USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 942 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 126 SER OG : rot 180:sc= -0.142 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= 0.0326 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.62! X(o=-1.6!,f=-1.4) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0.0263 K(o=0.026,f=-2.6!) USER MOD Single : A 22 GLN : amide:sc= -0.471 K(o=-0.47,f=-4.1!) USER MOD Single : A 23 GLN : amide:sc= -2.42 K(o=-2.4,f=-1.6!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00933) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= -0.0613 (180deg=-0.377) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot -39:sc= -0.021 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0161 USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0341 (180deg=-0.319) USER MOD Single : A 70 SER OG : rot 180:sc= -0.399 USER MOD Single : A 72 CYS SG : rot 180:sc= -3.17! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -32:sc= 0.00142 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 6:sc= 0.293 USER MOD Single : A 95 THR OG1 : rot -40:sc= 0.73 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot -160:sc= -0.476 USER MOD Single : A 114 GLN : amide:sc= -0.0373 K(o=-0.037,f=-1.1) USER MOD Single : A 117 CYS SG : rot 22:sc= 1.23 USER MOD Single : A 122 SER OG : rot -85:sc= 0.683 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.764 18.587 4.478 1.00 0.00 N ATOM 2 CA GLY A 1 -15.946 19.299 5.444 1.00 0.00 C ATOM 3 C GLY A 1 -15.431 18.394 6.545 1.00 0.00 C ATOM 4 O GLY A 1 -16.207 17.881 7.351 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.092 19.249 3.746 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.201 17.832 4.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.585 18.169 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.101 19.759 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.530 20.107 5.885 1.00 0.00 H new ATOM 8 N SER A 2 -14.117 18.195 6.579 1.00 0.00 N ATOM 9 CA SER A 2 -13.498 17.341 7.586 1.00 0.00 C ATOM 10 C SER A 2 -12.881 18.178 8.703 1.00 0.00 C ATOM 11 O SER A 2 -12.726 19.392 8.571 1.00 0.00 O ATOM 12 CB SER A 2 -12.428 16.455 6.946 1.00 0.00 C ATOM 13 OG SER A 2 -12.279 15.239 7.660 1.00 0.00 O ATOM 0 H SER A 2 -13.460 18.614 5.920 1.00 0.00 H new ATOM 0 HA SER A 2 -14.274 16.708 8.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.698 16.242 5.912 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.477 16.986 6.924 1.00 0.00 H new ATOM 0 HG SER A 2 -11.591 14.690 7.230 1.00 0.00 H new ATOM 19 N SER A 3 -12.531 17.519 9.803 1.00 0.00 N ATOM 20 CA SER A 3 -11.935 18.201 10.945 1.00 0.00 C ATOM 21 C SER A 3 -10.415 18.062 10.928 1.00 0.00 C ATOM 22 O SER A 3 -9.690 19.030 11.152 1.00 0.00 O ATOM 23 CB SER A 3 -12.495 17.637 12.253 1.00 0.00 C ATOM 24 OG SER A 3 -12.340 18.562 13.315 1.00 0.00 O ATOM 0 H SER A 3 -12.650 16.514 9.927 1.00 0.00 H new ATOM 0 HA SER A 3 -12.187 19.259 10.877 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.551 17.397 12.127 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.984 16.706 12.500 1.00 0.00 H new ATOM 0 HG SER A 3 -12.707 18.179 14.139 1.00 0.00 H new ATOM 30 N GLY A 4 -9.941 16.849 10.660 1.00 0.00 N ATOM 31 CA GLY A 4 -8.511 16.604 10.618 1.00 0.00 C ATOM 32 C GLY A 4 -7.850 16.797 11.969 1.00 0.00 C ATOM 33 O GLY A 4 -8.356 17.534 12.815 1.00 0.00 O ATOM 0 H GLY A 4 -10.522 16.032 10.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.330 15.587 10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.051 17.276 9.893 1.00 0.00 H new ATOM 37 N SER A 5 -6.718 16.132 12.172 1.00 0.00 N ATOM 38 CA SER A 5 -5.989 16.230 13.432 1.00 0.00 C ATOM 39 C SER A 5 -4.495 16.407 13.183 1.00 0.00 C ATOM 40 O SER A 5 -4.028 16.317 12.047 1.00 0.00 O ATOM 41 CB SER A 5 -6.232 14.983 14.284 1.00 0.00 C ATOM 42 OG SER A 5 -7.561 14.951 14.775 1.00 0.00 O ATOM 0 H SER A 5 -6.285 15.519 11.481 1.00 0.00 H new ATOM 0 HA SER A 5 -6.356 17.105 13.969 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.039 14.090 13.690 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.532 14.968 15.119 1.00 0.00 H new ATOM 0 HG SER A 5 -7.691 14.144 15.315 1.00 0.00 H new ATOM 48 N SER A 6 -3.748 16.660 14.253 1.00 0.00 N ATOM 49 CA SER A 6 -2.307 16.853 14.152 1.00 0.00 C ATOM 50 C SER A 6 -1.559 15.816 14.984 1.00 0.00 C ATOM 51 O SER A 6 -1.208 16.064 16.136 1.00 0.00 O ATOM 52 CB SER A 6 -1.926 18.262 14.611 1.00 0.00 C ATOM 53 OG SER A 6 -0.767 18.722 13.938 1.00 0.00 O ATOM 0 H SER A 6 -4.118 16.736 15.201 1.00 0.00 H new ATOM 0 HA SER A 6 -2.022 16.729 13.107 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.754 18.945 14.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.750 18.262 15.687 1.00 0.00 H new ATOM 0 HG SER A 6 -0.546 19.625 14.248 1.00 0.00 H new ATOM 59 N GLY A 7 -1.320 14.650 14.390 1.00 0.00 N ATOM 60 CA GLY A 7 -0.616 13.592 15.090 1.00 0.00 C ATOM 61 C GLY A 7 0.154 12.687 14.149 1.00 0.00 C ATOM 62 O GLY A 7 -0.436 11.881 13.431 1.00 0.00 O ATOM 0 H GLY A 7 -1.601 14.420 13.437 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.073 14.033 15.810 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.332 12.997 15.657 1.00 0.00 H new ATOM 66 N MET A 8 1.477 12.822 14.152 1.00 0.00 N ATOM 67 CA MET A 8 2.329 12.010 13.291 1.00 0.00 C ATOM 68 C MET A 8 2.175 10.528 13.616 1.00 0.00 C ATOM 69 O MET A 8 2.564 10.075 14.692 1.00 0.00 O ATOM 70 CB MET A 8 3.792 12.429 13.445 1.00 0.00 C ATOM 71 CG MET A 8 4.688 11.931 12.322 1.00 0.00 C ATOM 72 SD MET A 8 4.357 12.755 10.753 1.00 0.00 S ATOM 73 CE MET A 8 4.526 11.386 9.610 1.00 0.00 C ATOM 0 H MET A 8 1.981 13.485 14.740 1.00 0.00 H new ATOM 0 HA MET A 8 2.019 12.171 12.258 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.847 13.517 13.488 1.00 0.00 H new ATOM 0 HB3 MET A 8 4.171 12.053 14.395 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.731 12.088 12.598 1.00 0.00 H new ATOM 0 HG3 MET A 8 4.549 10.857 12.200 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.350 11.737 8.593 1.00 0.00 H new ATOM 0 HE2 MET A 8 5.533 10.974 9.682 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.799 10.613 9.858 1.00 0.00 H new ATOM 83 N GLY A 9 1.604 9.776 12.679 1.00 0.00 N ATOM 84 CA GLY A 9 1.409 8.353 12.886 1.00 0.00 C ATOM 85 C GLY A 9 0.843 8.039 14.256 1.00 0.00 C ATOM 86 O GLY A 9 1.527 7.460 15.101 1.00 0.00 O ATOM 0 H GLY A 9 1.273 10.127 11.780 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.736 7.967 12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.361 7.837 12.763 1.00 0.00 H new ATOM 90 N ASP A 10 -0.410 8.422 14.479 1.00 0.00 N ATOM 91 CA ASP A 10 -1.068 8.179 15.757 1.00 0.00 C ATOM 92 C ASP A 10 -2.584 8.142 15.590 1.00 0.00 C ATOM 93 O ASP A 10 -3.221 9.175 15.386 1.00 0.00 O ATOM 94 CB ASP A 10 -0.680 9.258 16.769 1.00 0.00 C ATOM 95 CG ASP A 10 0.763 9.140 17.217 1.00 0.00 C ATOM 96 OD1 ASP A 10 1.107 8.119 17.848 1.00 0.00 O ATOM 97 OD2 ASP A 10 1.550 10.069 16.936 1.00 0.00 O ATOM 0 H ASP A 10 -0.990 8.902 13.791 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.738 7.209 16.128 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.841 10.241 16.327 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -1.334 9.189 17.638 1.00 0.00 H new ATOM 102 N GLY A 11 -3.155 6.945 15.675 1.00 0.00 N ATOM 103 CA GLY A 11 -4.591 6.796 15.529 1.00 0.00 C ATOM 104 C GLY A 11 -4.968 5.951 14.329 1.00 0.00 C ATOM 105 O GLY A 11 -5.671 6.414 13.431 1.00 0.00 O ATOM 0 H GLY A 11 -2.649 6.075 15.842 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.999 6.342 16.432 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.047 7.781 15.433 1.00 0.00 H new ATOM 109 N ALA A 12 -4.497 4.708 14.311 1.00 0.00 N ATOM 110 CA ALA A 12 -4.788 3.797 13.211 1.00 0.00 C ATOM 111 C ALA A 12 -6.292 3.648 13.005 1.00 0.00 C ATOM 112 O ALA A 12 -6.979 3.014 13.806 1.00 0.00 O ATOM 113 CB ALA A 12 -4.153 2.438 13.469 1.00 0.00 C ATOM 0 H ALA A 12 -3.912 4.309 15.046 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.362 4.219 12.301 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.378 1.768 12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.073 2.552 13.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.552 2.019 14.393 1.00 0.00 H new ATOM 119 N VAL A 13 -6.798 4.239 11.927 1.00 0.00 N ATOM 120 CA VAL A 13 -8.221 4.172 11.615 1.00 0.00 C ATOM 121 C VAL A 13 -8.763 2.762 11.823 1.00 0.00 C ATOM 122 O VAL A 13 -9.839 2.577 12.394 1.00 0.00 O ATOM 123 CB VAL A 13 -8.499 4.608 10.165 1.00 0.00 C ATOM 124 CG1 VAL A 13 -9.981 4.485 9.844 1.00 0.00 C ATOM 125 CG2 VAL A 13 -8.011 6.030 9.934 1.00 0.00 C ATOM 0 H VAL A 13 -6.244 4.770 11.255 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.727 4.857 12.295 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.951 3.946 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.158 4.798 8.815 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.295 3.449 9.967 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.554 5.121 10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.215 6.322 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.529 6.707 10.613 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.938 6.081 10.119 1.00 0.00 H new ATOM 135 N LYS A 14 -8.012 1.770 11.358 1.00 0.00 N ATOM 136 CA LYS A 14 -8.415 0.376 11.494 1.00 0.00 C ATOM 137 C LYS A 14 -7.214 -0.510 11.809 1.00 0.00 C ATOM 138 O LYS A 14 -6.157 -0.380 11.192 1.00 0.00 O ATOM 139 CB LYS A 14 -9.095 -0.107 10.210 1.00 0.00 C ATOM 140 CG LYS A 14 -9.554 -1.554 10.273 1.00 0.00 C ATOM 141 CD LYS A 14 -9.852 -2.105 8.888 1.00 0.00 C ATOM 142 CE LYS A 14 -10.116 -3.602 8.929 1.00 0.00 C ATOM 143 NZ LYS A 14 -11.392 -3.922 9.626 1.00 0.00 N ATOM 0 H LYS A 14 -7.120 1.906 10.883 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.122 0.307 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.955 0.530 10.002 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.403 0.010 9.376 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.784 -2.161 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.446 -1.627 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.719 -1.593 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.011 -1.901 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.150 -3.993 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.290 -4.102 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.207 -4.595 10.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.802 -3.050 10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.060 -4.345 8.950 1.00 0.00 H new ATOM 157 N GLN A 15 -7.384 -1.409 12.773 1.00 0.00 N ATOM 158 CA GLN A 15 -6.313 -2.316 13.169 1.00 0.00 C ATOM 159 C GLN A 15 -6.711 -3.768 12.924 1.00 0.00 C ATOM 160 O GLN A 15 -7.863 -4.149 13.128 1.00 0.00 O ATOM 161 CB GLN A 15 -5.964 -2.113 14.644 1.00 0.00 C ATOM 162 CG GLN A 15 -5.394 -0.737 14.950 1.00 0.00 C ATOM 163 CD GLN A 15 -5.611 -0.323 16.392 1.00 0.00 C ATOM 164 OE1 GLN A 15 -6.080 -1.112 17.213 1.00 0.00 O ATOM 165 NE2 GLN A 15 -5.269 0.921 16.709 1.00 0.00 N ATOM 0 H GLN A 15 -8.253 -1.529 13.294 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.437 -2.091 12.561 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.860 -2.268 15.245 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.242 -2.872 14.946 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -4.326 -0.734 14.732 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.856 -0.002 14.291 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.884 1.541 15.997 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.392 1.256 17.665 1.00 0.00 H new ATOM 174 N GLY A 16 -5.749 -4.574 12.484 1.00 0.00 N ATOM 175 CA GLY A 16 -6.019 -5.975 12.218 1.00 0.00 C ATOM 176 C GLY A 16 -4.764 -6.752 11.874 1.00 0.00 C ATOM 177 O GLY A 16 -3.659 -6.209 11.912 1.00 0.00 O ATOM 0 H GLY A 16 -4.788 -4.282 12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.492 -6.423 13.092 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.729 -6.055 11.395 1.00 0.00 H new ATOM 181 N PHE A 17 -4.932 -8.027 11.540 1.00 0.00 N ATOM 182 CA PHE A 17 -3.803 -8.881 11.190 1.00 0.00 C ATOM 183 C PHE A 17 -3.854 -9.274 9.717 1.00 0.00 C ATOM 184 O PHE A 17 -4.922 -9.570 9.178 1.00 0.00 O ATOM 185 CB PHE A 17 -3.797 -10.137 12.064 1.00 0.00 C ATOM 186 CG PHE A 17 -4.104 -9.863 13.509 1.00 0.00 C ATOM 187 CD1 PHE A 17 -3.165 -9.257 14.328 1.00 0.00 C ATOM 188 CD2 PHE A 17 -5.332 -10.211 14.048 1.00 0.00 C ATOM 189 CE1 PHE A 17 -3.444 -9.003 15.658 1.00 0.00 C ATOM 190 CE2 PHE A 17 -5.617 -9.960 15.377 1.00 0.00 C ATOM 191 CZ PHE A 17 -4.672 -9.356 16.183 1.00 0.00 C ATOM 0 H PHE A 17 -5.839 -8.492 11.504 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.886 -8.319 11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.528 -10.845 11.673 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.820 -10.615 11.993 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.203 -8.980 13.922 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.075 -10.684 13.423 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.703 -8.529 16.285 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.578 -10.236 15.785 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.893 -9.160 17.222 1.00 0.00 H new ATOM 201 N LEU A 18 -2.694 -9.274 9.070 1.00 0.00 N ATOM 202 CA LEU A 18 -2.605 -9.630 7.658 1.00 0.00 C ATOM 203 C LEU A 18 -1.488 -10.641 7.421 1.00 0.00 C ATOM 204 O LEU A 18 -0.451 -10.603 8.084 1.00 0.00 O ATOM 205 CB LEU A 18 -2.364 -8.379 6.811 1.00 0.00 C ATOM 206 CG LEU A 18 -3.553 -7.429 6.664 1.00 0.00 C ATOM 207 CD1 LEU A 18 -3.117 -6.125 6.015 1.00 0.00 C ATOM 208 CD2 LEU A 18 -4.663 -8.085 5.855 1.00 0.00 C ATOM 0 H LEU A 18 -1.802 -9.031 9.501 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.551 -10.085 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.533 -7.824 7.247 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.050 -8.693 5.816 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.939 -7.205 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.976 -5.461 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.357 -5.647 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.704 -6.330 5.