USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= -0.332 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -140:sc=-0.00281 (180deg=-0.206) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -1.155 -3.634 16.897 1.00 0.00 N ATOM 2 CA ALA A 2 -1.759 -2.490 16.167 1.00 0.00 C ATOM 3 C ALA A 2 -3.255 -2.700 15.960 1.00 0.00 C ATOM 4 O ALA A 2 -4.027 -1.742 15.914 1.00 0.00 O ATOM 5 CB ALA A 2 -1.064 -2.293 14.828 1.00 0.00 C ATOM 0 HA ALA A 2 -1.623 -1.593 16.771 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.517 -1.451 14.303 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.006 -2.091 14.994 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.171 -3.196 14.226 1.00 0.00 H new ATOM 13 N SER A 3 -3.659 -3.960 15.835 1.00 0.00 N ATOM 14 CA SER A 3 -5.063 -4.295 15.633 1.00 0.00 C ATOM 15 C SER A 3 -5.784 -4.448 16.968 1.00 0.00 C ATOM 16 O SER A 3 -5.241 -5.012 17.918 1.00 0.00 O ATOM 17 CB SER A 3 -5.190 -5.586 14.822 1.00 0.00 C ATOM 18 OG SER A 3 -4.730 -5.402 13.495 1.00 0.00 O ATOM 0 H SER A 3 -3.034 -4.765 15.870 1.00 0.00 H new ATOM 0 HA SER A 3 -5.528 -3.479 15.080 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.616 -6.379 15.302 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.231 -5.909 14.808 1.00 0.00 H new ATOM 0 HG SER A 3 -4.820 -6.242 12.998 1.00 0.00 H new ATOM 24 N THR A 4 -7.011 -3.940 17.034 1.00 0.00 N ATOM 25 CA THR A 4 -7.807 -4.019 18.254 1.00 0.00 C ATOM 26 C THR A 4 -9.270 -4.303 17.929 1.00 0.00 C ATOM 27 O THR A 4 -9.865 -5.238 18.463 1.00 0.00 O ATOM 28 CB THR A 4 -7.691 -2.718 19.048 1.00 0.00 C ATOM 29 OG1 THR A 4 -6.341 -2.300 19.131 1.00 0.00 O ATOM 30 CG2 THR A 4 -8.226 -2.828 20.459 1.00 0.00 C ATOM 0 H THR A 4 -7.475 -3.469 16.257 1.00 0.00 H new ATOM 0 HA THR A 4 -7.422 -4.840 18.859 1.00 0.00 H new ATOM 0 HB THR A 4 -8.296 -1.993 18.504 1.00 0.00 H new ATOM 0 HG1 THR A 4 -6.288 -1.465 19.641 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.113 -1.870 20.967 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.281 -3.100 20.428 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.670 -3.593 21.000 1.00 0.00 H new ATOM 38 N SER A 5 -9.843 -3.487 17.049 1.00 0.00 N ATOM 39 CA SER A 5 -11.236 -3.648 16.650 1.00 0.00 C ATOM 40 C SER A 5 -11.359 -3.735 15.132 1.00 0.00 C ATOM 41 O SER A 5 -11.956 -4.672 14.600 1.00 0.00 O ATOM 42 CB SER A 5 -12.077 -2.484 17.177 1.00 0.00 C ATOM 43 OG SER A 5 -11.829 -2.257 18.554 1.00 0.00 O ATOM 0 H SER A 5 -9.363 -2.708 16.599 1.00 0.00 H new ATOM 0 HA SER A 5 -11.607 -4.578 17.080 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.850 -1.581 16.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.135 -2.698 17.025 1.00 0.00 H new ATOM 0 HG SER A 5 -12.377 -1.507 18.866 1.00 0.00 H new ATOM 49 N ARG A 6 -10.791 -2.752 14.442 1.00 0.00 N ATOM 50 CA ARG A 6 -10.835 -2.717 12.984 1.00 0.00 C ATOM 51 C ARG A 6 -12.274 -2.679 12.481 1.00 0.00 C ATOM 52 O ARG A 6 -13.207 -3.016 13.210 1.00 0.00 O ATOM 53 CB ARG A 6 -10.110 -3.932 12.402 1.00 0.00 C ATOM 54 CG ARG A 6 -8.619 -3.713 12.203 1.00 0.00 C ATOM 55 CD ARG A 6 -7.825 -4.979 12.487 1.00 0.00 C ATOM 56 NE ARG A 6 -7.362 -5.624 11.260 1.00 0.00 N ATOM 57 CZ ARG A 6 -8.115 -6.431 10.515 1.00 0.00 C ATOM 58 NH1 ARG A 6 -9.368 -6.697 10.867 1.00 0.00 N ATOM 59 NH2 ARG A 6 -7.614 -6.976 9.415 1.00 0.00 N ATOM 0 H ARG A 6 -10.295 -1.969 14.868 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.332 -1.809 12.653 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.258 -4.785 13.064 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.562 -4.190 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.432 -3.387 11.180 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.277 -2.913 12.860 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.967 -4.736 13.114 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.445 -5.676 13.051 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.405 -5.445 10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.759 -6.282 11.713 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.939 -7.316 10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.652 -6.777 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.190 -7.594 8.844 1.00 0.00 H new ATOM 73 N LEU A 7 -12.445 -2.269 11.228 1.00 0.00 N ATOM 74 CA LEU A 7 -13.770 -2.187 10.623 1.00 0.00 C ATOM 75 C LEU A 7 -13.961 -3.283 9.576 1.00 0.00 C ATOM 76 O LEU A 7 -15.089 -3.664 9.264 1.00 0.00 O ATOM 77 CB LEU A 7 -13.976 -0.811 9.986 1.00 0.00 C ATOM 78 CG LEU A 7 -14.967 0.099 10.715 1.00 0.00 C ATOM 79 CD1 LEU A 7 -16.382 -0.446 10.595 1.00 0.00 C ATOM 80 CD2 LEU A 7 -14.574 0.248 12.178 1.00 0.00 C ATOM 0 H LEU A 7 -11.682 -1.988 10.612 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.512 -2.331 11.409 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -13.012 -0.304 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -14.320 -0.950 8.961 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.939 1.083 10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -17.072 0.215 11.120 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -16.662 -0.502 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -16.427 -1.442 11.036 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.289 0.898 12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -14.574 -0.731 12.656 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -13.577 0.684 12.244 1.00 0.00 H new ATOM 92 N ASP A 8 -12.853 -3.786 9.038 1.00 0.00 N ATOM 93 CA ASP A 8 -12.901 -4.835 8.026 1.00 0.00 C ATOM 94 C ASP A 8 -13.544 -4.324 6.741 1.00 0.00 C ATOM 95 O ASP A 8 -14.738 -4.519 6.511 1.00 0.00 O ATOM 96 CB ASP A 8 -13.674 -6.048 8.550 1.00 0.00 C ATOM 97 CG ASP A 8 -13.076 -7.361 8.084 1.00 0.00 C ATOM 98 OD1 ASP A 8 -11.873 -7.587 8.330 1.00 0.00 O ATOM 99 OD2 ASP A 8 -13.812 -8.163 7.471 1.00 0.00 O ATOM 0 H ASP A 8 -11.911 -3.483 9.287 1.00 0.00 H new ATOM 0 HA ASP A 8 -11.877 -5.135 7.804 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.686 -6.024 9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.710 -5.986 8.218 1.00 0.00 H new ATOM 104 N ALA A 9 -12.745 -3.666 5.907 1.00 0.00 N ATOM 105 CA ALA A 9 -13.236 -3.126 4.646 1.00 0.00 C ATOM 106 C ALA A 9 -12.083 -2.778 3.708 1.00 0.00 C ATOM 107 O ALA A 9 -11.830 -1.605 3.428 1.00 0.00 O ATOM 108 CB ALA A 9 -14.102 -1.902 4.900 1.00 0.00 C ATOM 0 H ALA A 9 -11.755 -3.494 6.082 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.841 -3.893 