USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 137:sc= -0.225 (180deg=-1.4!) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.437 (180deg=-0.602) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0502 USER MOD Single : A 8 THR OG1 : rot -150:sc= -0.453 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot -82:sc= 0.0563 USER MOD Single : A 22 GLN :FLIP amide:sc= -1.39 F(o=-2,f=-1.4) USER MOD Single : A 23 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.8!) USER MOD Single : A 24 GLN : amide:sc= -2.51 X(o=-2.5,f=-2.6) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00446) USER MOD Single : A 30 ASN : amide:sc= -0.0086 K(o=-0.0086,f=-1.6!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.5!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.00393 USER MOD Single : A 43 MET CE :methyl 164:sc= -0.256 (180deg=-1.34!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 74:sc= 0.0162 USER MOD Single : A 53 ASN : amide:sc= 0.642 K(o=0.64,f=-0.048) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.7!) USER MOD Single : A 66 MET CE :methyl -175:sc= -1.24 (180deg=-1.39) USER MOD Single : A 68 SER OG : rot 75:sc= 0.616 USER MOD Single : A 73 HIS : no HD1:sc=-0.000182 K(o=-0.00018,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00835) USER MOD Single : A 76 SER OG : rot 180:sc= 0.727 USER MOD Single : A 79 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.18) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -38:sc= 0.572 USER MOD Single : A 84 HIS : no HD1:sc= -4.04! C(o=-4!,f=-5.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.69) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.149 (180deg=-0.895) USER MOD Single : A 102 HIS : no HD1:sc= -3.02 X(o=-3,f=-3.1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 159:sc= -0.0162 (180deg=-0.503) USER MOD Single : A 113 ASN : amide:sc= -0.606 K(o=-0.61,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.794 4.556 13.511 1.00 0.00 N ATOM 2 CA MET A 1 19.336 4.617 13.809 1.00 0.00 C ATOM 3 C MET A 1 18.704 5.760 13.010 1.00 0.00 C ATOM 4 O MET A 1 17.534 6.055 13.146 1.00 0.00 O ATOM 5 CB MET A 1 19.140 4.863 15.308 1.00 0.00 C ATOM 6 CG MET A 1 19.647 3.649 16.092 1.00 0.00 C ATOM 7 SD MET A 1 19.424 3.932 17.867 1.00 0.00 S ATOM 8 CE MET A 1 17.616 3.979 17.880 1.00 0.00 C ATOM 0 H1 MET A 1 21.208 3.720 13.971 1.00 0.00 H new ATOM 0 H2 MET A 1 20.936 4.491 12.483 1.00 0.00 H new ATOM 0 H3 MET A 1 21.258 5.414 13.871 1.00 0.00 H new ATOM 0 HA MET A 1 18.860 3.677 13.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.680 5.759 15.614 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.086 5.036 15.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.105 2.754 15.786 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.700 3.475 15.871 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.243 3.412 18.733 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.279 5.013 17.956 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.234 3.540 16.958 1.00 0.00 H new ATOM 20 N GLY A 2 19.473 6.406 12.175 1.00 0.00 N ATOM 21 CA GLY A 2 18.923 7.530 11.364 1.00 0.00 C ATOM 22 C GLY A 2 17.983 6.975 10.281 1.00 0.00 C ATOM 23 O GLY A 2 18.024 5.801 9.970 1.00 0.00 O ATOM 0 H GLY A 2 20.460 6.203 12.019 1.00 0.00 H new ATOM 0 HA2 GLY A 2 18.383 8.225 12.007 1.00 0.00 H new ATOM 0 HA3 GLY A 2 19.736 8.090 10.902 1.00 0.00 H new ATOM 27 N PRO A 3 17.142 7.808 9.703 1.00 0.00 N ATOM 28 CA PRO A 3 16.205 7.343 8.641 1.00 0.00 C ATOM 29 C PRO A 3 16.922 6.505 7.569 1.00 0.00 C ATOM 30 O PRO A 3 18.077 6.729 7.265 1.00 0.00 O ATOM 31 CB PRO A 3 15.670 8.671 8.065 1.00 0.00 C ATOM 32 CG PRO A 3 16.140 9.828 8.976 1.00 0.00 C ATOM 33 CD PRO A 3 17.071 9.252 10.060 1.00 0.00 C ATOM 0 HA PRO A 3 15.421 6.685 9.016 1.00 0.00 H new ATOM 0 HB2 PRO A 3 16.036 8.817 7.049 1.00 0.00 H new ATOM 0 HB3 PRO A 3 14.582 8.649 8.012 1.00 0.00 H new ATOM 0 HG2 PRO A 3 16.664 10.583 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.283 10.320 9.436 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.054 9.722 10.040 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.667 9.401 11.061 1.00 0.00 H new ATOM 41 N VAL A 4 16.250 5.537 7.002 1.00 0.00 N ATOM 42 CA VAL A 4 16.899 4.687 5.964 1.00 0.00 C ATOM 43 C VAL A 4 16.853 5.403 4.595 1.00 0.00 C ATOM 44 O VAL A 4 15.899 6.095 4.300 1.00 0.00 O ATOM 45 CB VAL A 4 16.141 3.362 5.865 1.00 0.00 C ATOM 46 CG1 VAL A 4 16.451 2.501 7.091 1.00 0.00 C ATOM 47 CG2 VAL A 4 14.636 3.638 5.807 1.00 0.00 C ATOM 0 H VAL A 4 15.281 5.300 7.214 1.00 0.00 H new ATOM 0 HA VAL A 4 17.938 4.506 6.239 1.00 0.00 H new ATOM 0 HB VAL A 4 16.451 2.835 4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 4 15.910 1.557 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 4 17.522 2.303 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 4 16.142 3.028 7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.095 2.694 5.736 1.00 0.00 H new ATOM 0 HG22 VAL A 4 14.328 4.166 6.709 1.00 0.00 H new ATOM 0 HG23 VAL A 4 14.412 4.251 4.934 1.00 0.00 H new ATOM 57 N PRO A 5 17.859 5.240 3.749 1.00 0.00 N ATOM 58 CA PRO A 5 17.843 5.902 2.411 1.00 0.00 C ATOM 59 C PRO A 5 16.526 5.627 1.651 1.00 0.00 C ATOM 60 O PRO A 5 15.756 4.773 2.043 1.00 0.00 O ATOM 61 CB PRO A 5 19.048 5.246 1.698 1.00 0.00 C ATOM 62 CG PRO A 5 19.835 4.409 2.729 1.00 0.00 C ATOM 63 CD PRO A 5 19.060 4.410 4.058 1.00 0.00 C ATOM 0 HA PRO A 5 17.908 6.988 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.705 4.613 0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.691 6.010 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.965 3.389 2.368 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.832 4.826 2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.785 3.401 4.365 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.649 4.840 4.868 1.00 0.00 H new ATOM 71 N PRO A 6 16.272 6.329 0.567 1.00 0.00 N ATOM 72 CA PRO A 6 15.026 6.101 -0.225 1.00 0.00 C ATOM 73 C PRO A 6 15.023 4.730 -0.919 1.00 0.00 C ATOM 74 O PRO A 6 14.108 3.944 -0.771 1.00 0.00 O ATOM 75 CB PRO A 6 15.079 7.243 -1.260 1.00 0.00 C ATOM 76 CG PRO A 6 16.496 7.846 -1.236 1.00 0.00 C ATOM 77 CD PRO A 6 17.190 7.391 0.060 1.00 0.00 C ATOM 0 HA PRO A 6 14.126 6.100 0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.843 6.866 -2.255 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.337 8.006 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.064 7.518 -2.107 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.447 8.934 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.191 7.004 -0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.295 8.209 0.772 1.00 0.00 H new ATOM 85 N SER A 7 16.039 4.456 -1.686 1.00 0.00 N ATOM 86 CA SER A 7 16.110 3.158 -2.412 1.00 0.00 C ATOM 87 C SER A 7 16.141 1.993 -1.422 1.00 0.00 C ATOM 88 O SER A 7 15.539 0.965 -1.648 1.00 0.00 O ATOM 89 CB SER A 7 17.380 3.126 -3.261 1.00 0.00 C ATOM 90 OG SER A 7 18.515 3.205 -2.409 1.00 0.00 O ATOM 0 H SER A 7 16.830 5.080 -1.843 1.00 0.00 H new ATOM 0 HA SER A 7 15.229 3.061 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.415 2.209 -3.849 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.381 3.957 -3.966 1.00 0.00 H new ATOM 0 HG SER A 7 19.332 3.183 -2.950 1.00 0.00 H new ATOM 96 N THR A 8 16.840 2.135 -0.334 1.00 0.00 N ATOM 97 CA THR A 8 16.906 1.016 0.650 1.00 0.00 C ATOM 98 C THR A 8 15.534 0.797 1.287 1.00 0.00 C ATOM 99 O THR A 8 15.107 -0.321 1.495 1.00 0.00 O ATOM 100 CB THR A 8 17.925 1.355 1.737 1.00 0.00 C ATOM 101 OG1 THR A 8 19.202 1.541 1.142 1.00 0.00 O ATOM 102 CG2 THR A 8 17.989 0.215 2.754 1.00 0.00 C ATOM 0 H THR A 8 17.367 2.971 -0.082 1.00 0.00 H new ATOM 0 HA THR A 8 17.209 0.104 0.135 1.00 0.00 H new ATOM 0 HB THR A 8 17.625 2.271 2.246 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.901 1.287 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.716 0.459 3.528 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.008 0.077 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.289 -0.705 2.251 1.00 0.00 H new ATOM 110 N ALA A 9 14.837 1.852 1.596 1.00 0.00 N ATOM 111 CA ALA A 9 13.494 1.699 2.217 1.00 0.00 C ATOM 112 C ALA A 9 12.563 0.964 1.251 1.00 0.00 C ATOM 113 O ALA A 9 11.830 0.075 1.637 1.00 0.00 O ATOM 114 CB ALA A 9 12.921 3.083 2.524 1.00 0.00 C ATOM 0 H ALA A 9 15.139 2.815 1.445 1.00 0.00 H new ATOM 0 HA ALA A 9 13.582 1.125 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.936 2.976 2.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.584 3.607 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.833 3.654 1.600 1.00 0.00 H new ATOM 120 N LEU A 10 12.581 1.331 -0.001 1.00 0.00 N ATOM 121 CA LEU A 10 11.689 0.654 -0.984 1.00 0.00 C ATOM 122 C LEU A 10 12.062 -0.831 -1.060 1.00 0.00 C ATOM 123 O LEU A 10 11.208 -1.695 -1.057 1.00 0.00 O ATOM 124 CB LEU A 10 11.858 1.310 -2.359 1.00 0.00 C ATOM 125 CG LEU A 10 10.930 0.646 -3.389 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.459 0.938 -3.053 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.258 1.206 -4.771 1.00 0.00 C ATOM 0 H LEU A 10 13.173 2.068 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 10 10.649 0.748 -0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.633 2.374 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.894 1.223 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 10 11.081 -0.433 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.815 0.461 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.227 0.546 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.290 2.015 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.608 0.745 -5.514 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.103 2.285 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.298 0.989 -5.014 1.00 0.00 H new ATOM 139 N ARG A 11 13.332 -1.135 -1.122 1.00 0.00 N ATOM 140 CA ARG A 11 13.751 -2.565 -1.192 1.00 0.00 C ATOM 141 C ARG A 11 13.245 -3.287 0.058 1.00 0.00 C ATOM 142 O ARG A 11 12.723 -4.382 -0.008 1.00 0.00 O ATOM 143 CB ARG A 11 15.281 -2.645 -1.222 1.00 0.00 C ATOM 144 CG ARG A 11 15.816 -2.124 -2.559 1.00 0.00 C ATOM 145 CD ARG A 11 17.347 -2.173 -2.536 1.00 0.00 C ATOM 146 NE ARG A 11 17.902 -1.454 -3.716 1.00 0.00 N ATOM 147 CZ ARG A 11 19.146 -1.053 -3.705 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.888 -1.261 -2.652 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.644 -0.435 -4.741 1.00 0.00 N ATOM 0 H ARG A 11 14.094 -0.457 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 11 13.340 -3.027 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.698 -2.059 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.601 -3.676 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.432 -2.730 -3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.474 -1.103 -2.729 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.719 -1.720 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.685 -3.209 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 11 17.314 -1.275 -4.530 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.497 -1.736 -1.838 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.859 -0.948 -2.642 1.00 0.00 H new ATOM 0 HH21 ARG A 11 19.062 -0.264 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.615 -0.123 -4.730 1.00 0.00 H new ATOM 163 N GLU A 12 13.397 -2.669 1.196 1.00 0.00 N ATOM 164 CA GLU A 12 12.931 -3.294 2.465 1.00 0.00 C ATOM 165 C GLU A 12 11.406 -3.437 2.452 1.00 0.00 C ATOM 166 O GLU A 12 10.862 -4.424 2.907 1.00 0.00 O ATOM 167 CB GLU A 12 13.348 -2.408 3.643 1.00 0.00 C ATOM 168 CG GLU A 12 14.866 -2.470 3.822 1.00 0.00 C ATOM 169 CD GLU A 12 15.284 -1.498 4.927 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.432 -0.759 5.391 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.448 -1.509 5.291 1.00 0.00 O ATOM 0 H GLU A 12 13.828 -1.750 1.302 1.00 0.00 H new ATOM 0 HA GLU A 12 13.379 -4.282 2.565 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.035 -1.379 3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.851 -2.740 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.173 -3.484 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.365 -2.213 2.888 1.00 0.00 H new ATOM 178 N LEU A 13 10.712 -2.454 1.948 1.00 0.00 N ATOM 179 CA LEU A 13 9.222 -2.523 1.921 1.00 0.00 C ATOM 180 C LEU A 13 8.751 -3.561 0.898 1.00 0.00 C ATOM 181 O LEU A 13 7.877 -4.358 1.173 1.00 0.00 O ATOM 182 CB LEU A 13 8.668 -1.140 1.546 1.00 0.00 C ATOM 183 CG LEU A 13 7.133 -1.166 1.449 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.519 -1.477 2.820 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.646 0.204 0.969 1.00 0.00 C ATOM 0 H LEU A 13 11.113 -1.603 1.553 1.00 0.00 H new ATOM 0 HA LEU A 13 8.858 -2.819 2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.976 -0.407 2.292 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.090 -0.822 0.593 1.00 0.00 H new ATOM 0 HG LEU A 13 6.827 -1.941 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.432 -1.492 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.870 -2.450 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.817 -0.710 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.558 0.198 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.958 0.970 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.074 0.420 -0.010 1.00 0.00 H new ATOM 197 N ILE A 14 9.303 -3.555 -0.284 1.00 0.00 N ATOM 198 CA ILE A 14 8.852 -4.539 -1.308 1.00 0.00 C ATOM 199 C ILE A 14 9.082 -5.964 -0.797 1.00 0.00 C ATOM 200 O ILE A 14 8.217 -6.814 -0.886 1.00 0.00 O ATOM 201 CB ILE A 14 9.626 -4.336 -2.622 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.188 -3.019 -3.280 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.328 -5.505 -3.573 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.092 -2.708 -4.479 1.00 0.00 C ATOM 0 H ILE