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.501 -7.395 5.760 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.289 -8.339 4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.995 -8.991 6.361 1.00 0.00 H new ATOM 220 N TYR A 19 -1.705 -11.544 6.471 1.00 0.00 N ATOM 221 CA TYR A 19 -0.717 -12.566 6.146 1.00 0.00 C ATOM 222 C TYR A 19 0.012 -12.226 4.850 1.00 0.00 C ATOM 223 O TYR A 19 -0.613 -11.968 3.821 1.00 0.00 O ATOM 224 CB TYR A 19 -1.390 -13.934 6.022 1.00 0.00 C ATOM 225 CG TYR A 19 -2.339 -14.247 7.157 1.00 0.00 C ATOM 226 CD1 TYR A 19 -1.861 -14.621 8.406 1.00 0.00 C ATOM 227 CD2 TYR A 19 -3.715 -14.168 6.979 1.00 0.00 C ATOM 228 CE1 TYR A 19 -2.724 -14.909 9.445 1.00 0.00 C ATOM 229 CE2 TYR A 19 -4.586 -14.453 8.013 1.00 0.00 C ATOM 230 CZ TYR A 19 -4.086 -14.823 9.244 1.00 0.00 C ATOM 231 OH TYR A 19 -4.950 -15.108 10.276 1.00 0.00 O ATOM 0 H TYR A 19 -2.557 -11.589 5.912 1.00 0.00 H new ATOM 0 HA TYR A 19 0.013 -12.600 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.937 -13.976 5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.621 -14.705 5.979 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.795 -14.688 8.568 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.110 -13.879 6.016 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.335 -15.200 10.409 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.653 -14.386 7.858 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.874 -14.998 9.969 1.00 0.00 H new ATOM 241 N LEU A 20 1.339 -12.228 4.909 1.00 0.00 N ATOM 242 CA LEU A 20 2.157 -11.921 3.740 1.00 0.00 C ATOM 243 C LEU A 20 3.069 -13.092 3.391 1.00 0.00 C ATOM 244 O LEU A 20 3.873 -13.531 4.212 1.00 0.00 O ATOM 245 CB LEU A 20 2.994 -10.666 3.995 1.00 0.00 C ATOM 246 CG LEU A 20 4.143 -10.416 3.017 1.00 0.00 C ATOM 247 CD1 LEU A 20 3.658 -10.537 1.581 1.00 0.00 C ATOM 248 CD2 LEU A 20 4.762 -9.047 3.260 1.00 0.00 C ATOM 0 H LEU A 20 1.872 -12.439 5.753 1.00 0.00 H new ATOM 0 HA LEU A 20 1.490 -11.741 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.331 -9.801 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.407 -10.727 5.002 1.00 0.00 H new ATOM 0 HG LEU A 20 4.909 -11.173 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.489 -10.356 0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.263 -11.539 1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.873 -9.803 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.578 -8.886 2.555 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.005 -8.275 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.147 -8.998 4.278 1.00 0.00 H new ATOM 260 N GLN A 21 2.939 -13.591 2.165 1.00 0.00 N ATOM 261 CA GLN A 21 3.753 -14.711 1.707 1.00 0.00 C ATOM 262 C GLN A 21 5.119 -14.230 1.229 1.00 0.00 C ATOM 263 O GLN A 21 5.214 -13.408 0.318 1.00 0.00 O ATOM 264 CB GLN A 21 3.040 -15.460 0.581 1.00 0.00 C ATOM 265 CG GLN A 21 3.494 -16.903 0.426 1.00 0.00 C ATOM 266 CD GLN A 21 2.856 -17.591 -0.764 1.00 0.00 C ATOM 267 OE1 GLN A 21 3.441 -17.657 -1.845 1.00 0.00 O ATOM 268 NE2 GLN A 21 1.648 -18.110 -0.570 1.00 0.00 N ATOM 0 H GLN A 21 2.279 -13.238 1.472 1.00 0.00 H new ATOM 0 HA GLN A 21 3.900 -15.389 2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.966 -15.444 0.768 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.208 -14.932 -0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.578 -16.929 0.317 1.00 0.00 H new ATOM 0 HG3 GLN A 21 3.251 -17.456 1.334 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.200 -18.032 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.169 -18.586 -1.334 1.00 0.00 H new ATOM 277 N GLN A 22 6.174 -14.749 1.849 1.00 0.00 N ATOM 278 CA GLN A 22 7.535 -14.372 1.486 1.00 0.00 C ATOM 279 C GLN A 22 8.339 -15.591 1.045 1.00 0.00 C ATOM 280 O GLN A 22 7.862 -16.722 1.126 1.00 0.00 O ATOM 281 CB GLN A 22 8.229 -13.688 2.665 1.00 0.00 C ATOM 282 CG GLN A 22 7.708 -12.288 2.948 1.00 0.00 C ATOM 283 CD GLN A 22 8.255 -11.255 1.983 1.00 0.00 C ATOM 284 OE1 GLN A 22 8.375 -11.511 0.784 1.00 0.00 O ATOM 285 NE2 GLN A 22 8.590 -10.079 2.500 1.00 0.00 N ATOM 0 H GLN A 22 6.112 -15.431 2.605 1.00 0.00 H new ATOM 0 HA GLN A 22 7.481 -13.674 0.651 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.101 -14.302 3.557 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.299 -13.635 2.465 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.619 -12.291 2.892 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.974 -12.005 3.966 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.474 -9.909 3.499 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.963 -9.345 1.898 1.00 0.00 H new ATOM 294 N GLN A 23 9.561 -15.351 0.580 1.00 0.00 N ATOM 295 CA GLN A 23 10.430 -16.430 0.125 1.00 0.00 C ATOM 296 C GLN A 23 11.748 -16.427 0.893 1.00 0.00 C ATOM 297 O GLN A 23 12.816 -16.607 0.309 1.00 0.00 O ATOM 298 CB GLN A 23 10.699 -16.299 -1.375 1.00 0.00 C ATOM 299 CG GLN A 23 11.601 -17.390 -1.929 1.00 0.00 C ATOM 300 CD GLN A 23 11.464 -18.698 -1.175 1.00 0.00 C ATOM 301 OE1 GLN A 23 12.169 -18.940 -0.195 1.00 0.00 O ATOM 302 NE2 GLN A 23 10.553 -19.551 -1.629 1.00 0.00 N ATOM 0 H GLN A 23 9.971 -14.420 0.509 1.00 0.00 H new ATOM 0 HA GLN A 23 9.923 -17.376 0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.749 -16.319 -1.909 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.155 -15.328 -1.571 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.363 -17.554 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.638 -17.056 -1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.990 -19.310 -2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.416 -20.447 -1.162 1.00 0.00 H new ATOM 311 N GLN A 24 11.663 -16.222 2.203 1.00 0.00 N ATOM 312 CA GLN A 24 12.850 -16.195 3.050 1.00 0.00 C ATOM 313 C GLN A 24 13.577 -17.535 3.012 1.00 0.00 C ATOM 314 O GLN A 24 14.698 -17.632 2.512 1.00 0.00 O ATOM 315 CB GLN A 24 12.467 -15.849 4.490 1.00 0.00 C ATOM 316 CG GLN A 24 13.614 -15.272 5.303 1.00 0.00 C ATOM 317 CD GLN A 24 13.169 -14.755 6.657 1.00 0.00 C ATOM 318 OE1 GLN A 24 13.197 -15.480 7.651 1.00 0.00 O ATOM 319 NE2 GLN A 24 12.753 -13.494 6.702 1.00 0.00 N ATOM 0 H GLN A 24 10.786 -16.072 2.701 1.00 0.00 H new ATOM 0 HA GLN A 24 13.522 -15.427 2.666 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.646 -15.132 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.098 -16.747 4.985 1.00 0.00 H new ATOM 0 HG2 GLN A 24 14.376 -16.039 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 24 14.078 -14.460 4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.746 -12.929 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.440 -13.091 7.585 1.00 0.00 H new ATOM 328 N THR A 25 12.931 -18.568 3.543 1.00 0.00 N ATOM 329 CA THR A 25 13.515 -19.903 3.572 1.00 0.00 C ATOM 330 C THR A 25 12.812 -20.832 2.589 1.00 0.00 C ATOM 331 O THR A 25 11.602 -20.736 2.386 1.00 0.00 O ATOM 332 CB THR A 25 13.445 -20.517 4.982 1.00 0.00 C ATOM 333 OG1 THR A 25 13.904 -19.570 5.953 1.00 0.00 O ATOM 334 CG2 THR A 25 14.285 -21.783 5.064 1.00 0.00 C ATOM 0 H THR A 25 12.002 -18.505 3.959 1.00 0.00 H new ATOM 0 HA THR A 25 14.560 -19.797 3.283 1.00 0.00 H new ATOM 0 HB THR A 25 12.407 -20.775 5.190 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.854 -19.968 6.847 1.00 0.00 H new ATOM 0 HG21 THR A 25 14.220 -22.198 6.070 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.914 -22.513 4.345 1.00 0.00 H new ATOM 0 HG23 THR A 25 15.324 -21.546 4.836 1.00 0.00 H new ATOM 342 N PHE A 26 13.578 -21.733 1.982 1.00 0.00 N ATOM 343 CA PHE A 26 13.028 -22.680 1.020 1.00 0.00 C ATOM 344 C PHE A 26 11.629 -23.127 1.435 1.00 0.00 C ATOM 345 O PHE A 26 11.450 -23.753 2.478 1.00 0.00 O ATOM 346 CB PHE A 26 13.946 -23.897 0.888 1.00 0.00 C ATOM 347 CG PHE A 26 13.903 -24.812 2.078 1.00 0.00 C ATOM 348 CD1 PHE A 26 14.511 -24.451 3.269 1.00 0.00 C ATOM 349 CD2 PHE A 26 13.255 -26.035 2.005 1.00 0.00 C ATOM 350 CE1 PHE A 26 14.473 -25.290 4.366 1.00 0.00 C ATOM 351 CE2 PHE A 26 13.213 -26.878 3.099 1.00 0.00 C ATOM 352 CZ PHE A 26 13.824 -26.506 4.280 1.00 0.00 C ATOM 0 H PHE A 26 14.581 -21.827 2.140 1.00 0.00 H new ATOM 0 HA PHE A 26 12.959 -22.179 0.054 1.00 0.00 H new ATOM 0 HB2 PHE A 26 13.665 -24.459 -0.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 14.970 -23.555 0.739 1.00 0.00 H new ATOM 0 HD1 PHE A 26 15.021 -23.502 3.341 1.00 0.00 H new ATOM 0 HD2 PHE A 26 12.778 -26.332 1.083 1.00 0.00 H new ATOM 0 HE1 PHE A 26 14.950 -24.995 5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 26 12.703 -27.827 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 26 13.794 -27.165 5.135 1.00 0.00 H new ATOM 362 N GLY A 27 10.640 -22.798 0.610 1.00 0.00 N ATOM 363 CA GLY A 27 9.270 -23.173 0.908 1.00 0.00 C ATOM 364 C GLY A 27 8.427 -21.989 1.339 1.00 0.00 C ATOM 365 O GLY A 27 8.249 -21.746 2.533 1.00 0.00 O ATOM 0 H GLY A 27 10.763 -22.279 -0.259 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.822 -23.633 0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 27 9.266 -23.925 1.697 1.00 0.00 H new ATOM 369 N LYS A 28 7.906 -21.250 0.366 1.00 0.00 N ATOM 370 CA LYS A 28 7.077 -20.085 0.650 1.00 0.00 C ATOM 371 C LYS A 28 5.970 -20.433 1.640 1.00 0.00 C ATOM 372 O LYS A 28 5.144 -21.309 1.382 1.00 0.00 O ATOM 373 CB LYS A 28 6.466 -19.540 -0.644 1.00 0.00 C ATOM 374 CG LYS A 28 7.458 -18.791 -1.516 1.00 0.00 C ATOM 375 CD LYS A 28 6.765 -17.753 -2.383 1.00 0.00 C ATOM 376 CE LYS A 28 6.263 -18.358 -3.685 1.00 0.00 C ATOM 377 NZ LYS A 28 7.365 -18.552 -4.667 1.00 0.00 N ATOM 0 H LYS A 28 8.043 -21.437 -0.627 1.00 0.00 H new ATOM 0 HA LYS A 28 7.711 -19.319 1.096 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.046 -20.368 -1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.640 -18.874 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.201 -18.303 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.993 -19.498 -2.150 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.928 -17.321 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.457 -16.940 -2.602 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.786 -19.317 -3.480 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.501 -17.709 -4.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.969 -18.870 -5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.869 -17.653 -4.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.028 -19.269 -4.308 1.00 0.00 H new ATOM 391 N LYS A 29 5.957 -19.740 2.774 1.00 0.00 N ATOM 392 CA LYS A 29 4.950 -19.973 3.802 1.00 0.00 C ATOM 393 C LYS A 29 4.209 -18.683 4.140 1.00 0.00 C ATOM 394 O LYS A 29 4.657 -17.590 3.795 1.00 0.00 O ATOM 395 CB LYS A 29 5.602 -20.544 5.063 1.00 0.00 C ATOM 396 CG LYS A 29 6.642 -19.625 5.680 1.00 0.00 C ATOM 397 CD LYS A 29 6.804 -19.885 7.168 1.00 0.00 C ATOM 398 CE LYS A 29 7.707 -21.082 7.430 1.00 0.00 C ATOM 399 NZ LYS A 29 9.116 -20.810 7.032 1.00 0.00 N ATOM 0 H LYS A 29 6.633 -19.012 3.004 1.00 0.00 H new ATOM 0 HA LYS A 29 4.230 -20.694 3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.827 -20.749 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.071 -21.497 4.820 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.599 -19.769 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.351 -18.587 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.221 -19.001 7.650 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.826 -20.061 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.672 -21.339 8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.334 -21.946 6.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.749 -21.478 7.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.214 -20.924 6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.370 -19.837 7.298 1.00 0.00 H new ATOM 413 N TRP A 30 3.074 -18.819 4.817 1.00 0.00 N ATOM 414 CA TRP A 30 2.272 -17.664 5.203 1.00 0.00 C ATOM 415 C TRP A 30 2.721 -17.115 6.553 1.00 0.00 C ATOM 416 O TRP A 30 2.526 -17.753 7.588 1.00 0.00 O ATOM 417 CB TRP A 30 0.791 -18.041 5.259 1.00 0.00 C ATOM 418 CG TRP A 30 0.131 -18.057 3.913 1.00 0.00 C ATOM 419 CD1 TRP A 30 -0.302 -19.155 3.227 1.00 0.00 C ATOM 420 CD2 TRP A 30 -0.168 -16.924 3.092 1.00 0.00 C ATOM 421 NE1 TRP A 30 -0.853 -18.772 2.027 1.00 0.00 N ATOM 422 CE2 TRP A 30 -0.784 -17.408 1.921 1.00 0.00 C ATOM 423 CE3 TRP A 30 0.022 -15.546 3.232 1.00 0.00 C ATOM 424 CZ2 TRP A 30 -1.208 -16.563 0.899 1.00 0.00 C ATOM 425 CZ3 TRP A 30 -0.400 -14.709 2.217 1.00 0.00 C ATOM 426 CH2 TRP A 30 -1.009 -15.219 1.063 1.00 0.00 C ATOM 0 H TRP A 30 2.689 -19.717 5.110 1.00 0.00 H new ATOM 0 HA TRP A 30 2.414 -16.888 4.451 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.691 -19.025 5.717 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.268 -17.335 5.904 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -0.223 -20.174 3.576 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -1.249 -19.401 1.329 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.490 -15.143 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.677 -16.954 0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -0.258 -13.643 2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -1.328 -14.538 0.288 1.00 0.00 H new ATOM 437 N ARG A 31 3.322 -15.930 6.536 1.00 0.00 N ATOM 438 CA ARG A 31 3.800 -15.298 7.759 1.00 0.00 C ATOM 439 C ARG A 31 2.907 -14.122 8.147 1.00 0.00 C ATOM 440 O ARG A 31 2.761 -13.164 7.389 1.00 0.00 O ATOM 441 CB ARG A 31 5.242 -14.820 7.582 1.00 0.00 C ATOM 442 CG ARG A 31 6.263 -15.946 7.596 1.00 0.00 C ATOM 443 CD ARG A 31 7.633 -15.450 8.034 1.00 0.00 C ATOM 444 NE ARG A 31 8.684 -16.423 7.747 1.00 0.00 N ATOM 445 CZ ARG A 31 9.892 -16.384 8.298 1.00 0.00 C ATOM 446 NH1 ARG A 31 10.199 -15.425 9.161 1.00 0.00 N ATOM 447 NH2 ARG A 31 10.795 -17.305 7.986 1.00 0.00 N ATOM 0 H ARG A 31 3.489 -15.388 5.688 1.00 0.00 H new ATOM 0 HA ARG A 31 3.766 -16.038 8.