USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 527 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 69:sc= 0.685 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.614 F(o=-2.3!,f=-0.61) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 108:sc= 1.33 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.99 USER MOD Single : A 25 MET CE :methyl -162:sc= -2.57 (180deg=-3.85!) USER MOD Single : A 26 LYS NZ :NH3+ 168:sc= -0.0173 (180deg=-0.187) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0241 (180deg=-0.212) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.475 F(o=-2.3!,f=-0.48) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.34 (180deg=-1.01) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0494 K(o=-0.049,f=-1.5) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -5.39! C(o=-5.4!,f=-5!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -153:sc= -0.144 (180deg=-0.702) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -2.753 2.796 -9.775 1.00 0.00 N ATOM 89 CA GLU A 7 -3.228 4.175 -9.780 1.00 0.00 C ATOM 90 C GLU A 7 -2.768 4.914 -8.527 1.00 0.00 C ATOM 91 O GLU A 7 -3.380 4.797 -7.464 1.00 0.00 O ATOM 92 CB GLU A 7 -4.755 4.212 -9.876 1.00 0.00 C ATOM 93 CG GLU A 7 -5.446 3.202 -8.975 1.00 0.00 C ATOM 94 CD GLU A 7 -6.941 3.131 -9.218 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.477 4.041 -9.885 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.575 2.168 -8.740 1.00 0.00 O ATOM 0 HA GLU A 7 -2.804 4.675 -10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.103 5.213 -9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.050 4.027 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.008 2.217 -9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.263 3.465 -7.933 1.00 0.00 H new ATOM 103 N LEU A 8 -1.687 5.674 -8.659 1.00 0.00 N ATOM 104 CA LEU A 8 -1.144 6.433 -7.538 1.00 0.00 C ATOM 105 C LEU A 8 -1.360 7.930 -7.737 1.00 0.00 C ATOM 106 O LEU A 8 -1.176 8.453 -8.836 1.00 0.00 O ATOM 107 CB LEU A 8 0.348 6.139 -7.373 1.00 0.00 C ATOM 108 CG LEU A 8 0.700 4.810 -6.702 1.00 0.00 C ATOM 109 CD1 LEU A 8 2.171 4.483 -6.906 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.363 4.855 -5.219 1.00 0.00 C ATOM 0 H LEU A 8 -1.169 5.781 -9.531 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.671 6.126 -6.635 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.813 6.160 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.795 6.946 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 8 0.106 4.023 -7.165 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.403 3.534 -6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.382 4.408 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.783 5.272 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.620 3.901 -4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.930 5.654 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.703 5.043 -5.094 1.00 0.00 H new ATOM 122 N VAL A 9 -1.749 8.614 -6.666 1.00 0.00 N ATOM 123 CA VAL A 9 -1.986 10.052 -6.722 1.00 0.00 C ATOM 124 C VAL A 9 -1.017 10.804 -5.817 1.00 0.00 C ATOM 125 O VAL A 9 -0.803 10.424 -4.665 1.00 0.00 O ATOM 126 CB VAL A 9 -3.430 10.398 -6.311 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.411 9.959 -7.387 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.771 9.759 -4.973 1.00 0.00 C ATOM 0 H VAL A 9 -1.907 8.196 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.826 10.360 -7.755 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.509 11.480 -6.201 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.426 10.212 -7.079 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.178 10.469 -8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.334 8.882 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.795 10.014 -4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.676 8.676 -5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.087 10.129 -4.209 1.00 0.00 H new ATOM 138 N LEU A 10 -0.434 11.875 -6.345 1.00 0.00 N ATOM 139 CA LEU A 10 0.513 12.683 -5.585 1.00 0.00 C ATOM 140 C LEU A 10 -0.158 13.939 -5.039 1.00 0.00 C ATOM 141 O LEU A 10 -0.904 14.614 -5.748 1.00 0.00 O ATOM 142 CB LEU A 10 1.705 13.068 -6.463 1.00 0.00 C ATOM 143 CG LEU A 10 2.734 14.002 -5.826 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.837 13.201 -5.152 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.317 14.945 -6.869 1.00 0.00 C ATOM 0 H LEU A 10 -0.601 12.204 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 10 0.867 12.088 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.214 12.155 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.326 13.542 -7.369 1.00 0.00 H new ATOM 0 HG LEU A 10 2.232 14.600 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.560 13.883 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.405 12.569 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.337 12.576 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.047 15.602 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.804 14.365 -7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.518 15.544 -7.305 1.00 0.00 H new ATOM 157 N ALA A 11 0.114 14.248 -3.776 1.00 0.00 N ATOM 158 CA ALA A 11 -0.461 15.425 -3.136 1.00 0.00 C ATOM 159 C ALA A 11 0.363 16.672 -3.441 1.00 0.00 C ATOM 160 O ALA A 11 1.571 16.704 -3.201 1.00 0.00 O ATOM 161 CB ALA A 11 -0.564 15.212 -1.633 1.00 0.00 C ATOM 0 H ALA A 11 0.729 13.700 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.463 15.575 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.995 16.099 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.200 14.351 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.430 15.034 -1.222 1.00 0.00 H new ATOM 167 N LEU A 12 -0.296 17.697 -3.970 1.00 0.00 N ATOM 168 CA LEU A 12 0.376 18.947 -4.307 1.00 0.00 C ATOM 169 C LEU A 12 0.420 19.883 -3.104 1.00 0.00 C ATOM 170 O LEU A 12 1.405 20.592 -2.892 1.00 0.00 O ATOM 171 CB LEU A 12 -0.336 19.632 -5.475 1.00 0.00 C ATOM 172 CG LEU A 12 -0.379 18.849 -6.788 1.00 0.00 C ATOM 173 CD1 LEU A 12 -0.990 19.694 -7.894 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.016 18.384 -7.178 1.00 0.00 C ATOM 0 H LEU A 12 -1.295 17.687 -4.175 1.00 0.00 H new ATOM 0 HA LEU A 12 1.400 18.714 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.360 19.851 -5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.152 20.588 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.006 17.969 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.012 19.120 -8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.006 19.976 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.391 20.593 -8.038 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.966 17.829 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.666 19.250 -7.304 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.417 17.740 -6.395 1.00 0.00 H new ATOM 186 N TYR A 13 -0.650 19.880 -2.318 1.00 0.00 N ATOM 187 CA TYR A 13 -0.734 20.729 -1.136 1.00 0.00 C ATOM 188 C TYR A 13 -0.739 19.890 0.138 1.00 0.00 C ATOM 189 O TYR A 13 -0.651 18.663 0.087 1.00 0.00 O ATOM 190 CB TYR A 13 -1.992 21.597 -1.194 1.00 0.00 C ATOM 191 CG TYR A 13 -2.014 22.555 -2.363 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.417 22.134 -3.624 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.632 23.882 -2.207 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.438 23.006 -4.696 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.650 24.761 -3.272 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.054 24.318 -4.515 1.00 0.00 C ATOM 197 OH TYR A 13 -2.074 25.190 -5.579 1.00 0.00 O ATOM 0 H TYR A 13 -1.472 19.298 -2.478 1.00 0.00 H new ATOM 0 HA TYR A 13 0.144 21.375 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.867 20.950 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.074 22.166 -0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.719 21.107 -3.769 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.315 24.232 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.753 22.662 -5.670 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.350 25.789 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.776 26.075 -5.282 1.00 0.00 H new ATOM 207 N ASP A 14 -0.843 20.561 1.280 1.00 0.00 N ATOM 208 CA ASP A 14 -0.861 19.879 2.569 1.00 0.00 C ATOM 209 C ASP A 14 -2.290 19.728 3.083 1.00 0.00 C ATOM 210 O ASP A 14 -3.095 20.656 2.991 1.00 0.00 O ATOM 211 CB ASP A 14 -0.017 20.646 3.588 1.00 0.00 C ATOM 212 CG ASP A 14 -0.375 22.117 3.646 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.108 22.833 2.658 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.924 22.553 4.680 1.00 0.00 O ATOM 0 H ASP A 14 -0.916 21.577 1.339 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.436 18.885 2.433 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.153 20.203 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.038 20.542 3.334 1.00 0.00 H new ATOM 219 N TYR A 15 -2.597 18.555 3.625 1.00 0.00 N ATOM 220 CA TYR A 15 -3.929 18.282 4.151 1.00 0.00 C ATOM 221 C TYR A 15 -3.848 17.651 5.538 1.00 0.00 C ATOM 222 O TYR A 15 -2.949 16.860 5.819 1.00 0.00 O ATOM 223 CB TYR A 15 -4.696 17.359 3.203 1.00 0.00 C ATOM 224 CG TYR A 15 -6.160 17.212 3.551 1.00 0.00 C ATOM 225 CD1 TYR A 15 -7.056 18.248 3.317 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.646 16.040 4.116 1.00 0.00 C ATOM 227 CE1 TYR A 15 -8.395 18.119 3.635 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.983 15.902 4.435 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.853 16.945 4.193 1.00 0.00 C ATOM 230 OH TYR A 15 -10.186 16.812 4.511 1.00 0.00 O ATOM 0 H TYR A 15 -1.942 17.778 3.712 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.461 19.230 4.233 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.610 17.744 2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.229 16.374 3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.700 19.169 2.879 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.967 15.223 4.309 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -9.079 18.934 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.345 14.983 4.871 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.716 16.774 3.688 1.00 0.00 H new ATOM 240 N GLN A 16 -4.795 18.009 6.399 1.00 0.00 N ATOM 241 CA GLN A 16 -4.832 17.478 7.757 1.00 0.00 C ATOM 242 C GLN A 16 -6.043 16.573 7.955 1.00 0.00 C ATOM 243 O GLN A 16 -7.113 16.823 7.402 1.00 0.00 O ATOM 244 CB GLN A 16 -4.863 18.621 8.773 1.00 0.00 C ATOM 245 CG GLN A 16 -6.099 19.500 8.663 1.00 0.00 C ATOM 246 CD GLN A 16 -5.973 20.552 7.579 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.686 20.355 6.477 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 -5.241 21.531 7.730 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.546 18.664 6.181 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.930 16.886 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.813 18.204 9.779 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.975 19.239 8.640 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.968 18.875 8.458 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -6.278 19.990 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.710 21.643 8.594 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.165 22.230 6.991 1.00 0.00 H new ATOM 257 N GLU A 17 -5.866 15.521 8.748 1.00 0.00 N ATOM 258 CA GLU A 17 -6.945 14.578 9.018 1.00 0.00 C ATOM 259 C GLU A 17 -7.733 14.993 10.257 1.00 0.00 C ATOM 260 O GLU A 17 -7.156 15.308 11.298 1.00 0.00 O ATOM 261 CB GLU A 17 -6.384 13.167 9.206 1.00 0.00 C ATOM 262 CG GLU A 17 -5.604 12.989 10.498 1.00 0.00 C ATOM 263 CD GLU A 17 -6.483 12.556 11.655 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.197 11.542 11.510 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.456 