A 14 10.041 -2.917 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 14 7.789 -4.385 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 14 10.695 -4.297 -2.412 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.150 -3.093 -3.605 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.238 -2.206 -2.555 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.875 -5.364 -4.505 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.638 -6.441 -3.108 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.259 -5.541 -3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.775 -1.773 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.124 -2.615 -4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.020 -3.515 -5.208 1.00 0.00 H new ATOM 216 N GLU A 15 10.248 -6.239 -0.290 1.00 0.00 N ATOM 217 CA GLU A 15 10.544 -7.613 0.197 1.00 0.00 C ATOM 218 C GLU A 15 9.574 -8.006 1.313 1.00 0.00 C ATOM 219 O GLU A 15 9.117 -9.131 1.376 1.00 0.00 O ATOM 220 CB GLU A 15 11.979 -7.656 0.723 1.00 0.00 C ATOM 221 CG GLU A 15 12.947 -7.505 -0.452 1.00 0.00 C ATOM 222 CD GLU A 15 14.388 -7.541 0.058 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.901 -6.488 0.399 1.00 0.00 O ATOM 224 OE2 GLU A 15 14.954 -8.621 0.097 1.00 0.00 O ATOM 0 H GLU A 15 11.012 -5.570 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 15 10.428 -8.318 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.138 -6.857 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.161 -8.597 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.786 -8.306 -1.173 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.759 -6.566 -0.972 1.00 0.00 H new ATOM 231 N GLU A 16 9.253 -7.102 2.198 1.00 0.00 N ATOM 232 CA GLU A 16 8.315 -7.460 3.299 1.00 0.00 C ATOM 233 C GLU A 16 6.906 -7.658 2.733 1.00 0.00 C ATOM 234 O GLU A 16 6.200 -8.567 3.120 1.00 0.00 O ATOM 235 CB GLU A 16 8.300 -6.347 4.350 1.00 0.00 C ATOM 236 CG GLU A 16 7.400 -6.762 5.517 1.00 0.00 C ATOM 237 CD GLU A 16 7.421 -5.678 6.595 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.188 -4.740 6.449 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.669 -5.802 7.547 1.00 0.00 O ATOM 0 H GLU A 16 9.595 -6.141 2.207 1.00 0.00 H new ATOM 0 HA GLU A 16 8.647 -8.387 3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.312 -6.155 4.707 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.937 -5.419 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.380 -6.918 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.742 -7.709 5.934 1.00 0.00 H new ATOM 246 N LEU A 17 6.489 -6.820 1.819 1.00 0.00 N ATOM 247 CA LEU A 17 5.124 -6.979 1.237 1.00 0.00 C ATOM 248 C LEU A 17 5.009 -8.346 0.560 1.00 0.00 C ATOM 249 O LEU A 17 4.033 -9.048 0.717 1.00 0.00 O ATOM 250 CB LEU A 17 4.865 -5.882 0.193 1.00 0.00 C ATOM 251 CG LEU A 17 4.718 -4.512 0.870 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.709 -3.425 -0.210 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.406 -4.446 1.679 1.00 0.00 C ATOM 0 H LEU A 17 7.031 -6.037 1.453 1.00 0.00 H new ATOM 0 HA LEU A 17 4.390 -6.899 2.038 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.687 -5.853 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.960 -6.114 -0.369 1.00 0.00 H new ATOM 0 HG LEU A 17 5.554 -4.358 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.605 -2.447 0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.643 -3.461 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.872 -3.593 -0.888 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.319 -3.468 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.559 -4.603 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.412 -5.220 2.446 1.00 0.00 H new ATOM 265 N VAL A 18 5.996 -8.719 -0.203 1.00 0.00 N ATOM 266 CA VAL A 18 5.945 -10.029 -0.912 1.00 0.00 C ATOM 267 C VAL A 18 5.962 -11.186 0.095 1.00 0.00 C ATOM 268 O VAL A 18 5.253 -12.159 -0.052 1.00 0.00 O ATOM 269 CB VAL A 18 7.163 -10.136 -1.835 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.236 -11.537 -2.445 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.046 -9.101 -2.955 1.00 0.00 C ATOM 0 H VAL A 18 6.841 -8.171 -0.368 1.00 0.00 H new ATOM 0 HA VAL A 18 5.024 -10.089 -1.492 1.00 0.00 H new ATOM 0 HB VAL A 18 8.067 -9.950 -1.255 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.105 -11.604 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.324 -12.276 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.331 -11.730 -3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.912 -9.177 -3.612 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.138 -9.287 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.004 -8.101 -2.523 1.00 0.00 H new ATOM 281 N ASN A 19 6.782 -11.098 1.103 1.00 0.00 N ATOM 282 CA ASN A 19 6.867 -12.204 2.102 1.00 0.00 C ATOM 283 C ASN A 19 5.517 -12.446 2.787 1.00 0.00 C ATOM 284 O ASN A 19 5.136 -13.573 3.035 1.00 0.00 O ATOM 285 CB ASN A 19 7.911 -11.839 3.159 1.00 0.00 C ATOM 286 CG ASN A 19 8.012 -12.963 4.191 1.00 0.00 C ATOM 287 OD1 ASN A 19 8.272 -14.099 3.849 1.00 0.00 O ATOM 288 ND2 ASN A 19 7.815 -12.688 5.452 1.00 0.00 N ATOM 0 H ASN A 19 7.400 -10.306 1.281 1.00 0.00 H new ATOM 0 HA ASN A 19 7.151 -13.118 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.880 -11.677 2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.636 -10.905 3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 19 7.879 -13.428 6.151 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.597 -11.733 5.738 1.00 0.00 H new ATOM 295 N ILE A 20 4.798 -11.410 3.121 1.00 0.00 N ATOM 296 CA ILE A 20 3.493 -11.611 3.818 1.00 0.00 C ATOM 297 C ILE A 20 2.402 -12.078 2.844 1.00 0.00 C ATOM 298 O ILE A 20 1.378 -12.579 3.264 1.00 0.00 O ATOM 299 CB ILE A 20 3.064 -10.307 4.502 1.00 0.00 C ATOM 300 CG1 ILE A 20 2.921 -9.190 3.464 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.116 -9.907 5.539 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.298 -7.958 4.123 1.00 0.00 C ATOM 0 H ILE A 20 5.054 -10.439 2.944 1.00 0.00 H new ATOM 0 HA ILE A 20 3.626 -12.390 4.568 1.00 0.00 H new ATOM 0 HB ILE A 20 2.103 -10.462 4.993 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.897 -8.939 3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.298 -9.527 2.635 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.813 -8.980 6.026 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.209 -10.696 6.286 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.076 -9.760 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.196 -7.163 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.315 -8.215 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.938 -7.618 4.937 1.00 0.00 H new ATOM 314 N THR A 21 2.591 -11.915 1.554 1.00 0.00 N ATOM 315 CA THR A 21 1.529 -12.350 0.584 1.00 0.00 C ATOM 316 C THR A 21 1.871 -13.718 -0.019 1.00 0.00 C ATOM 317 O THR A 21 0.998 -14.435 -0.465 1.00 0.00 O ATOM 318 CB THR A 21 1.408 -11.324 -0.551 1.00 0.00 C ATOM 319 OG1 THR A 21 2.675 -11.155 -1.171 1.00 0.00 O ATOM 320 CG2 THR A 21 0.921 -9.978 -0.001 1.00 0.00 C ATOM 0 H THR A 21 3.424 -11.504 1.133 1.00 0.00 H new ATOM 0 HA THR A 21 0.585 -12.423 1.124 1.00 0.00 H new ATOM 0 HB THR A 21 0.686 -11.687 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.215 -10.529 -0.646 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.840 -9.260 -0.817 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.055 -10.108 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.632 -9.609 0.738 1.00 0.00 H new ATOM 328 N GLN A 22 3.120 -14.094 -0.043 1.00 0.00 N ATOM 329 CA GLN A 22 3.471 -15.423 -0.628 1.00 0.00 C ATOM 330 C GLN A 22 3.042 -16.553 0.311 1.00 0.00 C ATOM 331 O GLN A 22 2.581 -17.589 -0.126 1.00 0.00 O ATOM 332 CB GLN A 22 4.977 -15.515 -0.889 1.00 0.00 C ATOM 333 CG GLN A 22 5.339 -14.636 -2.089 1.00 0.00 C ATOM 334 CD GLN A 22 6.839 -14.742 -2.376 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.637 -15.227 -1.465 1.00 0.00 O flip ATOM 336 NE2 GLN A 22 7.288 -14.382 -3.446 1.00 0.00 N flip ATOM 0 H GLN A 22 3.905 -13.548 0.312 1.00 0.00 H new ATOM 0 HA GLN A 22 2.940 -15.526 -1.574 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.531 -15.192 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.261 -16.549 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.769 -14.947 -2.964 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.071 -13.599 -1.886 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.665 -14.003 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.288 -14.459 -3.631 1.00 0.00 H new ATOM 345 N ASN A 23 3.200 -16.377 1.595 1.00 0.00 N ATOM 346 CA ASN A 23 2.813 -17.456 2.558 1.00 0.00 C ATOM 347 C ASN A 23 1.398 -17.218 3.093 1.00 0.00 C ATOM 348 O ASN A 23 0.996 -17.815 4.072 1.00 0.00 O ATOM 349 CB ASN A 23 3.795 -17.473 3.732 1.00 0.00 C ATOM 350 CG ASN A 23 5.149 -18.008 3.263 1.00 0.00 C ATOM 351 OD1 ASN A 23 5.237 -18.668 2.246 1.00 0.00 O ATOM 352 ND2 ASN A 23 6.215 -17.755 3.972 1.00 0.00 N ATOM 0 H ASN A 23 3.581 -15.533 2.022 1.00 0.00 H new ATOM 0 HA ASN A 23 2.839 -18.412 2.035 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.911 -16.468 4.137 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.405 -18.097 4.536 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.123 -18.111 3.673 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.140 -17.201 4.825 1.00 0.00 H new ATOM 359 N GLN A 24 0.634 -16.355 2.476 1.00 0.00 N ATOM 360 CA GLN A 24 -0.747 -16.107 2.985 1.00 0.00 C ATOM 361 C GLN A 24 -1.695 -17.187 2.441 1.00 0.00 C ATOM 362 O GLN A 24 -1.923 -17.292 1.253 1.00 0.00 O ATOM 363 CB GLN A 24 -1.219 -14.699 2.553 1.00 0.00 C ATOM 364 CG GLN A 24 -1.715 -14.699 1.097 1.00 0.00 C ATOM 365 CD GLN A 24 -1.814 -13.261 0.586 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.183 -12.906 -0.390 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.582 -12.411 1.211 1.00 0.00 N ATOM 0 H GLN A 24 0.902 -15.817 1.652 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.750 -16.153 4.074 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.019 -14.363 3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.399 -13.989 2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -1.032 -15.272 0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.689 -15.185 1.034 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.112 -12.709 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.653 -11.449 0.880 1.00 0.00 H new ATOM 376 N LYS A 25 -2.255 -17.992 3.303 1.00 0.00 N ATOM 377 CA LYS A 25 -3.197 -19.041 2.822 1.00 0.00 C ATOM 378 C LYS A 25 -4.556 -18.380 2.607 1.00 0.00 C ATOM 379 O LYS A 25 -4.989 -18.165 1.492 1.00 0.00 O ATOM 380 CB LYS A 25 -3.313 -20.152 3.869 1.00 0.00 C ATOM 381 CG LYS A 25 -4.253 -21.247 3.357 1.00 0.00 C ATOM 382 CD LYS A 25 -4.364 -22.354 4.407 1.00 0.00 C ATOM 383 CE LYS A 25 -5.280 -23.466 3.892 1.00 0.00 C ATOM 384 NZ LYS A 25 -6.701 -23.045 4.041 1.00 0.00 N ATOM 0 H LYS A 25 -2.102 -17.969 4.311 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.839 -19.483 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.329 -20.572 4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.691 -19.744 4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.238 -20.828 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.876 -21.656 2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.376 -22.758 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.759 -21.947 5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.060 -23.678 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.102 -24.386 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.326 -23.813 3.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.897 -22.831 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.874 -22.197 3.464 1.00 0.00 H new ATOM 398 N ALA A 26 -5.215 -18.020 3.675 1.00 0.00 N ATOM 399 CA ALA A 26 -6.528 -17.330 3.552 1.00 0.00 C ATOM 400 C ALA A 26 -6.245 -15.832 3.347 1.00 0.00 C ATOM 401 O ALA A 26 -5.186 -15.356 3.703 1.00 0.00 O ATOM 402 CB ALA A 26 -7.343 -17.555 4.843 1.00 0.00 C ATOM 0 H ALA A 26 -4.897 -18.176 4.632 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.103 -17.720 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.306 -17.051 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.504 -18.623 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.796 -17.150 5.694 1.00 0.00 H new ATOM 408 N PRO A 27 -7.168 -15.084 2.794 1.00 0.00 N ATOM 409 CA PRO A 27 -6.934 -13.631 2.588 1.00 0.00 C ATOM 410 C PRO A 27 -6.335 -12.974 3.843 1.00 0.00 C ATOM 411 O PRO A 27 -6.376 -13.532 4.922 1.00 0.00 O ATOM 412 CB PRO A 27 -8.354 -13.112 2.284 1.00 0.00 C ATOM 413 CG PRO A 27 -9.264 -14.330 2.000 1.00 0.00 C ATOM 414 CD PRO A 27 -8.482 -15.615 2.340 1.00 0.00 C ATOM 0 HA PRO A 27 -6.216 -13.408 1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.738 -12.539 3.128 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.338 -12.441 1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.174 -14.271 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.570 -14.338 0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -8.976 -16.196 3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.378 -16.268 1.473 1.00 0.00 H new ATOM 422 N LEU A 28 -5.772 -11.804 3.712 1.00 0.00 N ATOM 423 CA LEU A 28 -5.170 -11.135 4.902 1.00 0.00 C ATOM 424 C LEU A 28 -6.275 -10.717 5.871 1.00 0.00 C ATOM 425 O LEU A 28 -6.019 -10.389 7.012 1.00 0.00 O ATOM 426 CB LEU A 28 -4.384 -9.895 4.460 1.00 0.00 C ATOM 427 CG LEU A 28 -3.249 -10.300 3.509 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.523 -9.039 3.027 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.252 -11.224 4.237 1.00 0.00 C ATOM 0 H LEU A 28 -5.702 -11.284 2.837 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.495 -11.832 5.399 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.051 -9.190 3.963 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.974 -9.385 5.332 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.667 -10.835 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.715 -9.320 2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.226 -8.392 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.110 -8.507 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.451 -11.505 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.830 -10.700 5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.769 -12.121 4.578 1.00 0.00 H new ATOM 441 N CYS A 29 -7.505 -10.726 5.430 1.00 0.00 N ATOM 442 CA CYS A 29 -8.628 -10.329 6.332 1.00 0.00 C ATOM 443 C CYS A 29 -9.876 -11.144 5.985 1.00 0.00 C ATOM 444 O CYS A 29 -9.835 -12.040 5.165 1.00 0.00 O ATOM 445 CB CYS A 29 -8.924 -8.840 6.143 1.00 0.00 C ATOM 446 SG CYS A 29 -7.444 -7.876 6.540 1.00 0.00 S ATOM 0 H CYS A 29 -7.782 -10.991 4.485 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.348 -10.519 7.368 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.232 -8.647 5.115 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.751 -8.538 6.786 1.00 0.00 H new ATOM 451 N ASN A 30 -10.984 -10.837 6.604 1.00 0.00 N ATOM 452 CA ASN A 30 -12.240 -11.587 6.314 1.00 0.00 C ATOM 453 C ASN A 30 -12.685 -11.286 4.881 1.00 0.00 C ATOM 454 O ASN A 30 -13.847 -11.045 4.621 1.00 0.00 O ATOM 455 CB ASN A 30 -13.334 -11.140 7.287 1.00 0.00 C ATOM 456 CG ASN A 30 -12.997 -11.624 8.698 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.235 -12.555 8.868 1.00 0.00 O ATOM 458 ND2 ASN A 30 -13.535 -11.025 9.726 1.00 0.00 N ATOM 0 H ASN A 30 -11.074 -10.097 7.300 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.064 -12.657 6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.422 -10.054 7.276 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.298 -11.541 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.316 -11.339 10.671 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.175 -10.243 9.584 1.00 0.00 H new ATOM 465 N GLY A 31 -11.770 -11.284 3.950 1.00 0.00 N ATOM 466 CA GLY A 31 -12.145 -10.983 2.540 1.00 0.00 C ATOM 467 C GLY A 31 -12.433 -9.486 2.408 1.00 0.00 C ATOM 468 O GLY A 31 -13.188 -9.060 1.557 1.00 0.00 O ATOM 0 H GLY A 31 -10.781 -11.478 4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.338 -11.272 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.023 -11.562 2.252 1.00 0.00 H new ATOM 472 N SER A 32 -11.838 -8.687 3.253 1.00 0.00 N ATOM 473 CA SER A 32 -12.073 -7.215 3.192 1.00 0.00 C ATOM 474 C SER A 32 -11.643 -6.675 1.826 1.00 0.00 C ATOM 475 O SER A 32 -10.635 -7.076 1.277 1.00 0.00 O ATOM 476 CB SER A 32 -11.262 -6.523 4.288 1.00 0.00 C ATOM 477 OG SER A 32 -11.709 -6.976 5.560 1.00 0.00 O ATOM 0 H SER A 32 -11.197 -8.992 3.986 1.00 0.00 H new ATOM 0 HA SER A 32 -13.135 -7.016 3.340 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.201 -6.741 4.164 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.376 -5.442 4.213 1.00 0.00 H new ATOM 0 HG SER A 32 -11.190 -6.536 6.265 1.00 0.00 H new ATOM 483 N MET A 33 -12.406 -5.760 1.278 1.00 0.00 N ATOM 484 CA MET A 33 -12.065 -5.164 -0.054 1.00 0.00 C ATOM 485 C MET A 33 -11.691 -3.692 0.149 1.00 0.00 C ATOM 486 O MET A 33 -12.050 -3.090 1.141 1.00 0.00 O ATOM 487 CB MET A 33 -13.282 -5.259 -0.978 1.00 0.00 C ATOM 488 CG MET A 33 -13.673 -6.728 -1.159 1.00 0.00 C ATOM 489 SD MET A 33 -15.110 -6.843 -2.253 1.00 0.00 S ATOM 490 CE MET A 33 -14.199 -6.961 -3.812 1.00 0.00 C ATOM 0 H MET A 33 -13.260 -5.396 1.701 1.00 0.00 H new ATOM 0 HA MET A 33 -11.230 -5.702 -0.502 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.117 -4.699 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.054 -4.811 -1.945 1.00 0.00 H new ATOM 0 HG2 MET A 33 -12.838 -7.288 -1.579 1.00 0.00 H new ATOM 0 HG3 MET A 33 -13.903 -7.176 -0.192 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.903 -7.042 -4.640 1.00 0.00 H new ATOM 0 HE2 MET A 33 -13.586 -6.070 -3.943 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.558 -7.843 -3.793 1.00 0.00 H new ATOM 500 N VAL A 34 -10.969 -3.109 -0.778 1.00 0.00 N ATOM 501 CA VAL A 34 -10.563 -1.670 -0.643 1.00 0.00 C ATOM 502 C VAL A 34 -10.885 -0.918 -1.938 1.00 0.00 C ATOM 503 O VAL A 34 -11.094 -1.513 -2.977 1.00 0.00 O ATOM 504 CB VAL A 34 -9.063 -1.589 -0.357 1.00 0.00 C ATOM 505 CG1 VAL A 34 -8.796 -2.059 1.075 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.306 -2.490 -1.335 1.00 0.00 C ATOM 0 H VAL A 34 -10.641 -3.569 -1.627 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.113 -1.214 0.180 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.725 -0.560 -0.476 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.728 -2.003 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.336 -1.420 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.134 -3.089 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.237 -2.432 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.643 -3.520 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.498 -2.161 -2.356 1.00 0.00 H new ATOM 516 N TRP A 35 -10.940 0.387 -1.880 1.00 0.00 N ATOM 517 CA TRP A 35 -11.266 1.180 -3.102 1.00 0.00 C ATOM 518 C TRP A 35 -10.072 1.188 -4.060 1.00 0.00 C ATOM 519 O TRP A 35 -8.944 1.397 -3.661 1.00 0.00 O ATOM 520 CB TRP A 35 -11.587 2.622 -2.707 1.00 0.00 C ATOM 521 CG TRP A 35 -12.876 2.672 -1.951 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.987 2.599 -0.605 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.232 2.816 -2.467 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.322 2.689 -0.260 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.130 2.825 -1.373 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.765 2.939 -3.763 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.507 2.952 -1.558 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.152 3.066 -3.952 1.00 0.00 C ATOM 529 CH2 TRP A 35 -17.020 3.073 -2.851 1.00 0.00 C ATOM 0 H TRP A 35 -10.773 0.938 -1.038 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.126 0.725 -3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.781 3.028 -2.095 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.655 3.245 -3.599 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.166 2.488 0.088 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.669 2.659 0.699 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.105 2.936 -4.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.172 2.957 -0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.551 3.159 -4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.085 3.172 -3.003 1.00 0.00 H new ATOM 540 N SER A 36 -10.319 0.980 -5.325 1.00 0.00 N ATOM 541 CA SER A 36 -9.207 0.996 -6.316 1.00 0.00 C ATOM 542 C SER A 36 -8.698 2.433 -6.466 1.00 0.00 C ATOM 543 O SER A 36 -9.450 3.377 -6.331 1.00 0.00 O ATOM 544 CB SER A 36 -9.721 0.487 -7.664 1.00 0.00 C ATOM 545 OG SER A 36 -8.659 0.502 -8.609 1.00 0.00 O ATOM 0 H SER A 36 -11.244 0.800 -5.715 1.00 0.00 H new ATOM 0 HA SER A 36 -8.395 0.353 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.114 -0.524 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.542 1.113 -8.013 1.00 0.00 H new ATOM 0 HG SER A 36 -8.985 0.175 -9.473 1.00 0.00 H new ATOM 551 N ILE A 37 -7.427 2.610 -6.742 1.00 0.00 N ATOM 552 CA ILE A 37 -6.865 3.994 -6.899 1.00 0.00 C ATOM 553 C ILE A 37 -5.979 4.060 -8.146 1.00 0.00 C ATOM 554 O ILE A 37 -5.546 3.051 -8.667 1.00 0.00 O ATOM 555 CB ILE A 37 -6.027 4.351 -5.665 1.00 0.00 C ATOM 556 CG1 ILE A 37 -4.965 3.264 -5.412 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.943 4.464 -4.443 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.854 3.827 -4.520 1.00 0.00 C ATOM 0 H ILE A 37 -6.752 1.855 -6.866 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.688 4.701 -7.003 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.526 5.303 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.424 2.398 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.547 2.923 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.349 4.718 -3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.686 5.243 -4.616 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.447 3.512 -4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.104 3.056 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.388 4.680 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.278 4.146 -3.568 1.00 0.00 H new ATOM 570 N ASN A 38 -5.688 5.246 -8.617 1.00 0.00 N ATOM 571 CA ASN A 38 -4.809 5.377 -9.814 1.00 0.00 C ATOM 572 C ASN A 38 -3.357 5.380 -9.337 1.00 0.00 C ATOM 573 O ASN A 38 -2.982 6.142 -8.468 1.00 0.00 O ATOM 574 CB ASN A 38 -5.112 6.690 -10.540 1.00 0.00 C ATOM 575 CG ASN A 38 -6.489 6.606 -11.199 1.00 0.00 C ATOM 576 OD1 ASN A 38 -6.940 5.536 -11.558 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.182 7.698 -11.375 1.00 0.00 N ATOM 0 H ASN A 38 -6.021 6.126 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.983 4.549 -10.501 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.085 7.521 -9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.349 6.885 -11.293 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.102 7.653 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.804 8.596 -11.074 1.00 0.00 H new ATOM 584 N LEU A 39 -2.542 4.522 -9.881 1.00 0.00 N ATOM 585 CA LEU A 39 -1.119 4.457 -9.443 1.00 0.00 C ATOM 586 C LEU A 39 -0.305 5.533 -10.171 1.00 0.00 C ATOM 587 O LEU A 39 -0.115 5.477 -11.370 1.00 0.00 O ATOM 588 CB LEU A 39 -0.555 3.068 -9.775 1.00 0.00 C ATOM 589 CG LEU A 39 -1.131 2.001 -8.820 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.611 2.213 -7.387 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.664 2.059 -8.829 1.00 0.00 C ATOM 0 H LEU A 39 -2.800 3.860 -10.613 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.057 4.631 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.797 2.809 -10.806 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.532 3.084 -9.697 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.805 1.020 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.030 1.450 -6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.477 2.140 -7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.911 3.199 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.061 1.302 -8.152 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.993 3.046 -8.503 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.029 1.870 -9.838 1.00 0.00 H new ATOM 603 N THR A 40 0.180 6.513 -9.450 1.00 0.00 N ATOM 604 CA THR A 40 0.986 7.599 -10.089 1.00 0.00 C ATOM 605 C THR A 40 2.017 8.126 -9.084 1.00 0.00 C ATOM 606 O THR A 40 2.942 7.434 -8.714 1.00 0.00 O ATOM 607 CB THR A 40 0.062 8.740 -10.523 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.857 9.024 -9.479 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.705 8.333 -11.783 1.00 0.00 C ATOM 0 H THR A 40 0.052 6.608 -8.443 1.00 0.00 H new ATOM 0 HA THR A 40 1.500 7.202 -10.964 1.00 0.00 H new ATOM 0 HB THR A 40 0.658 9.627 -10.737 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.449 9.755 -9.754 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.361 9.148 -12.088 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.001 8.116 -12.585 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.302 7.445 -11.575 1.00 0.00 H new ATOM 617 N ALA A 41 1.866 9.351 -8.639 1.00 0.00 N ATOM 618 CA ALA A 41 2.838 9.928 -7.654 1.00 0.00 C ATOM 619 C ALA A 41 2.229 9.885 -6.249 1.00 0.00 C ATOM 620 O ALA A 41 2.920 9.686 -5.270 1.00 0.00 O ATOM 621 CB ALA A 41 3.141 11.380 -8.028 1.00 0.00 C ATOM 0 H ALA A 41 1.110 9.978 -8.916 1.00 0.00 H new ATOM 0 HA ALA A 41 3.759 9.345 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.848 11.800 -7.312 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.573 11.416 -9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.218 11.960 -8.010 1.00 0.00 H new ATOM 627 N GLY A 42 0.939 10.064 -6.143 1.00 0.00 N ATOM 628 CA GLY A 42 0.285 10.028 -4.801 1.00 0.00 C ATOM 629 C GLY A 42 -0.030 8.577 -4.434 1.00 0.00 C ATOM 630 O GLY A 42 -0.993 8.291 -3.752 1.00 0.00 O ATOM 0 H GLY A 42 0.309 10.234 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.941 10.471 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.630 10.620 -4.813 1.00 0.00 H new ATOM 634 N MET A 43 0.773 7.659 -4.895 1.00 0.00 N ATOM 635 CA MET A 43 0.527 6.220 -4.592 1.00 0.00 C ATOM 636 C MET A 43 0.556 5.993 -3.076 1.00 0.00 C ATOM 637 O MET A 43 -0.327 5.379 -2.512 1.00 0.00 O ATOM 638 CB MET A 43 1.644 5.389 -5.224 1.00 0.00 C ATOM 639 CG MET A 43 1.632 5.539 -6.746 1.00 0.00 C ATOM 640 SD MET A 43 3.268 5.121 -7.405 1.00 0.00 S ATOM 641 CE MET A 43 3.517 3.578 -6.494 1.00 0.00 C ATOM 0 H MET A 43 1.594 7.844 -5.472 1.00 0.00 H new ATOM 0 HA MET A 43 -0.446 5.929 -4.988 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.609 5.707 -4.830 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.520 4.340 -4.956 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.875 4.886 -7.181 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.368 6.560 -7.020 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.326 3.011 -6.954 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.774 3.804 -5.459 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.601 2.988 -6.520 1.00 0.00 H new ATOM 651 N TYR A 44 1.580 6.471 -2.418 1.00 0.00 N ATOM 652 CA TYR A 44 1.689 6.274 -0.943 1.00 0.00 C ATOM 653 C TYR A 44 0.534 6.986 -0.233 1.00 0.00 C ATOM 654 O TYR A 44 -0.127 6.426 0.618 1.00 0.00 O ATOM 655 CB TYR A 44 3.022 6.849 -0.462 1.00 0.00 C ATOM 656 CG TYR A 44 4.156 6.137 -1.161 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.709 4.976 -0.607 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.652 6.640 -2.370 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.758 4.319 -1.262 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.701 5.984 -3.024 1.00 0.00 C ATOM 661 CZ TYR A 44 6.254 4.824 -2.471 1.00 0.00 C ATOM 662 OH TYR A 44 7.288 4.176 -3.117 1.00 0.00 O ATOM 0 H TYR A 44 2.348 6.991 -2.841 1.00 0.00 H new ATOM 0 HA TYR A 44 1.641 5.210 -0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.066 7.918 -0.670 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.114 6.730 0.618 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.327 4.587 0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.225 7.535 -2.798 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.185 3.423 -0.835 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.084 6.373 -3.956 1.00 0.00 H new ATOM 0 HH TYR A 44 7.511 4.656 -3.942 1.00 0.00 H new ATOM 672 N CYS A 45 0.288 8.219 -0.583 1.00 0.00 N ATOM 673 CA CYS A 45 -0.822 8.980 0.059 1.00 0.00 C ATOM 674 C CYS A 45 -2.155 8.313 -0.287 1.00 0.00 C ATOM 675 O CYS A 45 -2.937 7.963 0.577 1.00 0.00 O ATOM 676 CB CYS A 45 -0.810 10.410 -0.479 1.00 0.00 C ATOM 677 SG CYS A 45 0.898 10.999 -0.532 1.00 0.00 S ATOM 0 H CYS A 45 0.811 8.735 -1.290 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.694 8.991 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.251 10.442 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.413 11.058 0.158 1.00 0.00 H new ATOM 682 N ALA A 46 -2.413 8.142 -1.552 1.00 0.00 N ATOM 683 CA ALA A 46 -3.687 7.508 -1.986 1.00 0.00 C ATOM 684 C ALA A 46 -3.790 6.084 -1.430 1.00 0.00 C ATOM 685 O ALA A 46 -4.816 5.675 -0.923 1.00 0.00 O ATOM 686 CB ALA A 46 -3.718 7.456 -3.514 1.00 0.00 C ATOM 0 H ALA A 46 -1.790 8.417 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.526 8.094 -1.610 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.648 6.993 -3.843 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.655 8.468 -3.914 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.873 6.870 -3.875 1.00 0.00 H new ATOM 692 N ALA A 47 -2.743 5.318 -1.536 1.00 0.00 N ATOM 693 CA ALA A 47 -2.793 3.920 -1.027 1.00 0.00 C ATOM 694 C ALA A 47 -3.076 3.912 0.477 1.00 0.00 C ATOM 695 O ALA A 47 -3.800 3.074 0.975 1.00 0.00 O ATOM 696 CB ALA A 47 -1.457 3.223 -1.297 1.00 0.00 C ATOM 0 H ALA A 47 -1.855 5.598 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.593 3.389 -1.542 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.498 2.200 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.264 3.209 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.656 3.763 -0.791 1.00 0.00 H new ATOM 702 N LEU A 48 -2.493 4.818 1.211 1.00 0.00 N ATOM 703 CA LEU A 48 -2.716 4.831 2.683 1.00 0.00 C ATOM 704 C LEU A 48 -4.202 5.018 3.007 1.00 0.00 C ATOM 705 O LEU A 48 -4.760 4.280 3.791 1.00 0.00 O ATOM 706 CB LEU A 48 -1.901 5.975 3.304 1.00 0.00 C ATOM 707 CG LEU A 48 -2.148 6.056 4.820 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.773 4.727 5.492 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.285 7.181 5.401 1.00 0.00 C ATOM 0 H LEU A 48 -1.874 5.547 0.857 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.394 3.876 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.840 5.819 3.111 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.175 6.920 2.835 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.203 6.256 5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.953 4.798 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.381 3.924 5.075 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.719 4.514 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.451 7.249 6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.233 6.969 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.556 8.127 4.932 1.00 0.00 H new ATOM 721 N GLU A 49 -4.853 5.993 2.429 1.00 0.00 N ATOM 722 CA GLU A 49 -6.299 6.191 2.753 1.00 0.00 C ATOM 723 C GLU A 49 -7.112 4.945 2.390 1.00 0.00 C ATOM 724 O GLU A 49 -8.042 4.586 3.085 1.00 0.00 O ATOM 725 CB GLU A 49 -6.864 7.421 2.029 1.00 0.00 C ATOM 726 CG GLU A 49 -6.470 7.409 0.556 1.00 0.00 C ATOM 727 CD GLU A 49 -7.064 8.645 -0.125 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.931 9.263 0.470 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.642 8.954 -1.225 1.00 0.00 O ATOM 0 H GLU A 49 -4.456 6.651 1.758 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.378 6.359 3.827 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.950 7.435 2.120 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.493 8.330 2.502 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.385 7.408 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.835 6.501 0.075 1.00 0.00 H new ATOM 736 N SER A 50 -6.787 4.279 1.317 1.00 0.00 N ATOM 737 CA SER A 50 -7.571 3.064 0.947 1.00 0.00 C ATOM 738 C SER A 50 -7.460 2.020 2.064 1.00 0.00 C ATOM 739 O SER A 50 -8.419 1.354 2.402 1.00 0.00 O ATOM 740 CB SER A 50 -7.026 2.474 -0.353 1.00 0.00 C ATOM 741 OG SER A 50 -7.187 3.419 -1.403 1.00 0.00 O ATOM 0 H SER A 50 -6.022 4.518 0.686 1.00 0.00 H new ATOM 0 HA SER A 50 -8.616 3.341 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.973 2.219 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.552 1.551 -0.595 1.00 0.00 H new ATOM 0 HG SER A 50 -6.530 4.139 -1.299 1.00 0.00 H new ATOM 747 N LEU A 51 -6.296 1.872 2.635 1.00 0.00 N ATOM 748 CA LEU A 51 -6.113 0.871 3.727 1.00 0.00 C ATOM 749 C LEU A 51 -6.880 1.312 4.979 1.00 0.00 C ATOM 750 O LEU A 51 -7.470 0.507 5.672 1.00 0.00 O ATOM 751 CB LEU A 51 -4.623 0.754 4.063 1.00 0.00 C ATOM 752 CG LEU A 51 -3.873 0.079 2.904 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.365 0.196 3.150 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.269 -1.409 2.793 1.00 0.00 C ATOM 0 H LEU A 51 -5.460 2.403 2.392 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.496 -0.094 3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.205 1.743 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.493 0.175 4.977 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.138 0.575 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.825 -0.281 2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.086 1.248 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.110 -0.296 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.727 -1.869 1.967 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.019 -1.922 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.341 -1.488 2.613 1.00 0.00 H new ATOM 766 N ILE A 52 -6.866 2.581 5.280 1.00 0.00 N ATOM 767 CA ILE A 52 -7.581 3.072 6.495 1.00 0.00 C ATOM 768 C ILE A 52 -9.029 2.571 6.487 1.00 0.00 C ATOM 769 O ILE A 52 -9.721 2.643 7.483 1.00 0.00 O ATOM 770 CB ILE A 52 -7.549 4.609 6.517 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.110 5.108 6.756 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.468 5.150 7.613 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.534 4.565 8.077 1.00 0.00 C ATOM 0 H ILE A 52 -6.390 3.301 4.737 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.087 2.690 7.388 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.900 4.972 5.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.474 4.798 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.101 6.198 6.775 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.432 6.239 7.613 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.490 4.821 7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.138 4.776 8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.519 4.938 8.212 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.156 4.897 8.909 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.520 3.476 8.047 1.00 0.00 H new ATOM 785 N ASN A 53 -9.491 2.049 5.384 1.00 0.00 N ATOM 786 CA ASN A 53 -10.891 1.532 5.337 1.00 0.00 C ATOM 787 C ASN A 53 -10.912 0.092 5.860 1.00 0.00 C ATOM 788 O ASN A 53 -11.942 -0.425 6.244 1.00 0.00 O ATOM 789 CB ASN A 53 -11.396 1.555 3.893 1.00 0.00 C ATOM 790 CG ASN A 53 -11.618 3.002 3.450 1.00 0.00 C ATOM 791 OD1 ASN A 53 -10.967 3.478 2.541 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.521 3.725 4.054 1.00 0.00 N ATOM 0 H ASN A 53 -8.963 1.958 4.516 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.534 2.158 5.955 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.673 1.070 3.237 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.326 0.993 3.814 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.680 4.690 3.763 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.068 3.326 4.817 1.00 0.00 H new ATOM 799 N VAL A 54 -9.776 -0.557 5.884 1.00 0.00 N ATOM 800 CA VAL A 54 -9.719 -1.963 6.389 1.00 0.00 C ATOM 801 C VAL A 54 -9.445 -1.946 7.894 1.00 0.00 C ATOM 802 O VAL A 54 -8.446 -1.419 8.343 1.00 0.00 O ATOM 803 CB VAL A 54 -8.594 -2.716 5.675 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.732 -4.216 5.949 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.684 -2.457 4.169 1.00 0.00 C ATOM 0 H VAL A 54 -8.883 -0.173 5.575 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.669 -2.461 6.194 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.629 -2.368 6.044 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.931 -4.754 5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.667 -4.397 7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.696 -4.566 5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.883 -2.993 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.648 -2.805 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.585 -1.389 3.977 1.00 0.00 H new ATOM 815 N SER A 55 -10.329 -2.515 8.678 1.00 0.00 N ATOM 816 CA SER A 55 -10.140 -2.538 10.165 1.00 0.00 C ATOM 817 C SER A 55 -10.139 -3.985 10.660 1.00 0.00 C ATOM 818 O SER A 55 -10.844 -4.830 10.143 1.00 0.00 O ATOM 819 CB SER A 55 -11.287 -1.776 10.830 1.00 0.00 C ATOM 820 OG SER A 55 -11.166 -0.391 10.531 1.00 0.00 O ATOM 0 H SER A 55 -11.181 -2.969 8.349 1.00 0.00 H new ATOM 0 HA SER A 55 -9.190 -2.068 10.418 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.245 -2.154 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.264 -1.930 11.909 1.00 0.00 H new ATOM 0 HG SER A 55 -11.901 0.100 10.954 1.00 0.00 H new ATOM 826 N GLY A 56 -9.353 -4.277 11.663 1.00 0.00 N ATOM 827 CA GLY A 56 -9.301 -5.668 12.203 1.00 0.00 C ATOM 828 C GLY A 56 -8.255 -6.480 11.436 1.00 0.00 C ATOM 829 O GLY A 56 -8.464 -7.634 11.117 1.00 0.00 O ATOM 0 H GLY A 56 -8.742 -3.609 12.133 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.053 -5.647 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.279 -6.140 12.113 1.00 0.00 H new ATOM 833 N CYS A 57 -7.127 -5.888 11.139 1.00 0.00 N ATOM 834 CA CYS A 57 -6.063 -6.627 10.393 1.00 0.00 C ATOM 835 C CYS A 57 -4.683 -6.116 10.823 1.00 0.00 C ATOM 836 O CYS A 57 -4.176 -5.152 10.289 1.00 0.00 O ATOM 837 CB CYS A 57 -6.248 -6.400 8.892 1.00 0.00 C ATOM 838 SG CYS A 57 -7.831 -7.103 8.365 1.00 0.00 S ATOM 0 H CYS A 57 -6.896 -4.924 11.381 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.137 -7.692 10.613 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.219 -5.334 8.669 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.430 -6.863 8.340 1.00 0.00 H new ATOM 843 N SER A 58 -4.073 -6.757 11.782 1.00 0.00 N ATOM 844 CA SER A 58 -2.725 -6.312 12.246 1.00 0.00 C ATOM 845 C SER A 58 -1.698 -6.509 11.125 1.00 0.00 C ATOM 846 O SER A 58 -0.802 -5.710 10.938 1.00 0.00 O ATOM 847 CB SER A 58 -2.311 -7.137 13.465 1.00 0.00 C ATOM 848 OG SER A 58 -1.050 -6.679 13.935 1.00 0.00 O ATOM 0 H SER A 58 -4.450 -7.572 12.266 1.00 0.00 H new ATOM 0 HA SER A 58 -2.767 -5.256 12.513 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.060 -7.046 14.252 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.252 -8.193 13.201 1.00 0.00 H new ATOM 0 HG SER A 58 -0.782 -7.205 14.717 1.00 0.00 H new ATOM 854 N ALA A 59 -1.816 -7.582 10.396 1.00 0.00 N ATOM 855 CA ALA A 59 -0.848 -7.873 9.296 1.00 0.00 C ATOM 856 C ALA A 59 -0.591 -6.631 8.429 1.00 0.00 C ATOM 857 O ALA A 59 0.494 -6.455 7.911 1.00 0.00 O ATOM 858 CB ALA A 59 -1.415 -8.987 8.416 1.00 0.00 C ATOM 0 H ALA A 59 -2.550 -8.280 10.515 1.00 0.00 H new ATOM 0 HA ALA A 59 0.098 -8.178 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.715 -9.206 7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.568 -9.883 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.367 -8.667 7.992 1.00 0.00 H new ATOM 864 N ILE A 60 -1.573 -5.782 8.242 1.00 0.00 N ATOM 865 CA ILE A 60 -1.368 -4.571 7.374 1.00 0.00 C ATOM 866 C ILE A 60 -1.101 -3.321 8.218 1.00 0.00 C ATOM 867 O ILE A 60 -0.747 -2.283 7.695 1.00 0.00 O ATOM 868 CB ILE A 60 -2.622 -4.349 6.517 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.845 -4.129 7.418 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.860 -5.574 5.634 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.053 -3.745 6.560 1.00 0.00 C ATOM 0 H ILE A 60 -2.504 -5.871 8.649 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.499 -4.744 6.739 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.473 -3.467 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.061 -5.036 7.983 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.638 -3.343 8.144 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.750 -5.416 5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.999 -5.727 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.001 -6.454 6.262 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.920 -3.589 7.202 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.835 -2.826 6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.265 -4.546 5.851 1.00 0.00 H new ATOM 883 N GLU A 61 -1.262 -3.394 9.508 1.00 0.00 N ATOM 884 CA GLU A 61 -1.004 -2.184 10.338 1.00 0.00 C ATOM 885 C GLU A 61 0.453 -1.740 10.156 1.00 0.00 C ATOM 886 O GLU A 61 0.737 -0.565 10.029 1.00 0.00 O ATOM 887 CB GLU A 61 -1.296 -2.497 11.809 1.00 0.00 C ATOM 888 CG GLU A 61 -2.814 -2.545 12.024 1.00 0.00 C