USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 278 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 29 ASN : amide:sc= 0.461 K(o=0.46,f=-1.1) USER MOD Set 1.2: A 33 GLN :FLIP amide:sc= 0.00145 F(o=-1.1,f=0.46) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 162:sc= -1.63! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.637 F(o=-1.6,f=-0.64) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 146:sc= 1.24 (180deg=0.932) USER MOD Single : A 23 SER OG : rot 24:sc= 0.0825 USER MOD Single : A 28 LYS NZ :NH3+ 138:sc= 1.19 (180deg=0.106) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.908 -6.614 -2.992 1.00 0.00 N ATOM 43 CA TYR A 5 2.796 -5.513 -2.638 1.00 0.00 C ATOM 44 C TYR A 5 3.946 -5.988 -1.762 1.00 0.00 C ATOM 45 O TYR A 5 5.016 -5.379 -1.738 1.00 0.00 O ATOM 46 CB TYR A 5 2.018 -4.422 -1.911 1.00 0.00 C ATOM 47 CG TYR A 5 0.753 -4.007 -2.619 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.785 -3.044 -3.612 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.473 -4.571 -2.288 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.364 -2.647 -4.257 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.630 -4.181 -2.929 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.573 -3.216 -3.913 1.00 0.00 C ATOM 53 OH TYR A 5 -2.723 -2.823 -4.557 1.00 0.00 O ATOM 0 HA TYR A 5 3.211 -5.112 -3.562 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.766 -4.773 -0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.660 -3.549 -1.790 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.729 -2.596 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.520 -5.326 -1.517 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.320 -1.893 -5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.576 -4.629 -2.662 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.486 -3.321 -4.197 1.00 0.00 H new ATOM 63 N SER A 6 3.719 -7.080 -1.041 1.00 0.00 N ATOM 64 CA SER A 6 4.732 -7.641 -0.160 1.00 0.00 C ATOM 65 C SER A 6 6.058 -7.832 -0.896 1.00 0.00 C ATOM 66 O SER A 6 7.121 -7.879 -0.277 1.00 0.00 O ATOM 67 CB SER A 6 4.237 -8.968 0.414 1.00 0.00 C ATOM 68 OG SER A 6 5.101 -9.439 1.433 1.00 0.00 O ATOM 0 H SER A 6 2.838 -7.595 -1.051 1.00 0.00 H new ATOM 0 HA SER A 6 4.907 -6.942 0.658 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.232 -8.841 0.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.171 -9.710 -0.382 1.00 0.00 H new ATOM 0 HG SER A 6 4.760 -10.288 1.784 1.00 0.00 H new ATOM 74 N SER A 7 5.989 -7.932 -2.223 1.00 0.00 N ATOM 75 CA SER A 7 7.184 -8.104 -3.042 1.00 0.00 C ATOM 76 C SER A 7 7.570 -6.792 -3.726 1.00 0.00 C ATOM 77 O SER A 7 8.729 -6.587 -4.087 1.00 0.00 O ATOM 78 CB SER A 7 6.956 -9.191 -4.093 1.00 0.00 C ATOM 79 OG SER A 7 6.200 -10.265 -3.561 1.00 0.00 O ATOM 0 H SER A 7 5.118 -7.897 -2.752 1.00 0.00 H new ATOM 0 HA SER A 7 8.001 -8.407 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.436 -8.767 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.916 -9.561 -4.452 1.00 0.00 H new ATOM 0 HG SER A 7 6.067 -10.946 -4.253 1.00 0.00 H new ATOM 85 N LEU A 8 6.589 -5.905 -3.900 1.00 0.00 N ATOM 86 CA LEU A 8 6.824 -4.613 -4.540 1.00 0.00 C ATOM 87 C LEU A 8 7.884 -3.817 -3.783 1.00 0.00 C ATOM 88 O LEU A 8 8.583 -4.356 -2.925 1.00 0.00 O ATOM 89 CB LEU A 8 5.519 -3.812 -4.603 1.00 0.00 C ATOM 90 CG LEU A 8 4.925 -3.635 -6.001 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.745 -4.570 -6.196 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.499 -2.190 -6.223 1.00 0.00 C ATOM 0 H LEU A 8 5.625 -6.059 -3.606 1.00 0.00 H new ATOM 0 HA LEU A 8 7.185 -4.794 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.779 -4.305 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.697 -2.826 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 8 5.692 -3.884 -6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.333 -4.432 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.075 -5.602 -6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.978 -4.348 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.079 -2.084 -7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.748 -1.914 