13.231 12.706 1.00 0.00 O ATOM 0 H GLU A 17 -4.986 15.300 9.214 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.619 14.582 8.162 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.207 12.452 9.187 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.735 12.928 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.820 12.248 10.345 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.111 13.927 10.753 1.00 0.00 H new ATOM 272 N LYS A 18 -9.057 14.992 10.137 1.00 0.00 N ATOM 273 CA LYS A 18 -9.926 15.367 11.245 1.00 0.00 C ATOM 274 C LYS A 18 -10.573 14.136 11.871 1.00 0.00 C ATOM 275 O LYS A 18 -10.800 14.088 13.080 1.00 0.00 O ATOM 276 CB LYS A 18 -11.009 16.337 10.766 1.00 0.00 C ATOM 277 CG LYS A 18 -11.933 16.813 11.873 1.00 0.00 C ATOM 278 CD LYS A 18 -13.357 16.989 11.374 1.00 0.00 C ATOM 279 CE LYS A 18 -14.372 16.668 12.460 1.00 0.00 C ATOM 280 NZ LYS A 18 -15.666 17.369 12.235 1.00 0.00 N ATOM 0 H LYS A 18 -9.551 14.735 9.282 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.315 15.859 12.002 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.532 17.202 10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.603 15.851 9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.920 16.095 12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.567 17.759 12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.500 18.014 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.525 16.340 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.543 15.592 12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.968 16.955 13.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.331 17.124 12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.508 18.397 12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.065 17.076 11.320 1.00 0.00 H new ATOM 294 N SER A 19 -10.866 13.140 11.040 1.00 0.00 N ATOM 295 CA SER A 19 -11.489 11.909 11.512 1.00 0.00 C ATOM 296 C SER A 19 -10.522 10.734 11.401 1.00 0.00 C ATOM 297 O SER A 19 -9.536 10.776 10.664 1.00 0.00 O ATOM 298 CB SER A 19 -12.759 11.616 10.712 1.00 0.00 C ATOM 299 OG SER A 19 -13.146 12.740 9.940 1.00 0.00 O ATOM 0 H SER A 19 -10.682 13.162 10.037 1.00 0.00 H new ATOM 0 HA SER A 19 -11.752 12.043 12.561 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.591 10.761 10.057 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.566 11.343 11.392 1.00 0.00 H new ATOM 0 HG SER A 19 -12.968 12.563 8.993 1.00 0.00 H new ATOM 305 N PRO A 20 -10.810 9.659 12.149 1.00 0.00 N ATOM 306 CA PRO A 20 -9.979 8.451 12.153 1.00 0.00 C ATOM 307 C PRO A 20 -10.069 7.682 10.839 1.00 0.00 C ATOM 308 O PRO A 20 -9.280 6.771 10.587 1.00 0.00 O ATOM 309 CB PRO A 20 -10.564 7.622 13.299 1.00 0.00 C ATOM 310 CG PRO A 20 -11.976 8.082 13.417 1.00 0.00 C ATOM 311 CD PRO A 20 -11.969 9.540 13.050 1.00 0.00 C ATOM 0 HA PRO A 20 -8.921 8.684 12.274 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.512 6.555 13.082 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.015 7.786 14.226 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.628 7.515 12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.350 7.937 14.430 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.895 9.834 12.555 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.862 10.175 13.929 1.00 0.00 H new ATOM 319 N ARG A 21 -11.035 8.055 10.005 1.00 0.00 N ATOM 320 CA ARG A 21 -11.227 7.399 8.717 1.00 0.00 C ATOM 321 C ARG A 21 -10.402 8.082 7.631 1.00 0.00 C ATOM 322 O ARG A 21 -10.038 7.461 6.633 1.00 0.00 O ATOM 323 CB ARG A 21 -12.708 7.411 8.332 1.00 0.00 C ATOM 324 CG ARG A 21 -13.235 8.793 7.982 1.00 0.00 C ATOM 325 CD ARG A 21 -14.686 8.959 8.405 1.00 0.00 C ATOM 326 NE ARG A 21 -15.059 10.364 8.542 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.278 10.772 8.875 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.237 9.886 9.105 1.00 0.00 N ATOM 329 NH2 ARG A 21 -16.540 12.069 8.980 