4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.463 -1.508 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -14.952 -2.180 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -13.513 -1.139 5.409 1.00 0.00 H new ATOM 114 N LEU A 10 -11.389 -3.802 3.226 1.00 0.00 N ATOM 115 CA LEU A 10 -10.265 -3.602 2.318 1.00 0.00 C ATOM 116 C LEU A 10 -10.059 -4.824 1.423 1.00 0.00 C ATOM 117 O LEU A 10 -9.031 -5.496 1.502 1.00 0.00 O ATOM 118 CB LEU A 10 -8.989 -3.309 3.109 1.00 0.00 C ATOM 119 CG LEU A 10 -8.596 -4.382 4.128 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.093 -4.377 4.354 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.336 -4.166 5.439 1.00 0.00 C ATOM 0 H LEU A 10 -11.584 -4.778 3.448 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.493 -2.747 1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.166 -3.179 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.114 -2.361 3.633 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.879 -5.357 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.832 -5.146 5.081 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.583 -4.580 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.785 -3.402 4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.045 -4.937 6.152 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.084 -3.185 5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.410 -4.221 5.264 1.00 0.00 H new ATOM 133 N PRO A 11 -11.040 -5.129 0.555 1.00 0.00 N ATOM 134 CA PRO A 11 -10.962 -6.274 -0.357 1.00 0.00 C ATOM 135 C PRO A 11 -9.850 -6.112 -1.387 1.00 0.00 C ATOM 136 O PRO A 11 -9.003 -5.226 -1.268 1.00 0.00 O ATOM 137 CB PRO A 11 -12.333 -6.291 -1.051 1.00 0.00 C ATOM 138 CG PRO A 11 -13.208 -5.409 -0.226 1.00 0.00 C ATOM 139 CD PRO A 11 -12.299 -4.387 0.391 1.00 0.00 C ATOM 0 HA PRO A 11 -10.734 -7.198 0.175 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.259 -5.924 -2.075 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.734 -7.303 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.972 -4.932 -0.840 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.728 -5.983 0.541 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.174 -3.516 -0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.684 -4.027 1.345 1.00 0.00 H new ATOM 147 N ARG A 12 -9.859 -6.971 -2.401 1.00 0.00 N ATOM 148 CA ARG A 12 -8.853 -6.923 -3.456 1.00 0.00 C ATOM 149 C ARG A 12 -7.447 -7.066 -2.879 1.00 0.00 C ATOM 150 O ARG A 12 -6.673 -6.109 -2.852 1.00 0.00 O ATOM 151 CB ARG A 12 -8.967 -5.610 -4.237 1.00 0.00 C ATOM 152 CG ARG A 12 -10.040 -5.635 -5.313 1.00 0.00 C ATOM 153 CD ARG A 12 -9.795 -4.569 -6.369 1.00 0.00 C ATOM 154 NE ARG A 12 -10.113 -5.046 -7.713 1.00 0.00 N ATOM 155 CZ ARG A 12 -9.323 -5.852 -8.420 1.00 0.00 C ATOM 156 NH1 ARG A 12 -8.170 -6.273 -7.915 1.00 0.00 N ATOM 157 NH2 ARG A 12 -9.689 -6.240 -9.634 1.00 0.00 N ATOM 0 H ARG A 12 -10.553 -7.710 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.032 -7.759 -4.133 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.181 -4.800 -3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.005 -5.387 -4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.061 -6.618 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.018 -5.479 -4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.399 -3.690 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.752 -4.256 -6.333 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.991 -4.744 -8.134 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.885 -5.979 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.569 -6.890 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.575 -5.921 -10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.084 -6.857 -10.176 1.00 0.00 H new ATOM 171 N VAL A 13 -7.125 -8.270 -2.418 1.00 0.00 N ATOM 172 CA VAL A 13 -5.813 -8.543 -1.842 1.00 0.00 C ATOM 173 C VAL A 13 -5.402 -9.991 -2.086 1.00 0.00 C ATOM 174 O VAL A 13 -5.626 -10.860 -1.243 1.00 0.00 O ATOM 175 CB VAL A 13 -5.796 -8.264 -0.327 1.00 0.00 C ATOM 176 CG1 VAL A 13 -4.380 -8.364 0.219 1.00 0.00 C ATOM 177 CG2 VAL A 13 -6.394 -6.897 -0.030 1.00 0.00 C ATOM 0 H VAL A 13 -7.755 -9.072 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.104 -7.877 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.406 -9.018 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.388 -8.164 1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.991 -9.366 0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.745 -7.634 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.374 -6.717 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.813 -6.127 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.425 -6.866 -0.384 1.00 0.00 H new ATOM 187 N THR A 14 -4.804 -10.245 -3.245 1.00 0.00 N ATOM 188 CA THR A 14 -4.366 -11.590 -3.600 1.00 0.00 C ATOM 189 C THR A 14 -2.946 -11.578 -4.155 1.00 0.00 C ATOM 190 O THR A 14 -2.305 -10.530 -4.229 1.00 0.00 O ATOM 191 CB THR A 14 -5.320 -12.202 -4.626 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.584 -11.285 -5.673 1.00 0.00 O ATOM 193 CG2 THR A 14 -6.651 -12.617 -4.034 1.00 0.00 C ATOM 0 H THR A 14 -4.612 -9.538 -3.954 1.00 0.00 H new ATOM 0 HA THR A 14 -4.374 -12.196 -2.694 1.00 0.00 H new ATOM 0 HB THR A 14 -4.812 -13.092 -4.998 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.195 -11.695 -6.321 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.280 -13.043 -4.816 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.486 -13.361 -3.255 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.146 -11.746 -3.605 1.00 0.00 H new ATOM 201 N CYS A 15 -2.462 -12.753 -4.544 1.00 0.00 N ATOM 202 CA CYS A 15 -1.119 -12.888 -5.094 1.00 0.00 C ATOM 203 C CYS A 15 -1.181 -13.144 -6.601 1.00 0.00 C ATOM 204 O CYS A 15 -2.043 -13.884 -7.077 1.00 0.00 O ATOM 205 CB CYS A 15 -0.380 -14.029 -4.387 1.00 0.00 C ATOM 206 SG CYS A 15 1.193 -14.502 -5.150 1.00 0.00 S ATOM 0 H CYS A 15 -2.983 -13.628 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.575 -11.958 -4.928 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.193 -13.737 -3.354 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.031 -14.903 -4.359 1.00 0.00 H new ATOM 211 N PRO A 16 -0.270 -12.529 -7.377 1.00 0.00 N ATOM 212 CA PRO A 16 -0.235 -12.692 -8.837 1.00 0.00 C ATOM 213 C PRO A 16 -0.124 -14.151 -9.266 1.00 0.00 C ATOM 214 O PRO A 16 -0.770 -14.578 -10.222 1.00 0.00 O ATOM 215 CB PRO A 16 1.017 -11.919 -9.258 1.00 0.00 C ATOM 216 CG PRO A 16 1.256 -10.945 -8.156 1.00 0.00 C ATOM 217 CD PRO A 16 0.790 -11.623 -6.899 1.00 0.00 C ATOM 0 HA PRO A 16 -1.153 -12.331 -9.300 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.869 -12.587 -9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.865 -11.409 -10.209 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.312 -10.682 -8.089 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.707 -10.019 -8.327 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.598 -12.170 -6.413 1.00 0.00 H new ATOM 0 HD3 PRO A 16 0.409 -10.906 -6.172 1.00 0.00 H new ATOM 225 N ASN A 17 0.709 -14.906 -8.562 1.00 0.00 N ATOM 226 CA ASN A 17 0.916 -16.316 -8.878 1.00 0.00 C ATOM 227 C ASN A 17 0.160 -17.233 -7.915 1.00 0.00 C ATOM 228 O ASN A 17 0.168 -18.452 -8.080 1.00 0.00 O ATOM 229 CB ASN A 17 2.408 -16.648 -8.846 1.00 0.00 C ATOM 230 CG ASN A 17 3.173 -15.977 -9.970 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.368 -14.668 -9.854 1.00 0.00 O flip ATOM 232 ND2 ASN A 17 3.585 -16.627 -10.931 1.00 0.00 N flip ATOM 0 H ASN A 17 1.253 -14.567 -7.768 1.00 0.00 H new ATOM 0 HA ASN A 17 0.523 -16.489 -9.880 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.826 -16.337 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.539 -17.728 -8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.412 -17.631 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.099 -16.161 -11.679 1.00 0.00 H new ATOM 239 N HIS A 18 -0.493 -16.648 -6.914 1.00 0.00 N ATOM 240 CA HIS A 18 -1.247 -17.430 -5.941 1.00 0.00 C ATOM 241 C HIS A 18 -2.644 -16.850 -5.734 1.00 0.00 C ATOM 242 O HIS A 18 -2.865 -16.055 -4.820 1.00 0.00 O ATOM 243 CB HIS A 18 -0.503 -17.485 -4.606 1.00 0.00 C ATOM 244 CG HIS A 18 0.748 -18.303 -4.650 1.00 0.00 C ATOM 245 ND1 HIS A 18 1.966 -17.784 -4.265 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.907 -19.597 -5.014 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.829 -18.781 -4.395 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.234 -19.893 -4.849 1.00 0.00 N ATOM 0 H HIS A 18 -0.515 -15.640 -6.757 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.349 -18.442 -6.333 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.253 -16.470 -4.297 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.168 -17.894 -3.846 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.136 -20.267 -5.366 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.881 -18.707 -4.164 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.684 -20.789 -5.036 1.00 0.00 H new ATOM 256 N PRO A 19 -3.611 -17.244 -6.580 1.00 0.00 N ATOM 257 CA PRO A 19 -4.992 -16.761 -6.480 1.00 0.00 C ATOM 258 C PRO A 19 -5.665 -17.210 -5.188 1.00 0.00 C ATOM 259 O PRO A 19 -6.581 -16.554 -4.692 1.00 0.00 O ATOM 260 CB PRO A 19 -5.686 -17.387 -7.693 1.00 0.00 C ATOM 261 CG PRO A 19 -4.847 -18.564 -8.052 1.00 0.00 C ATOM 262 CD PRO A 19 -3.437 -18.192 -7.695 1.00 0.00 C ATOM 0 HA PRO A 19 -5.042 -15.672 -6.467 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.706 -17.688 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.749 -16.680 -8.520 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.166 -19.452 -7.506 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.933 -18.795 -9.114 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.854 -19.063 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.916 -17.734 -8.536 1.00 0.00 H new ATOM 270 N ASP A 20 -5.203 -18.333 -4.645 1.00 0.00 N ATOM 271 CA ASP A 20 -5.759 -18.870 -3.409 1.00 0.00 C ATOM 272 C ASP A 20 -5.118 -18.204 -2.195 1.00 0.00 C ATOM 273 O ASP A 20 -5.799 -17.874 -1.224 1.00 0.00 O ATOM 274 CB ASP A 20 -5.554 -20.386 -3.348 1.00 0.00 C ATOM 275 CG ASP A 20 -6.862 -21.150 -3.423 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.500 -21.339 -2.367 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.246 -21.559 -4.539 1.00 0.00 O ATOM 0 H ASP A 20 -4.445 -18.888 -5.042 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.828 -18.658 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.908 -20.696 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.039 -20.643 -2.423 1.00 0.00 H new ATOM 282 N ALA A 21 -3.804 -18.006 -2.259 1.00 0.00 N ATOM 283 CA ALA A 21 -3.073 -17.378 -1.166 1.00 0.00 C ATOM 284 C ALA A 21 -3.501 -15.926 -0.989 1.00 0.00 C ATOM 285 O ALA A 21 -4.243 -15.384 -1.809 1.00 0.00 O ATOM 286 CB ALA A 21 -1.574 -17.462 -1.417 1.00 0.00 C ATOM 0 H ALA A 21 -3.226 -18.272 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.306 -17.915 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.040 -16.989 -0.593 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.275 -18.508 -1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.332 -16.949 -2.348 1.00 0.00 H new ATOM 292 N ILE A 22 -3.035 -15.301 0.087 1.00 0.00 N ATOM 293 CA ILE A 22 -3.377 -13.912 0.369 1.00 0.00 C ATOM 294 C ILE A 22 -2.154 -13.121 0.822 1.00 0.00 C ATOM 295 O ILE A 22 -1.657 -13.308 1.933 1.00 0.00 O ATOM 296 CB ILE A 22 -4.467 -13.811 1.454 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.641 -14.736 1.120 1.00 0.00 C ATOM 298 CG2 ILE A 22 -4.940 -12.373 1.597 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.703 -15.972 1.992 1.00 0.00 C ATOM 0 H ILE A 22 -2.421 -15.733 0.777 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.756 -13.488 -0.561 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.041 -14.129 2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.573 -14.180 1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.568 -15.041 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.710 -12.318 2.367 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.099 -11.740 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.351 -12.029 0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.559 -16.581 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.787 -16.550 1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.808 -15.676 3.036 1.00 0.00 H new ATOM 311 N LEU A 23 -1.677 -12.230 -0.042 1.00 0.00 N ATOM 312 CA LEU A 23 -0.517 -11.403 0.273 1.00 0.00 C ATOM 313 C LEU A 23 -0.774 -10.578 1.531 1.00 0.00 C ATOM 314 O LEU A 23 -1.416 -9.530 1.475 1.00 0.00 O ATOM 315 CB LEU A 23 -0.195 -10.475 -0.903 1.00 0.00 C ATOM 316 CG LEU A 23 1.142 -10.749 -1.597 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.922 -11.467 -2.922 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.910 -9.453 -1.812 1.00 0.00 C ATOM 0 H LEU A 23 -2.076 -12.062 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 