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.365 -1.536 -6.122 1.00 0.00 H new ATOM 104 N THR A 9 7.992 -2.529 -4.100 1.00 0.00 N ATOM 105 CA THR A 9 8.959 -1.659 -3.441 1.00 0.00 C ATOM 106 C THR A 9 8.246 -0.642 -2.561 1.00 0.00 C ATOM 107 O THR A 9 7.084 -0.310 -2.791 1.00 0.00 O ATOM 108 CB THR A 9 9.835 -0.933 -4.468 1.00 0.00 C ATOM 109 OG1 THR A 9 10.299 0.301 -3.945 1.00 0.00 O ATOM 110 CG2 THR A 9 9.127 -0.641 -5.774 1.00 0.00 C ATOM 0 H THR A 9 7.422 -2.066 -4.808 1.00 0.00 H new ATOM 0 HA THR A 9 9.600 -2.283 -2.818 1.00 0.00 H new ATOM 0 HB THR A 9 10.660 -1.616 -4.672 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.067 0.611 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.809 -0.126 -6.451 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.802 -1.577 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.259 -0.009 -5.584 1.00 0.00 H new ATOM 118 N VAL A 10 8.952 -0.146 -1.556 1.00 0.00 N ATOM 119 CA VAL A 10 8.388 0.837 -0.643 1.00 0.00 C ATOM 120 C VAL A 10 7.966 2.094 -1.387 1.00 0.00 C ATOM 121 O VAL A 10 7.016 2.765 -0.994 1.00 0.00 O ATOM 122 CB VAL A 10 9.401 1.233 0.445 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.615 0.088 1.422 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.714 1.663 -0.192 1.00 0.00 C ATOM 0 H VAL A 10 9.916 -0.408 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 10 7.517 0.374 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 10 9.000 2.078 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.335 0.389 2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.668 -0.166 1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.996 -0.781 0.886 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.423 1.941 0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.122 0.838 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.539 2.518 -0.845 1.00 0.00 H new ATOM 134 N VAL A 11 8.684 2.411 -2.459 1.00 0.00 N ATOM 135 CA VAL A 11 8.392 3.597 -3.253 1.00 0.00 C ATOM 136 C VAL A 11 7.098 3.434 -4.038 1.00 0.00 C ATOM 137 O VAL A 11 6.272 4.345 -4.098 1.00 0.00 O ATOM 138 CB VAL A 11 9.547 3.917 -4.225 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.878 3.833 -3.504 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.534 2.978 -5.425 1.00 0.00 C ATOM 0 H VAL A 11 9.474 1.861 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 11 8.277 4.426 -2.555 1.00 0.00 H new ATOM 0 HB VAL A 11 9.407 4.934 -4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.684 4.061 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.893 4.551 -2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.014 2.827 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.359 3.228 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.643 1.949 -5.083 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.590 3.084 -5.960 1.00 0.00 H new ATOM 150 N GLN A 12 6.930 2.264 -4.636 1.00 0.00 N ATOM 151 CA GLN A 12 5.738 1.980 -5.416 1.00 0.00 C ATOM 152 C GLN A 12 4.552 1.770 -4.499 1.00 0.00 C ATOM 153 O GLN A 12 3.444 2.212 -4.789 1.00 0.00 O ATOM 154 CB GLN A 12 5.950 0.746 -6.293 1.00 0.00 C ATOM 155 CG GLN A 12 6.886 0.986 -7.466 1.00 0.00 C ATOM 156 CD GLN A 12 7.107 -0.261 -8.301 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.365 -0.551 -8.610 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.157 -0.955 -8.664 1.00 0.00 N flip ATOM 0 H GLN A 12 7.603 1.499 -4.595 1.00 0.00 H new ATOM 0 HA GLN A 12 5.538 2.834 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.350 -0.061 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.985 0.410 -6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.476 1.774 -8.098 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.846 1.344 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.206 -0.694 -8.403 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.321 -1.791 -9.225 1.00 0.00 H new ATOM 167 N LEU A 13 4.800 1.089 -3.386 1.00 0.00 N ATOM 168 CA LEU A 13 3.757 0.810 -2.416 1.00 0.00 C ATOM 169 C LEU A 13 3.143 2.097 -1.878 1.00 0.00 C ATOM 170 O LEU A 13 1.928 2.276 -1.910 1.00 0.00 O ATOM 171 CB LEU A 13 4.308 -0.037 -1.267 1.00 0.00 C ATOM 172 CG LEU A 13 3.902 -1.514 -1.307 1.00 0.00 C ATOM 173 CD1 LEU A 13 5.028 -2.364 -1.869 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.512 -2.002 0.077 1.00 0.00 C ATOM 0 H LEU A 13 5.718 0.721 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 13 2.972 0.249 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.396 0.027 -1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.972 0.393 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 13 3.036 -1.610 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.720 -3.409 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.262 -2.035 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.912 -2.258 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.227 -3.053 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.358 -1.888 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.670 -1.416 0.446 1.00 0.00 H new ATOM 186 N LYS A 14 3.985 2.992 -1.381 1.00 0.00 N ATOM 187 CA LYS A 14 3.505 4.253 -0.833 1.00 0.00 C ATOM 188 C LYS A 14 3.014 5.191 -1.933 1.00 0.00 C ATOM 189 O LYS A 14 2.106 5.990 -1.711 1.00 0.00 O ATOM 190 CB LYS A 14 4.603 4.932 -0.021 1.00 0.00 C ATOM 191 CG LYS A 14 5.774 5.411 -0.862 1.00 0.00 C ATOM 192 CD LYS A 14 6.781 6.200 -0.036 1.00 0.00 C ATOM 193 CE LYS A 14 6.102 7.246 0.836 1.00 0.00 C ATOM 194 NZ LYS A 14 6.916 8.487 0.952 1.00 0.00 N ATOM 0 H LYS A 14 4.997 2.870 -1.346 1.00 0.00 H new ATOM 0 HA LYS A 14 2.662 4.029 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.177 5.783 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.969 4.235 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.270 4.553 -1.316 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.405 6.034 -1.677 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.350 5.516 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.493 6.688 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.126 7.490 0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.927 6.832 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.418 9.174 1.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.838 8.259 1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.061 8.896 0.007 1.00 0.00 H new ATOM 208 N ASP A 15 3.608 5.090 -3.120 1.00 0.00 N ATOM 209 CA ASP A 15 3.209 5.938 -4.236 1.00 0.00 C ATOM 210 C ASP A 15 1.779 5.617 -4.649 1.00 0.00 C ATOM 211 O ASP A 15 0.919 6.501 -4.739 1.00 0.00 O ATOM 212 CB ASP A 15 4.161 5.740 -5.419 1.00 0.00 C ATOM 213 CG ASP A 15 3.798 6.609 -6.608 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.055 7.595 -6.418 1.00 0.00 O ATOM 215 OD2 ASP A 15 4.257 6.303 -7.729 1.00 0.00 O ATOM 0 H ASP A 15 4.361 4.435 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 15 3.258 6.981 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.179 5.968 -5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.148 4.693 -5.721 1.00 0.00 H new ATOM 220 N LEU A 16 1.517 4.338 -4.867 1.00 0.00 N ATOM 221 CA LEU A 16 0.189 3.903 -5.236 1.00 0.00 C ATOM 222 C LEU A 16 -0.754 4.162 -4.078 1.00 0.00 C ATOM 223 O LEU A 16 -1.913 4.512 -4.274 1.00 0.00 O ATOM 224 CB LEU A 16 0.208 2.415 -5.630 1.00 0.00 C ATOM 225 CG LEU A 16 -0.299 1.414 -4.579 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.214 0.380 -5.217 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.867 0.729 -3.892 1.00 0.00 C ATOM 0 H LEU A 16 2.206 3.590 -4.794 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.162 4.464 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.392 2.294 -6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.232 2.145 -5.890 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.870 1.966 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.561 -0.318 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.071 0.881 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.667 -0.165 -5.986 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.490 0.024 -3.151 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.462 0.194 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.488 1.476 -3.398 1.00 0.00 H new ATOM 239 N LEU A 17 -0.229 3.987 -2.865 1.00 