1.00 0.00 N ATOM 0 H ARG A 21 -11.696 8.807 10.198 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.890 6.366 8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.859 6.748 7.480 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.293 7.007 9.158 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.623 9.551 8.471 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.147 8.956 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.335 8.482 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.848 8.447 9.353 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.344 11.071 8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.039 8.888 9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.173 10.202 9.361 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.805 12.754 8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.477 12.381 9.236 1.00 0.00 H new ATOM 343 N GLU A 22 -10.112 9.364 7.832 1.00 0.00 N ATOM 344 CA GLU A 22 -9.332 10.131 6.869 1.00 0.00 C ATOM 345 C GLU A 22 -7.836 9.953 7.116 1.00 0.00 C ATOM 346 O GLU A 22 -7.409 9.676 8.237 1.00 0.00 O ATOM 347 CB GLU A 22 -9.700 11.614 6.945 1.00 0.00 C ATOM 348 CG GLU A 22 -10.779 12.025 5.958 1.00 0.00 C ATOM 349 CD GLU A 22 -12.177 11.728 6.464 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.363 11.684 7.699 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.085 11.540 5.628 1.00 0.00 O ATOM 0 H GLU A 22 -10.406 9.893 8.653 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.565 9.758 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.037 11.845 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.806 12.211 6.763 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.690 13.092 5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.620 11.504 5.014 1.00 0.00 H new ATOM 358 N VAL A 23 -7.045 10.115 6.060 1.00 0.00 N ATOM 359 CA VAL A 23 -5.597 9.973 6.162 1.00 0.00 C ATOM 360 C VAL A 23 -4.899 11.316 5.975 1.00 0.00 C ATOM 361 O VAL A 23 -5.362 12.169 5.218 1.00 0.00 O ATOM 362 CB VAL A 23 -5.056 8.977 5.119 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.628 7.588 5.360 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.373 9.456 3.711 1.00 0.00 C ATOM 0 H VAL A 23 -7.382 10.344 5.125 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.386 9.592 7.161 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.972 8.921 5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.235 6.898 4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.345 7.246 6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.715 7.624 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.984 8.740 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.453 9.543 3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.910 10.429 3.545 1.00 0.00 H new ATOM 374 N THR A 24 -3.781 11.497 6.671 1.00 0.00 N ATOM 375 CA THR A 24 -3.019 12.736 6.583 1.00 0.00 C ATOM 376 C THR A 24 -2.046 12.701 5.410 1.00 0.00 C ATOM 377 O THR A 24 -1.216 11.799 5.306 1.00 0.00 O ATOM 378 CB THR A 24 -2.231 13.005 7.880 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.109 12.937 9.009 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.561 14.370 7.833 1.00 0.00 C ATOM 0 H THR A 24 -3.383 10.801 7.302 1.00 0.00 H new ATOM 0 HA THR A 24 -3.740 13.539 6.431 1.00 0.00 H new ATOM 0 HB THR A 24 -1.458 12.242 7.975 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.601 13.107 9.829 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.011 14.537 8.759 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.872 14.408 6.990 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.320 15.144 7.717 1.00 0.00 H new ATOM 388 N MET A 25 -2.154 13.690 4.528 1.00 0.00 N ATOM 389 CA MET A 25 -1.281 13.773 3.363 1.00 0.00 C ATOM 390 C MET A 25 -0.637 15.152 3.263 1.00 0.00 C ATOM 391 O MET A 25 -1.249 16.161 3.613 1.00 0.00 O ATOM 392 CB MET A 25 -2.070 13.472 2.086 1.00 0.00 C ATOM 393 CG MET A 25 -3.272 14.381 1.886 1.00 0.00 C ATOM 394 SD MET A 25 -4.049 14.159 0.274 1.00 0.00 S ATOM 395 CE MET A 25 -4.780 15.775 0.026 1.00 0.00 C ATOM 0 H MET A 25 -2.837 14.444 4.598 1.00 0.00 H new ATOM 0 HA MET A 25 -0.491 13.030 3.478 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.406 13.568 1.227 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.409 12.436 2.113 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.005 14.185 2.669 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.959 15.420 1.995 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.547 15.713 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.230 16.118 0.958 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.009 16.479 -0.285 1.00 0.00 H new ATOM 405 N LYS A 26 0.602 15.188 2.783 1.00 0.00 N ATOM 406 CA LYS A 26 1.330 16.442 2.636 1.00 0.00 C ATOM 407 C LYS A 26 1.917 16.570 1.234 1.00 0.00 C ATOM 408 O LYS A 26 2.121 15.572 0.542 1.00 0.00 O ATOM 409 CB LYS A 26 2.447 16.533 3.679 1.00 0.00 C ATOM 410 CG LYS A 26 1.961 16.364 5.108 1.00 0.00 C ATOM 411 CD LYS A 26 1.200 17.589 5.587 1.00 0.00 C ATOM 412 CE LYS A 26 0.705 17.415 7.014 1.00 0.00 C ATOM 413 NZ LYS A 26 1.832 17.280 7.979 1.00 0.00 N ATOM 0 H LYS A 26 1.123 14.362 2.489 1.00 0.00 H new ATOM 0 HA LYS A 26 0.628 17.261 2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.195 15.769 3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.943 17.499 3.585 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.318 15.487 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.813 16.184 5.764 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.846 18.465 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.353 17.773 4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.089 18.271 7.292 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.069 16.532 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.470 17.367 8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.282 16.350 7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.532 18.028 7.802 1.00 0.00 H new ATOM 427 N LYS A 27 2.188 17.803 0.821 1.00 0.00 N ATOM 428 CA LYS A 27 2.754 18.062 -0.497 1.00 0.00 C ATOM 429 C LYS A 27 3.985 17.194 -0.740 1.00 0.00 C ATOM 430 O LYS A 27 5.054 17.446 -0.185 1.00 0.00 O ATOM 431 CB LYS A 27 3.125 19.540 -0.635 1.00 0.00 C ATOM 432 CG LYS A 27 3.837 20.105 0.582 1.00 0.00 C ATOM 433 CD LYS A 27 2.926 21.014 1.389 1.00 0.00 C ATOM 434 CE LYS A 27 2.622 22.304 0.642 1.00 0.00 C ATOM 435 NZ LYS A 27 3.832 23.160 0.498 1.00 0.00 N ATOM 0 H LYS A 27 2.024 18.640 1.381 1.00 0.00 H new ATOM 0 HA LYS A 27 2.000 17.812 -1.244 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.763 19.666 -1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.219 20.118 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.187 19.287 1.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.718 20.662 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.995 20.493 1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.397 21.248 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.225 22.067 -0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.847 22.857 1.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.548 24.116 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.331 23.212 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.464 22.750 -0.219 1.00 0.00 H new ATOM 449 N GLY A 28 3.827 16.171 -1.576 1.00 0.00 N ATOM 450 CA GLY A 28 4.934 15.283 -1.878 1.00 0.00 C ATOM 451 C GLY A 28 4.590 13.826 -1.640 1.00 0.00 C ATOM 452 O GLY A 28 5.207 12.933 -2.221 1.00 0.00 O ATOM 0 H GLY A 28 2.953 15.942 -2.049 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.231 15.418 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.792 15.555 -1.264 1.00 0.00 H new ATOM 456 N ASP A 29 3.604 13.585 -0.783 1.00 0.00 N ATOM 457 CA ASP A 29 3.179 12.226 -0.469 1.00 0.00 C ATOM 458 C ASP A 29 2.426 11.607 -1.642 1.00 0.00 C ATOM 459 O ASP A 29 1.974 12.314 -2.544 1.00 0.00 O ATOM 460 CB ASP A 29 2.297 12.221 0.780 1.00 0.00 C ATOM 461 CG ASP A 29 2.371 10.908 1.535 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.358 10.168 1.344 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.441 10.622 2.319 1.00 0.00 O ATOM 0 H ASP A 29 3.084 14.313 -0.293 1.00 0.00 H new ATOM 0 HA ASP A 29 4.070 11.628 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.601 13.034 1.439 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.263 12.414 0.492 1.00 0.00 H new ATOM 468 N ILE A 30 2.295 10.285 -1.623 1.00 0.00 N ATOM 469 CA ILE A 30 1.596 9.572 -2.685 1.00 0.00 C ATOM 470 C ILE A 30 0.746 8.439 -2.120 1.00 0.00 C ATOM 471 O ILE A 30 1.214 7.646 -1.302 1.00 0.00 O ATOM 472 CB ILE A 30 2.582 8.993 -3.718 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.499 10.095 -4.253 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.825 8.326 -4.857 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.630 9.575 -5.113 1.00 0.00 C ATOM 0 H ILE A 30 2.664 9.686 -0.884 1.00 0.00 H new ATOM 0 HA ILE A 30 0.949 10.297 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 30 3.199 8.240 -3.228 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.905 10.800 -4.835 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.917 10.648 -3.412 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.535 7.922 -5.578 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.210 7.518 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.186 9.060 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.239 10.411 -5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.247 8.893 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.220 9.046 -5.973 1.00 0.00 H new ATOM 487 N LEU A 31 -0.504 8.368 -2.562 1.00 0.00 N ATOM 488 CA LEU A 31 -1.421 7.331 -2.102 1.00 0.00 C ATOM 489 C LEU A 31 -1.959 6.520 -3.277 1.00 0.00 C ATOM 490 O LEU A 31 -1.775 6.889 -4.437 1.00 0.00 O ATOM 491 CB LEU A 31 -2.581 7.955 -1.325 1.00 0.00 C ATOM 492 CG LEU A 31 -2.196 8.826 -0.128 1.00 0.00 C ATOM 493 CD1 LEU A 31 -1.058 8.187 0.653 1.00 0.00 C ATOM 494 CD2 LEU A 31 -1.809 10.224 -0.588 1.00 0.00 C ATOM 0 H LEU A 31 -0.906 9.016 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.870 6.660 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.170 8.560 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.229 7.153 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.061 8.908 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.798 8.821 1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.370 7.207 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.190 8.074 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.538 10.830 0.277 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.959 10.161 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.652 10.684 -1.103 1.00 0.00 H new ATOM 506 N THR A 32 -2.627 5.412 -2.968 1.00 0.00 N ATOM 507 CA THR A 32 -3.193 4.549 -3.997 1.00 0.00 C ATOM 508 C THR A 32 -4.674 4.842 -4.206 1.00 0.00 C ATOM 509 O THR A 32 -5.505 4.539 -3.348 1.00 0.00 O ATOM 510 CB THR A 32 -3.021 3.061 -3.639 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.643 2.778 -3.373 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.517 2.172 -4.769 1.00 0.00 C ATOM 0 H THR A 32 -2.789 5.092 -2.013 1.00 0.00 H new ATOM 0 HA THR A 32 -2.650 4.758 -4.919 1.00 0.00 H new ATOM 0 HB THR A 32 -3.613 2.853 -2.748 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.542 1.830 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.385 1.126 -4.493 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.574 2.369 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.948 2.383 -5.674 1.00 0.00 H new ATOM 520 N LEU A 33 -5.000 5.431 -5.351 1.00 0.00 N ATOM 521 CA LEU A 33 -6.384 5.764 -5.674 1.00 0.00 C ATOM 522 C LEU A 33 -7.263 4.517 -5.654 1.00 0.00 C ATOM 523 O LEU A 33 -7.108 