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.323 -14.279 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.482 -14.114 8.377 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.928 -16.734 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.335 -16.386 6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 31 7.859 -14.512 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 31 7.617 -15.238 9.103 1.00 0.00 H new ATOM 0 HE ARG A 31 8.479 -17.173 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.507 -14.716 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.127 -15.397 9.583 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.562 -18.044 7.322 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.722 -17.274 8.410 1.00 0.00 H new ATOM 461 N ARG A 32 2.312 -14.205 9.333 1.00 0.00 N ATOM 462 CA ARG A 32 1.432 -13.149 9.821 1.00 0.00 C ATOM 463 C ARG A 32 2.241 -11.953 10.316 1.00 0.00 C ATOM 464 O ARG A 32 3.308 -12.114 10.908 1.00 0.00 O ATOM 465 CB ARG A 32 0.542 -13.678 10.947 1.00 0.00 C ATOM 466 CG ARG A 32 -0.584 -12.731 11.329 1.00 0.00 C ATOM 467 CD ARG A 32 -1.361 -13.245 12.531 1.00 0.00 C ATOM 468 NE ARG A 32 -0.789 -12.781 13.792 1.00 0.00 N ATOM 469 CZ ARG A 32 -1.287 -13.092 14.983 1.00 0.00 C ATOM 470 NH1 ARG A 32 -2.362 -13.863 15.075 1.00 0.00 N ATOM 471 NH2 ARG A 32 -0.711 -12.631 16.086 1.00 0.00 N ATOM 0 H ARG A 32 2.423 -14.991 9.973 1.00 0.00 H new ATOM 0 HA ARG A 32 0.803 -12.822 8.993 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.114 -14.633 10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.158 -13.870 11.826 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.173 -11.747 11.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.260 -12.608 10.483 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.398 -12.916 12.460 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.371 -14.335 12.517 1.00 0.00 H new ATOM 0 HE ARG A 32 0.038 -12.185 13.756 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.808 -14.219 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.742 -14.100 15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.115 -12.037 16.020 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.095 -12.871 17.000 1.00 0.00 H new ATOM 485 N PHE A 33 1.725 -10.754 10.069 1.00 0.00 N ATOM 486 CA PHE A 33 2.399 -9.531 10.488 1.00 0.00 C ATOM 487 C PHE A 33 1.387 -8.457 10.875 1.00 0.00 C ATOM 488 O PHE A 33 0.531 -8.078 10.076 1.00 0.00 O ATOM 489 CB PHE A 33 3.305 -9.013 9.368 1.00 0.00 C ATOM 490 CG PHE A 33 4.310 -10.024 8.895 1.00 0.00 C ATOM 491 CD1 PHE A 33 5.248 -10.550 9.769 1.00 0.00 C ATOM 492 CD2 PHE A 33 4.318 -10.448 7.576 1.00 0.00 C ATOM 493 CE1 PHE A 33 6.174 -11.481 9.337 1.00 0.00 C ATOM 494 CE2 PHE A 33 5.241 -11.379 7.138 1.00 0.00 C ATOM 495 CZ PHE A 33 6.171 -11.895 8.019 1.00 0.00 C ATOM 0 H PHE A 33 0.842 -10.603 9.581 1.00 0.00 H new ATOM 0 HA PHE A 33 3.008 -9.763 11.361 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.687 -8.705 8.525 1.00 0.00 H new ATOM 0 HB3 PHE A 33 3.832 -8.125 9.719 1.00 0.00 H new ATOM 0 HD1 PHE A 33 5.256 -10.229 10.800 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.595 -10.046 6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 33 6.899 -11.884 10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.235 -11.703 6.108 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.895 -12.621 7.678 1.00 0.00 H new ATOM 505 N GLY A 34 1.491 -7.971 12.108 1.00 0.00 N ATOM 506 CA GLY A 34 0.578 -6.946 12.581 1.00 0.00 C ATOM 507 C GLY A 34 0.259 -5.917 11.515 1.00 0.00 C ATOM 508 O GLY A 34 1.160 -5.303 10.945 1.00 0.00 O ATOM 0 H GLY A 34 2.191 -8.268 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.347 -7.415 12.917 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.015 -6.446 13.445 1.00 0.00 H new ATOM 512 N ALA A 35 -1.029 -5.730 11.243 1.00 0.00 N ATOM 513 CA ALA A 35 -1.465 -4.768 10.238 1.00 0.00 C ATOM 514 C ALA A 35 -2.155 -3.573 10.885 1.00 0.00 C ATOM 515 O ALA A 35 -3.026 -3.735 11.740 1.00 0.00 O ATOM 516 CB ALA A 35 -2.393 -5.438 9.235 1.00 0.00 C ATOM 0 H ALA A 35 -1.788 -6.232 11.704 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.583 -4.403 9.712 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.711 -4.709 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.866 -6.255 8.741 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.267 -5.831 9.754 1.00 0.00 H new ATOM 522 N SER A 36 -1.761 -2.373 10.472 1.00 0.00 N ATOM 523 CA SER A 36 -2.339 -1.149 11.016 1.00 0.00 C ATOM 524 C SER A 36 -2.634 -0.147 9.904 1.00 0.00 C ATOM 525 O SER A 36 -1.766 0.168 9.089 1.00 0.00 O ATOM 526 CB SER A 36 -1.392 -0.525 12.042 1.00 0.00 C ATOM 527 OG SER A 36 -1.196 -1.389 13.148 1.00 0.00 O ATOM 0 H SER A 36 -1.044 -2.222 9.763 1.00 0.00 H new ATOM 0 HA SER A 36 -3.277 -1.407 11.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.433 -0.308 11.572 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.800 0.425 12.387 1.00 0.00 H new ATOM 0 HG SER A 36 -0.586 -0.967 13.788 1.00 0.00 H new ATOM 533 N LEU A 37 -3.865 0.351 9.877 1.00 0.00 N ATOM 534 CA LEU A 37 -4.277 1.318 8.865 1.00 0.00 C ATOM 535 C LEU A 37 -4.419 2.711 9.469 1.00 0.00 C ATOM 536 O LEU A 37 -5.263 2.941 10.335 1.00 0.00 O ATOM 537 CB LEU A 37 -5.601 0.888 8.230 1.00 0.00 C ATOM 538 CG LEU A 37 -6.180 1.836 7.179 1.00 0.00 C ATOM 539 CD1 LEU A 37 -5.230 1.969 5.999 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.545 1.349 6.716 1.00 0.00 C ATOM 0 H LEU A 37 -4.595 0.101 10.544 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.506 1.353 8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.460 -0.090 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.338 0.763 9.023 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.302 2.820 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.659 2.647 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.275 2.365 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.075 0.990 5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.942 2.036 5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.448 0.355 6.280 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -8.224 1.307 7.567 1.00 0.00 H new ATOM 552 N TYR A 38 -3.588 3.638 9.006 1.00 0.00 N ATOM 553 CA TYR A 38 -3.619 5.009 9.500 1.00 0.00 C ATOM 554 C TYR A 38 -4.186 5.956 8.447 1.00 0.00 C ATOM 555 O TYR A 38 -4.127 5.677 7.250 1.00 0.00 O ATOM 556 CB TYR A 38 -2.215 5.460 9.905 1.00 0.00 C ATOM 557 CG TYR A 38 -1.593 4.608 10.988 1.00 0.00 C ATOM 558 CD1 TYR A 38 -1.890 4.827 12.327 1.00 0.00 C ATOM 559 CD2 TYR A 38 -0.709 3.584 10.672 1.00 0.00 C ATOM 560 CE1 TYR A 38 -1.324 4.051 13.320 1.00 0.00 C ATOM 561 CE2 TYR A 38 -0.139 2.802 11.658 1.00 0.00 C ATOM 562 CZ TYR A 38 -0.450 3.040 12.981 1.00 0.00 C ATOM 563 OH TYR A 38 0.117 2.264 13.966 1.00 0.00 O ATOM 0 H TYR A 38 -2.884 3.464 8.289 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.269 5.037 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -1.570 5.444 9.026 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.260 6.493 10.248 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.575 5.617 12.596 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.463 3.396 9.637 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.565 4.235 14.357 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.546 2.009 11.395 1.00 0.00 H new ATOM 0 HH TYR A 38 0.708 1.597 13.558 1.00 0.00 H new ATOM 573 N GLY A 39 -4.736 7.077 8.902 1.00 0.00 N ATOM 574 CA GLY A 39 -5.305 8.049 7.987 1.00 0.00 C ATOM 575 C GLY A 39 -6.707 8.467 8.383 1.00 0.00 C ATOM 576 O GLY A 39 -6.935 8.914 9.507 1.00 0.00 O ATOM 0 H GLY A 39 -4.798 7.330 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.663 8.929 7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.325 7.629 6.982 1.00 0.00 H new ATOM 580 N GLY A 40 -7.650 8.323 7.457 1.00 0.00 N ATOM 581 CA GLY A 40 -9.025 8.695 7.735 1.00 0.00 C ATOM 582 C GLY A 40 -9.182 10.179 8.001 1.00 0.00 C ATOM 583 O GLY A 40 -9.215 10.983 7.071 1.00 0.00 O ATOM 0 H GLY A 40 -7.486 7.956 6.520 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.653 8.412 6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.382 8.134 8.599 1.00 0.00 H new ATOM 587 N SER A 41 -9.281 10.542 9.276 1.00 0.00 N ATOM 588 CA SER A 41 -9.441 11.939 9.663 1.00 0.00 C ATOM 589 C SER A 41 -8.674 12.856 8.715 1.00 0.00 C ATOM 590 O SER A 41 -9.226 13.817 8.181 1.00 0.00 O ATOM 591 CB SER A 41 -8.958 12.151 11.099 1.00 0.00 C ATOM 592 OG SER A 41 -9.838 11.542 12.028 1.00 0.00 O ATOM 0 H SER A 41 -9.253 9.888 10.058 1.00 0.00 H new ATOM 0 HA SER A 41 -10.500 12.188 9.604 1.00 0.00 H new ATOM 0 HB2 SER A 41 -7.957 11.735 11.215 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.885 13.218 11.308 1.00 0.00 H new ATOM 0 HG SER A 41 -9.506 11.690 12.938 1.00 0.00 H new ATOM 598 N ASP A 42 -7.397 12.551 8.512 1.00 0.00 N ATOM 599 CA ASP A 42 -6.552 13.346 7.629 1.00 0.00 C ATOM 600 C ASP A 42 -6.518 12.748 6.226 1.00 0.00 C ATOM 601 O ASP A 42 -5.885 11.718 5.994 1.00 0.00 O ATOM 602 CB ASP A 42 -5.133 13.438 8.192 1.00 0.00 C ATOM 603 CG ASP A 42 -5.111 13.905 9.634 1.00 0.00 C ATOM 604 OD1 ASP A 42 -5.995 13.482 10.407 1.00 0.00 O ATOM 605 OD2 ASP A 42 -4.210 14.695 9.989 1.00 0.00 O ATOM 0 H ASP A 42 -6.924 11.759 8.947 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.976 14.348 7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.654 12.462 8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.547 14.125 7.582 1.00 0.00 H new ATOM 610 N CYS A 43 -7.204 13.401 5.294 1.00 0.00 N ATOM 611 CA CYS A 43 -7.255 12.932 3.913 1.00 0.00 C ATOM 612 C CYS A 43 -5.910 13.131 3.222 1.00 0.00 C ATOM 613 O CYS A 43 -5.717 12.707 2.083 1.00 0.00 O ATOM 614 CB CYS A 43 -8.351 13.669 3.143 1.00 0.00 C ATOM 615 SG CYS A 43 -8.749 12.933 1.540 1.00 0.00 S ATOM 0 H CYS A 43 -7.732 14.256 5.469 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.483 11.866 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.254 13.695 3.753 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.040 14.702 2.989 1.00 0.00 H new ATOM 0 HG CYS A 43 -7.657 12.519 0.969 1.00 0.00 H new ATOM 621 N ALA A 44 -4.982 13.780 3.919 1.00 0.00 N ATOM 622 CA ALA A 44 -3.655 14.035 3.373 1.00 0.00 C ATOM 623 C ALA A 44 -2.611 13.136 4.026 1.00 0.00 C ATOM 624 O ALA A 44 -1.410 13.396 3.938 1.00 0.00 O ATOM 625 CB ALA A 44 -3.282 15.499 3.554 1.00 0.00 C ATOM 0 H ALA A 44 -5.126 14.139 4.863 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.677 13.807 2.307 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.288 15.675 3.142 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.007 16.126 3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.283 15.746 4.616 1.00 0.00 H new ATOM 631 N LEU A 45 -3.075 12.077 4.681 1.00 0.00 N ATOM 632 CA LEU A 45 -2.181 11.139 5.350 1.00 0.00 C ATOM 633 C LEU A 45 -2.778 9.736 5.369 1.00 0.00 C ATOM 634 O LEU A 45 -3.937 9.549 5.738 1.00 0.00 O ATOM 635 CB LEU A 45 -1.898 11.604 6.780 1.00 0.00 C ATOM 636 CG LEU A 45 -0.702 12.540 6.957 1.00 0.00 C ATOM 637 CD1 LEU A 45 -0.686 13.125 8.361 1.00 0.00 C ATOM 638 CD2 LEU A 45 0.598 11.804 6.670 1.00 0.00 C ATOM 0 H LEU A 45 -4.065 11.847 4.763 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.245 11.108 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.787 12.107 7.160 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.740 10.723 7.403 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.797 13.359 6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.172 13.789 8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.604 13.688 8.531 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.615 12.318 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.439 12.486 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.701 10.965 7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.588 11.433 5.645 1.00 0.00 H new ATOM 650 N ALA A 46 -1.979 8.752 4.969 1.00 0.00 N ATOM 651 CA ALA A 46 -2.427 7.366 4.943 1.00 0.00 C ATOM 652 C ALA A 46 -1.285 6.426 4.570 1.00 0.00 C ATOM 653 O ALA A 46 -0.666 6.575 3.516 1.00 0.00 O ATOM 654 CB ALA A 46 -3.586 7.204 3.971 1.00 0.00 C ATOM 0 H ALA A 46 -1.017 8.890 4.658 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.767 7.102 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.910 6.163 3.962 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.414 7.840 4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.265 7.493 2.970 1.00 0.00 H new ATOM 660 N ARG A 47 -1.012 5.460 5.440 1.00 0.00 N ATOM 661 CA ARG A 47 0.057 4.497 5.201 1.00 0.00 C ATOM 662 C ARG A 47 -0.200 3.199 5.961 1.00 0.00 C ATOM 663 O ARG A 47 -0.747 3.211 7.064 1.00 0.00 O ATOM 664 CB ARG A 47 1.406 5.087 5.620 1.00 0.00 C ATOM 665 CG ARG A 47 1.464 5.496 7.082 1.00 0.00 C ATOM 666 CD ARG A 47 2.869 5.912 7.489 1.00 0.00 C ATOM 667 NE ARG A 47 3.348 7.052 6.712 1.00 0.00 N ATOM 668 CZ ARG A 47 3.032 8.313 6.986 1.00 0.00 C ATOM 669 NH1 ARG A 47 2.241 8.594 8.012 1.00 0.00 N ATOM 670 NH2 ARG A 47 3.508 9.296 6.232 1.00 0.00 N ATOM 0 H ARG A 47 -1.516 5.323 6.316 1.00 0.00 H new ATOM 0 HA ARG A 47 0.080 4.275 4.134 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.190 4.355 5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.621 5.957 4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.774 6.321 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.134 4.666 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.879 6.166 8.549 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.549 5.071 7.356 1.00 0.00 H new ATOM 0 HE ARG A 47 3.959 6.870 5.915 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.873 7.841 8.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.000 9.563 8.220 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.117 9.084 5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.265 10.264 6.443 1.00 0.00 H new ATOM 684 N LEU A 48 0.196 2.081 5.362 1.00 0.00 N ATOM 685 CA LEU A 48 0.008 0.774 5.982 1.00 0.00 C ATOM 686 C LEU A 48 1.309 0.272 6.599 1.00 0.00 C ATOM 687 O LEU A 48 2.314 0.114 5.907 1.00 0.00 O ATOM 688 CB LEU A 48 -0.503 -0.233 4.949 1.00 0.00 C ATOM 689 CG LEU A 48 -1.392 -1.354 5.487 1.00 0.00 C ATOM 690 CD1 LEU A 48 -2.679 -0.785 6.063 1.00 0.00 C ATOM 691 CD2 LEU A 48 -1.697 -2.365 4.392 1.00 0.00 C ATOM 0 H LEU A 48 0.649 2.053 4.448 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.732 0.878 6.776 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.060 0.311 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.357 -0.684 4.455 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.855 -1.865 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.299 -1.598 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.442 -0.101 6.