0.00 N ATOM 240 CA LEU A 17 -1.003 4.188 -1.648 1.00 0.00 C ATOM 241 C LEU A 17 -1.673 5.546 -1.630 1.00 0.00 C ATOM 242 O LEU A 17 -2.894 5.648 -1.513 1.00 0.00 O ATOM 243 CB LEU A 17 -0.085 4.087 -0.441 1.00 0.00 C ATOM 244 CG LEU A 17 0.007 2.712 0.192 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.081 2.710 1.268 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.343 2.309 0.759 1.00 0.00 C ATOM 0 H LEU A 17 0.737 3.704 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.774 3.418 -1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.916 4.399 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.427 4.794 0.315 1.00 0.00 H new ATOM 0 HG LEU A 17 0.285 1.980 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.142 1.720 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.042 2.966 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.829 3.443 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.267 1.320 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.650 3.031 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.082 2.286 -0.042 1.00 0.00 H new ATOM 258 N THR A 18 -0.870 6.587 -1.769 1.00 0.00 N ATOM 259 CA THR A 18 -1.407 7.938 -1.791 1.00 0.00 C ATOM 260 C THR A 18 -2.284 8.092 -3.022 1.00 0.00 C ATOM 261 O THR A 18 -3.245 8.860 -3.026 1.00 0.00 O ATOM 262 CB THR A 18 -0.295 8.999 -1.767 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.651 10.125 -2.550 1.00 0.00 O ATOM 264 CG2 THR A 18 1.042 8.502 -2.270 1.00 0.00 C ATOM 0 H THR A 18 0.143 6.526 -1.867 1.00 0.00 H new ATOM 0 HA THR A 18 -2.002 8.097 -0.892 1.00 0.00 H new ATOM 0 HB THR A 18 -0.189 9.261 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.071 10.787 -2.518 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.772 9.310 -2.221 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.378 7.671 -1.650 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.941 8.167 -3.302 1.00 0.00 H new ATOM 272 N LYS A 19 -1.950 7.335 -4.068 1.00 0.00 N ATOM 273 CA LYS A 19 -2.718 7.373 -5.298 1.00 0.00 C ATOM 274 C LYS A 19 -4.095 6.716 -5.117 1.00 0.00 C ATOM 275 O LYS A 19 -5.013 6.973 -5.897 1.00 0.00 O ATOM 276 CB LYS A 19 -1.955 6.680 -6.430 1.00 0.00 C ATOM 277 CG LYS A 19 -0.738 7.455 -6.908 1.00 0.00 C ATOM 278 CD LYS A 19 0.244 6.553 -7.638 1.00 0.00 C ATOM 279 CE LYS A 19 0.839 7.244 -8.855 1.00 0.00 C ATOM 280 NZ LYS A 19 1.630 8.448 -8.478 1.00 0.00 N ATOM 0 H LYS A 19 -1.157 6.694 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.870 8.420 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.637 5.694 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.631 6.526 -7.271 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.055 8.261 -7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.243 7.919 -6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.044 6.259 -6.958 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.262 5.639 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.478 6.544 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.038 7.534 -9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.434 8.553 -9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.025 9.292 -8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.984 8.341 -7.506 1.00 0.00 H new ATOM 351 N SER A 23 -3.112 6.138 2.506 1.00 0.00 N ATOM 352 CA SER A 23 -1.941 6.834 3.012 1.00 0.00 C ATOM 353 C SER A 23 -0.730 5.920 3.050 1.00 0.00 C ATOM 354 O SER A 23 -0.785 4.766 2.625 1.00 0.00 O ATOM 355 CB SER A 23 -2.190 7.399 4.408 1.00 0.00 C ATOM 356 OG SER A 23 -3.320 8.252 4.426 1.00 0.00 O ATOM 0 HA SER A 23 -1.743 7.658 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.339 6.580 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.311 7.950 4.741 1.00 0.00 H new ATOM 0 HG SER A 23 -3.918 8.018 3.686 1.00 0.00 H new ATOM 362 N VAL A 24 0.366 6.459 3.559 1.00 0.00 N ATOM 363 CA VAL A 24 1.611 5.721 3.660 1.00 0.00 C ATOM 364 C VAL A 24 2.194 5.809 5.071 1.00 0.00 C ATOM 365 O VAL A 24 3.253 5.247 5.347 1.00 0.00 O ATOM 366 CB VAL A 24 2.637 6.250 2.642 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.971 6.459 1.291 