 -1.685 9.177 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.723 -2.564 11.834 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.896 -0.175 11.125 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -7.280 -1.129 11.621 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.781 -1.338 13.461 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.670 0.227 16.143 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.267 -0.573 15.905 1.00 0.00 H new ATOM 821 N PRO A 52 -6.869 -4.070 12.212 1.00 0.00 N ATOM 822 CA PRO A 52 -7.773 -5.227 12.278 1.00 0.00 C ATOM 823 C PRO A 52 -9.044 -5.090 11.438 1.00 0.00 C ATOM 824 O PRO A 52 -9.689 -6.094 11.135 1.00 0.00 O ATOM 825 CB PRO A 52 -8.119 -5.304 13.762 1.00 0.00 C ATOM 826 CG PRO A 52 -6.914 -4.757 14.440 1.00 0.00 C ATOM 827 CD PRO A 52 -6.397 -3.670 13.538 1.00 0.00 C ATOM 0 HA PRO A 52 -7.296 -6.118 11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.009 -4.719 13.995 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.321 -6.329 14.072 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.164 -4.362 15.425 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.163 -5.533 14.589 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.786 -2.693 13.824 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.310 -3.603 13.573 1.00 0.00 H new ATOM 835 N ASP A 53 -9.423 -3.867 11.069 1.00 0.00 N ATOM 836 CA ASP A 53 -10.639 -3.684 10.281 1.00 0.00 C ATOM 837 C ASP A 53 -10.522 -2.595 9.215 1.00 0.00 C ATOM 838 O ASP A 53 -11.490 -2.338 8.499 1.00 0.00 O ATOM 839 CB ASP A 53 -11.823 -3.384 11.200 1.00 0.00 C ATOM 840 CG ASP A 53 -13.149 -3.791 10.588 1.00 0.00 C ATOM 841 OD1 ASP A 53 -13.626 -3.081 9.678 1.00 0.00 O ATOM 842 OD2 ASP A 53 -13.709 -4.822 11.017 1.00 0.00 O ATOM 0 H ASP A 53 -8.920 -3.009 11.296 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.800 -4.622 9.750 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -11.687 -3.908 12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.843 -2.318 11.426 1.00 0.00 H new ATOM 847 N HIS A 54 -9.356 -1.974 9.072 1.00 0.00 N ATOM 848 CA HIS A 54 -9.202 -0.953 8.038 1.00 0.00 C ATOM 849 C HIS A 54 -7.789 -0.943 7.457 1.00 0.00 C ATOM 850 O HIS A 54 -6.844 -1.407 8.096 1.00 0.00 O ATOM 851 CB HIS A 54 -9.579 0.434 8.563 1.00 0.00 C ATOM 852 CG HIS A 54 -8.787 0.878 9.753 1.00 0.00 C ATOM 853 ND1 HIS A 54 -7.646 1.644 9.651 1.00 0.00 N ATOM 854 CD2 HIS A 54 -8.987 0.679 11.077 1.00 0.00 C ATOM 855 CE1 HIS A 54 -7.178 1.897 10.860 1.00 0.00 C ATOM 856 NE2 HIS A 54 -7.974 1.324 11.744 1.00 0.00 N ATOM 0 H HIS A 54 -8.526 -2.150 9.639 1.00 0.00 H new ATOM 0 HA HIS A 54 -9.890 -1.210 7.233 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.447 1.161 7.762 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -10.637 0.436 8.824 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -9.793 0.117 11.526 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.294 2.475 11.087 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.856 1.355 12.757 1.00 0.00 H new ATOM 865 N VAL A 55 -7.649 -0.419 6.234 1.00 0.00 N ATOM 866 CA VAL A 55 -6.356 -0.362 5.573 1.00 0.00 C ATOM 867 C VAL A 55 -6.197 0.949 4.802 1.00 0.00 C ATOM 868 O VAL A 55 -7.129 1.416 4.148 1.00 0.00 O ATOM 869 CB VAL A 55 -6.170 -1.569 4.621 1.00 0.00 C ATOM 870 CG1 VAL A 55 -6.706 -1.278 3.224 1.00 0.00 C ATOM 871 CG2 VAL A 55 -4.711 -1.996 4.560 1.00 0.00 C ATOM 0 H VAL A 55 -8.419 -0.031 5.689 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.585 -0.407 6.342 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.753 -2.394 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.556 -2.150 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.770 -1.050 3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.175 -0.425 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.608 -2.845 3.885 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.104 -1.167 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.374 -2.282 5.556 1.00 0.00 H new ATOM 881 N LEU A 56 -5.011 1.532 4.887 1.00 0.00 N ATOM 882 CA LEU A 56 -4.716 2.789 4.200 1.00 0.00 C ATOM 883 C LEU A 56 -3.544 2.602 3.242 1.00 0.00 C ATOM 884 O LEU A 56 -2.634 1.820 3.507 1.00 0.00 O ATOM 885 CB LEU A 56 -4.391 3.898 5.219 1.00 0.00 C ATOM 886 CG LEU A 56 -5.394 5.056 5.317 1.00 0.00 C ATOM 887 CD1 LEU A 56 -4.990 6.009 6.434 1.00 0.00 C ATOM 888 CD2 LEU A 56 -5.505 5.812 3.998 1.00 0.00 C ATOM 0 H LEU A 56 -4.231 1.156 5.426 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.597 3.086 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.302 3.440 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.414 4.313 4.971 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.372 4.631 5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.709 6.826 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.972 5.472 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.999 6.413 6.227 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.224 6.625 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.531 6.221 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.840 5.131 3.215 1.00 0.00 H new ATOM 900 N MET A 57 -3.575 3.318 2.125 1.00 0.00 N ATOM 901 CA MET A 57 -2.514 3.216 1.130 1.00 0.00 C ATOM 902 C MET A 57 -1.979 4.597 0.755 1.00 0.00 C ATOM 903 O MET A 57 -2.696 5.406 0.169 1.00 0.00 O ATOM 904 CB MET A 57 -3.044 2.485 -0.106 1.00 0.00 C ATOM 905 CG MET A 57 -3.961 1.321 0.241 1.00 0.00 C ATOM 906 SD MET A 57 -4.595 0.476 -1.220 1.00 0.00 S ATOM 907 CE MET A 57 -6.328 0.923 -1.145 1.00 0.00 C ATOM 0 H MET A 57 -4.319 3.973 1.886 1.00 0.00 H new ATOM 0 HA MET A 57 -1.686 2.648 1.554 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.585 3.192 -0.735 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.202 2.116 -0.692 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.418 0.608 0.861 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.798 1.688 0.836 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.688 1.155 -2.148 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.901 0.090 -0.737 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.451 1.796 -0.505 1.00 0.00 H new ATOM 917 N ILE A 58 -0.713 4.865 1.094 1.00 0.00 N ATOM 918 CA ILE A 58 -0.099 6.146 0.787 1.00 0.00 C ATOM 919 C ILE A 58 1.187 5.955 -0.010 1.00 0.00 C ATOM 920 O ILE A 58 1.994 5.079 0.300 1.00 0.00 O ATOM 921 CB ILE A 58 0.236 6.938 2.069 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.998 7.051 2.983 1.00 0.00 C ATOM 923 CG2 ILE A 58 0.783 8.310 1.703 1.00 0.00 C ATOM 924 CD1 ILE A 58 -1.355 8.472 3.383 1.00 0.00 C ATOM 0 H ILE A 58 -0.101 4.209 1.580 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.824 6.707 0.197 1.00 0.00 H new ATOM 0 HB ILE A 58 1.004 6.400 2.625 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.853 6.604 2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.821 6.466 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.017 8.863 2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.688 8.194 1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.037 8.858 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.235 8.459 4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.519 8.919 3.921 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.567 9.059 2.489 1.00 0.00 H new ATOM 936 N LEU A 59 1.377 6.784 -1.029 1.00 0.00 N ATOM 937 CA LEU A 59 2.574 6.705 -1.855 1.00 0.00 C ATOM 938 C LEU A 59 3.309 8.036 -1.882 1.00 0.00 C ATOM 939 O LEU A 59 2.689 9.095 -1.916 1.00 0.00 O ATOM 940 CB LEU A 59 2.219 6.277 -3.291 1.00 0.00 C ATOM 941 CG LEU A 59 1.675 7.368 -4.230 1.00 0.00 C ATOM 942 CD1 LEU A 59 0.425 7.991 -3.650 1.00 0.00 C ATOM 943 CD2 LEU A 59 2.717 8.441 -4.525 1.00 0.00 C ATOM 0 H LEU A 59 0.721 7.515 -1.302 1.00 0.00 H new ATOM 0 HA LEU A 59 3.230 5.954 -1.414 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.112 5.851 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.479 5.479 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 59 1.426 6.887 -5.176 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.054 8.760 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.338 7.223 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.657 8.439 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.289 9.190 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.023 8.917 -3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.585 7.984 -5.002 1.00 0.00 H new ATOM 955 N ASN A 60 4.631 7.974 -1.916 1.00 0.00 N ATOM 956 CA ASN A 60 5.446 9.177 -2.002 1.00 0.00 C ATOM 957 C ASN A 60 6.284 9.083 -3.265 1.00 0.00 C ATOM 958 O ASN A 60 7.257 8.335 -3.318 1.00 0.00 O ATOM 959 CB ASN A 60 6.345 9.336 -0.770 1.00 0.00 C ATOM 960 CG ASN A 60 5.723 8.761 0.489 1.00 0.00 C ATOM 961 OD1 ASN A 60 4.503 8.635 0.591 1.00 0.00 O ATOM 962 ND2 ASN A 60 6.563 8.409 1.456 1.00 0.00 N ATOM 0 H ASN A 60 5.163 7.104 -1.885 1.00 0.00 H new ATOM 0 HA ASN A 60 4.800 10.054 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.299 8.843 -0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.557 10.394 -0.615 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.203 8.017 2.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.568 8.531 1.328 1.00 0.00 H new ATOM 969 N SER A 61 5.878 9.809 -4.299 1.00 0.00 N ATOM 970 CA SER A 61 6.593 9.745 -5.578 1.00 0.00 C ATOM 971 C SER A 61 6.669 11.094 -6.291 1.00 0.00 C ATOM 972 O SER A 61 5.681 11.823 -6.379 1.00 0.00 O ATOM 973 CB SER A 61 5.903 8.744 -6.504 1.00 0.00 C ATOM 974 OG SER A 61 5.193 7.768 -5.764 1.00 0.00 O ATOM 0 H SER A 61 5.075 10.438 -4.285 1.00 0.00 H new ATOM 0 HA SER A 61 7.612 9.434 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.217 9.271 -7.168 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.646 8.256 -7.135 1.00 0.00 H new ATOM 0 HG SER A 61 5.158 6.932 -6.274 1.00 0.00 H new ATOM 980 N PRO A 62 7.857 11.427 -6.823 1.00 0.00 N ATOM 981 CA PRO A 62 8.093 12.679 -7.554 1.00 0.00 C ATOM 982 C PRO A 62 7.377 12.748 -8.898 1.00 0.00 C ATOM 983 O PRO A 62 7.382 13.794 -9.548 1.00 0.00 O ATOM 984 CB PRO A 62 9.601 12.672 -7.770 1.00 0.00 C ATOM 985 CG PRO A 62 9.976 11.233 -7.761 1.00 0.00 C ATOM 986 CD PRO A 62 9.077 10.602 -6.749 1.00 0.00 C ATOM 0 HA PRO A 62 7.713 13.536 -6.999 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.868 13.145 