23 0.335 -12.058 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.993 -10.557 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.197 -9.446 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 23 1.736 -11.396 -0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.884 -11.652 -3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.417 -12.416 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.307 -10.847 -3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.857 -9.669 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.321 -8.780 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.103 -8.980 -0.849 1.00 0.00 H new ATOM 330 N VAL A 24 -0.270 -11.058 2.666 1.00 0.00 N ATOM 331 CA VAL A 24 -0.448 -10.364 3.939 1.00 0.00 C ATOM 332 C VAL A 24 -0.145 -8.874 3.802 1.00 0.00 C ATOM 333 O VAL A 24 0.508 -8.452 2.849 1.00 0.00 O ATOM 334 CB VAL A 24 0.457 -10.962 5.036 1.00 0.00 C ATOM 335 CG1 VAL A 24 0.112 -10.377 6.396 1.00 0.00 C ATOM 336 CG2 VAL A 24 0.341 -12.480 5.056 1.00 0.00 C ATOM 0 H VAL A 24 0.265 -11.924 2.730 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.491 -10.494 4.227 1.00 0.00 H new ATOM 0 HB VAL A 24 1.490 -10.701 4.808 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.762 -10.812 7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.253 -9.296 6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.927 -10.602 6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.986 -12.884 5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.692 -12.763 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.646 -12.881 4.089 1.00 0.00 H new ATOM 346 N GLU A 25 -0.627 -8.084 4.755 1.00 0.00 N ATOM 347 CA GLU A 25 -0.409 -6.641 4.734 1.00 0.00 C ATOM 348 C GLU A 25 -0.036 -6.126 6.121 1.00 0.00 C ATOM 349 O GLU A 25 -0.770 -6.330 7.087 1.00 0.00 O ATOM 350 CB GLU A 25 -1.662 -5.922 4.229 1.00 0.00 C ATOM 351 CG GLU A 25 -2.071 -6.329 2.823 1.00 0.00 C ATOM 352 CD GLU A 25 -3.570 -6.259 2.610 1.00 0.00 C ATOM 353 OE1 GLU A 25 -4.286 -7.137 3.135 1.00 0.00 O ATOM 354 OE2 GLU A 25 -4.029 -5.326 1.918 1.00 0.00 O ATOM 0 H GLU A 25 -1.171 -8.417 5.551 1.00 0.00 H new ATOM 0 HA GLU A 25 0.418 -6.434 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.487 -6.125 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.487 -4.846 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.574 -5.680 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.727 -7.345 2.628 1.00 0.00 H new ATOM 361 N ASP A 26 1.111 -5.460 6.211 1.00 0.00 N ATOM 362 CA ASP A 26 1.583 -4.918 7.479 1.00 0.00 C ATOM 363 C ASP A 26 1.796 -6.031 8.500 1.00 0.00 C ATOM 364 O ASP A 26 0.842 -6.674 8.940 1.00 0.00 O ATOM 365 CB ASP A 26 0.587 -3.892 8.024 1.00 0.00 C ATOM 366 CG ASP A 26 0.643 -2.575 7.276 1.00 0.00 C ATOM 367 OD1 ASP A 26 0.697 -2.604 6.029 1.00 0.00 O ATOM 368 OD2 ASP A 26 0.635 -1.516 7.938 1.00 0.00 O ATOM 0 H ASP A 26 1.730 -5.283 5.420 1.00 0.00 H new ATOM 0 HA ASP A 26 2.539 -4.425 7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.422 -4.300 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.793 -3.716 9.080 1.00 0.00 H new ATOM 373 N TYR A 27 3.052 -6.256 8.870 1.00 0.00 N ATOM 374 CA TYR A 27 3.389 -7.295 9.837 1.00 0.00 C ATOM 375 C TYR A 27 4.188 -6.722 11.003 1.00 0.00 C ATOM 376 O TYR A 27 3.714 -6.697 12.139 1.00 0.00 O ATOM 377 CB TYR A 27 4.185 -8.411 9.159 1.00 0.00 C ATOM 378 CG TYR A 27 4.268 -9.680 9.978 1.00 0.00 C ATOM 379 CD1 TYR A 27 3.131 -10.435 10.242 1.00 0.00 C ATOM 380 CD2 TYR A 27 5.482 -10.122 10.487 1.00 0.00 C ATOM 381 CE1 TYR A 27 3.204 -11.594 10.990 1.00 0.00 C ATOM 382 CE2 TYR A 27 5.563 -11.282 11.235 1.00 0.00 C ATOM 383 CZ TYR A 27 4.421 -12.014 11.483 1.00 0.00 C ATOM 384 OH TYR A 27 4.497 -13.168 12.228 1.00 0.00 O ATOM 0 H TYR A 27 3.853 -5.734 8.515 1.00 0.00 H new ATOM 0 HA TYR A 27 2.458 -7.705 10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.727 -8.639 8.197 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.194 -8.054 8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.176 -10.110 9.856 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.378 -9.550 10.295 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.311 -12.169 11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.515 -11.613 11.623 1.00 0.00 H new ATOM 0 HH TYR A 27 5.426 -13.323 12.498 1.00 0.00 H new ATOM 394 N ARG A 28 5.402 -6.266 10.717 1.00 0.00 N ATOM 395 CA ARG A 28 6.268 -5.698 11.745 1.00 0.00 C ATOM 396 C ARG A 28 7.000 -4.464 11.237 1.00 0.00 C ATOM 397 O ARG A 28 8.026 -4.061 11.783 1.00 0.00 O ATOM 398 CB ARG A 28 7.280 -6.737 12.203 1.00 0.00 C ATOM 399 CG ARG A 28 7.756 -6.542 13.633 1.00 0.00 C ATOM 400 CD ARG A 28 9.033 -5.719 13.687 1.00 0.00 C ATOM 401 NE ARG A 28 10.021 -6.301 14.593 1.00 0.00 N ATOM 402 CZ ARG A 28 10.610 -7.478 14.390 1.00 0.00 C ATOM 403 NH1 ARG A 28 10.317 -8.198 13.315 1.00 0.00 N ATOM 404 NH2 ARG A 28 11.494 -7.936 15.265 1.00 0.00 N ATOM 0 H ARG A 28 5.809 -6.278 9.782 1.00 0.00 H new ATOM 0 HA ARG A 28 5.639 -5.400 12.584 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.836 -7.728 12.110 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.142 -6.710 11.536 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.977 -6.046 14.212 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.928 -7.514 14.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.459 -5.644 12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.798 -4.705 14.010 1.00 0.00 H new ATOM 0 HE ARG A 28 10.274 -5.775 15.430 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.637 -7.851 12.638 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.772 -9.099 13.165 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.723 -7.387 16.094 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.945 -8.837 15.110 1.00 0.00 H new ATOM 418 N ALA A 29 6.459 -3.876 10.192 1.00 0.00 N ATOM 419 CA ALA A 29 7.044 -2.683 9.591 1.00 0.00 C ATOM 420 C ALA A 29 6.026 -1.944 8.733 1.00 0.00 C ATOM 421 O ALA A 29 5.933 -0.717 8.777 1.00 0.00 O ATOM 422 CB ALA A 29 8.265 -3.054 8.763 1.00 0.00 C ATOM 0 H ALA A 29 5.609 -4.203 9.734 1.00 0.00 H new ATOM 0 HA ALA A 29 7.353 -2.016 10.396 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.692 -2.154 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.008 -3.531 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.972 -3.744 7.972 1.00 0.00 H new ATOM 428 N GLY A 30 5.264 -2.701 7.956 1.00 0.00 N ATOM 429 CA GLY A 30 4.257 -2.108 