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.264 7.546 3.139 1.00 0.00 C ATOM 0 H VAL A 24 0.416 7.415 3.911 1.00 0.00 H new ATOM 0 HA VAL A 24 1.393 4.676 3.440 1.00 0.00 H new ATOM 0 HB VAL A 24 3.431 5.512 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.705 6.833 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.568 5.511 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.162 7.182 1.392 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.987 7.905 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.486 8.296 3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.769 7.365 4.088 1.00 0.00 H new ATOM 378 N GLY A 25 1.498 6.511 5.962 1.00 0.00 N ATOM 379 CA GLY A 25 1.966 6.643 7.329 1.00 0.00 C ATOM 380 C GLY A 25 1.852 5.341 8.095 1.00 0.00 C ATOM 381 O GLY A 25 1.143 5.259 9.099 1.00 0.00 O ATOM 0 H GLY A 25 0.620 6.990 5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.005 6.973 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.388 7.415 7.837 1.00 0.00 H new ATOM 385 N GLY A 26 2.554 4.320 7.615 1.00 0.00 N ATOM 386 CA GLY A 26 2.528 3.023 8.257 1.00 0.00 C ATOM 387 C GLY A 26 3.827 2.280 8.041 1.00 0.00 C ATOM 388 O GLY A 26 4.748 2.381 8.850 1.00 0.00 O ATOM 0 H GLY A 26 3.145 4.371 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.350 3.147 9.325 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.700 2.435 7.862 1.00 0.00 H new ATOM 392 N LEU A 27 3.900 1.538 6.938 1.00 0.00 N ATOM 393 CA LEU A 27 5.092 0.773 6.591 1.00 0.00 C ATOM 394 C LEU A 27 4.800 -0.164 5.426 1.00 0.00 C ATOM 395 O LEU A 27 3.645 -0.408 5.101 1.00 0.00 O ATOM 396 CB LEU A 27 5.576 -0.028 7.797 1.00 0.00 C ATOM 397 CG LEU A 27 7.024 0.236 8.211 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.978 -0.366 7.196 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.287 1.730 8.368 1.00 0.00 C ATOM 0 H LEU A 27 3.139 1.451 6.265 1.00 0.00 H new ATOM 0 HA LEU A 27 5.876 1.470 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.926 0.192 8.644 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.465 -1.090 7.577 1.00 0.00 H new ATOM 0 HG LEU A 27 7.193 -0.238 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.006 -0.171 7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.815 -1.442 7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.800 0.082 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.324 1.888 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.098 2.234 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.626 2.137 9.133 1.00 0.00 H new ATOM 411 N LYS A 28 5.851 -0.686 4.798 1.00 0.00 N ATOM 412 CA LYS A 28 5.687 -1.597 3.668 1.00 0.00 C ATOM 413 C LYS A 28 4.671 -2.689 3.993 1.00 0.00 C ATOM 414 O LYS A 28 3.654 -2.825 3.315 1.00 0.00 O ATOM 415 CB LYS A 28 7.029 -2.226 3.290 1.00 0.00 C ATOM 416 CG LYS A 28 7.221 -2.390 1.792 1.00 0.00 C ATOM 417 CD LYS A 28 8.343 -3.366 1.478 1.00 0.00 C ATOM 418 CE LYS A 28 8.011 -4.229 0.272 1.00 0.00 C ATOM 419 NZ LYS A 28 8.528 -5.617 0.421 1.00 0.00 N ATOM 0 H LYS A 28 6.821 -0.495 5.051 1.00 0.00 H new ATOM 0 HA LYS A 28 5.316 -1.021 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.835 -1.608 3.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.111 -3.202 3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.293 -2.743 1.342 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.444 -1.421 1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.264 -2.814 1.289 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.525 -4.003 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.930 -4.258 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.436 -3.778 -0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.811 -6.292 0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.396 -5.726 -0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.739 -5.803 1.422 1.00 0.00 H new ATOM 433 N ASN A 29 4.942 -3.451 5.049 1.00 0.00 N ATOM 434 CA ASN A 29 4.038 -4.515 5.470 1.00 0.00 C ATOM 435 C ASN A 29 2.634 -3.952 5.668 1.00 0.00 C ATOM 436 O ASN A 29 1.644 -4.524 5.208 1.00 0.00 O ATOM 437 CB ASN A 29 4.551 -5.159 6.763 1.00 0.00 C ATOM 438 CG ASN A 29 3.514 -6.034 7.442 1.00 0.00 C ATOM 439 OD1 ASN A 29 3.019 -6.997 6.858 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.182 -5.698 8.683 1.00 0.00 N ATOM 0 H ASN A 29 5.777 -3.352 5.626 1.00 0.00 H new ATOM 0 HA ASN A 29 3.999 -5.282 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.433 -5.758 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.865 -4.376 7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.490 -6.247 9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.619 -4.891 9.127 1.00 0.00 H new ATOM 447 N GLU A 30 2.568 -2.811 6.341 1.00 0.00 N ATOM 448 CA GLU A 30 1.301 -2.141 6.589 1.00 0.00 C ATOM 449 C GLU A 30 0.704 -1.642 5.278 1.00 0.00 C ATOM 450 O GLU A 30 -0.513 -1.535 5.134 1.00 0.00 O ATOM 451 CB GLU A 30 1.503 -0.973 7.555 1.00 0.00 C ATOM 452 CG GLU A 30 1.253 -1.333 9.010 1.00 0.00 C ATOM 453 CD GLU A 30 -0.194 -1.696 9.280 1.00 0.00 C ATOM 454 OE1 GLU A 30 -1.035 -0.775 9.342 1.00 0.00 O ATOM 455 OE2 GLU A 30 -0.486 -2.901 9.427 1.00 0.00 O ATOM 0 H GLU A 30 3.381 -2.330 6.726 1.00 0.00 H new ATOM 0 HA GLU A 30 0.610 -2.853 7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.522 -0.600 7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.836 -0.159 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.892 -2.171 9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.537 -0.492 9.643 1.00 0.00 H new ATOM 462 N TRP A 31 1.581 -1.330 4.327 1.00 0.00 N ATOM 463 CA TRP A 31 1.164 -0.833 3.025 1.00 0.00 C ATOM 464 C TRP A 31 0.510 -1.939 2.211 1.00 0.00 C ATOM 465 O TRP A 31 -0.563 -1.746 1.641 1.00 0.00 O ATOM 466 CB TRP A 31 2.368 -0.240 2.288 1.00 0.00 C ATOM 467 CG TRP A 31 2.861 1.021 2.928 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.224 1.729 3.906 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.085 1.723 2.656 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.965 2.826 4.253 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.111 2.843 3.508 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.162 1.521 1.783 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.161 3.752 3.514 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.206 2.427 1.793 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.200 3.528 2.653 1.00 0.00 C ATOM 0 H TRP A 31 2.591 -1.415 4.438 1.00 0.00 H new ATOM 0 HA TRP A 31 0.422 -0.047 3.165 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.175 -0.973 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.093 -0.036 1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.273 1.462 4.343 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.704 3.519 4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.176 0.673 1.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.157 4.606 4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.041 2.281 1.124 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.032 4.216 2.638 1.00 0.00 H new ATOM 486 N VAL A 32 1.140 -3.106 2.178 1.00 0.00 N ATOM 487 CA VAL A 32 0.581 -4.236 1.452 1.00 0.00 C ATOM 488 C VAL A 32 -0.739 -4.654 2.087 1.00 0.00 C ATOM 489 O VAL A 32 -1.676 -5.051 1.398 1.00 0.00 O ATOM 490 CB VAL A 32 1.547 -5.441 1.417 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.879 -5.914 2.823 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.957 -6.576 0.588 1.00 0.00 C ATOM 0 H VAL A 32 2.029 -3.293 2.641 1.00 0.00 H new ATOM 0 HA VAL A 32 0.416 -3.916 0.423 1.00 0.00 H new ATOM 0 HB VAL A 32 2.475 -5.119 0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.561 -6.763 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.352 -5.103 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.963 -6.215 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.651 -7.416 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.011 -6.894 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.786 -6.231 -0.432 1.00 0.00 H new ATOM 502 N GLN A 33 -0.808 -4.549 3.410 1.00 0.00 N ATOM 503 CA GLN A 33 -2.016 -4.906 4.143 1.00 0.00 C ATOM 504 C GLN A 33 -3.150 -3.928 3.837 1.00 0.00 C ATOM 505 O GLN A 33 -4.266 -4.341 3.523 1.00 0.00 O ATOM 506 CB GLN A 33 -1.737 -4.932 5.647 1.00 0.00 C ATOM 507 CG GLN A 