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.117 13.221 -6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.839 10.784 -8.745 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.024 11.101 -7.494 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.873 9.558 -6.987 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.517 10.621 -5.752 1.00 0.00 H new ATOM 994 N ASP A 63 6.763 11.647 -9.325 1.00 0.00 N ATOM 995 CA ASP A 63 6.062 11.640 -10.602 1.00 0.00 C ATOM 996 C ASP A 63 4.785 10.808 -10.512 1.00 0.00 C ATOM 997 O ASP A 63 4.748 9.809 -9.794 1.00 0.00 O ATOM 998 CB ASP A 63 6.969 11.084 -11.701 1.00 0.00 C ATOM 999 CG ASP A 63 7.442 9.676 -11.403 1.00 0.00 C ATOM 1000 OD1 ASP A 63 8.041 9.466 -10.327 1.00 0.00 O ATOM 1001 OD2 ASP A 63 7.213 8.782 -12.245 1.00 0.00 O ATOM 0 H ASP A 63 6.737 10.764 -8.815 1.00 0.00 H new ATOM 0 HA ASP A 63 5.792 12.667 -10.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.432 11.091 -12.649 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.834 11.737 -11.820 1.00 0.00 H new ATOM 1006 N GLU A 64 3.735 11.209 -11.233 1.00 0.00 N ATOM 1007 CA GLU A 64 2.475 10.444 -11.187 1.00 0.00 C ATOM 1008 C GLU A 64 2.696 9.002 -11.639 1.00 0.00 C ATOM 1009 O GLU A 64 2.198 8.079 -11.002 1.00 0.00 O ATOM 1010 CB GLU A 64 1.348 11.094 -12.001 1.00 0.00 C ATOM 1011 CG GLU A 64 0.513 12.055 -11.171 1.00 0.00 C ATOM 1012 CD GLU A 64 1.050 13.472 -11.202 1.00 0.00 C ATOM 1013 OE1 GLU A 64 1.718 13.833 -12.194 1.00 0.00 O ATOM 1014 OE2 GLU A 64 0.803 14.222 -10.234 1.00 0.00 O ATOM 0 H GLU A 64 3.723 12.030 -11.838 1.00 0.00 H new ATOM 0 HA GLU A 64 2.153 10.446 -10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.777 11.629 -12.848 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.703 10.316 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.513 12.051 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.482 11.705 -10.139 1.00 0.00 H new ATOM 1021 N ASP A 65 3.459 8.794 -12.719 1.00 0.00 N ATOM 1022 CA ASP A 65 3.738 7.437 -13.188 1.00 0.00 C ATOM 1023 C ASP A 65 4.157 6.583 -12.002 1.00 0.00 C ATOM 1024 O ASP A 65 3.548 5.555 -11.709 1.00 0.00 O ATOM 1025 CB ASP A 65 4.856 7.461 -14.223 1.00 0.00 C ATOM 1026 CG ASP A 65 5.013 6.136 -14.942 1.00 0.00 C ATOM 1027 OD1 ASP A 65 4.021 5.380 -15.015 1.00 0.00 O ATOM 1028 OD2 ASP A 65 6.126 5.854 -15.432 1.00 0.00 O ATOM 0 H ASP A 65 3.886 9.535 -13.274 1.00 0.00 H new ATOM 0 HA ASP A 65 2.843 7.019 -13.649 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.653 8.245 -14.953 1.00 0.00 H new ATOM 0 HB3 ASP A 65 5.795 7.717 -13.732 1.00 0.00 H new ATOM 1033 N SER A 66 5.172 7.062 -11.290 1.00 0.00 N ATOM 1034 CA SER A 66 5.646 6.390 -10.086 1.00 0.00 C ATOM 1035 C SER A 66 4.507 6.353 -9.074 1.00 0.00 C ATOM 1036 O SER A 66 4.082 5.296 -8.612 1.00 0.00 O ATOM 1037 CB SER A 66 6.843 7.136 -9.493 1.00 0.00 C ATOM 1038 OG SER A 66 7.361 6.454 -8.364 1.00 0.00 O ATOM 0 H SER A 66 5.682 7.913 -11.526 1.00 0.00 H new ATOM 0 HA SER A 66 5.964 5.377 -10.333 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.622 7.239 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.542 8.144 -9.206 1.00 0.00 H new ATOM 0 HG SER A 66 8.152 5.939 -8.627 1.00 0.00 H new ATOM 1044 N LEU A 67 4.017 7.546 -8.770 1.00 0.00 N ATOM 1045 CA LEU A 67 2.909 7.761 -7.841 1.00 0.00 C ATOM 1046 C LEU A 67 1.811 6.712 -8.008 1.00 0.00 C ATOM 1047 O LEU A 67 1.504 5.977 -7.070 1.00 0.00 O ATOM 1048 CB LEU A 67 2.371 9.187 -8.083 1.00 0.00 C ATOM 1049 CG LEU A 67 1.016 9.568 -7.476 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.761 11.051 -7.673 1.00 0.00 C ATOM 1051 CD2 LEU A 67 -0.127 8.763 -8.078 1.00 0.00 C ATOM 0 H LEU A 67 4.383 8.411 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 67 3.261 7.658 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.113 9.890 -7.706 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.307 9.339 -9.160 1.00 0.00 H new ATOM 0 HG LEU A 67 1.056 9.337 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.204 11.315 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.548 11.624 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.755 11.281 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.067 9.066 -7.618 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.173 8.944 -9.152 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.040 7.701 -7.896 1.00 0.00 H new ATOM 1063 N ALA A 68 1.219 6.639 -9.191 1.00 0.00 N ATOM 1064 CA ALA A 68 0.159 5.672 -9.438 1.00 0.00 C ATOM 1065 C ALA A 68 0.704 4.255 -9.353 1.00 0.00 C ATOM 1066 O ALA A 68 0.029 3.347 -8.869 1.00 0.00 O ATOM 1067 CB ALA A 68 -0.483 5.919 -10.795 1.00 0.00 C ATOM 0 H ALA A 68 1.451 7.231 -9.988 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.606 5.793 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.273 5.187 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.907 6.923 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.271 5.825 -11.577 1.00 0.00 H new ATOM 1073 N HIS A 69 1.940 4.073 -9.810 1.00 0.00 N ATOM 1074 CA HIS A 69 2.581 2.765 -9.767 1.00 0.00 C ATOM 1075 C HIS A 69 2.541 2.214 -8.347 1.00 0.00 C ATOM 1076 O HIS A 69 2.334 1.021 -8.133 1.00 