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.220 -0.248 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.331 -3.156 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.213 -1.867 3.571 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.766 -2.797 4.026 1.00 0.00 H new ATOM 703 N GLU A 49 1.280 0.020 7.904 1.00 0.00 N ATOM 704 CA GLU A 49 2.458 -0.467 8.613 1.00 0.00 C ATOM 705 C GLU A 49 2.442 -1.989 8.714 1.00 0.00 C ATOM 706 O GLU A 49 1.401 -2.624 8.537 1.00 0.00 O ATOM 707 CB GLU A 49 2.528 0.147 10.013 1.00 0.00 C ATOM 708 CG GLU A 49 3.210 1.504 10.049 1.00 0.00 C ATOM 709 CD GLU A 49 4.703 1.413 9.802 1.00 0.00 C ATOM 710 OE1 GLU A 49 5.299 0.371 10.149 1.00 0.00 O ATOM 711 OE2 GLU A 49 5.277 2.382 9.263 1.00 0.00 O ATOM 0 H GLU A 49 0.455 0.145 8.491 1.00 0.00 H new ATOM 0 HA GLU A 49 3.340 -0.167 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.517 0.247 10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.062 -0.536 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.760 2.153 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.034 1.970 11.019 1.00 0.00 H new ATOM 718 N LEU A 50 3.603 -2.569 8.998 1.00 0.00 N ATOM 719 CA LEU A 50 3.724 -4.018 9.122 1.00 0.00 C ATOM 720 C LEU A 50 4.727 -4.389 10.210 1.00 0.00 C ATOM 721 O LEU A 50 5.756 -3.733 10.369 1.00 0.00 O ATOM 722 CB LEU A 50 4.153 -4.630 7.788 1.00 0.00 C ATOM 723 CG LEU A 50 3.081 -4.683 6.699 1.00 0.00 C ATOM 724 CD1 LEU A 50 3.668 -5.202 5.396 1.00 0.00 C ATOM 725 CD2 LEU A 50 1.913 -5.552 7.142 1.00 0.00 C ATOM 0 H LEU A 50 4.474 -2.059 9.147 1.00 0.00 H new ATOM 0 HA LEU A 50 2.749 -4.417 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.002 -4.062 7.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.505 -5.645 7.973 1.00 0.00 H new ATOM 0 HG LEU A 50 2.713 -3.671 6.530 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.890 -5.233 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.471 -4.541 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.065 -6.205 5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.160 -5.578 6.355 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.267 -6.564 7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.475 -5.137 8.050 1.00 0.00 H new ATOM 737 N GLN A 51 4.420 -5.446 10.955 1.00 0.00 N ATOM 738 CA GLN A 51 5.295 -5.905 12.027 1.00 0.00 C ATOM 739 C GLN A 51 5.864 -7.285 11.712 1.00 0.00 C ATOM 740 O GLN A 51 5.175 -8.296 11.849 1.00 0.00 O ATOM 741 CB GLN A 51 4.535 -5.944 13.354 1.00 0.00 C ATOM 742 CG GLN A 51 3.953 -4.601 13.761 1.00 0.00 C ATOM 743 CD GLN A 51 3.224 -4.659 15.089 1.00 0.00 C ATOM 744 OE1 GLN A 51 3.633 -5.375 16.004 1.00 0.00 O ATOM 745 NE2 GLN A 51 2.138 -3.903 15.202 1.00 0.00 N ATOM 0 H GLN A 51 3.572 -6.000 10.836 1.00 0.00 H new ATOM 0 HA GLN A 51 6.123 -5.201 12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 51 3.728 -6.673 13.280 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.207 -6.292 14.138 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.755 -3.866 13.823 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.265 -4.258 12.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.835 -3.325 14.418 1.00 0.00 H new ATOM 0 HE22 GLN A 51 1.607 -3.900 16.073 1.00 0.00 H new ATOM 754 N GLU A 52 7.123 -7.318 11.289 1.00 0.00 N ATOM 755 CA GLU A 52 7.783 -8.575 10.954 1.00 0.00 C ATOM 756 C GLU A 52 8.144 -9.354 12.215 1.00 0.00 C ATOM 757 O GLU A 52 9.312 -9.441 12.592 1.00 0.00 O ATOM 758 CB GLU A 52 9.043 -8.310 10.127 1.00 0.00 C ATOM 759 CG GLU A 52 9.561 -9.538 9.396 1.00 0.00 C ATOM 760 CD GLU A 52 8.899 -9.735 8.046 1.00 0.00 C ATOM 761 OE1 GLU A 52 7.749 -9.279 7.877 1.00 0.00 O ATOM 762 OE2 GLU A 52 9.531 -10.346 7.159 1.00 0.00 O ATOM 0 H GLU A 52 7.707 -6.490 11.170 1.00 0.00 H new ATOM 0 HA GLU A 52 7.089 -9.174 10.365 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.832 -7.527 9.399 1.00 0.00 H new ATOM 0 HB3 GLU A 52 9.826 -7.932 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.638 -9.447 9.258 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.392 -10.421 10.012 1.00 0.00 H new ATOM 769 N GLY A 53 7.130 -9.918 12.865 1.00 0.00 N ATOM 770 CA GLY A 53 7.360 -10.682 14.078 1.00 0.00 C ATOM 771 C GLY A 53 6.803 -9.996 15.309 1.00 0.00 C ATOM 772 O GLY A 53 7.119 -8.842 15.600 1.00 0.00 O ATOM 0 H GLY A 53 6.154 -9.860 12.574 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.903 -11.666 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.431 -10.840 14.207 1.00 0.00 H new ATOM 776 N PRO A 54 5.950 -10.713 16.056 1.00 0.00 N ATOM 777 CA PRO A 54 5.328 -10.186 17.274 1.00 0.00 C ATOM 778 C PRO A 54 6.332 -10.014 18.410 1.00 0.00 C ATOM 779 O PRO A 54 6.375 -8.969 19.059 1.00 0.00 O ATOM 780 CB PRO A 54 4.291 -11.253 17.634 1.00 0.00 C ATOM 781 CG PRO A 54 4.813 -12.508 17.026 1.00 0.00 C ATOM 782 CD PRO A 54 5.527 -12.094 15.769 1.00 0.00 C ATOM 0 HA PRO A 54 4.903 -9.195 17.118 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.183 -11.351 18.714 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.308 -11.000 17.237 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.491 -13.020 17.709 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.001 -13.201 16.804 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.380 -12.740 15.560 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.871 -12.141 14.900 1.00 0.00 H new ATOM 790 N GLU A 55 7.137 -11.046 18.643 1.00 0.00 N ATOM 791 CA GLU A 55 8.139 -11.008 19.701 1.00 0.00 C ATOM 792 C GLU A 55 9.498 -10.588 19.148 1.00 0.00 C ATOM 793 O GLU A 55 9.765 -10.725 17.953 1.00 0.00 O ATOM 794 CB GLU A 55 8.252 -12.376 20.377 1.00 0.00 C ATOM 795 CG GLU A 55 7.036 -12.744 21.211 1.00 0.00 C ATOM 796 CD GLU A 55 5.909 -13.319 20.376 1.00 0.00 C ATOM 797 OE1 GLU A 55 6.194 -14.137 19.477 1.00 0.00 O ATOM 798 OE2 GLU A 55 4.741 -12.951 20.621 1.00 0.00 O ATOM 0 H GLU A 55 7.115 -11.918 18.114 1.00 0.00 H new ATOM 0 HA GLU A 55 7.823 -10.271 20.439 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.402 -13.138 19.613 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.136 -12.385 21.015 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.327 -13.469 21.971 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.679 -11.858 21.736 1.00 0.00 H new ATOM 805 N LYS A 56 10.355 -10.076 20.025 1.00 0.00 N ATOM 806 CA LYS A 56 11.687 -9.636 19.627 1.00 0.00 C ATOM 807 C LYS A 56 12.762 -10.361 20.431 1.00 0.00 C ATOM 808 O LYS A 56 12.606 -10.626 21.623 1.00 0.00 O ATOM 809 CB LYS A 56 11.825 -8.124 19.816 1.00 0.00 C ATOM 810 CG LYS A 56 11.137 -7.602 21.066 1.00 0.00 C ATOM 811 CD LYS A 56 11.541 -6.169 21.367 1.00 0.00 C ATOM 812 CE LYS A 56 10.613 -5.173 20.688 1.00 0.00 C ATOM 813 NZ LYS A 56 9.424 -4.860 21.529 1.00 0.00 N ATOM 0 H LYS A 56 10.151 -9.955 21.017 1.00 0.00 H new ATOM 0 HA LYS A 56 11.822 -9.877 18.573 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.883 -7.867 19.860 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.410 -7.618 18.945 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.056 -7.657 20.937 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.390 -8.238 21.914 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.527 -6.005 22.444 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.565 -6.001 21.032 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.159 -4.254 20.475 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.284 -5.577 19.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.817 -4.178 21.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.888 -5.733 21.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.736 -4.450 22.433 1.00 0.00 H new ATOM 827 N PRO A 57 13.880 -10.687 19.767 1.00 0.00 N ATOM 828 CA PRO A 57 15.003 -11.383 20.401 1.00 0.00 C ATOM 829 C PRO A 57 15.740 -10.501 21.404 1.00 0.00 C ATOM 830 O PRO A 57 15.229 -9.462 21.823 1.00 0.00 O ATOM 831 CB PRO A 57 15.917 -11.730 19.223 1.00 0.00 C ATOM 832 CG PRO A 57 15.597 -10.713 18.183 1.00 0.00 C ATOM 833 CD PRO A 57 14.134 -10.401 18.345 1.00 0.00 C ATOM 0 HA PRO A 57 14.674 -12.251 20.973 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.967 -11.685 19.510 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.729 -12.740 18.860 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.204 -9.817 18.314 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.806 -11.097 17.184 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.915 -9.362 18.099 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.517 -11.020 17.694 1.00 0.00 H new ATOM 841 N ARG A 58 16.941 -10.922 21.785 1.00 0.00 N ATOM 842 CA ARG A 58 17.747 -10.170 22.739 1.00 0.00 C ATOM 843 C ARG A 58 17.875 -8.710 22.312 1.00 0.00 C ATOM 844 O ARG A 58 17.928 -7.811 23.151 1.00 0.00 O ATOM 845 CB ARG A 58 19.136 -10.797 22.872 1.00 0.00 C ATOM 846 CG ARG A 58 19.141 -12.112 23.634 1.00 0.00 C ATOM 847 CD ARG A 58 20.256 -13.029 23.156 1.00 0.00 C ATOM 848 NE ARG A 58 19.860 -13.806 21.984 1.00 0.00 N ATOM 849 CZ ARG A 58 20.620 -14.748 21.437 1.00 0.00 C ATOM 850 NH1 ARG A 58 21.808 -15.029 21.952 1.00 0.00 N ATOM 851 NH2 ARG A 58 20.190 -15.412 20.371 1.00 0.00 N ATOM 0 H ARG A 58 17.378 -11.780 21.448 1.00 0.00 H new ATOM 0 HA ARG A 58 17.246 -10.205 23.706 1.00 0.00 H new ATOM 0 HB2 ARG A 58 19.547 -10.962 21.876 1.00 0.00 H new ATOM 0 HB3 ARG A 58 19.797 -10.092 23.377 1.00 0.00 H new ATOM 0 HG2 ARG A 58 19.261 -11.916 24.699 1.00 0.00 H new ATOM 0 HG3 ARG A 58 18.180 -12.610 23.508 1.00 0.00 H new ATOM 0 HD2 ARG A 58 21.137 -12.434 22.916 1.00 0.00 H new ATOM 0 HD3 ARG A 58 20.539 -13.706 23.962 1.00 0.00 H new ATOM 0 HE ARG A 58 18.951 -13.615 21.563 1.00 0.00 H new ATOM 0 HH11 ARG A 58 22.142 -14.521 22.771 1.00 0.00 H new ATOM 0 HH12 ARG A 58 22.389 -15.753 21.529 1.00 0.00 H new ATOM 0 HH21 ARG A 58 19.276 -15.199 19.972 1.00 0.00 H new ATOM 0 HH22 ARG A 58 20.774 -16.135 19.951 1.00 0.00 H new ATOM 865 N ARG A 59 17.924 -8.484 21.004 1.00 0.00 N ATOM 866 CA ARG A 59 18.047 -7.135 20.466 1.00 0.00 C ATOM 867 C ARG A 59 17.384 -7.033 19.095 1.00 0.00 C ATOM 868 O ARG A 59 17.654 -7.838 18.203 1.00 0.00 O ATOM 869 CB ARG A 59 19.520 -6.736 20.362 1.00 0.00 C ATOM 870 CG ARG A 59 20.065 -6.085 21.623 1.00 0.00 C ATOM 871 CD ARG A 59 19.509 -4.681 21.809 1.00 0.00 C ATOM 872 NE ARG A 59 19.927 -3.780 20.738 1.00 0.00 N ATOM 873 CZ ARG A 59 19.713 -2.470 20.755 1.00 0.00 C ATOM 874 NH1 ARG A 59 19.090 -1.910 21.783 1.00 0.00 N ATOM 875 NH2 ARG A 59 20.124 -1.716 19.744 1.00 0.00 N ATOM 0 H ARG A 59 17.880 -9.218 20.297 1.00 0.00 H new ATOM 0 HA ARG A 59 17.540 -6.452 21.148 1.00 0.00 H new ATOM 0 HB2 ARG A 59 20.113 -7.622 20.136 1.00 0.00 H new ATOM 0 HB3 ARG A 59 19.643 -6.048 19.526 1.00 0.00 H new ATOM 0 HG2 ARG A 59 19.810 -6.696 22.489 1.00 0.00 H new ATOM 0 HG3 ARG A 59 21.153 -6.043 21.571 1.00 0.00 H new ATOM 0 HD2 ARG A 59 18.420 -4.724 21.842 1.00 0.00 H new ATOM 0 HD3 ARG A 59 19.842 -4.283 22.768 1.00 0.00 H new ATOM 0 HE ARG A 59 20.410 -4.179 19.933 1.00 0.00 H new ATOM 0 HH11 ARG A 59 18.774 -2.486 22.563 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.927 -0.903 21.794 1.00 0.00 H new ATOM 0 HH21 ARG A 59 20.605 -2.143 18.952 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.959 -0.710 19.758 1.00 0.00 H new ATOM 889 N CYS A 60 16.515 -6.041 18.936 1.00 0.00 N ATOM 890 CA CYS A 60 15.812 -5.835 17.675 1.00 0.00 C ATOM 891 C CYS A 60 16.789 -5.824 16.503 1.00 0.00 C ATOM 892 O CYS A 60 16.820 -6.756 15.701 1.00 0.00 O ATOM 893 CB CYS A 60 15.027 -4.523 17.712 1.00 0.00 C ATOM 894 SG CYS A 60 13.455 -4.629 18.599 1.00 0.00 S ATOM 0 H CYS A 60 16.280 -5.367 19.665 1.00 0.00 H new ATOM 0 HA CYS A 60 15.116 -6.662 17.537 1.00 0.00 H new ATOM 0 HB2 CYS A 60 15.644 -3.756 18.179 1.00 0.00 H new ATOM 0 HB3 CYS A 60 14.834 -4.198 16.690 1.00 0.00 H new ATOM 0 HG CYS A 60 12.866 -3.470 18.578 1.00 0.00 H new ATOM 900 N GLU A 61 17.583 -4.762 16.412 1.00 0.00 N ATOM 901 CA GLU A 61 18.559 -4.629 15.337 1.00 0.00 C ATOM 902 C GLU A 61 17.900 -4.833 13.976 1.00 0.00 C ATOM 903 O GLU A 61 18.464 -5.477 13.092 1.00 0.00 O ATOM 904 CB GLU A 61 19.695 -5.637 15.522 1.00 0.00 C ATOM 905 CG GLU A 61 20.769 -5.172 16.492 1.00 0.00 C ATOM 906 CD GLU A 61 21.678 -4.116 15.894 1.00 0.00 C ATOM 907 OE1 GLU A 61 21.231 -2.958 15.758 1.00 0.00 O ATOM 908 OE2 GLU A 61 22.835 -4.447 15.563 1.00 0.00 O ATOM 0 H GLU A 61 17.570 -3.982 17.069 1.00 0.00 H new ATOM 0 HA GLU A 61 18.969 -3.620 15.376 1.00 0.00 H new ATOM 0 HB2 GLU A 61 19.279 -6.579 15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 61 20.154 -5.837 14.554 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.295 -4.773 17.389 1.00 0.00 H new ATOM 0 HG3 GLU A 61 21.368 -6.028 16.803 1.00 0.00 H new ATOM 915 N ALA A 62 16.702 -4.280 13.816 1.00 0.00 N ATOM 916 CA ALA A 62 15.967 -4.400 12.563 1.00 0.00 C ATOM 917 C ALA A 62 15.155 -3.140 12.280 1.00 0.00 C ATOM 918 O ALA A 62 14.920 -2.328 13.175 1.00 0.00 O ATOM 919 CB ALA A 62 15.058 -5.619 12.599 1.00 0.00 C ATOM 0 H ALA A 62 16.220 -3.745 14.538 1.00 0.00 H new ATOM 0 HA ALA A 62 16.690 -4.524 11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 62 14.515 -5.696 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.659 -6.517 12.746 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.348 -5.519 13.420 1.00 0.00 H new ATOM 925 N ALA A 63 14.729 -2.984 11.031 1.00 0.00 N ATOM 926 CA ALA A 63 13.943 -1.823 10.632 1.00 0.00 C ATOM 927 C ALA A 63 12.492 -2.210 10.364 1.00 0.00 C ATOM 928 O ALA A 63 12.176 -3.386 10.183 1.00 0.00 O ATOM 929 CB ALA A 63 14.553 -1.170 9.400 1.00 0.00 C ATOM 0 H ALA A 63 14.915 -3.647 10.278 1.00 0.00 H new ATOM 0 HA ALA A 63 13.956 -1.106 11.453 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.956 -0.304 9.113 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.571 -0.850 9.624 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.570 -1.887 8.579 1.00 0.00 H new ATOM 935 N ARG A 64 11.614 -1.212 10.341 1.00 0.00 N ATOM 936 CA ARG A 64 10.196 -1.449 10.097 1.00 0.00 C ATOM 937 C ARG A 64 9.859 -1.260 8.621 1.00 0.00 C ATOM 938 O ARG A 64 10.519 -0.497 7.915 1.00 0.00 O ATOM 939 CB ARG A 64 9.346 -0.505 10.949 1.00 0.00 C ATOM 940 CG ARG A 64 9.262 -0.913 12.411 1.00 0.00 C ATOM 941 CD ARG A 64 8.326 -0.003 13.191 1.00 0.00 C ATOM 942 NE ARG A 64 6.923 -0.274 12.891 1.00 0.00 N ATOM 943 CZ ARG A 64 5.917 0.454 13.362 1.00 0.00 C ATOM 944 NH1 ARG A 64 6.158 1.493 14.150 1.00 0.00 N ATOM 945 NH2 ARG A 64 4.666 0.145 13.044 1.00 0.00 N ATOM 0 H ARG A 64 11.859 -0.233 10.488 1.00 0.00 H new ATOM 0 HA ARG A 64 9.973 -2.479 10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.760 0.501 10.885 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.339 -0.462 10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.913 -1.943 12.483 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.256 -0.882 12.856 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.500 -0.134 14.259 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.553 1.037 12.956 1.00 0.00 H new ATOM 0 HE ARG A 64 6.703 -1.066 12.287 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.118 1.735 14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.383 2.050 14.510 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.476 -0.653 12.437 1.00 0.00 H new ATOM 0 HH22 ARG A 64 3.894 0.705 13.407 1.00 0.00 H new ATOM 959 N LYS A 65 8.829 -1.961 8.160 1.00 0.00 N ATOM 960 CA LYS A 65 8.403 -1.872 6.768 1.00 0.00 C ATOM 961 C LYS A 65 7.025 -1.227 6.662 1.00 0.00 C ATOM 962 O LYS A 65 6.085 -1.631 7.346 1.00 0.00 O ATOM 963 CB LYS A 65 8.378 -3.263 6.131 1.00 0.00 C ATOM 964 CG LYS A 65 8.254 -3.236 4.617 1.00 0.00 C ATOM 965 CD LYS A 65 7.715 -4.550 4.078 1.00 0.00 C ATOM 966 CE LYS A 65 8.769 -5.646 4.124 1.00 0.00 C ATOM 967 NZ LYS A 65 9.899 -5.367 3.195 1.00 0.00 N ATOM 0 H LYS A 65 8.273 -2.598 8.731 1.00 0.00 H new ATOM 0 HA LYS A 65 9.119 -1.248 6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.290 -3.795 6.403 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.543 -3.828 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.593 -2.421 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.229 -3.033 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.846 -4.855 4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.377 -4.412 3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.150 -5.741 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.312 -6.601 3.