ATOM 889 CD GLU A 61 -3.120 -2.869 13.488 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.196 -3.219 14.202 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.275 -2.763 13.869 1.00 0.00 O ATOM 0 H GLU A 61 -1.557 -4.226 10.019 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.658 -1.372 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.847 -3.451 12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.850 -1.737 12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.259 -1.588 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.259 -3.299 11.374 1.00 0.00 H new ATOM 898 N LYS A 62 1.380 -2.662 10.115 1.00 0.00 N ATOM 899 CA LYS A 62 2.805 -2.266 9.908 1.00 0.00 C ATOM 900 C LYS A 62 2.945 -1.623 8.529 1.00 0.00 C ATOM 901 O LYS A 62 3.656 -0.654 8.349 1.00 0.00 O ATOM 902 CB LYS A 62 3.707 -3.499 9.965 1.00 0.00 C ATOM 903 CG LYS A 62 3.769 -4.038 11.394 1.00 0.00 C ATOM 904 CD LYS A 62 4.740 -5.226 11.455 1.00 0.00 C ATOM 905 CE LYS A 62 4.163 -6.424 10.686 1.00 0.00 C ATOM 906 NZ LYS A 62 4.837 -7.675 11.135 1.00 0.00 N ATOM 0 H LYS A 62 1.214 -3.663 10.215 1.00 0.00 H new ATOM 0 HA LYS A 62 3.098 -1.566 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.327 -4.269 9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.709 -3.243 9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.096 -3.253 12.076 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.776 -4.350 11.719 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.702 -4.941 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.921 -5.504 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.089 -6.496 10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.307 -6.285 9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.446 -8.486 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.858 -7.605 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.678 -7.809 12.154 1.00 0.00 H new ATOM 920 N THR A 63 2.274 -2.170 7.550 1.00 0.00 N ATOM 921 CA THR A 63 2.368 -1.609 6.174 1.00 0.00 C ATOM 922 C THR A 63 1.889 -0.157 6.172 1.00 0.00 C ATOM 923 O THR A 63 2.463 0.691 5.522 1.00 0.00 O ATOM 924 CB THR A 63 1.497 -2.435 5.222 1.00 0.00 C ATOM 925 OG1 THR A 63 1.951 -3.781 5.216 1.00 0.00 O ATOM 926 CG2 THR A 63 1.595 -1.857 3.808 1.00 0.00 C ATOM 0 H THR A 63 1.665 -2.982 7.646 1.00 0.00 H new ATOM 0 HA THR A 63 3.406 -1.646 5.843 1.00 0.00 H new ATOM 0 HB THR A 63 0.460 -2.401 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.394 -4.311 4.609 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.975 -2.445 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.248 -0.824 3.812 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.631 -1.890 3.472 1.00 0.00 H new ATOM 934 N GLN A 64 0.842 0.139 6.890 1.00 0.00 N ATOM 935 CA GLN A 64 0.334 1.539 6.918 1.00 0.00 C ATOM 936 C GLN A 64 1.426 2.463 7.462 1.00 0.00 C ATOM 937 O GLN A 64 1.634 3.554 6.968 1.00 0.00 O ATOM 938 CB GLN A 64 -0.897 1.609 7.823 1.00 0.00 C ATOM 939 CG GLN A 64 -2.065 0.881 7.155 1.00 0.00 C ATOM 940 CD GLN A 64 -3.293 0.953 8.062 1.00 0.00 C ATOM 941 OE1 GLN A 64 -4.408 0.773 7.613 1.00 0.00 O ATOM 942 NE2 GLN A 64 -3.133 1.209 9.331 1.00 0.00 N ATOM 0 H GLN A 64 0.317 -0.526 7.458 1.00 0.00 H new ATOM 0 HA GLN A 64 0.063 1.854 5.910 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.677 1.155 8.789 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.163 2.649 8.012 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.286 1.334 6.189 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.799 -0.159 6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.197 1.360 9.707 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.944 1.258 9.948 1.00 0.00 H new ATOM 951 N ARG A 65 2.125 2.031 8.476 1.00 0.00 N ATOM 952 CA ARG A 65 3.208 2.877 9.053 1.00 0.00 C ATOM 953 C ARG A 65 4.280 3.120 7.990 1.00 0.00 C ATOM 954 O ARG A 65 4.700 4.237 7.760 1.00 0.00 O ATOM 955 CB ARG A 65 3.834 2.146 10.249 1.00 0.00 C ATOM 956 CG ARG A 65 4.865 3.047 10.964 1.00 0.00 C ATOM 957 CD ARG A 65 4.162 3.975 11.972 1.00 0.00 C ATOM 958 NE ARG A 65 4.903 5.275 12.058 1.00 0.00 N ATOM 959 CZ ARG A 65 6.198 5.311 12.235 1.00 0.00 C ATOM 960 NH1 ARG A 65 6.859 4.223 12.522 1.00 0.00 N ATOM 961 NH2 ARG A 65 6.826 6.453 12.178 1.00 0.00 N ATOM 0 H ARG A 65 1.993 1.127 8.930 1.00 0.00 H new ATOM 0 HA ARG A 65 2.796 3.832 9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.053 1.852 10.950 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.318 1.231 9.909 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.600 2.430 11.480 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.408 3.642 10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.132 4.151 11.662 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.123 3.501 12.953 1.00 0.00 H new ATOM 0 HE ARG A 65 4.386 6.150 11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.365 3.335 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.869 4.261 12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.307 7.312 11.996 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.836 6.487 12.315 1.00 0.00 H new ATOM 975 N MET A 66 4.739 2.080 7.348 1.00 0.00 N ATOM 976 CA MET A 66 5.796 2.255 6.315 1.00 0.00 C ATOM 977 C MET A 66 5.274 3.128 5.167 1.00 0.00 C ATOM 978 O MET A 66 5.979 3.979 4.662 1.00 0.00 O ATOM 979 CB MET A 66 6.231 0.884 5.789 1.00 0.00 C ATOM 980 CG MET A 66 7.008 0.151 6.889 1.00 0.00 C ATOM 981 SD MET A 66 7.653 -1.419 6.253 1.00 0.00 S ATOM 982 CE MET A 66 6.076 -2.297 6.114 1.00 0.00 C ATOM 0 H MET A 66 4.428 1.120 7.495 1.00 0.00 H new ATOM 0 HA MET A 66 6.657 2.753 6.762 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.359 0.301 5.491 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.854 1.001 4.902 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.829 0.774 7.242 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.357 -0.033 7.744 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.259 -3.330 5.818 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.564 -2.280 7.076 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.453 -1.810 5.364 1.00 0.00 H new ATOM 992 N LEU A 67 4.048 2.942 4.754 1.00 0.00 N ATOM 993 CA LEU A 67 3.510 3.789 3.648 1.00 0.00 C ATOM 994 C LEU A 67 3.510 5.247 4.100 1.00 0.00 C ATOM 995 O LEU A 67 3.827 6.145 3.346 1.00 0.00 O ATOM 996 CB LEU A 67 2.078 3.371 3.307 1.00 0.00 C ATOM 997 CG LEU A 67 2.064 1.981 2.656 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.614 1.501 2.545 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.701 2.029 1.254 1.00 0.00 C ATOM 0 H LEU A 67 3.401 2.248 5.129 1.00 0.00 H new ATOM 0 HA LEU A 67 4.135 3.664 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.471 3.361 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.631 4.100 2.631 1.00 0.00 H new ATOM 0 HG LEU A 67 2.643 1.293 3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.592 0.514 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.172 1.447 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.045 2.201 1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.681 1.033 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.140 2.719 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.733 2.369 1.335 1.00 0.00 H new ATOM 1011 N SER A 68 3.157 5.488 5.332 1.00 0.00 N ATOM 1012 CA SER A 68 3.133 6.886 5.841 1.00 0.00 C ATOM 1013 C SER A 68 4.537 7.476 5.730 1.00 0.00 C ATOM 1014 O SER A 68 4.711 8.626 5.378 1.00 0.00 O ATOM 1015 CB SER A 68 2.697 6.887 7.306 1.00 0.00 C ATOM 1016 OG SER A 68 1.348 6.446 7.393 1.00 0.00 O ATOM 0 H SER A 68 2.884 4.775 6.009 1.00 0.00 H new ATOM 0 HA SER A 68 2.432 7.481 5.255 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.344 6.233 7.891 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.792 7.888 7.726 1.00 0.00 H new ATOM 0 HG SER A 68 1.312 5.475 7.263 1.00 0.00 H new ATOM 1022 N GLY A 69 5.539 6.700 6.027 1.00 0.00 N ATOM 1023 CA GLY A 69 6.932 7.220 5.934 1.00 0.00 C ATOM 1024 C GLY A 69 7.141 7.892 4.573 1.00 0.00 C ATOM 1025 O GLY A 69 7.974 8.764 4.426 1.00 0.00 O ATOM 0 H GLY A 69 5.456 5.730 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.118 7.934 6.736 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.644 6.405 6.061 1.00 0.00 H new ATOM 1029 N PHE A 70 6.394 7.494 3.572 1.00 0.00 N ATOM 1030 CA PHE A 70 6.558 8.115 2.220 1.00 0.00 C ATOM 1031 C PHE A 70 5.554 9.257 2.042 1.00 0.00 C ATOM 1032 O PHE A 70 5.716 10.100 1.182 1.00 0.00 O ATOM 1033 CB PHE A 70 6.307 7.062 1.139 1.00 0.00 C ATOM 1034 CG PHE A 70 7.452 6.077 1.107 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.607 6.372 0.372 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.355 4.868 1.804 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.665 5.457 0.334 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.414 3.953 1.767 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.569 4.247 1.032 1.00 0.00 C ATOM 0 H PHE A 70 5.680 6.768 3.632 1.00 0.00 H new ATOM 0 HA PHE A 70 7.572 8.505 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.371 6.539 1.338 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.203 7.544 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.681 7.306 -0.166 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.464 4.641 2.370 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.555 5.684 -0.234 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.340 3.020 2.306 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.386 3.541 1.003 1.00 0.00 H new ATOM 1049 N CYS A 71 4.519 9.299 2.848 1.00 0.00 N ATOM 1050 CA CYS A 71 3.508 10.398 2.723 1.00 0.00 C ATOM 1051 C CYS A 71 3.040 10.848 4.123 1.00 0.00 C ATOM 1052 O CYS A 71 2.169 10.225 4.693 1.00 0.00 O ATOM 1053 CB CYS A 71 2.285 9.906 1.942 1.00 0.00 C ATOM 1054 SG CYS A 71 1.337 11.353 1.405 1.00 0.00 S ATOM 0 H CYS A 71 4.331 8.621 3.586 1.00 0.00 H new ATOM 0 HA CYS A 71 3.974 11.231 2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.596 9.315 1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.670 9.259 2.567 1.00 0.00 H new ATOM 1059 N PRO A 72 3.592 11.917 4.677 1.00 0.00 N ATOM 1060 CA PRO A 72 3.159 12.417 6.026 1.00 0.00 C ATOM 1061 C PRO A 72 1.658 12.757 6.080 1.00 0.00 C ATOM 1062 O PRO A 72 1.260 13.744 6.668 1.00 0.00 O ATOM 1063 CB PRO A 72 4.012 13.688 6.190 1.00 0.00 C ATOM 1064 CG PRO A 72 5.138 13.639 5.149 1.00 0.00 C ATOM 1065 CD PRO A 72 4.688 12.698 4.024 1.00 0.00 C ATOM 0 HA PRO A 72 3.297 11.675 6.812 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.400 14.579 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.426 13.742 7.197 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.341 14.636 4.757 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.063 13.280 5.601 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.332 13.248 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.499 12.054 3.684 1.00 0.00 H new ATOM 1073 N HIS A 73 0.833 11.981 5.438 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.627 12.286 5.409 1.00 0.00 C ATOM 1075 C HIS A 73 -1.357 11.620 6.582 1.00 0.00 C ATOM 1076 O HIS A 73 -1.575 10.425 6.591 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.201 11.746 4.075 1.00 0.00 C ATOM 1078 CG HIS A 73 -2.041 12.791 3.402 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.420 12.824 3.517 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.699 13.848 2.610 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.859 13.877 2.811 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.849 14.541 2.233 1.00 0.00 N ATOM 0 H HIS A 73 1.107 11.142 4.928 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.771 13.363 5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.386 11.447 3.416 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.801 10.856 4.264 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.692 14.108 2.319 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.899 14.155 2.720 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.908 15.372 1.645 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.784 12.393 7.543 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.554 11.803 8.669 1.00 0.00 C ATOM 1092 C LYS A 74 -3.997 11.663 8.186 1.00 0.00 C ATOM 1093 O LYS A 74 -4.765 12.605 8.209 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.488 12.728 9.888 1.00 0.00 C ATOM 1095 CG LYS A 74 -1.047 12.786 10.401 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.968 13.708 11.620 1.00 0.00 C ATOM 1097 CE LYS A 74 0.475 13.766 12.132 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.770 12.536 12.922 1.00 0.00 N ATOM 0 H LYS A 74 -1.633 13.400 7.596 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.147 10.836 8.964 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.831 13.727 9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.151 12.363 10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.705 11.786 10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.386 13.150 9.615 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.310 14.708 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.629 13.344 12.407 1.00 0.00 H new ATOM 0 HE2 LYS A 74 1.167 13.848 11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.618 14.652 12.