0.00 O ATOM 1077 CB HIS A 69 4.030 2.860 -10.250 1.00 0.00 C ATOM 1078 CG HIS A 69 4.639 1.532 -10.577 1.00 0.00 C ATOM 1079 ND1 HIS A 69 5.936 1.389 -11.024 1.00 0.00 N ATOM 1080 CD2 HIS A 69 4.122 0.282 -10.520 1.00 0.00 C ATOM 1081 CE1 HIS A 69 6.190 0.108 -11.228 1.00 0.00 C ATOM 1082 NE2 HIS A 69 5.106 -0.584 -10.930 1.00 0.00 N ATOM 0 H HIS A 69 2.515 4.813 -10.213 1.00 0.00 H new ATOM 0 HA HIS A 69 2.039 2.090 -10.429 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.069 3.496 -11.134 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.630 3.346 -9.481 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.122 0.016 -10.210 1.00 0.00 H new ATOM 0 HE1 HIS A 69 7.125 -0.303 -11.579 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.014 -1.598 -10.994 1.00 0.00 H new ATOM 1091 N MET A 70 2.741 3.104 -7.381 1.00 0.00 N ATOM 1092 CA MET A 70 2.731 2.727 -5.970 1.00 0.00 C ATOM 1093 C MET A 70 1.299 2.568 -5.440 1.00 0.00 C ATOM 1094 O MET A 70 0.939 1.504 -4.936 1.00 0.00 O ATOM 1095 CB MET A 70 3.489 3.777 -5.152 1.00 0.00 C ATOM 1096 CG MET A 70 4.848 4.124 -5.729 1.00 0.00 C ATOM 1097 SD MET A 70 5.911 2.680 -5.923 1.00 0.00 S ATOM 1098 CE MET A 70 6.759 3.086 -7.447 1.00 0.00 C ATOM 0 H MET A 70 2.913 4.095 -7.549 1.00 0.00 H new ATOM 0 HA MET A 70 3.227 1.761 -5.870 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.886 4.683 -5.090 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.618 3.410 -4.134 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.715 4.605 -6.698 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.340 4.848 -5.079 1.00 0.00 H new ATOM 0 HE1 MET A 70 6.403 2.435 -8.246 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.559 4.125 -7.709 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.832 2.945 -7.315 1.00 0.00 H new ATOM 1108 N GLN A 71 0.484 3.625 -5.541 1.00 0.00 N ATOM 1109 CA GLN A 71 -0.896 3.566 -5.051 1.00 0.00 C ATOM 1110 C GLN A 71 -1.687 2.431 -5.702 1.00 0.00 C ATOM 1111 O GLN A 71 -2.621 1.900 -5.101 1.00 0.00 O ATOM 1112 CB GLN A 71 -1.648 4.898 -5.242 1.00 0.00 C ATOM 1113 CG GLN A 71 -1.312 5.667 -6.504 1.00 0.00 C ATOM 1114 CD GLN A 71 -2.552 6.062 -7.286 1.00 0.00 C ATOM 1115 OE1 GLN A 71 -3.213 7.050 -6.965 1.00 0.00 O ATOM 1116 NE2 GLN A 71 -2.873 5.290 -8.317 1.00 0.00 N ATOM 0 H GLN A 71 0.752 4.519 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.819 3.370 -3.982 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.719 4.694 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.442 5.537 -4.383 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.750 6.563 -6.242 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.665 5.059 -7.136 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.296 4.481 -8.547 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.696 5.506 -8.879 1.00 0.00 H new ATOM 1125 N ASN A 72 -1.320 2.058 -6.925 1.00 0.00 N ATOM 1126 CA ASN A 72 -2.017 0.984 -7.628 1.00 0.00 C ATOM 1127 C ASN A 72 -1.506 -0.384 -7.186 1.00 0.00 C ATOM 1128 O ASN A 72 -2.294 -1.289 -6.907 1.00 0.00 O ATOM 1129 CB ASN A 72 -1.860 1.136 -9.141 1.00 0.00 C ATOM 1130 CG ASN A 72 -3.041 0.566 -9.903 1.00 0.00 C ATOM 1131 OD1 ASN A 72 -3.589 -0.473 -9.535 1.00 0.00 O ATOM 1132 ND2 ASN A 72 -3.438 1.245 -10.973 1.00 0.00 N ATOM 0 H ASN A 72 -0.551 2.479 -7.446 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.075 1.056 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.747 2.192 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.947 0.634 -9.461 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.227 0.910 -11.526 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -2.954 2.102 -11.242 1.00 0.00 H new ATOM 1139 N VAL A 73 -0.183 -0.531 -7.122 1.00 0.00 N ATOM 1140 CA VAL A 73 0.435 -1.789 -6.711 1.00 0.00 C ATOM 1141 C VAL A 73 -0.253 -2.357 -5.469 1.00 0.00 C ATOM 1142 O VAL A 73 -0.477 -3.563 -5.370 1.00 0.00 O ATOM 1143 CB VAL A 73 1.947 -1.600 -6.440 1.00 0.00 C ATOM 1144 CG1 VAL A 73 2.484 -2.657 -5.482 1.00 0.00 C ATOM 1145 CG2 VAL A 73 2.725 -1.625 -7.747 1.00 0.00 C ATOM 0 H VAL A 73 0.482 0.208 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 73 0.314 -2.499 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 73 2.079 -0.628 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.548 -2.491 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.954 -2.590 -4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.334 -3.647 -5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.787 -1.491 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.570 -2.582 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.376 -0.820 -8.393 1.00 0.00 H new ATOM 1155 N VAL A 74 -0.587 -1.480 -4.530 1.00 0.00 N ATOM 1156 CA VAL A 74 -1.254 -1.901 -3.300 1.00 0.00 C ATOM 1157 C VAL A 74 -2.699 -2.313 -3.577 1.00 0.00 C ATOM 1158 O VAL A 74 -3.144 -3.365 -3.118 1.00 0.00 O ATOM 1159 CB VAL A 74 -1.235 -0.792 -2.227 1.00 0.00 C ATOM 1160 CG1 VAL A 74 -1.994 -1.225 -0.976 1.00 0.00 C ATOM 1161 CG2 VAL A 74 0.195 -0.403 -1.871 1.00 0.00 C ATOM 0 H VAL A 74 -0.409 -0.478 -4.594 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.699 -2.758 