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.420 -6.247 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.528 -4.987 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.540 -4.671 3.627 1.00 0.00 H new ATOM 981 N VAL A 66 6.911 -0.224 5.797 1.00 0.00 N ATOM 982 CA VAL A 66 5.647 0.475 5.599 1.00 0.00 C ATOM 983 C VAL A 66 5.347 0.659 4.116 1.00 0.00 C ATOM 984 O VAL A 66 6.197 1.119 3.353 1.00 0.00 O ATOM 985 CB VAL A 66 5.654 1.854 6.285 1.00 0.00 C ATOM 986 CG1 VAL A 66 6.579 2.811 5.549 1.00 0.00 C ATOM 987 CG2 VAL A 66 4.243 2.417 6.363 1.00 0.00 C ATOM 0 H VAL A 66 7.679 0.123 5.222 1.00 0.00 H new ATOM 0 HA VAL A 66 4.870 -0.143 6.050 1.00 0.00 H new ATOM 0 HB VAL A 66 6.029 1.734 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.571 3.780 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.593 2.410 5.550 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.237 2.929 4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.267 3.392 6.851 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.838 2.524 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.612 1.739 6.938 1.00 0.00 H new ATOM 997 N ILE A 67 4.134 0.296 3.713 1.00 0.00 N ATOM 998 CA ILE A 67 3.722 0.423 2.321 1.00 0.00 C ATOM 999 C ILE A 67 2.590 1.434 2.172 1.00 0.00 C ATOM 1000 O ILE A 67 1.433 1.135 2.470 1.00 0.00 O ATOM 1001 CB ILE A 67 3.265 -0.930 1.744 1.00 0.00 C ATOM 1002 CG1 ILE A 67 4.358 -1.984 1.931 1.00 0.00 C ATOM 1003 CG2 ILE A 67 2.908 -0.785 0.272 1.00 0.00 C ATOM 1004 CD1 ILE A 67 3.823 -3.393 2.063 1.00 0.00 C ATOM 0 H ILE A 67 3.419 -0.088 4.331 1.00 0.00 H new ATOM 0 HA ILE A 67 4.592 0.771 1.765 1.00 0.00 H new ATOM 0 HB ILE A 67 2.376 -1.256 2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.041 -1.942 1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.939 -1.740 2.821 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.587 -1.750 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.100 -0.062 0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.781 -0.440 -0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.654 -4.087 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.163 -3.452 2.928 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.267 -3.657 1.163 1.00 0.00 H new ATOM 1016 N ARG A 68 2.932 2.632 1.709 1.00 0.00 N ATOM 1017 CA ARG A 68 1.944 3.688 1.520 1.00 0.00 C ATOM 1018 C ARG A 68 0.879 3.262 0.514 1.00 0.00 C ATOM 1019 O ARG A 68 1.192 2.710 -0.541 1.00 0.00 O ATOM 1020 CB ARG A 68 2.625 4.973 1.045 1.00 0.00 C ATOM 1021 CG ARG A 68 3.468 4.789 -0.206 1.00 0.00 C ATOM 1022 CD ARG A 68 4.490 5.905 -0.359 1.00 0.00 C ATOM 1023 NE ARG A 68 5.385 5.989 0.792 1.00 0.00 N ATOM 1024 CZ ARG A 68 6.200 7.013 1.016 1.00 0.00 C ATOM 1025 NH1 ARG A 68 6.233 8.036 0.172 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.985 7.017 2.086 1.00 0.00 N ATOM 0 H ARG A 68 3.885 2.896 1.458 1.00 0.00 H new ATOM 0 HA ARG A 68 1.460 3.874 2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.863 5.728 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.257 5.356 1.846 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.981 3.828 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.820 4.765 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.076 5.738 -1.263 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.972 6.856 -0.486 1.00 0.00 H new ATOM 0 HE ARG A 68 5.384 5.219 1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.631 8.037 -0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.860 8.821 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.963 6.233 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.611 7.804 2.257 1.00 0.00 H new ATOM 1040 N LEU A 69 -0.380 3.523 0.848 1.00 0.00 N ATOM 1041 CA LEU A 69 -1.493 3.167 -0.026 1.00 0.00 C ATOM 1042 C LEU A 69 -1.377 3.875 -1.372 1.00 0.00 C ATOM 1043 O LEU A 69 -2.025 3.490 -2.345 1.00 0.00 O ATOM 1044 CB LEU A 69 -2.823 3.525 0.639 1.00 0.00 C ATOM 1045 CG LEU A 69 -3.150 2.778 1.932 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.382 3.373 2.596 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -3.355 1.296 1.655 1.00 0.00 C ATOM 0 H LEU A 69 -0.656 3.980 1.717 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.458 2.091 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.824 4.594 0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.625 3.341 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.307 2.887 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.599 2.828 3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.198 4.421 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.233 3.296 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.587 0.780 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.180 1.168 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.445 0.877 1.225 1.00 0.00 H new ATOM 1059 N SER A 70 -0.545 4.910 -1.420 1.00 0.00 N ATOM 1060 CA SER A 70 -0.345 5.674 -2.646 1.00 0.00 C ATOM 1061 C SER A 70 0.429 4.855 -3.675 1.00 0.00 C ATOM 1062 O SER A 70 0.179 4.951 -4.877 1.00 0.00 O ATOM 1063 CB SER A 70 0.403 6.974 -2.346 1.00 0.00 C ATOM 1064 OG SER A 70 1.640 6.715 -1.706 1.00 0.00 O ATOM 0 H SER A 70 0.002 5.239 -0.624 1.00 0.00 H new ATOM 0 HA SER A 70 -1.325 5.914 -3.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.577 7.519 -3.274 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.212 7.613 -1.711 1.00 0.00 H new ATOM 0 HG SER A 70 2.099 7.562 -1.527 1.00 0.00 H new ATOM 1070 N ASP A 71 1.370 4.050 -3.195 1.00 0.00 N ATOM 1071 CA ASP A 71 2.181 3.212 -4.071 1.00 0.00 C ATOM 1072 C ASP A 71 1.338 2.107 -4.699 1.00 0.00 C ATOM 1073 O ASP A 71 1.703 1.545 -5.733 1.00 0.00 O ATOM 1074 CB ASP A 71 3.347 2.602 -3.293 1.00 0.00 C ATOM 1075 CG ASP A 71 4.532 2.281 -4.183 1.00 0.00 C ATOM 1076 OD1 ASP A 71 4.836 3.092 -5.082 1.00 0.00 O ATOM 1077 OD2 ASP A 71 5.155 1.217 -3.981 1.00 0.00 O ATOM 0 H ASP A 71 1.590 3.960 -2.203 1.00 0.00 H new ATOM 0 HA ASP A 71 2.577 3.840 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.660 3.294 -2.511 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.012 1.691 -2.797 1.00 0.00 H new ATOM 1082 N CYS A 72 0.210 1.799 -4.068 1.00 0.00 N ATOM 1083 CA CYS A 72 -0.684 0.759 -4.564 1.00 0.00 C ATOM 1084 C CYS A 72 -1.261 1.141 -5.924 1.00 0.00 C ATOM 1085 O CYS A 72 -2.273 1.837 -6.007 1.00 0.00 O ATOM 1086 CB CYS A 72 -1.817 0.514 -3.567 1.00 0.00 C ATOM 1087 SG CYS A 72 -1.295 -0.309 -2.044 1.00 0.00 S ATOM 0 H CYS A 72 -0.107 2.255 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 72 -0.106 -0.158 -4.679 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.275 1.470 -3.312 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.586 -0.090 -4.049 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.322 -0.470 -1.264 1.00 0.00 H new ATOM 1093 N LEU A 73 -0.609 0.682 -6.986 1.00 0.00 N ATOM 1094 CA LEU A 73 -1.056 0.976 -8.344 1.00 0.00 C ATOM 1095 C LEU A 73 -2.502 0.535 -8.549 1.00 0.00 C ATOM 1096 O LEU A 73 -3.288 1.230 -9.193 1.00 0.00 O ATOM 1097 CB LEU A 73 -0.150 0.282 -9.362 1.00 0.00 C ATOM 1098 CG LEU A 73 1.334 0.643 -9.295 1.00 0.00 C ATOM 1099 CD1 LEU A 73 2.177 -0.442 -9.948 1.00 0.00 C ATOM 1100 CD2 LEU A 73 1.586 1.988 -9.960 1.00 0.00 C ATOM 0 H LEU A 73 0.231 0.105 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.000 2.054 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.248 -0.796 -9.230 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.515 0.515 -10.362 1.00 0.00 H new ATOM 0 HG LEU A 73 1.623 0.718 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.230 -0.168 -9.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.019 -1.387 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.886 -0.549 -10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.648 2.229 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.280 1.940 -11.005 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.011 2.760 -9.449 1.00 0.00 H new ATOM 1112 N ARG A 74 -2.846 -0.622 -7.994 1.00 0.00 N ATOM 1113 CA ARG A 74 -4.198 -1.155 -8.115 1.00 0.00 C ATOM 1114 C ARG A 74 -4.394 -2.354 -7.192 1.00 0.00 C ATOM 1115 O ARG A 74 -3.430 -3.003 -6.785 1.00 0.00 O ATOM 1116 CB ARG A 74 -4.481 -1.561 -9.563 1.00 0.00 C ATOM 1117 CG ARG A 74 -5.948 -1.462 -9.947 1.00 0.00 C ATOM 1118 CD ARG A 74 -6.292 -0.082 -10.484 1.00 0.00 C ATOM 1119 NE ARG A 74 -7.642 -0.030 -11.037 1.00 0.00 N ATOM 1120 CZ ARG A 74 -8.741 0.007 -10.291 1.00 0.00 C ATOM 1121 NH1 ARG A 74 -8.649 -0.002 -8.968 1.00 0.00 N ATOM 1122 NH2 ARG A 74 -9.935 0.054 -10.868 1.00 0.00 N ATOM 0 H ARG A 74 -2.208 -1.208 -7.456 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.898 -0.373 -7.820 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.896 -0.928 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.142 -2.585 -9.717 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.179 -2.215 -10.701 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.568 -1.680 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.200 0.652 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.574 0.196 -11.255 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.747 -0.022 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.733 -0.037 -8.521 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.494 0.026 -8.398 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.010 0.062 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.778 0.082 -10.294 1.00 0.00 H new ATOM 1136 N VAL A 75 -5.650 -2.642 -6.864 1.00 0.00 N ATOM 1137 CA VAL A 75 -5.973 -3.763 -5.989 1.00 0.00 C ATOM 1138 C VAL A 75 -7.247 -4.466 -6.444 1.00 0.00 C ATOM 1139 O VAL A 75 -7.968 -3.968 -7.309 1.00 0.00 O ATOM 1140 CB VAL A 75 -6.147 -3.304 -4.529 1.00 0.00 C ATOM 1141 CG1 VAL A 75 -4.972 -2.440 -4.097 1.00 0.00 C ATOM 1142 CG2 VAL A 75 -7.461 -2.555 -4.360 1.00 0.00 C ATOM 0 H VAL A 75 -6.460 -2.115 -7.191 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.137 -4.460 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.173 -4.186 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.113 -2.125 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.049 -3.014 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.911 -1.561 -4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.568 -2.238 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.467 -1.680 -5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.290 -3.210 -4.626 1.00 0.00 H new ATOM 1152 N ALA A 76 -7.519 -5.626 -5.856 1.00 0.00 N ATOM 1153 CA ALA A 76 -8.708 -6.396 -6.199 1.00 0.00 C ATOM 1154 C ALA A 76 -8.976 -7.483 -5.163 1.00 0.00 C ATOM 1155 O ALA A 76 -8.169 -7.705 -4.261 1.00 0.00 O ATOM 1156 CB ALA A 76 -8.558 -7.010 -7.583 1.00 0.00 C ATOM 0 H ALA A 76 -6.932 -6.053 -5.140 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.561 -5.717 -6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.453 -7.582 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.422 -6.218 -8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.691 -7.670 -7.596 1.00 0.00 H new ATOM 1162 N GLU A 77 -10.115 -8.155 -5.298 1.00 0.00 N ATOM 1163 CA GLU A 77 -10.489 -9.217 -4.372 1.00 0.00 C ATOM 1164 C GLU A 77 -10.238 -10.590 -4.988 1.00 0.00 C ATOM 1165 O GLU A 77 -10.674 -10.871 -6.103 1.00 0.00 O ATOM 1166 CB GLU A 77 -11.962 -9.085 -3.977 1.00 0.00 C ATOM 1167 CG GLU A 77 -12.296 -7.762 -3.309 1.00 0.00 C ATOM 1168 CD GLU A 77 -13.757 -7.383 -3.464 1.00 0.00 C ATOM 1169 OE1 GLU A 77 -14.610 -8.033 -2.824 1.00 0.00 O ATOM 1170 OE2 GLU A 77 -14.046 -6.436 -4.225 1.00 0.00 O ATOM 0 H GLU A 77 -10.794 -7.983 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.871 -9.120 -3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.580 -9.199 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.223 -9.900 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.051 -7.822 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.673 -6.976 -3.736 1.00 0.00 H new ATOM 1177 N ALA A 78 -9.530 -11.442 -4.252 1.00 0.00 N ATOM 1178 CA ALA A 78 -9.221 -12.785 -4.725 1.00 0.00 C ATOM 1179 C ALA A 78 -9.971 -13.838 -3.916 1.00 0.00 C ATOM 1180 O ALA A 78 -9.652 -14.086 -2.754 1.00 0.00 O ATOM 1181 CB ALA A 78 -7.722 -13.036 -4.659 1.00 0.00 C ATOM 0 H ALA A 78 -9.160 -11.225 -3.326 1.00 0.00 H new ATOM 0 HA ALA A 78 -9.546 -12.862 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.506 -14.043 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.204 -12.310 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.381 -12.935 -3.629 1.00 0.00 H new ATOM 1187 N GLY A 79 -10.972 -14.454 -4.538 1.00 0.00 N ATOM 1188 CA GLY A 79 -11.753 -15.472 -3.860 1.00 0.00 C ATOM 1189 C GLY A 79 -10.884 -16.508 -3.174 1.00 0.00 C ATOM 1190 O GLY A 79 -9.659 -16.469 -3.280 1.00 0.00 O ATOM 0 H GLY A 79 -11.256 -14.266 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.399 -14.998 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.403 -15.967 -4.581 1.00 0.00 H new ATOM 1194 N GLY A 80 -11.520 -17.438 -2.468 1.00 0.00 N ATOM 1195 CA GLY A 80 -10.782 -18.475 -1.771 1.00 0.00 C ATOM 1196 C GLY A 80 -10.267 -19.549 -2.709 1.00 0.00 C ATOM 1197 O GLY A 80 -10.625 -20.719 -2.578 1.00 0.00 O ATOM 0 H GLY A 80 -12.534 -17.492 -2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.942 -18.026 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.425 -18.932 -1.019 1.00 0.00 H new ATOM 1201 N GLU A 81 -9.425 -19.150 -3.658 1.00 0.00 N ATOM 1202 CA GLU A 81 -8.863 -20.089 -4.622 1.00 0.00 C ATOM 1203 C GLU A 81 -7.354 -19.897 -4.751 1.00 0.00 C ATOM 1204 O GLU A 81 -6.804 -19.942 -5.851 1.00 0.00 O ATOM 1205 CB GLU A 81 -9.529 -19.911 -5.988 1.00 0.00 C ATOM 1206 CG GLU A 81 -10.949 -20.450 -6.047 1.00 0.00 C ATOM 1207 CD GLU A 81 -11.964 -19.483 -5.469 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -12.332 -18.519 -6.171 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -12.390 -19.691 -4.314 1.00 0.00 O ATOM 0 H GLU A 81 -9.118 -18.185 -3.780 1.00 0.00 H new ATOM 0 HA GLU A 81 -9.054 -21.100 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.541 -18.851 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.927 -20.413 -6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.209 -20.667 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.999 -21.392 -5.502 1.00 0.00 H new ATOM 1216 N ALA A 82 -6.692 -19.683 -3.619 1.00 0.00 N ATOM 1217 CA ALA A 82 -5.248 -19.486 -3.605 1.00 0.00 C ATOM 1218 C ALA A 82 -4.613 -20.167 -2.397 1.00 0.00 C ATOM 1219 O ALA A 82 -5.311 -20.687 -1.527 1.00 0.00 O ATOM 1220 CB ALA A 82 -4.918 -18.000 -3.610 1.00 0.00 C ATOM 0 H ALA A 82 -7.133 -19.642 -2.700 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.835 -19.942 -4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.836 -17.868 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.331 -17.539 -4.507 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.350 -17.528 -2.727 1.00 0.00 H new ATOM 1226 N SER A 83 -3.284 -20.161 -2.351 1.00 0.00 N ATOM 1227 CA SER A 83 -2.555 -20.782 -1.252 1.00 0.00 C ATOM 1228 C SER A 83 -3.258 -20.530 0.078 1.00 0.00 C ATOM 1229 O SER A 83 -3.177 -21.342 1.000 1.00 0.00 O ATOM 1230 CB SER A 83 -1.123 -20.246 -1.194 1.00 0.00 C ATOM 1231 OG SER A 83 -0.282 -21.117 -0.458 1.00 0.00 O ATOM 0 H SER A 83 -2.691 -19.733 -3.062 1.00 0.00 H new ATOM 0 HA SER A 83 -2.526 -21.857 -1.430 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.734 -20.129 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 83 -1.120 -19.258 -0.734 1.00 0.00 H new ATOM 0 HG SER A 83 0.628 -20.753 -0.437 1.00 0.00 H new ATOM 1237 N SER A 84 -3.949 -19.398 0.170 1.00 0.00 N ATOM 1238 CA SER A 84 -4.664 -19.036 1.388 1.00 0.00 C ATOM 1239 C SER A 84 -5.435 -20.231 1.942 1.00 0.00 C ATOM 1240 O SER A 84 -5.922 -21.085 1.201 1.00 0.00 O ATOM 1241 CB SER A 84 -5.625 -17.877 1.115 1.00 0.00 C ATOM 1242 OG SER A 84 -6.735 -18.306 0.345 1.00 0.00 O ATOM 0 H SER A 84 -4.029 -18.716 -0.584 1.00 0.00 H new ATOM 0 HA SER A 84 -3.930 -18.723 2.131 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.973 -17.459 2.059 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.099 -17.081 0.589 1.00 0.00 H new ATOM 0 HG SER A 84 -6.458 -19.031 -0.253 1.00 0.00 H new ATOM 1248 N PRO A 85 -5.548 -20.293 3.277 1.00 0.00 N ATOM 1249 CA PRO A 85 -6.258 -21.378 3.961 1.00 0.00 C ATOM 1250 C PRO A 85 -7.765 -21.315 3.737 1.00 0.00 C ATOM 1251 O PRO A 85 -8.240 -20.629 2.832 1.00 0.00 O ATOM 1252 CB PRO A 85 -5.927 -21.144 5.436 1.00 0.00 C ATOM 1253 CG PRO A 85 -5.627 -19.688 5.531 1.00 0.00 C ATOM 1254 CD PRO A 85 -4.993 -19.309 4.221 1.00 0.00 C ATOM 0 HA PRO A 85 -5.956 -22.359 3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.764 -21.418 6.078 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -5.074 -21.745 5.750 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -6.536 -19.113 5.705 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.955 -19.482 6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -5.245 -18.289 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.906 -19.367 4.269 1.00 0.00 H new ATOM 1262 N ARG A 86 -8.513 -22.036 4.567 1.00 0.00 N ATOM 1263 CA ARG A 86 -9.966 -22.062 4.459 1.00 0.00 C ATOM 1264 C ARG A 86 -10.599 -21.026 5.383 1.00 0.00 C ATOM 1265 O ARG A 86 -9.958 -20.533 6.312 1.00 0.00 O ATOM 1266 CB ARG A 86 -10.499 -23.456 4.798 1.00 0.00 C ATOM 1267 CG ARG A 86 -11.902 -23.715 4.276 1.00 0.00 C ATOM 1268 CD ARG A 86 -12.327 -25.156 4.511 1.00 0.00 C ATOM 1269 NE ARG A 86 -11.403 -26.106 3.896 1.00 0.00 N ATOM 1270 CZ ARG A 86 -11.318 -27.383 4.251 1.00 0.00 C ATOM 1271 NH1 ARG A 86 -12.096 -27.861 5.213 1.00 0.00 N ATOM 1272 NH2 ARG A 86 -10.452 -28.185 3.644 1.00 0.00 N ATOM 0 H ARG A 86 -8.136 -22.610 5.321 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.233 -21.818 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.823 -24.205 4.385 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -10.494 -23.584 5.880 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.604 -23.043 4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.942 -23.492 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.384 -25.347 5.583 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.327 -25.310 4.107 1.00 0.00 H new ATOM 0 HE ARG A 86 -10.790 -25.770 3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.762 -27.247 5.682 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.028 -28.842 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.851 -27.821 2.904 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.387 -29.166 3.917 1.00 0.00 H new ATOM 1286 N ASP A 87 -11.860 -20.700 5.122 1.00 0.00 N ATOM 1287 CA ASP A 87 -12.580 -19.723 5.930 1.00 0.00 C ATOM 1288 C ASP A 87 -11.873 -18.372 5.908 1.00 0.00 C ATOM 1289 O ASP A 87 -11.756 -17.702 6.935 1.00 0.00 O ATOM 1290 CB ASP A 87 -12.713 -20.219 7.371 1.00 0.00 C ATOM 1291 CG ASP A 87 -13.452 -21.539 7.463 1.00 0.00 C ATOM 1292 OD1 ASP A 87 -14.480 -21.694 6.771 1.00 0.00 O ATOM 1293 OD2 ASP A 87 -13.002 -22.419 8.227 1.00 0.00 O ATOM 0 H ASP A 87 -12.405 -21.098 4.357 1.00 0.00 H new ATOM 0 HA ASP A 87 -13.575 -19.599 5.503 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.720 -20.331 7.807 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -13.239 -19.470 7.963 1.00 0.00 H new ATOM 1298 N THR A 88 -11.401 -17.976 4.730 1.00 0.00 N ATOM 1299 CA THR A 88 -10.702 -16.706 4.573 1.00 0.00 C ATOM 1300 C THR A 88 -10.918 -16.129 3.179 1.00 0.00 C ATOM 1301 O THR A 88 -11.599 -16.728 2.347 1.00 0.00 O ATOM 1302 CB THR A 88 -9.191 -16.862 4.824 1.00 0.00 C ATOM 1303 OG1 THR A 88 -8.663 -17.910 4.004 1.00 0.00 O ATOM 1304 CG2 THR A 88 -8.914 -17.168 6.288 1.00 0.00 C ATOM 0 H THR A 88 -11.490 -18.517 3.870 1.00 0.00 H new ATOM 0 HA THR A 88 -11.117 -16.023 5.314 1.00 0.00 H new ATOM 0 HB THR A 88 -8.704 -15.921 4.568 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.701 -18.001 4.169 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.840 -17.274 6.441 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.290 -16.354 6.907 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.413 -18.096 6.567 1.00 0.00 H new ATOM 1312 N SER A 89 -10.333 -14.962 2.930 1.00 0.00 N ATOM 1313 CA SER A 89 -10.463 -14.301 1.637 1.00 0.00 C ATOM 1314 C SER A 89 -9.222 -13.471 1.323 1.00 0.00 C ATOM 1315 O SER A 89 -9.000 -12.417 1.918 1.00 0.00 O ATOM 1316 CB SER A 89 -11.706 -13.409 1.619 1.00 0.00 C ATOM 1317 OG SER A 89 -12.891 -14.185 1.578 1.00 0.00 O ATOM 0 H SER A 89 -9.764 -14.454 3.607 1.00 0.00 H new ATOM 0 HA SER A 89 -10.566 -15.071 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.714 -12.774 2.505 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.670 -12.748 0.753 1.00 0.00 H new ATOM 0 HG SER A 89 -12.664 -15.134 1.669 1.00 0.00 H new ATOM 1323 N ALA A 90 -8.417 -13.954 0.383 1.00 0.00 N ATOM 1324 CA ALA A 90 -7.199 -13.257 -0.013 1.00 0.00 C ATOM 1325 C ALA A 90 -7.510 -12.107 -0.965 1.00 0.00 C ATOM 1326 O ALA A 90 -8.514 -12.132 -1.677 1.00 0.00 O ATOM 1327 CB ALA A 90 -6.220 -14.228 -0.656 1.00 0.00 C ATOM 0 H ALA A 90 -8.586 -14.826 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.741 -12.838 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.315 -13.694 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.965 -15.013 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.677 -14.674 -1.539 1.00 0.00 H new ATOM 1333 N PHE A 91 -6.643 -11.100 -0.972 1.00 0.00 N ATOM 1334 CA PHE A 91 -6.826 -9.940 -1.836 1.00 0.00 C ATOM 1335 C PHE A 91 -5.561 -9.657 -2.642 1.00 0.00 C ATOM 1336 O PHE A 91 -4.508 -10.246 -2.394 1.00 0.00 O ATOM 1337 CB PHE A 91 -7.199 -8.712 -1.004 1.00 0.00 C ATOM 1338 CG PHE A 91 -6.125 -8.290 -0.043 1.00 0.00 C ATOM 1339 CD1 PHE A 91 -5.998 -8.909 1.190 1.00 0.00 C ATOM 1340 CD2 PHE A 91 -5.242 -7.274 -0.372 1.00 0.00 C ATOM 1341 CE1 PHE A 91 -5.011 -8.522 2.077 1.00 0.00 C ATOM 1342 CE2 PHE A 91 -4.253 -6.883 0.510 1.00 0.00 C ATOM 1343 CZ PHE A 91 -4.136 -7.509 1.736 1.00 0.00 C ATOM 0 H PHE A 91 -5.807 -11.064 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 91 -7.637 -10.160 -2.531 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.421 -7.882 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.111 -8.924 -0.446 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.678 -9.703 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.328 -6.782 -1.329 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.924 -9.011 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.572 -6.089 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.362 -7.207 2.426 1.00 0.00 H new ATOM 1353 N PHE A 92 -5.673 -8.752 -3.609 1.00 0.00 N ATOM 1354 CA PHE A 92 -4.540 -8.391 -4.453 1.00 0.00 C ATOM 1355 C PHE A 92 -3.949 -7.051 -4.026 1.00 0.00 C ATOM 1356 O PHE A 92 -4.617 -6.242 -3.381 1.00 0.00 O ATOM 1357 CB PHE A 92 -4.969 -8.328 -5.920 1.00 0.00 C ATOM 1358 CG PHE A 92 -4.951 -9.663 -6.608 1.00 0.00 C ATOM 1359 CD1 PHE A 92 -3.750 -10.263 -6.954 1.00 0.00 C ATOM 1360 CD2 PHE A 92 -6.133 -10.319 -6.908 1.00 0.00 C ATOM 1361 CE1 PHE A 92 -3.730 -11.491 -7.587 1.00 0.00 C ATOM 1362 CE2 PHE A 92 -6.120 -11.548 -7.542 1.00 0.00 C ATOM 1363 CZ PHE A 92 -4.916 -12.135 -7.881 1.00 0.00 C ATOM 0 H PHE A 92 -6.537 -8.255 -3.827 1.00 0.00 H new ATOM 0 HA PHE A 92 -3.775 -9.159 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.975 -7.912 -5.979 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.309 -7.644 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.819 -9.765 -6.726 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.077 -9.865 -6.644 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -2.788 -11.947 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.049 -12.048 -7.772 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.902 -13.095 -8.375 1.00 0.00 H new ATOM 1373 N LEU A 93 -2.692 -6.823 -4.390 1.00 0.00 N ATOM 1374 CA LEU A 93 -2.008 -5.581 -4.045 1.00 0.00 C ATOM 1375 C LEU A 93 -0.828 -5.332 -4.978 1.00 0.00 C ATOM 1376 O LEU A 93 0.211 -5.982 -4.866 1.00 0.00 O ATOM 1377 CB LEU A 93 -1.526 -5.627 -2.594 1.00 0.00 C ATOM 1378 CG LEU A 93 -1.290 -4.274 -1.922 1.00 0.00 C ATOM 1379 CD1 LEU A 93 -0.651 -4.461 -0.555 1.00 0.00 C ATOM 1380 CD2 LEU A 93 -0.421 -3.386 -2.802 1.00 0.00 C ATOM 0 H LEU A 93 -2.125 -7.482 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.717 -4.761 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.259 -6.179 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.596 -6.195 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.254 -3.785 -1.785 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.491 -3.487 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.309 -5.059 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.306 -4.971 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.263 -2.427 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.541 -3.870 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.918 -3.224 -3.759 1.00 0.00 H new ATOM 1392 N GLU A 94 -0.995 -4.385 -5.896 1.00 0.00 N ATOM 1393 CA GLU A 94 0.058 -4.049 -6.847 1.00 0.00 C ATOM 1394 C GLU A 94 0.684 -2.698 -6.512 1.00 0.00 C ATOM 1395 O GLU A 94 -0.020 -1.710 -6.300 1.00 0.00 O ATOM 1396 CB GLU A 94 -0.499 -4.026 -8.272 1.00 0.00 C ATOM 1397 CG GLU A 94 0.539 -4.339 -9.336 1.00 0.00 C ATOM 1398 CD GLU A 94 -0.043 -4.339 -10.737 1.00 0.00 C ATOM 1399 OE1 GLU A 94 -1.082 -4.997 -10.948 1.00 0.00 O ATOM 1400 OE2 GLU A 94 0.542 -3.679 -11.621 1.00 0.00 O ATOM 0 H GLU A 94 -1.849 -3.837 -6.001 1.00 0.00 H new ATOM 0 HA GLU A 94 0.831 -4.815 -6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.313 -4.747 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -0.926 -3.043 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.343 -3.605 -9.281 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.982 -5.314 -9.131 1.00 0.00 H new ATOM 1407 N THR A 95 2.012 -2.663 -6.465 1.00 0.00 N ATOM 1408 CA THR A 95 2.733 -1.435 -6.154 1.00 0.00 C ATOM 1409 C THR A 95 3.889 -1.216 -7.123 1.00 0.00 C ATOM 1410 O THR A 95 4.345 -2.150 -7.784 1.00 0.00 O ATOM 1411 CB THR A 95 3.282 -1.455 -4.715 1.00 0.00 C ATOM 1412 OG1 THR A 95 4.351 -2.401 -4.611 1.00 0.00 O ATOM 1413 CG2 THR A 95 2.185 -1.810 -3.723 1.00 0.00 C ATOM 0 H THR A 95 2.610 -3.471 -6.638 1.00 0.00 H new ATOM 0 HA THR A 95 2.020 -0.617 -6.252 1.00 0.00 H new ATOM 0 HB THR A 95 3.656 -0.459 -4.478 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.131 -3.201 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.596 -1.818 -2.713 1.00 0.00 H new ATOM 0 HG22 THR A 95 1.386 -1.071 -3.784 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.785 -2.796 -3.960 1.00 0.00 H new ATOM 1421 N LYS A 96 4.361 0.023 -7.204 1.00 0.00 N ATOM 1422 CA LYS A 96 5.466 0.366 -8.091 1.00 0.00 C ATOM 1423 C LYS A 96 6.612 -0.631 -7.943 1.00 0.00 C ATOM 1424 O LYS A 96 7.238 -1.021 -8.928 