7.096 1.00 0.00 C ATOM 430 C GLY A 30 4.396 -2.544 5.651 1.00 0.00 C ATOM 431 O GLY A 30 4.221 -1.741 4.733 1.00 0.00 O ATOM 0 H GLY A 30 5.325 -3.718 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.267 -2.381 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.330 -1.022 7.153 1.00 0.00 H new ATOM 435 N ASP A 31 4.709 -3.819 5.447 1.00 0.00 N ATOM 436 CA ASP A 31 4.869 -4.364 4.103 1.00 0.00 C ATOM 437 C ASP A 31 4.032 -5.625 3.929 1.00 0.00 C ATOM 438 O ASP A 31 3.613 -6.243 4.908 1.00 0.00 O ATOM 439 CB ASP A 31 6.341 -4.673 3.825 1.00 0.00 C ATOM 440 CG ASP A 31 6.924 -5.658 4.821 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.403 -5.212 5.884 1.00 0.00 O ATOM 442 OD2 ASP A 31 6.900 -6.873 4.536 1.00 0.00 O ATOM 0 H ASP A 31 4.857 -4.495 6.196 1.00 0.00 H new ATOM 0 HA ASP A 31 4.523 -3.616 3.390 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.440 -5.077 2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.916 -3.747 3.855 1.00 0.00 H new ATOM 447 N MET A 32 3.790 -6.003 2.679 1.00 0.00 N ATOM 448 CA MET A 32 3.001 -7.192 2.382 1.00 0.00 C ATOM 449 C MET A 32 3.901 -8.404 2.175 1.00 0.00 C ATOM 450 O MET A 32 5.075 -8.266 1.832 1.00 0.00 O ATOM 451 CB MET A 32 2.139 -6.964 1.140 1.00 0.00 C ATOM 452 CG MET A 32 0.963 -6.032 1.378 1.00 0.00 C ATOM 453 SD MET A 32 0.624 -4.966 -0.036 1.00 0.00 S ATOM 454 CE MET A 32 0.011 -3.497 0.785 1.00 0.00 C ATOM 0 H MET A 32 4.128 -5.504 1.856 1.00 0.00 H new ATOM 0 HA MET A 32 2.350 -7.386 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.762 -6.553 0.346 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.765 -7.925 0.787 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.076 -6.623 1.603 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.165 -5.415 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.827 -3.088 0.221 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.320 -3.754 1.791 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.806 -2.754 0.843 1.00 0.00 H new ATOM 464 N ILE A 33 3.344 -9.593 2.388 1.00 0.00 N ATOM 465 CA ILE A 33 4.100 -10.828 2.224 1.00 0.00 C ATOM 466 C ILE A 33 3.174 -12.011 1.962 1.00 0.00 C ATOM 467 O ILE A 33 2.172 -12.189 2.653 1.00 0.00 O ATOM 468 CB ILE A 33 4.967 -11.122 3.467 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.850 -12.358 3.230 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.089 -11.296 4.701 1.00 0.00 C ATOM 471 CD1 ILE A 33 5.215 -13.672 3.645 1.00 0.00 C ATOM 0 H ILE A 33 2.374 -9.726 2.674 1.00 0.00 H new ATOM 0 HA ILE A 33 4.752 -10.691 1.362 1.00 0.00 H new ATOM 0 HB ILE A 33 5.625 -10.271 3.642 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.104 -12.410 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.785 -12.232 3.776 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.717 -11.503 5.568 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.520 -10.383 4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.402 -12.127 4.544 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.906 -14.490 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.986 -13.645 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.295 -13.826 3.080 1.00 0.00 H new ATOM 483 N CYS A 34 3.513 -12.817 0.960 1.00 0.00 N ATOM 484 CA CYS A 34 2.704 -13.982 0.612 1.00 0.00 C ATOM 485 C CYS A 34 3.269 -15.241 1.270 1.00 0.00 C ATOM 486 O CYS A 34 4.407 -15.627 1.007 1.00 0.00 O ATOM 487 CB CYS A 34 2.664 -14.147 -0.907 1.00 0.00 C ATOM 488 SG CYS A 34 1.680 -15.545 -1.503 1.00 0.00 S ATOM 0 H CYS A 34 4.339 -12.686 0.376 1.00 0.00 H new ATOM 0 HA CYS A 34 1.689 -13.831 0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.268 -13.231 -1.346 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.685 -14.260 -1.272 1.00 0.00 H new ATOM 493 N PRO A 35 2.484 -15.900 2.143 1.00 0.00 N ATOM 494 CA PRO A 35 2.925 -17.116 2.838 1.00 0.00 C ATOM 495 C PRO A 35 3.233 -18.268 1.884 1.00 0.00 C ATOM 496 O PRO A 35 3.816 -19.274 2.286 1.00 0.00 O ATOM 497 CB PRO A 35 1.736 -17.474 3.738 1.00 0.00 C ATOM 498 CG PRO A 35 0.567 -16.773 3.136 1.00 0.00 C ATOM 499 CD PRO A 35 1.113 -15.516 2.524 1.00 0.00 C ATOM 0 HA PRO A 35 3.854 -16.946 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.576 -18.552 3.769 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.906 -17.147 4.764 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.083 -17.396 2.384 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.184 -16.545 3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.528 -15.201 1.660 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.108 -14.687 3.232 1.00 0.00 H new ATOM 507 N GLU A 36 2.836 -18.122 0.623 1.00 0.00 N ATOM 508 CA GLU A 36 3.072 -19.161 -0.371 1.00 0.00 C ATOM 509 C GLU A 36 4.416 -18.964 -1.078 1.00 0.00 C ATOM 510 O GLU A 36 5.374 -19.683 -0.798 1.00 0.00 O ATOM 511 CB GLU A 36 1.928 -19.190 -1.382 1.00 0.00 C ATOM 512 CG GLU A 36 1.799 -20.515 -2.114 1.00 0.00 C ATOM 513 CD GLU A 36 1.660 -21.691 -1.168 1.00 0.00 C ATOM 514 OE1 GLU A 36 0.559 -21.877 -0.607 1.00 0.00 O ATOM 515 OE2 GLU A 36 2.652 -22.429 -0.987 1.00 0.00 O ATOM 0 H GLU A 36 2.352 -17.298 0.268 1.00 0.00 H new ATOM 0 HA GLU A 36 3.111 -20.121 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.992 -18.977 -0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.078 -18.394 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.932 -20.479 -2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.674 -20.663 -2.747 1.00 0.00 H new ATOM 522 N CYS A 37 4.492 -17.991 -1.990 1.00 0.00 N ATOM 523 CA CYS A 37 5.740 -17.734 -2.708 1.00 0.00 C ATOM 524 C CYS A 37 6.750 -17.032 -1.807 1.00 0.00 C ATOM 525 O CYS A 37 7.957 -17.111 -2.036 1.00 0.00 O ATOM 526 CB CYS A 37 5.507 -16.888 -3.968 1.00 0.00 C ATOM 527 SG CYS A 37 4.561 -15.375 -3.704 1.00 0.00 S ATOM 0 H CYS A 37 3.717 -17.378 -2.245 1.00 0.00 H new ATOM 0 HA CYS A 37 6.137 -18.703 -3.011 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.475 -16.624 -4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.989 -17.499 -4.707 1.00 0.00 H new ATOM 532 N GLY A 38 6.251 -16.342 -0.787 1.00 0.00 N ATOM 533 CA GLY A 38 7.130 -15.635 0.123 1.00 0.00 C ATOM 534 C GLY A 38 7.675 -14.360 -0.486 1.00 0.00 C ATOM 535 O GLY A 38 8.869 -14.077 -0.383 1.00 0.00 O ATOM 0 H GLY A 38 5.257 -16.260 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.588 -15.396 1.038 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.959 -16.285 0.404 1.00 0.00 H new ATOM 539 N LEU A 39 6.800 -13.586 -1.121 1.00 0.00 N ATOM 540 CA LEU A 39 7.207 -12.334 -1.745 1.00 0.00 C ATOM 541 C LEU A 39 6.998 -11.169 -0.787 1.00 0.00 C ATOM 542 O LEU A 39 6.382 -11.326 0.266 1.00 0.00 O ATOM 543 CB LEU A 39 6.432 -12.106 -3.050 1.00 0.00 C ATOM 544 CG LEU A 39 5.058 -11.443 -2.898 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.091 -10.017 -3.427 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.989 -12.253 -3.618 1.00 0.00 C ATOM 0 H LEU A 39 5.808 -13.804 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 39 8.269 -12.397 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.042 -11.490 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.298 -13.068 -3.545 1.00 0.00 H new ATOM 0 HG LEU A 39 4.809 -11.412 -1.837 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.107 -9.563 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.826 -9.438 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.364 -10.027 -4.