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.736 0.081 -2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.964 -0.424 -0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.030 -1.441 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.530 -2.120 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.181 0.380 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.723 -1.274 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.705 -0.036 -2.762 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.431 -1.492 -4.340 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.817 -1.803 -4.679 1.00 0.00 C ATOM 1173 C ALA A 75 -4.928 -3.243 -5.159 1.00 0.00 C ATOM 1174 O ALA A 75 -5.967 -3.886 -5.012 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.340 -0.848 -5.744 1.00 0.00 C ATOM 0 H ALA A 75 -3.086 -0.615 -4.730 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.427 -1.682 -3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.374 -1.098 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.291 0.175 -5.371 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.730 -0.936 -6.643 1.00 0.00 H new ATOM 1181 N ASP A 76 -3.834 -3.741 -5.725 1.00 0.00 N ATOM 1182 CA ASP A 76 -3.784 -5.109 -6.223 1.00 0.00 C ATOM 1183 C ASP A 76 -3.624 -6.100 -5.071 1.00 0.00 C ATOM 1184 O ASP A 76 -4.253 -7.158 -5.060 1.00 0.00 O ATOM 1185 CB ASP A 76 -2.632 -5.272 -7.216 1.00 0.00 C ATOM 1186 CG ASP A 76 -2.993 -6.177 -8.377 1.00 0.00 C ATOM 1187 OD1 ASP A 76 -3.572 -5.676 -9.364 1.00 0.00 O ATOM 1188 OD2 ASP A 76 -2.698 -7.389 -8.299 1.00 0.00 O ATOM 0 H ASP A 76 -2.969 -3.216 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.724 -5.319 -6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -2.344 -4.293 -7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -1.764 -5.679 -6.698 1.00 0.00 H new ATOM 1193 N HIS A 77 -2.774 -5.754 -4.105 1.00 0.00 N ATOM 1194 CA HIS A 77 -2.534 -6.623 -2.954 1.00 0.00 C ATOM 1195 C HIS A 77 -3.825 -6.878 -2.174 1.00 0.00 C ATOM 1196 O HIS A 77 -4.092 -8.006 -1.761 1.00 0.00 O ATOM 1197 CB HIS A 77 -1.464 -6.022 -2.036 1.00 0.00 C ATOM 1198 CG HIS A 77 -0.200 -5.654 -2.750 1.00 0.00 C ATOM 1199 ND1 HIS A 77 0.019 -5.927 -4.085 1.00 0.00 N ATOM 1200 CD2 HIS A 77 0.920 -5.034 -2.307 1.00 0.00 C ATOM 1201 CE1 HIS A 77 1.217 -5.492 -4.431 1.00 0.00 C ATOM 1202 NE2 HIS A 77 1.784 -4.946 -3.371 1.00 0.00 N ATOM 0 H HIS A 77 -2.243 -4.883 -4.096 1.00 0.00 H new ATOM 0 HA HIS A 77 -2.172 -7.580 -3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -1.870 -5.134 -1.552 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -1.231 -6.737 -1.247 1.00 0.00 H new ATOM 0 HD2 HIS A 77 1.100 -4.676 -1.304 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.658 -5.570 -5.414 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.713 -4.527 -3.346 1.00 0.00 H new ATOM 1211 N LEU A 78 -4.630 -5.833 -1.983 1.00 0.00 N ATOM 1212 CA LEU A 78 -5.890 -5.966 -1.266 1.00 0.00 C ATOM 1213 C LEU A 78 -6.839 -6.885 -2.032 1.00 0.00 C ATOM 1214 O LEU A 78 -7.715 -7.519 -1.446 1.00 0.00 O ATOM 1215 CB LEU A 78 -6.540 -4.589 -1.069 1.00 0.00 C ATOM 1216 CG LEU A 78 -5.831 -3.640 -0.091 1.00 0.00 C ATOM 1217 CD1 LEU A 78 -6.762 -2.507 0.312 1.00 0.00 C ATOM 1218 CD2 LEU A 78 -5.347 -4.390 1.142 1.00 0.00 C ATOM 0 H LEU A 78 -4.430 -4.890 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.687 -6.402 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.602 -4.097 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.562 -4.739 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.961 -3.219 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.247 -1.842 1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -7.059 -1.947 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.648 -2.919 0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.849 -3.695 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.198 -4.843 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.647 -5.170 0.842 1.00 0.00 H new ATOM 1230 N GLN A 79 -6.661 -6.943 -3.350 1.00 0.00 N ATOM 1231 CA GLN A 79 -7.505 -7.777 -4.202 1.00 0.00 C ATOM 1232 C GLN A 79 -7.177 -9.265 -4.047 1.00 0.00 C ATOM 1233 O GLN A 79 -8.081 -10.096 -3.957 1.00 0.00 O ATOM 1234 CB GLN A 79 -7.359 -7.350 -5.668 1.00 0.00 C ATOM 1235 CG GLN A 79 -7.977 -8.325 -6.659 1.00 0.00 C ATOM 1236 CD GLN A 79 -8.003 -7.782 -8.074 1.00 0.00 C ATOM 1237 OE1 GLN A 79 -8.547 -6.581 -8.239 1.00 0.00 O flip ATOM 1238 NE2 GLN A 79 -7.538 -8.433 -9.010 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.940 -6.423 -3.851 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.538 -7.635 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.822 -6.372 -5.799 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.300 -7.235 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -7.415 -9.259 -6.643 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.994 -8.560 -6.345 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.129 -9.352 -8.839 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.561 -8.054 -9.956 1.00 0.00 H new ATOM 1247 N ARG A 80 -5.891 -9.599 -4.018 1.00 0.00 N ATOM 1248 CA ARG A 80 -5.469 -10.990 -3.876 1.00 0.00 C