1.00 0.00 O ATOM 1425 CB LYS A 96 5.967 1.781 -7.793 1.00 0.00 C ATOM 1426 CG LYS A 96 4.989 2.870 -8.201 1.00 0.00 C ATOM 1427 CD LYS A 96 5.708 4.164 -8.545 1.00 0.00 C ATOM 1428 CE LYS A 96 6.078 4.221 -10.019 1.00 0.00 C ATOM 1429 NZ LYS A 96 4.906 4.566 -10.872 1.00 0.00 N ATOM 0 H LYS A 96 3.995 0.808 -6.665 1.00 0.00 H new ATOM 0 HA LYS A 96 5.101 0.325 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.171 1.868 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.912 1.940 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.408 2.536 -9.061 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.283 3.049 -7.390 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.071 5.013 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.609 4.253 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.865 4.960 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 96 6.482 3.258 -10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.199 4.595 -11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.164 3.847 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.536 5.497 -10.593 1.00 0.00 H new ATOM 1443 N GLU A 97 6.878 -1.040 -6.707 1.00 0.00 N ATOM 1444 CA GLU A 97 7.948 -1.992 -6.432 1.00 0.00 C ATOM 1445 C GLU A 97 7.660 -3.339 -7.089 1.00 0.00 C ATOM 1446 O GLU A 97 8.410 -3.794 -7.953 1.00 0.00 O ATOM 1447 CB GLU A 97 8.123 -2.176 -4.923 1.00 0.00 C ATOM 1448 CG GLU A 97 9.280 -3.087 -4.550 1.00 0.00 C ATOM 1449 CD GLU A 97 9.766 -2.863 -3.131 1.00 0.00 C ATOM 1450 OE1 GLU A 97 10.242 -1.747 -2.836 1.00 0.00 O ATOM 1451 OE2 GLU A 97 9.669 -3.805 -2.317 1.00 0.00 O ATOM 0 H GLU A 97 6.368 -0.728 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 97 8.871 -1.592 -6.851 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.277 -1.200 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.202 -2.584 -4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.971 -4.126 -4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 97 10.105 -2.922 -5.243 1.00 0.00 H new ATOM 1458 N ARG A 98 6.568 -3.972 -6.672 1.00 0.00 N ATOM 1459 CA ARG A 98 6.181 -5.268 -7.218 1.00 0.00 C ATOM 1460 C ARG A 98 4.796 -5.675 -6.723 1.00 0.00 C ATOM 1461 O ARG A 98 4.139 -4.925 -5.999 1.00 0.00 O ATOM 1462 CB ARG A 98 7.207 -6.335 -6.832 1.00 0.00 C ATOM 1463 CG ARG A 98 7.111 -6.775 -5.380 1.00 0.00 C ATOM 1464 CD ARG A 98 7.839 -8.089 -5.147 1.00 0.00 C ATOM 1465 NE ARG A 98 9.286 -7.909 -5.079 1.00 0.00 N ATOM 1466 CZ ARG A 98 10.131 -8.871 -4.723 1.00 0.00 C ATOM 1467 NH1 ARG A 98 9.674 -10.074 -4.405 1.00 0.00 N ATOM 1468 NH2 ARG A 98 11.435 -8.629 -4.686 1.00 0.00 N ATOM 0 H ARG A 98 5.936 -3.609 -5.958 1.00 0.00 H new ATOM 0 HA ARG A 98 6.148 -5.182 -8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 98 7.074 -7.204 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.209 -5.949 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.535 -6.004 -4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 98 6.063 -6.884 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 98 7.486 -8.539 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 98 7.598 -8.784 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 98 9.670 -6.995 -5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.672 -10.263 -4.433 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.324 -10.811 -4.132 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.789 -7.704 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.083 -9.368 -4.413 1.00 0.00 H new ATOM 1482 N LEU A 99 4.359 -6.865 -7.117 1.00 0.00 N ATOM 1483 CA LEU A 99 3.052 -7.372 -6.714 1.00 0.00 C ATOM 1484 C LEU A 99 3.150 -8.150 -5.405 1.00 0.00 C ATOM 1485 O LEU A 99 4.077 -8.934 -5.205 1.00 0.00 O ATOM 1486 CB LEU A 99 2.470 -8.267 -7.810 1.00 0.00 C ATOM 1487 CG LEU A 99 1.040 -8.761 -7.584 1.00 0.00 C ATOM 1488 CD1 LEU A 99 0.058 -7.601 -7.653 1.00 0.00 C ATOM 1489 CD2 LEU A 99 0.678 -9.830 -8.605 1.00 0.00 C ATOM 0 H LEU A 99 4.890 -7.497 -7.715 1.00 0.00 H new ATOM 0 HA LEU A 99 2.390 -6.519 -6.560 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.499 -7.720 -8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.119 -9.135 -7.925 1.00 0.00 H new ATOM 0 HG LEU A 99 0.981 -9.202 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -0.954 -7.971 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.305 -6.869 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.119 -7.131 -8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.343 -10.170 -8.429 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.754 -9.414 -9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.363 -10.672 -8.508 1.00 0.00 H new ATOM 1501 N TYR A 100 2.186 -7.929 -4.519 1.00 0.00 N ATOM 1502 CA TYR A 100 2.163 -8.609 -3.229 1.00 0.00 C ATOM 1503 C TYR A 100 0.826 -9.308 -3.005 1.00 0.00 C ATOM 1504 O TYR A 100 -0.233 -8.680 -3.051 1.00 0.00 O ATOM 1505 CB TYR A 100 2.425 -7.612 -2.099 1.00 0.00 C ATOM 1506 CG TYR A 100 3.803 -6.992 -2.146 1.00 0.00 C ATOM 1507 CD1 TYR A 100 4.924 -7.709 -1.746 1.00 0.00 C ATOM 1508 CD2 TYR A 100 3.984 -5.688 -2.592 1.00 0.00 C ATOM 1509 CE1 TYR A 100 6.184 -7.145 -1.787 1.00 0.00 C ATOM 1510 CE2 TYR A 100 5.242 -5.117 -2.637 1.00 0.00 C ATOM 1511 CZ TYR A 100 6.338 -5.849 -2.233 1.00 0.00 C ATOM 1512 OH TYR A 100 7.593 -5.285 -2.277 1.00 0.00 O ATOM 0 H TYR A 100 1.410 -7.284 -4.670 1.00 0.00 H new ATOM 0 HA TYR A 100 2.951 -9.363 -3.230 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.678 -6.820 -2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.296 -8.118 -1.142 1.00 0.00 H new ATOM 0 HD1 TYR A 100 4.808 -8.725 -1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.127 -5.111 -2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.045 -7.716 -1.471 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.366 -4.103 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 100 7.512 -4.309 -2.301 1.00 0.00 H new ATOM 1522 N LEU A 101 0.882 -10.613 -2.762 1.00 0.00 N ATOM 1523 CA LEU A 101 -0.324 -11.401 -2.530 1.00 0.00 C ATOM 1524 C LEU A 101 -0.487 -11.722 -1.048 1.00 0.00 C ATOM 1525 O LEU A 101 0.120 -12.663 -0.535 1.00 0.00 O ATOM 1526 CB LEU A 101 -0.275 -12.696 -3.342 1.00 0.00 C ATOM 1527 CG LEU A 101 -1.497 -13.608 -3.225 1.00 0.00 C ATOM 1528 CD1 LEU A 101 -2.702 -12.975 -3.903 1.00 0.00 C ATOM 1529 CD2 LEU A 101 -1.202 -14.975 -3.826 1.00 0.00 C ATOM 0 H LEU A 101 1.749 -11.148 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.182 -10.811 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.138 -12.438 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.606 -13.261 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.728 -13.740 -2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.562 -13.638 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.927 -12.020 -3.428 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.482 -12.812 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.083 -15.611 -3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.945 -14.862 -4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.367 -15.433 -3.296 1.00 0.00 H new ATOM 1541 N LEU A 102 -1.314 -10.937 -0.365 1.00 0.00 N ATOM 1542 CA LEU A 102 -1.560 -11.139 1.058 1.00 0.00 C ATOM 1543 C LEU A 102 -2.924 -11.780 1.290 1.00 0.00 C ATOM 1544 O LEU A 102 -3.812 -11.697 0.441 1.00 0.00 O ATOM 1545 CB LEU A 102 -1.476 -9.807 1.805 1.00 0.00 C ATOM 1546 CG LEU A 102 -0.091 -9.163 1.876 1.00 0.00 C ATOM 1547 CD1 LEU A 102 0.140 -8.257 0.677 1.00 0.00 C ATOM 1548 CD2 LEU A 102 0.069 -8.385 3.174 1.00 0.00 C ATOM 0 H LEU A 102 -1.825 -10.155 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.793 -11.812 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.158 -9.103 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.836 -9.961 2.822 1.00 0.00 H new ATOM 0 HG LEU A 102 0.658 -9.955 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 102 1.131 -7.808 0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.069 -8.842 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.615 -7.471 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.060 -7.933 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.688 -7.602 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.051 -9.061 4.021 1.00 0.00 H new ATOM 1560 N ALA A 103 -3.085 -12.417 2.445 1.00 0.00 N ATOM 1561 CA ALA A 103 -4.343 -13.068 2.790 1.00 0.00 C ATOM 1562 C ALA A 103 -5.023 -12.364 3.960 1.00 0.00 C ATOM 1563 O ALA A 103 -4.359 -11.890 4.881 1.00 0.00 O ATOM 1564 CB ALA A 103 -4.106 -14.534 3.118 1.00 0.00 C ATOM 0 H ALA A 103 -2.360 -12.496 3.158 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.006 -13.003 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.054 -15.007 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.672 -15.035 2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.422 -14.612 3.963 1.00 0.00 H new ATOM 1570 N ALA A 104 -6.349 -12.300 3.916 1.00 0.00 N ATOM 1571 CA ALA A 104 -7.118 -11.655 4.973 1.00 0.00 C ATOM 1572 C ALA A 104 -8.378 -12.451 5.299 1.00 0.00 C ATOM 1573 O ALA A 104 -8.975 -13.095 4.436 1.00 0.00 O ATOM 1574 CB ALA A 104 -7.479 -10.233 4.572 1.00 0.00 C ATOM 0 H ALA A 104 -6.913 -12.687 3.160 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.499 -11.621 5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -8.053 -9.764 5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.567 -9.662 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.076 -10.252 3.660 1.00 0.00 H new ATOM 1580 N PRO A 105 -8.793 -12.407 6.573 1.00 0.00 N ATOM 1581 CA PRO A 105 -9.986 -13.119 7.042 1.00 0.00 C ATOM 1582 C PRO A 105 -11.275 -12.510 6.499 1.00 0.00 C ATOM 1583 O PRO A 105 -11.556 -11.332 6.716 1.00 0.00 O ATOM 1584 CB PRO A 105 -9.920 -12.960 8.563 1.00 0.00 C ATOM 1585 CG PRO A 105 -9.128 -11.717 8.779 1.00 0.00 C ATOM 1586 CD PRO A 105 -8.130 -11.660 7.655 1.00 0.00 C ATOM 0 HA PRO A 105 -9.998 -14.157 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.917 -12.875 8.996 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.442 -13.821 9.031 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -9.772 -10.838 8.773 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.626 -11.738 9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.914 -10.633 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.181 -12.117 7.936 1.00 0.00 H new ATOM 1594 N ALA A 106 -12.055 -13.322 5.792 1.00 0.00 N ATOM 1595 CA ALA A 106 -13.315 -12.864 5.220 1.00 0.00 C ATOM 1596 C ALA A 106 -13.991 -11.843 6.129 1.00 0.00 C ATOM 1597 O ALA A 106 -14.671 -10.932 5.657 1.00 0.00 O ATOM 1598 CB ALA A 106 -14.240 -14.045 4.968 1.00 0.00 C ATOM 0 H ALA A 106 -11.836 -14.300 5.602 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.099 -12.377 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -15.177 -13.688 4.541 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.765 -14.738 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -14.442 -14.556 5.909 1.00 0.00 H new ATOM 1604 N ALA A 107 -13.801 -12.003 7.435 1.00 0.00 N ATOM 1605 CA ALA A 107 -14.393 -11.095 8.409 1.00 0.00 C ATOM 1606 C ALA A 107 -13.914 -9.664 8.188 1.00 0.00 C ATOM 1607 O ALA A 107 -14.717 -8.734 8.131 1.00 0.00 O ATOM 1608 CB ALA A 107 -14.063 -11.551 9.823 1.00 0.00 C ATOM 0 H ALA A 107 -13.242 -12.753 7.842 1.00 0.00 H new ATOM 0 HA ALA A 107 -15.475 -11.113 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.511 -10.864 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.460 -12.553 9.984 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.982 -11.563 9.958 1.00 0.00 H new ATOM 1614 N GLU A 108 -12.601 -9.497 8.064 1.00 0.00 N ATOM 1615 CA GLU A 108 -12.016 -8.179 7.850 1.00 0.00 C ATOM 1616 C GLU A 108 -11.929 -7.857 6.361 1.00 0.00 C ATOM 1617 O GLU A 108 -12.224 -6.739 5.938 1.00 0.00 O ATOM 1618 CB GLU A 108 -10.624 -8.105 8.481 1.00 0.00 C ATOM 1619 CG GLU A 108 -10.593 -8.534 9.939 1.00 0.00 C ATOM 1620 CD GLU A 108 -10.892 -7.392 10.890 1.00 0.00 C ATOM 1621 OE1 GLU A 108 -10.044 -6.483 11.010 1.00 0.00 O ATOM 1622 OE2 GLU A 108 -11.974 -7.406 11.513 1.00 0.00 O ATOM 0 H GLU A 108 -11.923 -10.258 8.108 1.00 0.00 H new ATOM 0 HA GLU A 108 -12.662 -7.442 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -9.942 -8.736 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -10.253 -7.083 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -11.320 -9.331 10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -9.612 -8.948 10.171 1.00 0.00 H new ATOM 1629 N ARG A 109 -11.520 -8.845 5.571 1.00 0.00 N ATOM 1630 CA ARG A 109 -11.392 -8.668 4.130 1.00 0.00 C ATOM 1631 C ARG A 109 -12.471 -7.728 3.599 1.00 0.00 C ATOM 1632 O ARG A 109 -12.171 -6.670 3.048 1.00 0.00 O ATOM 1633 CB ARG A 109 -11.482 -10.019 3.418 1.00 0.00 C ATOM 1634 CG ARG A 109 -10.822 -10.031 2.049 1.00 0.00 C ATOM 1635 CD ARG A 109 -11.623 -9.226 1.038 1.00 0.00 C ATOM 1636 NE ARG A 109 -12.959 -9.778 0.832 1.00 0.00 N ATOM 1637 CZ ARG A 109 -13.964 -9.093 0.297 1.00 0.00 C ATOM 1638 NH1 ARG A 109 -13.784 -7.836 -0.085 1.00 0.00 N ATOM 1639 NH2 ARG A 109 -15.151 -9.665 0.143 1.00 0.00 N ATOM 0 H ARG A 109 -11.272 -9.776 5.905 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.417 -8.224 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.017 -10.781 4.043 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.531 -10.293 3.309 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -9.815 -9.622 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -10.723 -11.059 1.701 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -11.706 -8.195 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -11.089 -9.204 0.088 1.00 0.00 H new ATOM 0 HE ARG A 109 -13.130 -10.743 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -12.873 -7.393 0.032 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -14.557 -7.312 -0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.293 -10.632 0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.922 -9.138 -0.268 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.729 -8.124 3.770 1.00 0.00 N ATOM 1654 CA GLY A 110 -14.834 -7.307 3.303 1.00 0.00 C ATOM 1655 C GLY A 110 -14.597 -5.827 3.530 1.00 0.00 C ATOM 1656 O GLY A 110 -14.874 -5.006 2.656 1.00 0.00 O ATOM 0 H GLY A 110 -14.002 -8.996 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -14.991 -7.488 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -15.747 -7.609 3.816 1.00 0.00 H new ATOM 1660 N ASP A 111 -14.084 -5.485 4.707 1.00 0.00 N ATOM 1661 CA ASP A 111 -13.810 -4.094 5.047 1.00 0.00 C ATOM 1662 C ASP A 111 -12.461 -3.653 4.489 1.00 0.00 C ATOM 1663 O ASP A 111 -12.375 -2.679 3.742 1.00 0.00 O ATOM 1664 CB ASP A 111 -13.836 -3.903 6.564 1.00 0.00 C ATOM 1665 CG ASP A 111 -13.801 -2.441 6.964 1.00 0.00 C ATOM 1666 OD1 ASP A 111 -14.866 -1.789 6.926 1.00 0.00 O ATOM 1667 OD2 ASP A 111 -12.709 -1.948 7.316 1.00 0.00 O ATOM 0 H ASP A 111 -13.850 -6.153 5.442 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.587 -3.476 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.735 -4.366 6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -12.984 -4.418 7.007 1.00 0.00 H new ATOM 1672 N TRP A 112 -11.410 -4.377 4.857 1.00 0.00 N ATOM 1673 CA TRP A 112 -10.064 -4.060 4.394 1.00 0.00 C ATOM 1674 C TRP A 112 -10.091 -3.526 2.966 1.00 0.00 C ATOM 1675 O TRP A 112 -9.918 -2.328 2.737 1.00 0.00 O ATOM 1676 CB TRP A 112 -9.170 -5.299 4.471 1.00 0.00 C ATOM 1677 CG TRP A 112 -8.530 -5.487 5.813 1.00 0.00 C ATOM 1678 CD1 TRP A 112 -8.731 -6.525 6.678 1.00 0.00 C ATOM 1679 CD2 TRP A 112 -7.588 -4.613 6.443 1.00 0.00 C ATOM 1680 NE1 TRP A 112 -7.970 -6.348 7.808 1.00 0.00 N ATOM 1681 CE2 TRP A 112 -7.259 -5.183 7.688 1.00 0.00 C ATOM 1682 CE3 TRP A 112 -6.988 -3.406 6.076 1.00 0.00 C ATOM 1683 CZ2 TRP A 112 -6.359 -4.585 8.566 1.00 0.00 C ATOM 1684 CZ3 TRP A 112 -6.094 -2.813 6.948 1.00 0.00 C ATOM 1685 CH2 TRP A 112 -5.786 -3.404 8.181 1.00 0.00 C ATOM 0 H TRP A 112 -11.464 -5.187 5.474 1.00 0.00 H new ATOM 0 HA TRP A 112 -9.657 -3.286 5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 112 -9.763 -6.182 4.233 1.00 0.00 H new ATOM 0 HB3 TRP A 112 -8.391 -5.224 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 112 -9.391 -7.361 6.500 1.00 0.00 H new ATOM 0 HE1 TRP A 112 -7.939 -6.981 8.607 1.00 0.00 H new ATOM 0 HE3 TRP A 112 -7.219 -2.944 5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 -6.122 -5.038 9.