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.021 -11.766 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.234 -12.318 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.945 -13.256 -3.194 1.00 0.00 H new ATOM 558 N VAL A 40 7.516 -10.004 -1.159 1.00 0.00 N ATOM 559 CA VAL A 40 7.386 -8.812 -0.332 1.00 0.00 C ATOM 560 C VAL A 40 7.110 -7.578 -1.183 1.00 0.00 C ATOM 561 O VAL A 40 7.966 -7.136 -1.950 1.00 0.00 O ATOM 562 CB VAL A 40 8.654 -8.568 0.506 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.425 -7.447 1.508 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.082 -9.845 1.214 1.00 0.00 C ATOM 0 H VAL A 40 8.030 -9.860 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 40 6.543 -8.984 0.338 1.00 0.00 H new ATOM 0 HB VAL A 40 9.457 -8.266 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.332 -7.289 2.091 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.171 -6.530 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.607 -7.717 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.980 -9.652 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.282 -10.181 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.291 -10.618 0.475 1.00 0.00 H new ATOM 574 N VAL A 41 5.910 -7.026 -1.041 1.00 0.00 N ATOM 575 CA VAL A 41 5.520 -5.841 -1.795 1.00 0.00 C ATOM 576 C VAL A 41 5.741 -4.573 -0.978 1.00 0.00 C ATOM 577 O VAL A 41 5.285 -4.469 0.161 1.00 0.00 O ATOM 578 CB VAL A 41 4.042 -5.907 -2.225 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.725 -4.803 -3.220 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.715 -7.273 -2.809 1.00 0.00 C ATOM 0 H VAL A 41 5.191 -7.380 -0.411 1.00 0.00 H new ATOM 0 HA VAL A 41 6.149 -5.813 -2.685 1.00 0.00 H new ATOM 0 HB VAL A 41 3.420 -5.758 -1.343 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.677 -4.866 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.916 -3.833 -2.761 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.355 -4.917 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.667 -7.300 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.344 -7.457 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.899 -8.043 -2.059 1.00 0.00 H new ATOM 590 N GLY A 42 6.442 -3.610 -1.568 1.00 0.00 N ATOM 591 CA GLY A 42 6.712 -2.361 -0.881 1.00 0.00 C ATOM 592 C GLY A 42 7.623 -2.540 0.317 1.00 0.00 C ATOM 593 O GLY A 42 7.192 -3.019 1.366 1.00 0.00 O ATOM 0 H GLY A 42 6.828 -3.673 -2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.169 -1.658 -1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.771 -1.919 -0.554 1.00 0.00 H new ATOM 597 N ASP A 43 8.885 -2.155 0.162 1.00 0.00 N ATOM 598 CA ASP A 43 9.860 -2.276 1.240 1.00 0.00 C ATOM 599 C ASP A 43 10.278 -0.903 1.754 1.00 0.00 C ATOM 600 O ASP A 43 10.546 -0.730 2.943 1.00 0.00 O ATOM 601 CB ASP A 43 11.089 -3.051 0.758 1.00 0.00 C ATOM 602 CG ASP A 43 11.624 -3.999 1.814 1.00 0.00 C ATOM 603 OD1 ASP A 43 11.304 -3.803 3.006 1.00 0.00 O ATOM 604 OD2 ASP A 43 12.363 -4.937 1.449 1.00 0.00 O ATOM 0 H ASP A 43 9.257 -1.756 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 43 9.393 -2.822 2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.831 -3.617 -0.137 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.872 -2.347 0.475 1.00 0.00 H new ATOM 609 N ARG A 44 10.332 0.070 0.852 1.00 0.00 N ATOM 610 CA ARG A 44 10.718 1.429 1.214 1.00 0.00 C ATOM 611 C ARG A 44 9.517 2.215 1.734 1.00 0.00 C ATOM 612 O ARG A 44 8.370 1.881 1.440 1.00 0.00 O ATOM 613 CB ARG A 44 11.331 2.146 0.010 1.00 0.00 C ATOM 614 CG ARG A 44 12.525 1.420 -0.587 1.00 0.00 C ATOM 615 CD ARG A 44 13.836 1.957 -0.037 1.00 0.00 C ATOM 616 NE ARG A 44 14.226 1.287 1.202 1.00 0.00 N ATOM 617 CZ ARG A 44 15.462 1.305 1.697 1.00 0.00 C ATOM 618 NH1 ARG A 44 16.429 1.958 1.065 1.00 0.00 N ATOM 619 NH2 ARG A 44 15.731 0.669 2.829 1.00 0.00 N ATOM 0 H ARG A 44 10.113 -0.057 -0.136 1.00 0.00 H new ATOM 0 HA ARG A 44 11.462 1.370 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 44 10.567 2.265 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 44 11.639 3.147 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.449 0.354 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.513 1.528 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.621 1.828 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.742 3.028 0.144 1.00 0.00 H new ATOM 0 HE ARG A 44 13.510 0.776 1.718 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.228 2.450 0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.374 1.968 1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.991 0.167 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 44 16.678 0.682 3.209 1.00 0.00 H new ATOM 633 N VAL A 45 9.792 3.261 2.507 1.00 0.00 N ATOM 634 CA VAL A 45 8.735 4.094 3.067 1.00 0.00 C ATOM 635 C VAL A 45 8.022 4.887 1.974 1.00 0.00 C ATOM 636 O VAL A 45 8.438 5.988 1.618 1.00 0.00 O ATOM 637 CB VAL A 45 9.292 5.069 4.125 1.00 0.00 C ATOM 638 CG1 VAL A 45 10.363 5.964 3.522 1.00 0.00 C ATOM 639 CG2 VAL A 45 8.172 5.899 4.736 1.00 0.00 C ATOM 0 H VAL A 45 10.737 3.551 2.759 1.00 0.00 H new ATOM 0 HA VAL A 45 8.020 3.425 3.545 1.00 0.00 H new ATOM 0 HB VAL A 45 9.751 4.482 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 45 10.742 6.643 4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 45 11.181 5.350 3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.935 6.542 2.702 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.587 6.580 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.677 6.474 