33 -1.765 -6.328 6.247 1.00 0.00 C ATOM 508 CD GLN A 33 -0.394 -6.974 6.285 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.085 -7.413 5.126 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 0.227 -7.077 7.342 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.041 -4.219 3.996 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.325 -5.901 3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.761 -4.484 5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.475 -4.312 6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.166 -6.276 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.442 -6.955 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.180 -6.726 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.149 -7.514 7.352 1.00 0.00 H new ATOM 519 N ARG A 34 -2.862 -2.630 3.936 1.00 0.00 N ATOM 520 CA ARG A 34 -3.870 -1.609 3.672 1.00 0.00 C ATOM 521 C ARG A 34 -4.291 -1.616 2.202 1.00 0.00 C ATOM 522 O ARG A 34 -5.476 -1.487 1.893 1.00 0.00 O ATOM 523 CB ARG A 34 -3.369 -0.222 4.087 1.00 0.00 C ATOM 524 CG ARG A 34 -2.214 0.289 3.259 1.00 0.00 C ATOM 525 CD ARG A 34 -1.924 1.748 3.572 1.00 0.00 C ATOM 526 NE ARG A 34 -1.806 1.999 5.005 1.00 0.00 N ATOM 527 CZ ARG A 34 -2.377 3.025 5.637 1.00 0.00 C ATOM 528 NH1 ARG A 34 -3.109 3.909 4.969 1.00 0.00 N ATOM 529 NH2 ARG A 34 -2.208 3.170 6.943 1.00 0.00 N ATOM 0 H ARG A 34 -1.946 -2.265 4.195 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.747 -1.846 4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.194 0.487 4.017 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.065 -0.255 5.133 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.326 -0.312 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.445 0.179 2.199 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.000 2.046 3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.720 2.370 3.162 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.251 1.347 5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.239 3.807 3.962 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.541 4.690 5.462 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.643 2.498 7.462 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.643 3.954 7.430 1.00 0.00 H new ATOM 543 N LEU A 35 -3.328 -1.788 1.296 1.00 0.00 N ATOM 544 CA LEU A 35 -3.635 -1.832 -0.132 1.00 0.00 C ATOM 545 C LEU A 35 -4.508 -3.043 -0.435 1.00 0.00 C ATOM 546 O LEU A 35 -5.569 -2.923 -1.049 1.00 0.00 O ATOM 547 CB LEU A 35 -2.355 -1.917 -0.967 1.00 0.00 C ATOM 548 CG LEU A 35 -1.439 -0.693 -0.929 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.085 -1.051 -1.512 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.048 0.475 -1.694 1.00 0.00 C ATOM 0 H LEU A 35 -2.340 -1.898 1.523 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.164 -0.915 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.784 -2.782 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.635 -2.103 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.318 -0.386 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.566 -0.177 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.362 -1.855 -0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.208 -1.378 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.374 1.330 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.201 0.188 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.005 0.743 -1.247 1.00 0.00 H new ATOM 562 N ILE A 36 -4.056 -4.213 0.017 1.00 0.00 N ATOM 563 CA ILE A 36 -4.793 -5.454 -0.191 1.00 0.00 C ATOM 564 C ILE A 36 -6.229 -5.306 0.301 1.00 0.00 C ATOM 565 O ILE A 36 -7.169 -5.766 -0.346 1.00 0.00 O ATOM 566 CB ILE A 36 -4.116 -6.638 0.538 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.801 -7.018 -0.151 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.045 -7.845 0.595 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.964 -7.987 0.655 1.00 0.00 C ATOM 0 H ILE A 36 -3.181 -4.325 0.530 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.795 -5.662 -1.261 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.898 -6.321 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.022 -7.460 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.221 -6.114 -0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.546 -8.664 1.