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 -5.625 -1.879 6.675 1.00 0.00 H new ATOM 0 HH2 TRP A 112 -5.082 -2.917 8.840 1.00 0.00 H new ATOM 1696 N VAL A 113 -10.310 -4.421 2.008 1.00 0.00 N ATOM 1697 CA VAL A 113 -10.361 -4.038 0.602 1.00 0.00 C ATOM 1698 C VAL A 113 -11.073 -2.702 0.421 1.00 0.00 C ATOM 1699 O VAL A 113 -10.626 -1.849 -0.345 1.00 0.00 O ATOM 1700 CB VAL A 113 -11.077 -5.107 -0.245 1.00 0.00 C ATOM 1701 CG1 VAL A 113 -11.242 -4.630 -1.680 1.00 0.00 C ATOM 1702 CG2 VAL A 113 -10.315 -6.423 -0.197 1.00 0.00 C ATOM 0 H VAL A 113 -10.455 -5.416 2.180 1.00 0.00 H new ATOM 0 HA VAL A 113 -9.330 -3.946 0.262 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.070 -5.272 0.174 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -11.750 -5.399 -2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.833 -3.714 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.261 -4.435 -2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.835 -7.167 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -9.309 -6.276 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.254 -6.771 0.834 1.00 0.00 H new ATOM 1712 N GLN A 114 -12.183 -2.528 1.132 1.00 0.00 N ATOM 1713 CA GLN A 114 -12.957 -1.296 1.049 1.00 0.00 C ATOM 1714 C GLN A 114 -12.130 -0.102 1.516 1.00 0.00 C ATOM 1715 O GLN A 114 -11.811 0.790 0.730 1.00 0.00 O ATOM 1716 CB GLN A 114 -14.229 -1.410 1.890 1.00 0.00 C ATOM 1717 CG GLN A 114 -15.303 -0.405 1.509 1.00 0.00 C ATOM 1718 CD GLN A 114 -16.678 -0.800 2.011 1.00 0.00 C ATOM 1719 OE1 GLN A 114 -17.022 -1.982 2.048 1.00 0.00 O ATOM 1720 NE2 GLN A 114 -17.473 0.189 2.402 1.00 0.00 N ATOM 0 H GLN A 114 -12.566 -3.225 1.771 1.00 0.00 H new ATOM 0 HA GLN A 114 -13.233 -1.139 0.006 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -14.633 -2.417 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -13.973 -1.275 2.941 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -15.040 0.572 1.913 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -15.332 -0.304 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -17.147 1.154 2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -18.409 -0.017 2.750 1.00 0.00 H new ATOM 1729 N ALA A 115 -11.788 -0.091 2.800 1.00 0.00 N ATOM 1730 CA ALA A 115 -10.997 0.992 3.371 1.00 0.00 C ATOM 1731 C ALA A 115 -9.761 1.274 2.525 1.00 0.00 C ATOM 1732 O ALA A 115 -9.601 2.372 1.991 1.00 0.00 O ATOM 1733 CB ALA A 115 -10.596 0.656 4.800 1.00 0.00 C ATOM 0 H ALA A 115 -12.046 -0.820 3.465 1.00 0.00 H new ATOM 0 HA ALA A 115 -11.612 1.892 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -10.006 1.473 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -11.491 0.512 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -10.003 -0.259 4.806 1.00 0.00 H new ATOM 1739 N ILE A 116 -8.890 0.278 2.408 1.00 0.00 N ATOM 1740 CA ILE A 116 -7.668 0.421 1.625 1.00 0.00 C ATOM 1741 C ILE A 116 -7.941 1.129 0.303 1.00 0.00 C ATOM 1742 O ILE A 116 -7.159 1.974 -0.134 1.00 0.00 O ATOM 1743 CB ILE A 116 -7.020 -0.947 1.339 1.00 0.00 C ATOM 1744 CG1 ILE A 116 -6.692 -1.665 2.649 1.00 0.00 C ATOM 1745 CG2 ILE A 116 -5.766 -0.773 0.495 1.00 0.00 C ATOM 1746 CD1 ILE A 116 -6.254 -3.101 2.458 1.00 0.00 C ATOM 0 H ILE A 116 -9.007 -0.636 2.845 1.00 0.00 H new ATOM 0 HA ILE A 116 -6.980 1.022 2.220 1.00 0.00 H new ATOM 0 HB ILE A 116 -7.729 -1.558 0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -5.903 -1.119 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -7.570 -1.644 3.295 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -5.320 -1.748 0.301 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -6.027 -0.299 -0.451 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -5.052 -0.147 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -6.038 -3.548 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -7.050 -3.662 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -5.358 -3.129 1.838 1.00 0.00 H new ATOM 1758 N CYS A 117 -9.056 0.780 -0.329 1.00 0.00 N ATOM 1759 CA CYS A 117 -9.434 1.383 -1.602 1.00 0.00 C ATOM 1760 C CYS A 117 -9.897 2.823 -1.406 1.00 0.00 C ATOM 1761 O CYS A 117 -9.597 3.699 -2.218 1.00 0.00 O ATOM 1762 CB CYS A 117 -10.541 0.565 -2.269 1.00 0.00 C ATOM 1763 SG CYS A 117 -10.806 0.964 -4.012 1.00 0.00 S ATOM 0 H CYS A 117 -9.714 0.083 0.019 1.00 0.00 H new ATOM 0 HA CYS A 117 -8.556 1.388 -2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -10.298 -0.494 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -11.473 0.723 -1.726 1.00 0.00 H new ATOM 0 HG CYS A 117 -9.734 1.514 -4.499 1.00 0.00 H new ATOM 1769 N LEU A 118 -10.630 3.061 -0.324 1.00 0.00 N ATOM 1770 CA LEU A 118 -11.136 4.395 -0.021 1.00 0.00 C ATOM 1771 C LEU A 118 -9.993 5.398 0.094 1.00 0.00 C ATOM 1772 O LEU A 118 -10.106 6.539 -0.355 1.00 0.00 O ATOM 1773 CB LEU A 118 -11.943 4.373 1.279 1.00 0.00 C ATOM 1774 CG LEU A 118 -13.438 4.086 1.135 1.00 0.00 C ATOM 1775 CD1 LEU A 118 -14.128 5.214 0.385 1.00 0.00 C ATOM 1776 CD2 LEU A 118 -13.661 2.757 0.428 1.00 0.00 C ATOM 0 H LEU A 118 -10.887 2.348 0.358 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.786 4.705 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.511 3.621 1.939 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.824 5.337 1.773 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.874 4.021 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -15.191 4.992 0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.998 6.148 0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.690 5.312 -0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.731 2.570 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.211 2.793 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.201 1.956 1.006 1.00 0.00 H new ATOM 1788 N LEU A 119 -8.891 4.964 0.696 1.00 0.00 N ATOM 1789 CA LEU A 119 -7.724 5.824 0.868 1.00 0.00 C ATOM 1790 C LEU A 119 -6.799 5.735 -0.341 1.00 0.00 C ATOM 1791 O LEU A 119 -6.503 6.742 -0.984 1.00 0.00 O ATOM 1792 CB LEU A 119 -6.963 5.435 2.137 1.00 0.00 C ATOM 1793 CG LEU A 119 -7.518 5.990 3.449 1.00 0.00 C ATOM 1794 CD1 LEU A 119 -6.848 5.319 4.638 1.00 0.00 C ATOM 1795 CD2 LEU A 119 -7.331 7.499 3.512 1.00 0.00 C ATOM 0 H LEU A 119 -8.781 4.023 1.073 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.072 6.853 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -6.943 4.347 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.930 5.767 2.033 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.586 5.774 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.256 5.727 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.033 4.245 4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.774 5.503 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.732 7.876 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.269 7.737 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.858 7.966 2.680 1.00 0.00 H new ATOM 1807 N ALA A 120 -6.347 4.523 -0.646 1.00 0.00 N ATOM 1808 CA ALA A 120 -5.459 4.302 -1.781 1.00 0.00 C ATOM 1809 C ALA A 120 -5.893 5.129 -2.986 1.00 0.00 C ATOM 1810 O ALA A 120 -5.126 5.944 -3.500 1.00 0.00 O ATOM 1811 CB ALA A 120 -5.420 2.824 -2.139 1.00 0.00 C ATOM 0 H ALA A 120 -6.581 3.679 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.457 4.622 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -4.753 2.673 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -5.056 2.252 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -6.423 2.486 -2.401 1.00 0.00 H new ATOM 1817 N PHE A 121 -7.126 4.914 -3.433 1.00 0.00 N ATOM 1818 CA PHE A 121 -7.660 5.639 -4.580 1.00 0.00 C ATOM 1819 C PHE A 121 -8.641 6.719 -4.131 1.00 0.00 C ATOM 1820 O PHE A 121 -9.719 6.871 -4.706 1.00 0.00 O ATOM 1821 CB PHE A 121 -8.353 4.673 -5.543 1.00 0.00 C ATOM 1822 CG PHE A 121 -7.646 3.356 -5.683 1.00 0.00 C ATOM 1823 CD1 PHE A 121 -7.754 2.388 -4.697 1.00 0.00 C ATOM 1824 CD2 PHE A 121 -6.872 3.086 -6.800 1.00 0.00 C ATOM 1825 CE1 PHE A 121 -7.105 1.175 -4.823 1.00 0.00 C ATOM 1826 CE2 PHE A 121 -6.220 1.874 -6.931 1.00 0.00 C ATOM 1827 CZ PHE A 121 -6.336 0.918 -5.941 1.00 0.00 C ATOM 0 H PHE A 121 -7.774 4.244 -3.019 1.00 0.00 H new ATOM 0 HA PHE A 121 -6.828 6.119 -5.095 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -9.371 4.495 -5.196 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -8.428 5.142 -6.524 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.353 2.584 -3.820 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -6.777 3.830 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -7.199 0.429 -4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -5.620 1.675 -7.807 1.00 0.00 H new ATOM 0 HZ PHE A 121 -5.826 -0.029 -6.041 1.00 0.00 H new ATOM 1837 N SER A 122 -8.259 7.466 -3.100 1.00 0.00 N ATOM 1838 CA SER A 122 -9.106 8.529 -2.571 1.00 0.00 C ATOM 1839 C SER A 122 -9.275 9.648 -3.593 1.00 0.00 C ATOM 1840 O SER A 122 -8.385 10.477 -3.777 1.00 0.00 O ATOM 1841 CB SER A 122 -8.509 9.089 -1.278 1.00 0.00 C ATOM 1842 OG SER A 122 -7.149 9.446 -1.458 1.00 0.00 O ATOM 0 H SER A 122 -7.369 7.355 -2.615 1.00 0.00 H new ATOM 0 HA SER A 122 -10.087 8.106 -2.356 1.00 0.00 H new ATOM 0 HB2 SER A 122 -9.078 9.962 -0.959 1.00 0.00 H new ATOM 0 HB3 SER A 122 -8.592 8.347 -0.484 1.00 0.00 H new ATOM 0 HG SER A 122 -6.584 8.655 -1.332 1.00 0.00 H new ATOM 1848 N GLY A 123 -10.427 9.665 -4.258 1.00 0.00 N ATOM 1849 CA GLY A 123 -10.694 10.686 -5.254 1.00 0.00 C ATOM 1850 C GLY A 123 -11.123 10.100 -6.584 1.00 0.00 C ATOM 1851 O GLY A 123 -11.420 8.911 -6.696 1.00 0.00 O ATOM 0 H GLY A 123 -11.180 8.990 -4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.474 11.353 -4.886 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.799 11.291 -5.399 1.00 0.00 H new ATOM 1855 N PRO A 124 -11.162 10.947 -7.624 1.00 0.00 N ATOM 1856 CA PRO A 124 -11.558 10.529 -8.971 1.00 0.00 C ATOM 1857 C PRO A 124 -10.522 9.620 -9.624 1.00 0.00 C ATOM 1858 O PRO A 124 -9.337 9.948 -9.672 1.00 0.00 O ATOM 1859 CB PRO A 124 -11.667 11.850 -9.736 1.00 0.00 C ATOM 1860 CG PRO A 124 -10.760 12.783 -9.010 1.00 0.00 C ATOM 1861 CD PRO A 124 -10.820 12.378 -7.563 1.00 0.00 C ATOM 0 HA PRO A 124 -12.481 9.949 -8.962 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -11.363 11.732 -10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -12.692 12.220 -9.743 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -9.742 12.714 -9.393 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -11.079 13.817 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -9.867 12.542 -7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -11.572 12.948 -7.017 1.00 0.00 H new ATOM 1869 N SER A 125 -10.978 8.476 -10.127 1.00 0.00 N ATOM 1870 CA SER A 125 -10.090 7.518 -10.774 1.00 0.00 C ATOM 1871 C SER A 125 -10.111 7.695 -12.289 1.00 0.00 C ATOM 1872 O SER A 125 -11.152 7.541 -12.929 1.00 0.00 O ATOM 1873 CB SER A 125 -10.495 6.089 -10.410 1.00 0.00 C ATOM 1874 OG SER A 125 -9.862 5.147 -11.260 1.00 0.00 O ATOM 0 H SER A 125 -11.957 8.191 -10.098 1.00 0.00 H new ATOM 0 HA SER A 125 -9.076 7.702 -10.419 1.00 0.00 H new ATOM 0 HB2 SER A 125 -10.228 5.885 -9.373 1.00 0.00 H new ATOM 0 HB3 SER A 125 -11.577 5.984 -10.487 1.00 0.00 H new ATOM 0 HG SER A 125 -10.136 4.241 -11.006 1.00 0.00 H new ATOM 1880 N SER A 126 -8.955 8.021 -12.857 1.00 0.00 N ATOM 1881 CA SER A 126 -8.840 8.223 -14.297 1.00 0.00 C ATOM 1882 C SER A 126 -10.091 8.898 -14.852 1.00 0.00 C ATOM 1883 O SER A 126 -10.593 8.525 -15.911 1.00 0.00 O ATOM 1884 CB SER A 126 -8.612 6.887 -15.005 1.00 0.00 C ATOM 1885 OG SER A 126 -9.613 5.947 -14.656 1.00 0.00 O ATOM 0 H SER A 126 -8.084 8.151 -12.342 1.00 0.00 H new ATOM 0 HA SER A 126 -7.985 8.873 -14.480 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.612 7.039 -16.084 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.631 6.494 -14.739 1.00 0.00 H new ATOM 0 HG SER A 126 -9.445 5.102 -15.123 1.00 0.00 H new ATOM 1891 N GLY A 127 -10.590 9.895 -14.126 1.00 0.00 N ATOM 1892 CA GLY A 127 -11.778 10.606 -14.561 1.00 0.00 C ATOM 1893 C GLY A 127 -11.453 11.948 -15.187 1.00 0.00 C ATOM 1894 O GLY A 127 -12.321 12.591 -15.777 1.00 0.00 O ATOM 0 H GLY A 127 -10.193 10.222 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.321 9.994 -15.282 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -12.440 10.757 -13.708 1.00 0.00 H new TER 1898 GLY A 127