ATOM 1249 C ARG A 80 -5.978 -11.567 -2.568 1.00 0.00 C ATOM 1250 O ARG A 80 -6.355 -12.736 -2.490 1.00 0.00 O ATOM 1251 CB ARG A 80 -3.945 -11.094 -3.924 1.00 0.00 C ATOM 1252 CG ARG A 80 -3.334 -10.428 -5.141 1.00 0.00 C ATOM 1253 CD ARG A 80 -2.204 -11.259 -5.729 1.00 0.00 C ATOM 1254 NE ARG A 80 -1.426 -10.507 -6.711 1.00 0.00 N ATOM 1255 CZ ARG A 80 -1.875 -10.186 -7.923 1.00 0.00 C ATOM 1256 NH1 ARG A 80 -3.093 -10.549 -8.305 1.00 0.00 N ATOM 1257 NH2 ARG A 80 -1.103 -9.499 -8.754 1.00 0.00 N ATOM 0 H ARG A 80 -5.125 -8.929 -4.091 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.890 -11.560 -4.704 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -3.529 -10.641 -3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.660 -12.146 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.104 -10.274 -5.897 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -2.956 -9.443 -4.866 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -1.547 -11.597 -4.927 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.617 -12.151 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.485 -10.211 -6.453 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -3.691 -11.077 -7.669 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -3.431 -10.300 -9.235 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.166 -9.217 -8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.446 -9.253 -9.683 1.00 0.00 H new ATOM 1271 N MET A 81 -5.977 -10.733 -1.542 1.00 0.00 N ATOM 1272 CA MET A 81 -6.432 -11.151 -0.219 1.00 0.00 C ATOM 1273 C MET A 81 -7.956 -11.109 -0.102 1.00 0.00 C ATOM 1274 O MET A 81 -8.527 -11.654 0.843 1.00 0.00 O ATOM 1275 CB MET A 81 -5.787 -10.289 0.871 1.00 0.00 C ATOM 1276 CG MET A 81 -6.100 -8.799 0.787 1.00 0.00 C ATOM 1277 SD MET A 81 -7.778 -8.394 1.310 1.00 0.00 S ATOM 1278 CE MET A 81 -7.468 -6.988 2.374 1.00 0.00 C ATOM 0 H MET A 81 -5.667 -9.763 -1.595 1.00 0.00 H new ATOM 0 HA MET A 81 -6.120 -12.186 -0.080 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.111 -10.658 1.844 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.706 -10.421 0.824 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.391 -8.250 1.407 1.00 0.00 H new ATOM 0 HG3 MET A 81 -5.955 -8.461 -0.239 1.00 0.00 H new ATOM 0 HE1 MET A 81 -7.823 -7.208 3.381 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.398 -6.783 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 81 -7.994 -6.116 1.987 1.00 0.00 H new ATOM 1288 N ALA A 82 -8.611 -10.463 -1.062 1.00 0.00 N ATOM 1289 CA ALA A 82 -10.068 -10.359 -1.054 1.00 0.00 C ATOM 1290 C ALA A 82 -10.646 -10.682 -2.428 1.00 0.00 C ATOM 1291 O ALA A 82 -10.802 -9.798 -3.271 1.00 0.00 O ATOM 1292 CB ALA A 82 -10.495 -8.965 -0.613 1.00 0.00 C ATOM 0 H ALA A 82 -8.159 -10.005 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.458 -11.088 -0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.583 -8.901 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.119 -8.770 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.089 -8.225 -1.303 1.00 0.00 H new ATOM 1298 N ASN A 83 -10.958 -11.956 -2.649 1.00 0.00 N ATOM 1299 CA ASN A 83 -11.514 -12.398 -3.923 1.00 0.00 C ATOM 1300 C ASN A 83 -13.028 -12.213 -3.954 1.00 0.00 C ATOM 1301 O ASN A 83 -13.756 -12.830 -3.176 1.00 0.00 O ATOM 1302 CB ASN A 83 -11.164 -13.866 -4.172 1.00 0.00 C ATOM 1303 CG ASN A 83 -9.694 -14.157 -3.946 1.00 0.00 C ATOM 1304 OD1 ASN A 83 -9.307 -14.684 -2.903 1.00 0.00 O ATOM 1305 ND2 ASN A 83 -8.865 -13.812 -4.924 1.00 0.00 N ATOM 0 H ASN A 83 -10.835 -12.700 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 83 -11.077 -11.786 -4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -11.762 -14.496 -3.513 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -11.431 -14.132 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.864 -13.982 -4.828 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -9.229 -13.377 -5.772 1.00 0.00 H new ATOM 1312 N SER A 84 -13.495 -11.358 -4.860 1.00 0.00 N ATOM 1313 CA SER A 84 -14.924 -11.087 -5.001 1.00 0.00 C ATOM 1314 C SER A 84 -15.163 -9.951 -5.991 1.00 0.00 C ATOM 1315 O SER A 84 -16.142 -9.957 -6.736 1.00 0.00 O ATOM 1316 CB SER A 84 -15.539 -10.731 -3.645 1.00 0.00 C ATOM 1317 OG SER A 84 -14.718 -9.819 -2.936 1.00 0.00 O ATOM 0 H SER A 84 -12.903 -10.839 -5.509 1.00 0.00 H new ATOM 0 HA SER A 84 -15.402 -11.990 -5.381 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.527 -10.296 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 84 -15.675 -11.637 -3.055 1.00 0.00 H new ATOM 0 HG SER A 84 -15.073 -8.911 -3.039 1.00 0.00 H new ATOM 1323 N GLU A 85 -14.260 -8.976 -5.988 1.00 0.00 N ATOM 1324 CA GLU A 85 -14.364 -7.828 -6.881 1.00 0.00 C ATOM 1325 C GLU A 85 -13.024 -7.112 -6.990 1.00 0.00 C ATOM 1326 O GLU A 85 -12.118 -7.354 -6.193 1.00 0.00 O ATOM 1327 CB GLU A 85 -15.430 -6.855 -6.368 1.00 0.00 C ATOM 1328 CG GLU A 85 -15.050 -6.168 -5.063 1.00 0.00 C ATOM 1329 CD GLU A 85 -15.934 -6.586 -3.904 1.00 0.00 C ATOM 1330 OE1 GLU A 85 -17.151 -6.309 -3.955 1.00 0.00 O ATOM 1331 OE2 GLU A 85 -15.409 -7.192 -2.946 1.00 0.00 O ATOM 0 H GLU A 85 -13.445 -8.958 -5.375 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.652 -8.187 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.614 -6.096 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.365 -7.396 -6.225 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.012 -6.399 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.115 -5.088 -5.193 1.00 0.00 H new ATOM 1338 N SER A 86 -12.900 -6.222 -7.970 1.00 0.00 N ATOM 1339 CA SER A 86 -11.663 -5.476 -8.150 1.00 0.00 C ATOM 1340 C SER A 86 -11.516 -4.442 -7.040 1.00 0.00 C ATOM 1341 O SER A 86 -11.646 -3.242 -7.276 1.00 0.00 O ATOM 1342 CB SER A 86 -11.646 -4.790 -9.517 1.00 0.00 C ATOM 1343 OG SER A 86 -12.891 -4.175 -9.796 1.00 0.00 O ATOM 0 H SER A 86 -13.633 -6.003 -8.644 1.00 0.00 H new ATOM 0 HA SER A 86 -10.824 -6.170 -8.103 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.854 -4.042 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.417 -5.522 -10.292 1.00 0.00 H new ATOM 0 HG SER A 86 -13.095 -3.518 -9.098 1.00 0.00 H new ATOM 1349 N LEU A 87 -11.253 -4.939 -5.829 1.00 0.00 N ATOM 1350 CA LEU A 87 -11.088 -4.107 -4.625 1.00 0.00 C ATOM 1351 C LEU A 87 -11.725 -2.734 -4.751 1.00 0.00 C ATOM 1352 O LEU A 87 -11.191 -1.853 -5.426 1.00 0.00 O ATOM 1353 CB LEU A 87 -9.608 -3.906 -4.267 1.00 0.00 C ATOM 1354 CG LEU A 87 -9.170 -4.443 -2.901 1.00 0.00 C ATOM 1355 CD1 LEU A 87 -9.306 -3.358 -1.844 1.00 0.00 C ATOM 1356 CD2 LEU A 87 -9.958 -5.681 -2.487 1.00 0.00 C ATOM 0 H LEU A 87 -11.147 -5.938 -5.650 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.598 -4.662 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.000 -4.384 -5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.387 -2.839 -4.304 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.124 -4.738 -2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.992 -3.751 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.678 -2.508 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.346 -3.036 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.611 -6.024 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.018 -5.435 -2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.809 -6.470 -3.224 1.00 0.00 H new ATOM 1368 N GLU A 88 -12.830 -2.529 -4.055 1.00 0.00 N ATOM 1369 CA GLU A 88 -13.465 -1.227 -4.070 1.00 0.00 C ATOM 1370 C GLU A 88 -12.588 -0.270 -3.279 1.00 0.00 C ATOM 1371 O GLU A 88 -12.637 -0.242 -2.050 1.00 0.00 O ATOM 1372 CB GLU A 88 -14.865 -1.291 -3.453 1.00 0.00 C ATOM 1373 CG GLU A 88 -15.935 -1.785 -4.415 1.00 0.00 C ATOM 1374 CD GLU A 88 -17.080 -0.802 -4.571 1.00 0.00 C ATOM 1375 OE1 GLU A 88 -16.839 0.416 -4.436 1.00 0.00 O ATOM 1376 OE2 GLU A 88 -18.217 -1.251 -4.828 1.00 0.00 O ATOM 0 H GLU A 88 -13.297 -3.233 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 88 -13.576 -0.884 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.840 -1.948 -2.583 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -15.141 -0.299 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.484 -1.969 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.326 -2.738 -4.059 1.00 0.00 H new ATOM 1383 N ILE A 89 -11.771 0.501 -3.985 1.00 0.00 N ATOM 1384 CA ILE A 89 -10.871 1.439 -3.332 1.00 0.00 C ATOM 1385 C ILE A 89 -10.932 2.810 -4.001 1.00 0.00 C ATOM 1386 O ILE A 89 -10.792 2.911 -5.220 1.00 0.00 O ATOM 1387 CB ILE A 89 -9.400 0.916 -3.323 1.00 0.00 C ATOM 1388 CG1 ILE A 89 -8.670 1.190 -4.650 1.00 0.00 C ATOM 1389 CG2 ILE A 89 -9.371 -0.572 -3.022 1.00 0.00 C ATOM 1390 CD1 ILE A 89 -8.989 0.189 -5.742 1.00 0.00 C ATOM 0 H ILE A 89 -11.714 0.495 -5.003 1.00 0.00 H new ATOM 0 HA ILE A 89 -11.204 1.535 -2.298 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.875 1.462 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.932 2.189 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.595 1.187 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.339 -0.923 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -9.819 -0.754 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.934 -1.109 -3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.437 0.448 -6.646 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.701 -0.810 -5.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.058 0.208 -5.952 1.00 0.00 H new ATOM 1402 N ALA A 90 -11.125 3.871 -3.217 1.00 0.00 N ATOM 1403 CA ALA A 90 -11.166 5.203 -3.799 1.00 0.00 C ATOM 1404 C ALA A 90 -9.787 5.834 -3.730 1.00 0.00 C ATOM 1405 O ALA A 90 -9.295 6.166 -2.652 1.00 0.00 O ATOM 1406 CB ALA A 90 -12.191 6.092 -3.101 1.00 0.00 C ATOM 0 H ALA A 90 -11.252 3.834 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.472 5.108 -4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.192 7.079 -3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -13.182 5.647 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.933 6.186 -2.046 1.00 0.00 H new ATOM 1412 N TRP A 91 -9.170 5.993 -4.889 1.00 0.00 N ATOM 1413 CA TRP A 91 -7.842 6.581 -4.969 1.00 0.00 C ATOM 1414 C TRP A 91 -7.925 8.074 -5.252 1.00 0.00 C ATOM 1415 O TRP A 91 -8.660 8.510 -6.138 1.00 0.00 O ATOM 1416 CB TRP A 91 -7.018 5.890 -6.056 1.00 0.00 C ATOM 1417 CG TRP A 91 -7.673 5.914 -7.404 1.00 0.00 C ATOM 1418 CD1 TRP A 91 -8.543 4.991 -7.909 1.00 0.00 C ATOM 1419 CD2 TRP A 91 -7.511 6.911 -8.419 1.00 0.00 C ATOM 1420 NE1 TRP A 91 -8.932 5.353 -9.176 1.00 0.00 N ATOM 1421 CE2 TRP A 91 -8.312 6.528 -9.512 1.00 0.00 C ATOM 1422 CE3 TRP A 91 -6.767 8.091 -8.510 1.00 0.00 C ATOM 1423 CZ2 TRP A 91 -8.388 7.283 -10.680 1.00 0.00 C ATOM 1424 CZ3 TRP A 91 -6.844 8.839 -9.670 1.00 0.00 C ATOM 1425 CH2 TRP A 91 -7.650 8.432 -10.741 1.00 0.00 C ATOM 0 H TRP A 91 -9.567 5.723 -5.789 1.00 0.00 H new ATOM 0 HA TRP A 91 -7.352 6.438 -4.006 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -6.043 6.373 -6.125 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -6.841 4.855 -5.765 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -8.877 4.106 -7.389 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -9.577 4.832 -9.770 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -6.143 8.412 -7.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -9.008 6.972 -11.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -6.273 9.752 -9.752 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -7.689 9.039 -11.634 1.00 0.00 H new ATOM 1436 N GLN A 92 -7.164 8.853 -4.494 1.00 0.00 N ATOM 1437 CA GLN A 92 -7.149 10.299 -4.664 1.00 0.00 C ATOM 1438 C GLN A 92 -6.090 10.707 -5.685 1.00 0.00 C ATOM 1439 O GLN A 92 -5.086 10.016 -5.861 1.00 0.00 O ATOM 1440 CB GLN A 92 -6.880 10.989 -3.326 1.00 0.00 C ATOM 1441 CG GLN A 92 -8.002 10.817 -2.316 1.00 0.00 C ATOM 1442 CD GLN A 92 -7.656 11.393 -0.956 1.00 0.00 C ATOM 1443 OE1 GLN A 92 -6.751 12.217 -0.830 1.00 0.00 O ATOM 1444 NE2 GLN A 92 -8.378 10.959 0.071 1.00 0.00 N ATOM 0 H GLN A 92 -6.550 8.508 -3.756 1.00 0.00 H new ATOM 0 HA GLN A 92 -8.127 10.611 -5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -5.957 10.593 -2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.720 12.053 -3.501 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -8.903 11.301 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -8.231 9.757 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -9.119 10.275 -0.080 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -8.191 11.310 1.010 1.00 0.00 H new ATOM 1453 N PRO A 93 -6.304 11.838 -6.378 1.00 0.00 N ATOM 1454 CA PRO A 93 -5.370 12.335 -7.391 1.00 0.00 C ATOM 1455 C PRO A 93 -3.923 12.320 -6.917 1.00 0.00 C ATOM 1456 O PRO A 93 -3.014 12.034 -7.696 1.00 0.00 O ATOM 1457 CB PRO A 93 -5.826 13.771 -7.611 1.00 0.00 C ATOM 1458 CG PRO A 93 -7.284 13.757 -7.304 1.00 0.00 C ATOM 1459 CD PRO A 93 -7.480 12.718 -6.231 1.00 0.00 C ATOM 0 HA PRO A 93 -5.384 11.715 -8.287 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -5.291 14.461 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.640 14.093 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.619 14.736 -6.963 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -7.866 13.513 -8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.521 13.169 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.411 12.169 -6.370 1.00 0.00 H new ATOM 1467 N ALA A 94 -3.723 12.646 -5.637 1.00 0.00 N ATOM 1468 CA ALA A 94 -2.388 12.688 -5.032 1.00 0.00 C ATOM 1469 C ALA A 94 -1.834 14.109 -5.025 1.00 0.00 C ATOM 1470 O ALA A 94 -0.620 14.310 -4.994 1.00 0.00 O ATOM 1471 CB ALA A 94 -1.414 11.754 -5.746 1.00 0.00 C ATOM 0 H ALA A 94 -4.477 12.887 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.495 12.346 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.436 11.814 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.784 10.730 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.326 12.050 -6.791 1.00 0.00 H new ATOM 1477 N GLU A 95 -2.728 15.093 -5.055 1.00 0.00 N ATOM 1478 CA GLU A 95 -2.322 16.495 -5.052 1.00 0.00 C ATOM 1479 C GLU A 95 -1.399 16.797 -6.229 1.00 0.00 C ATOM 1480 O GLU A 95 -0.927 15.887 -6.910 1.00 0.00 O ATOM 1481 CB GLU A 95 -1.622 16.841 -3.736 1.00 0.00 C ATOM 1482 CG GLU A 95 -2.021 18.195 -3.172 1.00 0.00 C ATOM 1483 CD GLU A 95 -0.992 18.751 -2.207 1.00 0.00 C ATOM 1484 OE1 GLU A 95 0.138 19.045 -2.650 1.00 0.00 O ATOM 1485 OE2 GLU A 95 -1.316 18.892 -1.009 1.00 0.00 O ATOM 0 H GLU A 95 -3.737 14.946 -5.082 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.218 17.108 -5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.848 16.069 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.543 16.826 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.162 18.899 -3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.980 18.104 -2.662 1.00 0.00 H new ATOM 1492 N SER A 96 -1.146 18.081 -6.463 1.00 0.00 N ATOM 1493 CA SER A 96 -0.279 18.503 -7.557 1.00 0.00 C ATOM 1494 C SER A 96 0.921 19.283 -7.031 1.00 0.00 C ATOM 1495 O SER A 96 2.057 18.778 -7.159 1.00 0.00 O ATOM 1496 CB SER A 96 -1.061 19.359 -8.554 1.00 0.00 C ATOM 1497 OG SER A 96 -0.270 19.674 -9.687 1.00 0.00 O ATOM 1498 OXT SER A 96 0.716 20.393 -6.497 1.00 0.00 O ATOM 0 H SER A 96 -1.529 18.847 -5.909 1.00 0.00 H new ATOM 0 HA SER A 96 0.086 17.609 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.958 18.827 -8.870 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.390 20.278 -8.069 1.00 0.00 H new ATOM 0 HG SER A 96 -0.794 20.220 -10.310 1.00 0.00 H new TER 1504 SER A 96