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.738 12.589 13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.095 12.459 13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.683 11.700 12.309 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.359 10.504 7.707 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.739 10.304 7.170 1.00 0.00 C ATOM 1114 C VAL A 75 -6.653 9.713 8.243 1.00 0.00 C ATOM 1115 O VAL A 75 -6.301 8.773 8.929 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.672 9.330 5.989 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.023 9.303 5.253 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.558 9.765 5.026 1.00 0.00 C ATOM 0 H VAL A 75 -3.757 9.682 7.664 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.139 11.268 6.855 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.454 8.329 6.361 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.967 8.608 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.805 8.980 5.940 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.255 10.301 4.882 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.511 9.071 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.768 10.769 4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.603 9.764 5.551 1.00 0.00 H new ATOM 1128 N SER A 76 -7.840 10.251 8.375 1.00 0.00 N ATOM 1129 CA SER A 76 -8.812 9.724 9.380 1.00 0.00 C ATOM 1130 C SER A 76 -9.870 8.898 8.652 1.00 0.00 C ATOM 1131 O SER A 76 -10.108 9.076 7.473 1.00 0.00 O ATOM 1132 CB SER A 76 -9.494 10.888 10.096 1.00 0.00 C ATOM 1133 OG SER A 76 -10.183 11.685 9.142 1.00 0.00 O ATOM 0 H SER A 76 -8.179 11.040 7.824 1.00 0.00 H new ATOM 0 HA SER A 76 -8.287 9.108 10.110 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.191 10.512 10.845 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.754 11.490 10.624 1.00 0.00 H new ATOM 0 HG SER A 76 -10.624 12.432 9.597 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.513 8.002 9.341 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.558 7.172 8.686 1.00 0.00 C ATOM 1141 C ALA A 77 -12.665 8.079 8.142 1.00 0.00 C ATOM 1142 O ALA A 77 -13.563 7.630 7.457 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.152 6.207 9.713 1.00 0.00 C ATOM 0 H ALA A 77 -10.360 7.808 10.331 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.115 6.608 7.865 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.919 5.596 9.237 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.365 5.562 10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.596 6.774 10.531 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.616 9.352 8.452 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.673 10.297 7.964 1.00 0.00 C ATOM 1151 C GLY A 78 -13.147 11.131 6.789 1.00 0.00 C ATOM 1152 O GLY A 78 -13.859 11.391 5.838 1.00 0.00 O ATOM 0 H GLY A 78 -11.888 9.780 9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.555 9.737 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.983 10.956 8.775 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.915 11.565 6.848 1.00 0.00 N ATOM 1157 CA GLN A 79 -11.360 12.397 5.735 1.00 0.00 C ATOM 1158 C GLN A 79 -10.768 11.495 4.648 1.00 0.00 C ATOM 1159 O GLN A 79 -9.992 10.601 4.922 1.00 0.00 O ATOM 1160 CB GLN A 79 -10.265 13.315 6.288 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.878 14.298 7.289 1.00 0.00 C ATOM 1162 CD GLN A 79 -11.806 15.269 6.555 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -11.382 15.976 5.663 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -13.064 15.332 6.897 1.00 0.00 N ATOM 0 H GLN A 79 -11.269 11.381 7.616 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.161 12.996 5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.490 12.722 6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.787 13.860 5.474 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.435 13.755 8.053 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.090 14.850 7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.419 14.738 7.646 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -13.692 15.975 6.415 1.00 0.00 H new ATOM 1173 N PHE A 80 -11.128 11.735 3.409 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.596 10.915 2.273 1.00 0.00 C ATOM 1175 C PHE A 80 -10.063 11.854 1.189 1.00 0.00 C ATOM 1176 O PHE A 80 -10.495 12.984 1.079 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.711 10.054 1.689 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.152 9.024 2.701 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.479 7.800 2.791 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.238 9.290 3.545 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.890 6.842 3.725 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.650 8.330 4.479 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.975 7.106 4.568 1.00 0.00 C ATOM 0 H PHE A 80 -11.776 12.473 3.133 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.796 10.269 2.634 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.556 10.682 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.363 9.559 0.782 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.642 7.595 2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.757 10.234 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.369 5.898 3.795 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.487 8.534 5.130 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.292 6.366 5.288 1.00 0.00 H new ATOM 1193 N SER A 81 -9.110 11.404 0.400 1.00 0.00 N ATOM 1194 CA SER A 81 -8.523 12.283 -0.668 1.00 0.00 C ATOM 1195 C SER A 81 -8.686 11.668 -2.070 1.00 0.00 C ATOM 1196 O SER A 81 -8.984 12.368 -3.018 1.00 0.00 O ATOM 1197 CB SER A 81 -7.033 12.466 -0.383 1.00 0.00 C ATOM 1198 OG SER A 81 -6.868 13.252 0.793 1.00 0.00 O ATOM 0 H SER A 81 -8.714 10.465 0.450 1.00 0.00 H new ATOM 0 HA SER A 81 -9.051 13.237 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.554 11.495 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.547 12.952 -1.229 1.00 0.00 H new ATOM 0 HG SER A 81 -5.913 13.368 0.977 1.00 0.00 H new ATOM 1204 N SER A 82 -8.454 10.382 -2.229 1.00 0.00 N ATOM 1205 CA SER A 82 -8.556 9.756 -3.597 1.00 0.00 C ATOM 1206 C SER A 82 -9.876 8.996 -3.792 1.00 0.00 C ATOM 1207 O SER A 82 -10.113 8.433 -4.842 1.00 0.00 O ATOM 1208 CB SER A 82 -7.392 8.782 -3.791 1.00 0.00 C ATOM 1209 OG SER A 82 -7.344 8.371 -5.152 1.00 0.00 O ATOM 0 H SER A 82 -8.200 9.741 -1.478 1.00 0.00 H new ATOM 0 HA SER A 82 -8.521 10.561 -4.331 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.453 9.259 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.516 7.915 -3.142 1.00 0.00 H new ATOM 0 HG SER A 82 -8.256 8.256 -5.491 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.738 8.957 -2.812 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.027 8.210 -2.991 1.00 0.00 C ATOM 1217 C LEU A 83 -13.080 9.133 -3.622 1.00 0.00 C ATOM 1218 O LEU A 83 -14.267 8.904 -3.499 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.533 7.711 -1.629 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.780 6.440 -1.218 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.311 6.776 -0.948 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.415 5.863 0.054 1.00 0.00 C ATOM 0 H LEU A 83 -10.613 9.403 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.855 7.357 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.393 8.485 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.603 7.508 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.840 5.707 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.778 5.871 -0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.860 7.187 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.247 7.510 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.882 4.959 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.355 6.598 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.460 5.621 -0.139 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.660 10.170 -4.297 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.648 11.094 -4.930 1.00 0.00 C ATOM 1236 C HIS A 84 -14.278 10.404 -6.138 1.00 0.00 C ATOM 1237 O HIS A 84 -15.456 10.536 -6.402 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.943 12.361 -5.417 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.134 12.966 -4.306 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.295 12.599 -2.979 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.143 13.913 -4.316 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.416 13.314 -2.252 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.690 14.133 -3.019 1.00 0.00 N ATOM 0 H HIS A 84 -11.680 10.417 -4.437 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.409 11.354 -4.195 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.295 12.123 -6.261 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.679 13.081 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -10.770 14.413 -5.198 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.310 13.235 -1.180 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -9.961 14.780 -2.718 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.494 9.673 -6.878 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.029 8.976 -8.078 1.00 0.00 C ATOM 1253 C VAL A 85 -14.865 7.777 -7.630 1.00 0.00 C ATOM 1254 O VAL A 85 -14.587 7.157 -6.623 1.00 0.00 O ATOM 1255 CB VAL A 85 -12.864 8.493 -8.943 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.394 8.022 -10.298 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -11.873 9.642 -9.152 1.00 0.00 C ATOM 0 H VAL A 85 -12.500 9.528 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 85 -14.651 9.659 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.360 7.665 -8.444 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.563 7.678 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.098 7.204 -10.149 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -13.899 8.848 -10.798 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.042 9.298 -9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.376 10.470 -9.650 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.494 9.976 -8.186 1.00 0.00 H new ATOM 1267 N ARG A 86 -15.896 7.450 -8.363 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.757 6.297 -7.970 1.00 0.00 C ATOM 1269 C ARG A 86 -16.223 5.014 -8.610 1.00 0.00 C ATOM 1270 O ARG A 86 -16.838 4.438 -9.486 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.185 6.551 -8.455 1.00 0.00 C ATOM 1272 CG ARG A 86 -18.812 7.684 -7.639 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.238 7.935 -8.131 1.00 0.00 C ATOM 1274 NE ARG A 86 -21.076 6.733 -7.862 1.00 0.00 N ATOM 1275 CZ ARG A 86 -22.376 6.820 -7.908 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -22.944 7.960 -8.193 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -23.110 5.767 -7.671 1.00 0.00 N ATOM 0 H ARG A 86 -16.179 7.931 -9.217 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.749 6.188 -6.886 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.179 6.812 -9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.781 5.644 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.821 7.423 -6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.216 8.591 -7.738 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.660 8.805 -7.628 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.232 8.156 -9.198 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.632 5.841 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.371 8.783 -8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -23.961 8.028 -8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -22.667 4.876 -7.450 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -24.127 5.836 -7.707 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.085 4.555 -8.161 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.502 3.300 -8.717 1.00 0.00 C ATOM 1293 C ASP A 87 -15.073 2.104 -7.959 1.00 0.00 C ATOM 1294 O ASP A 87 -15.777 2.256 -6.981 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.980 3.324 -8.559 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.380 4.336 -9.536 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.022 4.619 -10.534 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.289 4.811 -9.270 1.00 0.00 O ATOM 0 H ASP A 87 -14.531 4.999 -7.428 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.752 3.220 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.714 3.589 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.569 2.332 -8.748 1.00 0.00 H new ATOM 1303 N THR A 88 -14.776 0.914 -8.399 1.00 0.00 N ATOM 1304 CA THR A 88 -15.299 -0.297 -7.702 1.00 0.00 C ATOM 1305 C THR A 88 -14.280 -0.755 -6.656 1.00 0.00 C ATOM 1306 O THR A 88 -13.115 -0.419 -6.723 1.00 0.00 O ATOM 1307 CB THR A 88 -15.508 -1.412 -8.729 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.265 -1.718 -9.346 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.505 -0.953 -9.794 1.00 0.00 C ATOM 0 H THR A 88 -14.192 0.726 -9.214 1.00 0.00 H new ATOM 0 HA THR A 88 -16.245 -0.065 -7.213 1.00 0.00 H new ATOM 0 HB THR A 88 -15.899 -2.298 -8.229 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.394 -2.433 -10.004 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.651 -1.750 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.458 -0.714 -9.322 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.118 -0.067 -10.297 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.708 -1.521 -5.689 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.762 -1.999 -4.639 1.00 0.00 C ATOM 1319 C LYS A 89 -13.064 -3.270 -5.128 1.00 0.00 C ATOM 1320 O LYS A 89 -13.585 -3.996 -5.951 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.532 -2.324 -3.357 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.132 -1.049 -2.766 1.00 0.00 C ATOM 1323 CD LYS A 89 -15.894 -1.406 -1.488 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.503 -0.145 -0.879 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.466 -0.526 0.192 1.00 0.00 N ATOM 0 H LYS A 89 -15.672 -1.837 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.027 -1.219 -4.439 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.324 -3.042 -3.571 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.866 -2.791 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.344 -0.328 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.802 -0.579 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.679 -2.128 -1.712 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.221 -1.878 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.718 0.489 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.010 0.435 -1.