3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.448 5.238 5.213 1.00 0.00 H new ATOM 649 N ILE A 46 6.944 4.316 1.448 1.00 0.00 N ATOM 650 CA ILE A 46 6.171 4.963 0.399 1.00 0.00 C ATOM 651 C ILE A 46 5.425 6.180 0.936 1.00 0.00 C ATOM 652 O ILE A 46 4.253 6.090 1.303 1.00 0.00 O ATOM 653 CB ILE A 46 5.158 3.988 -0.228 1.00 0.00 C ATOM 654 CG1 ILE A 46 4.404 3.221 0.861 1.00 0.00 C ATOM 655 CG2 ILE A 46 5.862 3.025 -1.172 1.00 0.00 C ATOM 656 CD1 ILE A 46 3.065 2.684 0.405 1.00 0.00 C ATOM 0 H ILE A 46 6.587 3.404 1.733 1.00 0.00 H new ATOM 0 HA ILE A 46 6.878 5.285 -0.366 1.00 0.00 H new ATOM 0 HB ILE A 46 4.434 4.565 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.022 2.391 1.203 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.250 3.878 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.132 2.343 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.351 3.587 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.608 2.454 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.587 2.152 1.228 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.429 3.511 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.213 2.001 -0.432 1.00 0.00 H new ATOM 668 N ASP A 47 6.111 7.317 0.978 1.00 0.00 N ATOM 669 CA ASP A 47 5.513 8.553 1.469 1.00 0.00 C ATOM 670 C ASP A 47 5.086 8.412 2.927 1.00 0.00 C ATOM 671 O ASP A 47 4.902 7.301 3.424 1.00 0.00 O ATOM 672 CB ASP A 47 4.309 8.940 0.609 1.00 0.00 C ATOM 673 CG ASP A 47 4.089 10.440 0.561 1.00 0.00 C ATOM 674 OD1 ASP A 47 3.715 11.017 1.602 1.00 0.00 O ATOM 675 OD2 ASP A 47 4.291 11.035 -0.518 1.00 0.00 O ATOM 0 H ASP A 47 7.082 7.408 0.678 1.00 0.00 H new ATOM 0 HA ASP A 47 6.265 9.339 1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.454 8.565 -0.404 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.415 8.457 1.003 1.00 0.00 H new ATOM 680 N VAL A 48 4.931 9.545 3.605 1.00 0.00 N ATOM 681 CA VAL A 48 4.526 9.548 5.006 1.00 0.00 C ATOM 682 C VAL A 48 3.391 10.538 5.247 1.00 0.00 C ATOM 683 O VAL A 48 3.610 11.749 5.284 1.00 0.00 O ATOM 684 CB VAL A 48 5.703 9.902 5.933 1.00 0.00 C ATOM 685 CG1 VAL A 48 5.318 9.700 7.389 1.00 0.00 C ATOM 686 CG2 VAL A 48 6.929 9.073 5.578 1.00 0.00 C ATOM 0 H VAL A 48 5.080 10.472 3.207 1.00 0.00 H new ATOM 0 HA VAL A 48 4.183 8.539 5.237 1.00 0.00 H new ATOM 0 HB VAL A 48 5.949 10.954 5.791 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.163 9.956 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.471 10.341 7.634 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.043 8.658 7.551 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.751 9.336 6.243 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.697 8.014 5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.218 9.274 4.546 1.00 0.00 H new ATOM 696 N GLY A 49 2.181 10.016 5.409 1.00 0.00 N ATOM 697 CA GLY A 49 1.031 10.869 5.644 1.00 0.00 C ATOM 698 C GLY A 49 0.586 11.602 4.394 1.00 0.00 C ATOM 699 O GLY A 49 -0.301 11.140 3.678 1.00 0.00 O ATOM 0 H GLY A 49 1.975 9.017 5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.205 10.265 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.274 11.595 6.420 1.00 0.00 H new ATOM 703 N SER A 50 1.202 12.750 4.133 1.00 0.00 N ATOM 704 CA SER A 50 0.865 13.550 2.962 1.00 0.00 C ATOM 705 C SER A 50 2.105 13.839 2.123 1.00 0.00 C ATOM 706 O SER A 50 3.161 14.183 2.655 1.00 0.00 O ATOM 707 CB SER A 50 0.206 14.864 3.389 1.00 0.00 C ATOM 708 OG SER A 50 -1.132 14.652 3.804 1.00 0.00 O ATOM 0 H SER A 50 1.938 13.147 4.717 1.00 0.00 H new ATOM 0 HA SER A 50 0.163 12.979 2.354 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.776 15.313 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.225 15.571 2.559 1.00 0.00 H new ATOM 0 HG SER A 50 -1.530 15.506 4.073 1.00 0.00 H new ATOM 714 N GLU A 51 1.970 13.697 0.809 1.00 0.00 N ATOM 715 CA GLU A 51 3.079 13.945 -0.105 1.00 0.00 C ATOM 716 C GLU A 51 3.423 15.430 -0.155 1.00 0.00 C ATOM 717 O GLU A 51 3.158 16.106 -1.149 1.00 0.00 O ATOM 718 CB GLU A 51 2.733 13.439 -1.507 1.00 0.00 C ATOM 719 CG GLU A 51 1.506 14.106 -2.108 1.00 0.00 C ATOM 720 CD GLU A 51 0.811 13.233 -3.133 1.00 0.00 C ATOM 721 OE1 GLU A 51 1.501 12.710 -4.034 1.00 0.00 O ATOM 722 OE2 GLU A 51 -0.424 13.071 -3.037 1.00 0.00 O ATOM 0 H GLU A 51 1.104 13.411 0.353 1.00 0.00 H new ATOM 0 HA GLU A 51 3.950 13.404 0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.586 13.605 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.568 12.362 -1.465 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.804 14.353 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.800 15.045 -2.576 1.00 0.00 H new ATOM 729 N TRP A 52 4.013 15.931 0.925 1.00 0.00 N ATOM 730 CA TRP A 52 4.393 17.337 1.005 1.00 0.00 C ATOM 731 C TRP A 52 3.173 18.240 0.852 1.00 0.00 C ATOM 732 O TRP A 52 2.658 18.423 -0.251 1.00 0.00 O ATOM 733 CB TRP A 52 5.426 17.671 -0.072 1.00 0.00 C ATOM 734 CG TRP A 52 6.590 16.728 -0.093 1.00 0.00 C ATOM 735 CD1 TRP A 52 6.956 15.900 -1.116 1.00 0.00 C ATOM 736 CD2 TRP A 52 7.541 16.515 0.957 1.00 0.00 C ATOM 737 NE1 TRP A 52 8.077 15.186 -0.766 1.00 0.00 N ATOM 738 CE2 TRP A 52 8.455 15.545 0.501 1.00 0.00 C ATOM 739 CE3 TRP A 52 7.709 17.050 2.237 1.00 0.00 C ATOM 740 CZ2 TRP A 52 9.520 15.101 1.281 1.00 0.00 C ATOM 741 CZ3 TRP A 52 8.767 16.608 3.010 1.00 0.00 C ATOM 742 CH2 TRP A 52 9.659 15.643 2.530 1.00 0.00 C ATOM 0 H TRP A 52 4.238 15.385 1.757 1.00 0.00 H new ATOM 0 HA TRP A 52 4.833 17.512 1.987 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.940 17.658 -1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.792 18.685 0.088 1.00 0.00 H new ATOM 0 HD1 TRP A 52 6.440 15.818 -2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.551 14.500 -1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.025 17.795 2.