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.956 -7.578 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.299 -8.157 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.047 -8.215 0.112 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.714 -7.539 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.527 -8.906 0.818 1.00 0.00 H new ATOM 581 N LYS A 37 -6.388 -4.644 1.441 1.00 0.00 N ATOM 582 CA LYS A 37 -7.704 -4.414 2.013 1.00 0.00 C ATOM 583 C LYS A 37 -8.464 -3.413 1.161 1.00 0.00 C ATOM 584 O LYS A 37 -9.688 -3.471 1.051 1.00 0.00 O ATOM 585 CB LYS A 37 -7.582 -3.902 3.450 1.00 0.00 C ATOM 586 CG LYS A 37 -8.790 -4.221 4.315 1.00 0.00 C ATOM 587 CD LYS A 37 -8.641 -3.644 5.714 1.00 0.00 C ATOM 588 CE LYS A 37 -9.179 -4.596 6.771 1.00 0.00 C ATOM 589 NZ LYS A 37 -8.335 -4.597 7.997 1.00 0.00 N ATOM 0 H LYS A 37 -5.618 -4.257 1.987 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.251 -5.357 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.693 -4.337 3.907 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.435 -2.822 3.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.689 -3.819 3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.919 -5.302 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.590 -3.435 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.172 -2.694 5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.198 -4.311 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.225 -5.605 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.735 -5.258 8.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.369 -4.894 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.311 -3.640 8.403 1.00 0.00 H new ATOM 603 N ASP A 38 -7.719 -2.495 0.553 1.00 0.00 N ATOM 604 CA ASP A 38 -8.310 -1.480 -0.298 1.00 0.00 C ATOM 605 C ASP A 38 -8.899 -2.112 -1.553 1.00 0.00 C ATOM 606 O ASP A 38 -9.992 -1.753 -1.990 1.00 0.00 O ATOM 607 CB ASP A 38 -7.260 -0.438 -0.680 1.00 0.00 C ATOM 608 CG ASP A 38 -7.854 0.721 -1.456 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.666 1.470 -0.874 1.00 0.00 O ATOM 610 OD2 ASP A 38 -7.507 0.879 -2.645 1.00 0.00 O ATOM 0 H ASP A 38 -6.704 -2.437 0.637 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.112 -0.990 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.781 -0.060 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.482 -0.912 -1.278 1.00 0.00 H new ATOM 615 N ASP A 39 -8.164 -3.059 -2.127 1.00 0.00 N ATOM 616 CA ASP A 39 -8.605 -3.751 -3.332 1.00 0.00 C ATOM 617 C ASP A 39 -9.638 -4.825 -2.999 1.00 0.00 C ATOM 618 O ASP A 39 -10.437 -5.215 -3.851 1.00 0.00 O ATOM 619 CB ASP A 39 -7.408 -4.381 -4.047 1.00 0.00 C ATOM 620 CG ASP A 39 -6.950 -3.565 -5.241 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.401 -2.408 -5.378 1.00 0.00 O ATOM 622 OD2 ASP A 39 -6.139 -4.082 -6.037 1.00 0.00 O ATOM 0 H ASP A 39 -7.257 -3.365 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.071 -3.019 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.582 -4.485 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.673 -5.385 -4.377 1.00 0.00 H new ATOM 627 N GLU A 40 -9.619 -5.301 -1.757 1.00 0.00 N ATOM 628 CA GLU A 40 -10.558 -6.330 -1.323 1.00 0.00 C ATOM 629 C GLU A 40 -11.956 -5.755 -1.147 1.00 0.00 C ATOM 630 O GLU A 40 -12.947 -6.485 -1.185 1.00 0.00 O ATOM 631 CB GLU A 40 -10.087 -6.975 -0.017 1.00 0.00 C ATOM 632 CG GLU A 40 -10.200 -8.491 -0.015 1.00 0.00 C ATOM 633 CD GLU A 40 -11.360 -8.988 0.826 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.148 -9.266 2.025 1.00 0.00 O ATOM 635 OE2 GLU A 40 -12.481 -9.100 0.285 1.00 0.00 O ATOM 0 H GLU A 40 -8.967 -4.992 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.596 -7.095 -2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.049 -6.696 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.673 -6.574 0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.321 -8.844 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.272 -8.920 0.363 1.00 0.00 H new