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.881 0.332 0.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.221 -1.115 -0.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.969 -1.062 0.931 1.00 0.00 H new ATOM 1339 N ILE A 90 -11.884 -3.541 -4.623 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.130 -4.765 -5.044 1.00 0.00 C ATOM 1341 C ILE A 90 -10.634 -5.512 -3.802 1.00 0.00 C ATOM 1342 O ILE A 90 -10.545 -4.957 -2.725 1.00 0.00 O ATOM 1343 CB ILE A 90 -9.941 -4.357 -5.923 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.047 -3.360 -5.173 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.455 -3.706 -7.207 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -7.777 -3.093 -5.990 1.00 0.00 C ATOM 0 H ILE A 90 -11.407 -2.962 -3.932 1.00 0.00 H new ATOM 0 HA ILE A 90 -11.786 -5.421 -5.616 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.360 -5.246 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.586 -2.428 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.784 -3.758 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.610 -3.416 -7.831 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.081 -4.415 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.042 -2.822 -6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.143 -2.385 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.235 -4.027 -6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.049 -2.677 -6.960 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.317 -6.770 -3.945 1.00 0.00 N ATOM 1359 CA GLU A 91 -9.833 -7.559 -2.776 1.00 0.00 C ATOM 1360 C GLU A 91 -8.497 -7.000 -2.281 1.00 0.00 C ATOM 1361 O GLU A 91 -7.655 -6.594 -3.057 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.646 -9.020 -3.190 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.012 -9.672 -3.409 1.00 0.00 C ATOM 1364 CD GLU A 91 -10.820 -11.131 -3.823 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -9.691 -11.504 -4.100 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -11.803 -11.852 -3.857 1.00 0.00 O ATOM 0 H GLU A 91 -10.372 -7.287 -4.823 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.568 -7.493 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.055 -9.076 -4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.094 -9.559 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.604 -9.617 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.564 -9.134 -4.179 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.297 -6.982 -0.991 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.015 -6.457 -0.440 1.00 0.00 C ATOM 1375 C VAL A 92 -5.846 -7.266 -1.012 1.00 0.00 C ATOM 1376 O VAL A 92 -4.835 -6.719 -1.407 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.039 -6.578 1.090 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.644 -6.286 1.658 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.049 -5.574 1.671 1.00 0.00 C ATOM 0 H VAL A 92 -8.967 -7.308 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.892 -5.410 -0.717 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.334 -7.591 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.668 -6.373 2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.929 -7.001 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.343 -5.275 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.065 -5.661 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.757 -4.562 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.042 -5.787 1.275 1.00 0.00 H new ATOM 1389 N ALA A 93 -5.976 -8.564 -1.065 1.00 0.00 N ATOM 1390 CA ALA A 93 -4.873 -9.400 -1.618 1.00 0.00 C ATOM 1391 C ALA A 93 -4.507 -8.887 -3.012 1.00 0.00 C ATOM 1392 O ALA A 93 -3.349 -8.822 -3.383 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.332 -10.858 -1.712 1.00 0.00 C ATOM 0 H ALA A 93 -6.797 -9.081 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.003 -9.339 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.525 -11.468 -2.117 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.598 -11.220 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.200 -10.925 -2.367 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.490 -8.519 -3.786 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.212 -8.007 -5.156 1.00 0.00 C ATOM 1401 C GLN A 94 -4.677 -6.578 -5.055 1.00 0.00 C ATOM 1402 O GLN A 94 -3.852 -6.156 -5.841 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.507 -8.014 -5.972 1.00 0.00 C ATOM 1404 CG GLN A 94 -6.930 -9.458 -6.261 1.00 0.00 C ATOM 1405 CD GLN A 94 -5.927 -10.114 -7.212 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -5.537 -9.527 -8.202 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -5.495 -11.318 -6.955 1.00 0.00 N ATOM 0 H GLN A 94 -6.476 -8.551 -3.528 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.473 -8.641 -5.646 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.295 -7.497 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.361 -7.474 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.985 -10.023 -5.331 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.926 -9.473 -6.703 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.822 -11.811 -6.124 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -4.830 -11.767 -7.585 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.132 -5.833 -4.086 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.640 -4.437 -3.927 1.00 0.00 C ATOM 1418 C PHE A 95 -3.127 -4.459 -3.705 1.00 0.00 C ATOM 1419 O PHE A 95 -2.389 -3.707 -4.308 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.317 -3.797 -2.713 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.755 -2.414 -2.492 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.548 -2.256 -1.802 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.436 -1.291 -2.978 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.022 -0.977 -1.596 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -4.909 -0.012 -2.773 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.702 0.145 -2.081 1.00 0.00 C ATOM 0 H PHE A 95 -5.823 -6.131 -3.398 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.873 -3.862 -4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.394 -3.742 -2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.156 -4.412 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.022 -3.122 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.368 -1.413 -3.511 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.091 -0.855 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.433 0.855 -3.148 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.296 1.133 -1.922 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.664 -5.315 -2.835 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.201 -5.386 -2.562 1.00 0.00 C ATOM 1438 C VAL A 96 -0.456 -5.810 -3.829 1.00 0.00 C ATOM 1439 O VAL A 96 0.554 -5.235 -4.184 1.00 0.00 O ATOM 1440 CB VAL A 96 -0.942 -6.407 -1.454 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.565 -6.572 -1.245 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.587 -5.916 -0.158 1.00 0.00 C ATOM 0 H VAL A 96 -3.237 -5.969 -2.301 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.845 -4.405 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.371 -7.368 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.745 -7.301 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.025 -6.919 -2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.000 -5.614 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.405 -6.640 0.636 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.155 -4.955 0.122 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.661 -5.802 -0.306 1.00 0.00 H new ATOM 1452 N LYS A 97 -0.936 -6.814 -4.516 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.232 -7.258 -5.754 1.00 0.00 C ATOM 1454 C LYS A 97 -0.202 -6.113 -6.769 1.00 0.00 C ATOM 1455 O LYS A 97 0.816 -5.826 -7.361 1.00 0.00 O ATOM 1456 CB LYS A 97 -0.955 -8.462 -6.363 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.761 -9.686 -5.466 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.484 -10.888 -6.077 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.288 -12.109 -5.179 1.00 0.00 C ATOM 1460 NZ LYS A 97 -1.744 -11.784 -3.798 1.00 0.00 N ATOM 0 H LYS A 97 -1.776 -7.340 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 97 0.788 -7.544 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.017 -8.244 -6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.567 -8.665 -7.361 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.301 -9.905 -5.356 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.150 -9.484 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.546 -10.670 -6.186 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.096 -11.091 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.851 -12.956 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.238 -12.402 -5.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.967 -12.664 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.990 -11.275 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.594 -11.186 -3.845 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.299 -5.440 -6.971 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.296 -4.315 -7.947 1.00 0.00 C ATOM 1476 C ASP A 98 -0.278 -3.274 -7.488 1.00 0.00 C ATOM 1477 O ASP A 98 0.451 -2.704 -8.275 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.688 -3.681 -8.004 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.662 -4.646 -8.681 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.199 -5.526 -9.388 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.855 -4.489 -8.480 1.00 0.00 O ATOM 0 H ASP A 98 -2.190 -5.617 -6.508 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.032 -4.683 -8.939 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.033 -3.446 -6.997 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.649 -2.741 -8.555 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.223 -3.034 -6.211 1.00 0.00 N ATOM 1487 CA LEU A 99 0.745 -2.045 -5.670 1.00 0.00 C ATOM 1488 C LEU A 99 2.174 -2.555 -5.909 1.00 0.00 C ATOM 1489 O LEU A 99 3.084 -1.794 -6.157 1.00 0.00 O ATOM 1490 CB LEU A 99 0.477 -1.863 -4.168 1.00 0.00 C ATOM 1491 CG LEU A 99 1.413 -0.800 -3.578 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.130 0.572 -4.219 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.184 -0.718 -2.062 1.00 0.00 C ATOM 0 H LEU A 99 -0.813 -3.485 -5.512 1.00 0.00 H new ATOM 0 HA LEU A 99 0.631 -1.084 -6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.561 -1.569 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.622 -2.811 -3.650 1.00 0.00 H new ATOM 0 HG LEU A 99 2.447 -1.076 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.800 1.318 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.292 0.511 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.097 0.859 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.845 0.035 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.147 -0.445 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.396 -1.686 -1.609 1.00 0.00 H new ATOM 1505 N LEU A 100 2.373 -3.844 -5.824 1.00 0.00 N ATOM 1506 CA LEU A 100 3.738 -4.423 -6.026 1.00 0.00 C ATOM 1507 C LEU A 100 4.290 -4.074 -7.418 1.00 0.00 C ATOM 1508 O LEU A 100 5.451 -3.745 -7.561 1.00 0.00 O ATOM 1509 CB LEU A 100 3.651 -5.949 -5.870 1.00 0.00 C ATOM 1510 CG LEU A 100 5.012 -6.608 -6.129 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.061 -6.062 -5.154 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.870 -8.122 -5.930 1.00 0.00 C ATOM 0 H LEU A 100 1.643 -4.528 -5.622 1.00 0.00 H new ATOM 0 HA LEU A 100 4.415 -4.002 -5.283 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.309 -6.196 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.912 -6.347 -6.565 1.00 0.00 H new ATOM 0 HG LEU A 100 5.334 -6.389 -7.147 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.022 -6.538 -5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.156 -4.984 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.752 -6.274 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.831 -8.604 -6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.548 -8.326 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.130 -8.513 -6.629 1.00 0.00 H new ATOM 1524 N LEU A 101 3.490 -4.161 -8.445 1.00 0.00 N ATOM 1525 CA LEU A 101 4.014 -3.852 -9.813 1.00 0.00 C ATOM 1526 C LEU A 101 4.522 -2.404 -9.881 1.00 0.00 C ATOM 1527 O LEU A 101 5.592 -2.144 -10.392 1.00 0.00 O ATOM 1528 CB LEU A 101 2.902 -4.063 -10.863 1.00 0.00 C ATOM 1529 CG LEU A 101 2.704 -5.561 -11.206 1.00 0.00 C ATOM 1530 CD1 LEU A 101 3.756 -6.025 -12.221 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.797 -6.432 -9.946 1.00 0.00 C ATOM 0 H LEU A 101 2.507 -4.429 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 101 4.844 -4.525 -10.026 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.966 -3.650 -10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.151 -3.513 -11.771 1.00 0.00 H new ATOM 0 HG LEU A 101 1.710 -5.671 -11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.601 -7.079 -12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.664 -5.438 -13.135 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.752 -5.888 -11.801 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.654 -7.478 -10.216 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.778 -6.306 -9.488 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.025 -6.131 -9.238 1.00 0.00 H new ATOM 1543 N HIS A 102 3.774 -1.460 -9.388 1.00 0.00 N ATOM 1544 CA HIS A 102 4.240 -0.041 -9.451 1.00 0.00 C ATOM 1545 C HIS A 102 5.435 0.198 -8.523 1.00 0.00 C ATOM 1546 O HIS A 102 6.326 0.952 -8.849 1.00 0.00 O ATOM 1547 CB HIS A 102 3.093 0.905 -9.068 1.00 0.00 C ATOM 1548 CG HIS A 102 2.187 1.100 -10.250 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.336 2.171 -11.113 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.136 0.368 -10.733 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.397 2.059 -12.065 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.635 0.975 -11.883 1.00 0.00 N ATOM 0 H HIS A 102 2.866 -1.603 -8.946 1.00 0.00 H new ATOM 0 HA HIS A 102 4.558 0.161 -10.474 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.531 0.492 -8.230 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.493 1.865 -8.741 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.754 -0.540 -10.291 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.272 2.758 -12.878 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.144 0.661 -12.461 1.00 0.00 H new ATOM 1560 N LEU A 103 5.453 -0.395 -7.363 1.00 0.00 N ATOM 1561 CA LEU A 103 6.590 -0.132 -6.426 1.00 0.00 C ATOM 1562 C LEU A 103 7.931 -0.526 -7.057 1.00 0.00 C ATOM 1563 O LEU A 103 8.871 0.242 -7.038 1.00 0.00 O ATOM 1564 CB LEU A 103 6.409 -0.945 -5.137 1.00 0.00 C ATOM 1565 CG LEU A 103 5.238 -0.409 -4.297 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.951 -1.405 -3.163 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.586 0.964 -3.690 1.00 0.00 C ATOM 0 H LEU A 103 4.742 -1.042 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 103 6.594 0.936 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.231 -1.991 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.327 -0.909 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 103 4.363 -0.293 -4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.122 -1.038 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.689 -2.374 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.838 -1.510 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.744 1.325 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.463 0.867 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.798 1.673 -4.491 1.00 0.00 H new ATOM 1579 N LYS A 104 8.050 -1.707 -7.597 1.00 0.00 N ATOM 1580 CA LYS A 104 9.362 -2.100 -8.191 1.00 0.00 C ATOM 1581 C LYS A 104 9.661 -1.269 -9.444 1.00 0.00 C ATOM 1582 O LYS A 104 10.797 -1.159 -9.861 1.00 0.00 O ATOM 1583 CB LYS A 104 9.383 -3.595 -8.526 1.00 0.00 C ATOM 1584 CG LYS A 104 8.296 -3.939 -9.542 1.00 0.00 C ATOM 1585 CD LYS A 104 8.398 -5.432 -9.883 1.00 0.00 C ATOM 1586 CE LYS A 104 7.219 -5.863 -10.765 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.647 -6.983 -11.651 1.00 0.00 N ATOM 0 H LYS A 104 7.311 -2.408 -7.654 1.00 0.00 H new ATOM 0 HA LYS A 104 10.138 -1.903 -7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.360 -3.869 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.235 -4.178 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.311 -3.711 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.416 -3.336 -10.442 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.337 -5.630 -10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.408 -6.021 -8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.381 -6.177 -10.143 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.873 -5.022 -11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.849 -7.276 -12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.434 -6.668 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.957 -7.787 -11.069 1.00 0.00 H new ATOM 1601 N LYS A 105 8.664 -0.683 -10.051 1.00 0.00 N ATOM 1602 CA LYS A 105 8.923 0.133 -11.277 1.00 0.00 C ATOM 1603 C LYS A 105 9.725 1.382 -10.918 1.00 0.00 C ATOM 1604 O LYS A 105 10.647 1.751 -11.618 1.00 0.00 O ATOM 1605 CB LYS A 105 7.584 0.542 -11.924 1.00 0.00 C ATOM 1606 CG LYS A 105 7.226 -0.440 -13.035 1.00 0.00 C ATOM 1607 CD LYS A 105 5.796 -0.180 -13.509 1.00 0.00 C ATOM 1608 CE LYS A 105 5.531 -0.976 -14.786 1.00 0.00 C ATOM 1609 NZ LYS A 105 5.835 -2.414 -14.546 1.00 0.00 N ATOM 0 H LYS A 105 7.689 -0.732 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 105 9.498 -0.465 -11.984 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.796 0.557 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.658 1.552 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.921 -0.332 -13.868 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.319 -1.464 -12.673 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.086 -0.469 -12.734 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.651 0.884 -13.694 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.491 -0.859 -15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.147 -0.594 -15.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.340 -2.996 -15.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.860 -2.570 -14.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.518 -2.681 -13.592 1.00 0.00 H new ATOM 1623 N LEU A 106 9.399 2.041 -9.848 1.00 0.00 N ATOM 1624 CA LEU A 106 10.178 3.253 -9.502 1.00 0.00 C ATOM 1625 C LEU A 106 11.634 2.834 -9.307 1.00 0.00 C ATOM 1626 O LEU A 106 12.549 3.555 -9.653 1.00 0.00 O ATOM 1627 CB LEU A 106 9.646 3.919 -8.216 1.00 0.00 C ATOM 1628 CG LEU A 106 8.288 4.631 -8.438 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.350 5.603 -9.629 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.180 3.600 -8.669 1.00 0.00 C ATOM 0 H LEU A 106 8.642 1.799 -9.209 1.00 0.00 H new ATOM 0 HA LEU A 106 10.087 3.983 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.534 3.163 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.378 4.642 -7.855 1.00 0.00 H new ATOM 0 HG LEU A 106 8.066 5.207 -7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.381 6.085 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.110 6.361 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.603 5.053 -10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.231 4.114 -8.824 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.417 3.003 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.102 2.948 -7.799 1.00 0.00 H new ATOM 1642 N PHE A 107 11.857 1.669 -8.762 1.00 0.00 N ATOM 1643 CA PHE A 107 13.256 1.208 -8.557 1.00 0.00 C ATOM 1644 C PHE A 107 13.964 1.134 -9.912 1.00 0.00 C ATOM 1645 O PHE A 107 15.100 1.542 -10.054 1.00 0.00 O ATOM 1646 CB PHE A 107 13.266 -0.183 -7.920 1.00 0.00 C ATOM 1647 CG PHE A 107 14.693 -0.542 -7.590 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.336 0.098 -6.527 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.378 -1.496 -8.351 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.661 -0.211 -6.221 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.707 -1.811 -8.044 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.350 -1.167 -6.978 1.00 0.00 C ATOM 0 H PHE A 107 11.133 1.020 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 107 13.768 1.910 -7.899 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.654 -0.192 -7.018 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.838 -0.917 -8.603 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.805 0.834 -5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.882 -1.989 -9.174 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.156 0.287 -5.400 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.236 -2.549 -8.628 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.376 -1.408 -6.741 1.00 0.00 H new ATOM 1662 N ARG A 108 13.300 0.611 -10.909 1.00 0.00 N ATOM 1663 CA ARG A 108 13.931 0.503 -12.256 1.00 0.00 C ATOM 1664 C ARG A 108 14.271 1.901 -12.763 1.00 0.00 C ATOM 1665 O ARG A 108 15.308 2.126 -13.355 1.00 0.00 O ATOM 1666 CB ARG A 108 12.942 -0.143 -13.230 1.00 0.00 C ATOM 1667 CG ARG A 108 12.675 -1.602 -12.837 1.00 0.00 C ATOM 1668 CD ARG A 108 13.814 -2.509 -13.321 1.00 0.00 C ATOM 1669 NE ARG A 108 13.410 -3.930 -13.140 1.00 0.00 N ATOM 1670 CZ ARG A 108 14.073 -4.881 -13.740 1.00 0.00 C ATOM 1671 NH1 ARG A 108 15.101 -4.590 -14.490 1.00 0.00 N ATOM 1672 NH2 ARG A 108 13.707 -6.124 -13.587 1.00 0.00 N ATOM 0 H ARG A 108 12.347 0.254 -10.848 1.00 0.00 H new ATOM 0 HA ARG A 108 14.835 -0.102 -12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.006 0.416 -13.232 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.341 -0.100 -14.244 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.576 -1.680 -11.754 1.00 0.00 H new ATOM 0 HG3 ARG A 108 11.731 -1.933 -13.269 1.00 0.00 H new ATOM 0 HD2 ARG A 108 14.034 -2.310 -14.370 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.725 -2.302 -12.760 1.00 0.00 H new ATOM 0 HE ARG A 108 12.614 -4.161 -12.546 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.387 -3.618 -14.608 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.618 -5.334 -14.958 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.904 -6.351 -13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.223 -6.869 -14.055 1.00 0.00 H new ATOM 1686 N GLU A 109 13.401 2.846 -12.534 1.00 0.00 N ATOM 1687 CA GLU A 109 13.669 4.234 -13.003 1.00 0.00 C ATOM 1688 C GLU A 109 14.528 4.957 -11.961 1.00 0.00 C ATOM 1689 O GLU A 109 15.043 6.030 -12.202 1.00 0.00 O ATOM 1690 CB GLU A 109 12.339 4.970 -13.178 1.00 0.00 C ATOM 1691 CG GLU A 109 11.527 4.303 -14.291 1.00 0.00 C ATOM 1692 CD GLU A 109 12.191 4.571 -15.643 1.00 0.00 C ATOM 1693 OE1 GLU A 109 12.323 5.731 -15.996 1.00 0.00 O ATOM 1694 OE2 GLU A 109 12.551 3.611 -16.305 1.00 0.00 O ATOM 0 H GLU A 109 12.517 2.717 -12.043 1.00 0.00 H new ATOM 0 HA GLU A 109 14.197 4.211 -13.956 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.777 4.954 -12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.520 6.017 -13.423 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.461 3.230 -14.113 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.508 4.689 -14.292 1.00 0.00 H new ATOM 1701 N GLY A 110 14.696 4.368 -10.807 1.00 0.00 N ATOM 1702 CA GLY A 110 15.531 5.007 -9.751 1.00 0.00 C ATOM 1703 C GLY A 110 14.881 6.315 -9.292 1.00 0.00 C ATOM 1704 O GLY A 110 15.495 7.115 -8.614 1.00 0.00 O ATOM 0 H GLY A 110 14.289 3.469 -10.550 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.643 4.330 -8.904 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.532 5.204 -10.136 1.00 0.00 H new ATOM 1708 N ARG A 111 13.638 6.537 -9.643 1.00 0.00 N ATOM 1709 CA ARG A 111 12.945 7.792 -9.211 1.00 0.00 C ATOM 1710 C ARG A 111 12.108 7.482 -7.975 1.00 0.00 C ATOM 1711 O ARG A 111 11.040 6.910 -8.059 1.00 0.00 O ATOM 1712 CB ARG A 111 12.041 8.300 -10.336 1.00 0.00 C ATOM 1713 CG ARG A 111 12.911 8.824 -11.481 1.00 0.00 C ATOM 1714 CD ARG A 111 12.015 9.407 -12.577 1.00 0.00 C ATOM 1715 NE ARG A 111 12.854 9.874 -13.735 1.00 0.00 N ATOM 1716 CZ ARG A 111 13.797 10.770 -13.592 1.00 0.00 C ATOM 1717 NH1 ARG A 111 13.940 11.415 -12.467 1.00 0.00 N ATOM 1718 NH2 ARG A 111 14.570 11.061 -14.603 1.00 0.00 N ATOM 0 H ARG A 111 13.073 5.904 -10.210 1.00 0.00 H new ATOM 0 HA ARG A 111 13.680 8.563 -8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.396 7.497 -10.692 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.390 9.092 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.596 9.588 -11.112 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.522 8.017 -11.886 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.303 8.654 -12.914 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.435 10.239 -12.179 1.00 0.00 H new ATOM 0 HE ARG A 111 12.683 9.480 -14.660 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.313 11.223 -11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 111 14.679 12.111 -12.369 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.437 10.591 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.307 11.759 -14.498 1.00 0.00 H new ATOM 1732 N PHE A 112 12.603 7.834 -6.821 1.00 0.00 N ATOM 1733 CA PHE A 112 11.864 7.541 -5.561 1.00 0.00 C ATOM 1734 C PHE A 112 11.011 8.742 -5.153 1.00 0.00 C ATOM 1735 O PHE A 112 11.468 9.867 -5.134 1.00 0.00 O ATOM 1736 CB PHE A 112 12.887 7.218 -4.476 1.00 0.00 C ATOM 1737 CG PHE A 112 13.721 6.063 -4.966 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.263 4.756 -4.799 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.945 6.300 -5.605 1.00 0.00 C ATOM 1740 CE1 PHE A 112 14.025 3.684 -5.268 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.709 5.225 -6.075 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.247 3.916 -5.906 1.00 0.00 C ATOM 0 H PHE A 112 13.494 8.315 -6.696 1.00 0.00 H new ATOM 0 HA PHE A 112 11.195 6.693 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.516 8.085 -4.272 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.387 6.960 -3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.319 4.573 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.299 7.312 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.669 2.673 -5.137 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.653 5.406 -6.567 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.834 3.085 -6.268 1.00 0.00 H new ATOM 1752 N ASN A 113 9.769 8.501 -4.827 1.00 0.00 N ATOM 1753 CA ASN A 113 8.864 9.611 -4.417 1.00 0.00 C ATOM 1754 C ASN A 113 8.789 10.649 -5.538 1.00 0.00 C ATOM 1755 CB ASN A 113 9.409 10.273 -3.148 1.00 0.00 C ATOM 1756 CG ASN A 113 9.817 9.194 -2.144 1.00 0.00 C ATOM 1757 OD1 ASN A 113 9.466 8.041 -2.296 1.00 0.00 O ATOM 1758 ND2 ASN A 113 10.554 9.523 -1.119 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.120 11.794 -5.281 1.00 0.00 O ATOM 0 H ASN A 113 9.341 7.575 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 113 7.868 9.213 -4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 113 10.266 10.900 -3.392 1.00 0.00 H new ATOM 0 HB3 ASN A 113 8.652 10.924 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 113 10.836 8.812 -0.444 1.00 0.00 H new ATOM 0 HD22 ASN A 113 10.848 10.491 -0.992 1.00 0.00 H new TER 1766 ASN A 113