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 10.211 14.356 0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.907 17.015 4.001 1.00 0.00 H new ATOM 0 HH2 TRP A 52 10.475 15.319 3.159 1.00 0.00 H new ATOM 753 N ARG A 53 2.716 18.803 1.965 1.00 0.00 N ATOM 754 CA ARG A 53 1.557 19.688 1.954 1.00 0.00 C ATOM 755 C ARG A 53 1.987 21.147 1.844 1.00 0.00 C ATOM 756 O ARG A 53 1.416 21.918 1.072 1.00 0.00 O ATOM 757 CB ARG A 53 0.719 19.481 3.219 1.00 0.00 C ATOM 758 CG ARG A 53 -0.748 19.194 2.937 1.00 0.00 C ATOM 759 CD ARG A 53 -1.605 20.440 3.102 1.00 0.00 C ATOM 760 NE ARG A 53 -2.635 20.265 4.123 1.00 0.00 N ATOM 761 CZ ARG A 53 -3.641 19.399 4.019 1.00 0.00 C ATOM 762 NH1 ARG A 53 -3.756 18.630 2.943 1.00 0.00 N ATOM 763 NH2 ARG A 53 -4.535 19.302 4.993 1.00 0.00 N ATOM 0 H ARG A 53 3.130 18.662 2.886 1.00 0.00 H new ATOM 0 HA ARG A 53 0.951 19.442 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.139 18.654 3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.793 20.371 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.856 18.810 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.103 18.416 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.969 21.284 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.076 20.685 2.150 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.580 20.839 4.964 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.071 18.701 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.529 17.968 2.869 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.452 19.891 5.822 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.306 18.639 4.914 1.00 0.00 H new ATOM 777 N THR A 54 2.999 21.520 2.622 1.00 0.00 N ATOM 778 CA THR A 54 3.507 22.887 2.614 1.00 0.00 C ATOM 779 C THR A 54 4.801 22.989 3.414 1.00 0.00 C ATOM 780 O THR A 54 4.903 22.457 4.520 1.00 0.00 O ATOM 781 CB THR A 54 2.463 23.846 3.186 1.00 0.00 C ATOM 782 OG1 THR A 54 2.984 25.160 3.277 1.00 0.00 O ATOM 783 CG2 THR A 54 1.976 23.449 4.563 1.00 0.00 C ATOM 0 H THR A 54 3.483 20.894 3.266 1.00 0.00 H new ATOM 0 HA THR A 54 3.716 23.165 1.581 1.00 0.00 H new ATOM 0 HB THR A 54 1.622 23.802 2.494 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.300 25.758 3.644 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.237 24.172 4.910 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.522 22.459 4.517 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.818 23.430 5.255 1.00 0.00 H new ATOM 791 N PHE A 55 5.789 23.675 2.848 1.00 0.00 N ATOM 792 CA PHE A 55 7.078 23.845 3.510 1.00 0.00 C ATOM 793 C PHE A 55 7.839 25.031 2.920 1.00 0.00 C ATOM 794 O PHE A 55 9.046 24.956 2.690 1.00 0.00 O ATOM 795 CB PHE A 55 7.909 22.565 3.387 1.00 0.00 C ATOM 796 CG PHE A 55 8.121 21.859 4.697 1.00 0.00 C ATOM 797 CD1 PHE A 55 8.752 22.501 5.749 1.00 0.00 C ATOM 798 CD2 PHE A 55 7.687 20.555 4.874 1.00 0.00 C ATOM 799 CE1 PHE A 55 8.948 21.856 6.956 1.00 0.00 C ATOM 800 CE2 PHE A 55 7.880 19.904 6.078 1.00 0.00 C ATOM 801 CZ PHE A 55 8.511 20.556 7.120 1.00 0.00 C ATOM 0 H PHE A 55 5.722 24.122 1.934 1.00 0.00 H new ATOM 0 HA PHE A 55 6.897 24.047 4.566 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.414 21.885 2.693 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.879 22.811 2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.095 23.518 5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.193 20.042 4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.442 22.368 7.769 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.538 18.887 6.204 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.662 20.050 8.062 1.00 0.00 H new ATOM 811 N SER A 56 7.123 26.124 2.678 1.00 0.00 N ATOM 812 CA SER A 56 7.731 27.325 2.116 1.00 0.00 C ATOM 813 C SER A 56 8.069 28.330 3.212 1.00 0.00 C ATOM 814 O SER A 56 9.075 29.034 3.134 1.00 0.00 O ATOM 815 CB SER A 56 6.791 27.966 1.092 1.00 0.00 C ATOM 816 OG SER A 56 6.744 27.206 -0.102 1.00 0.00 O ATOM 0 H SER A 56 6.123 26.203 2.862 1.00 0.00 H new ATOM 0 HA SER A 56 8.656 27.034 1.619 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.789 28.048 1.514 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.127 28.979 0.869 1.00 0.00 H new ATOM 0 HG SER A 56 6.136 27.635 -0.739 1.00 0.00 H new ATOM 822 N ASN A 57 7.220 28.393 4.234 1.00 0.00 N ATOM 823 CA ASN A 57 7.430 29.314 5.346 1.00 0.00 C ATOM 824 C ASN A 57 7.867 28.564 6.600 1.00 0.00 C ATOM 825 O ASN A 57 7.116 27.756 7.146 1.00 0.00 O ATOM 826 CB ASN A 57 6.151 30.103 5.630 1.00 0.00 C ATOM 827 CG ASN A 57 5.857 31.133 4.557 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.114 30.869 3.613 1.00 0.00 O ATOM 829 ND2 ASN A 57 6.443 32.316 4.698 1.00 0.00 N ATOM 0 H ASN A 57 6.381 27.818 4.315 1.00 0.00 H new ATOM 0 HA ASN A 57 8.223 30.008 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.311 29.413 5.707 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.242 30.603 6.594 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.284 33.049 4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.052 32.491 5.497 1.00 0.00 H new ATOM 836 N ASP A 58 9.087 28.839 7.052 1.00 0.00 N ATOM 837 CA ASP A 58 9.624 28.192 8.244 1.00 0.00 C ATOM 838 C ASP A 58 9.667 26.677 8.070 1.00 0.00 C ATOM 839 O ASP A 58 9.028 26.127 7.172 1.00 0.00 O ATOM 840 CB ASP A 58 8.783 28.554 9.470 1.00 0.00 C ATOM 841 CG ASP A 58 9.635 28.895 10.675 1.00 0.00 C ATOM 842 OD1 ASP A 58 10.087 27.959 11.367 1.00 0.00 O ATOM 843 OD2 ASP A 58 9.851 30.100 10.928 1.00 0.00 O ATOM 0 H ASP A 58 9.722 29.505 6.611 1.00 0.00 H new ATOM 0 HA ASP A 58 10.643 28.550 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.142 29.402 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.127 27.719 9.717 1.00 0.00 H new ATOM 848 N LYS A 59 10.423 26.009 8.935 1.00 0.00 N ATOM 849 CA LYS A 59 10.549 24.556 8.877 1.00 0.00 C ATOM 850 C LYS A 59 11.147 24.010 10.170 1.00 0.00 C ATOM 851 O LYS A 59 10.758 22.941 10.641 1.00 0.00 O ATOM 852 CB LYS A 59 11.417 24.146 7.687 1.00 0.00 C ATOM 853 CG LYS A 59 12.788 24.802 7.679 1.00 0.00 C ATOM 854 CD LYS A 59 13.123 25.387 6.315 1.00 0.00 C ATOM 855 CE LYS A 59 14.427 26.168 6.348 1.00 0.00 C ATOM 856 NZ LYS A 59 14.599 27.010 5.132 1.00 0.00 N ATOM 857 OXT LYS A 59 12.169 24.749 10.843 1.00 0.00 O ATOM 0 H LYS A 59 10.957 26.449 9.684 1.00 0.00 H new ATOM 0 HA LYS A 59 9.552 24.134 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.542 23.063 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.896 24.400 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.819 25.591 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.545 24.068 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.197 24.584 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.314 26.041 5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.449 26.802 7.235 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.264 25.475 6.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.500 27.527 5.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 14.604 26.403 4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.814 27.689 5.066 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.315 -15.879 -3.682 1.00 0.00 ZN