3.623 -6.487 1.00 0.00 O ATOM 524 CB LEU A 33 -6.461 6.435 -7.046 1.00 0.00 C ATOM 525 CG LEU A 33 -7.540 7.505 -7.210 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.901 6.956 -6.812 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.199 8.738 -6.386 1.00 0.00 C ATOM 0 H LEU A 33 -4.325 5.688 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.751 6.457 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.493 6.888 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.626 5.663 -7.797 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.580 7.794 -8.260 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.657 7.732 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.149 6.104 -7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.874 6.638 -5.770 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.978 9.489 -6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.130 8.464 -5.333 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.244 9.145 -6.719 1.00 0.00 H new ATOM 539 N LEU A 34 -8.186 4.465 -4.700 1.00 0.00 N ATOM 540 CA LEU A 34 -9.092 3.329 -4.574 1.00 0.00 C ATOM 541 C LEU A 34 -10.466 3.663 -5.145 1.00 0.00 C ATOM 542 O LEU A 34 -11.103 2.826 -5.784 1.00 0.00 O ATOM 543 CB LEU A 34 -9.223 2.918 -3.106 1.00 0.00 C ATOM 544 CG LEU A 34 -9.161 1.416 -2.822 1.00 0.00 C ATOM 545 CD1 LEU A 34 -7.858 0.829 -3.341 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.312 1.149 -1.332 1.00 0.00 C ATOM 0 H LEU A 34 -8.327 5.196 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.675 2.498 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.430 3.408 -2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.170 3.301 -2.725 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.987 0.932 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.831 -0.240 -3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.790 0.989 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.017 1.317 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.266 0.076 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.507 1.645 -0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.272 1.535 -0.989 1.00 0.00 H new ATOM 558 N ASN A 35 -10.916 4.891 -4.912 1.00 0.00 N ATOM 559 CA ASN A 35 -12.215 5.336 -5.405 1.00 0.00 C ATOM 560 C ASN A 35 -12.158 6.796 -5.846 1.00 0.00 C ATOM 561 O ASN A 35 -11.911 7.690 -5.037 1.00 0.00 O ATOM 562 CB ASN A 35 -13.282 5.159 -4.324 1.00 0.00 C ATOM 563 CG ASN A 35 -14.608 4.690 -4.892 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.355 5.611 -5.490 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -14.956 3.513 -4.794 1.00 0.00 N flip ATOM 0 H ASN A 35 -10.401 5.596 -4.385 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.478 4.724 -6.268 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.931 4.438 -3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.427 6.105 -3.802 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.350 2.839 -4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.850 3.212 -5.181 1.00 0.00 H new ATOM 572 N SER A 36 -12.389 7.029 -7.134 1.00 0.00 N ATOM 573 CA SER A 36 -12.362 8.380 -7.683 1.00 0.00 C ATOM 574 C SER A 36 -13.707 8.740 -8.307 1.00 0.00 C ATOM 575 O SER A 36 -13.793 9.625 -9.159 1.00 0.00 O ATOM 576 CB SER A 36 -11.252 8.505 -8.729 1.00 0.00 C ATOM 577 OG SER A 36 -10.899 7.236 -9.252 1.00 0.00 O ATOM 0 H SER A 36 -12.597 6.300 -7.817 1.00 0.00 H new ATOM 0 HA SER A 36 -12.163 9.074 -6.866 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.582 9.156 -9.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.376 8.973 -8.280 1.00 0.00 H new ATOM 0 HG SER A 36 -10.189 7.343 -9.919 1.00 0.00 H new ATOM 583 N THR A 37 -14.757 8.048 -7.875 1.00 0.00 N ATOM 584 CA THR A 37 -16.098 8.293 -8.390 1.00 0.00 C ATOM 585 C THR A 37 -16.456 9.772 -8.309 1.00 0.00 C ATOM 586 O THR A 37 -17.200 10.287 -9.143 1.00 0.00 O ATOM 587 CB THR A 37 -17.153 7.477 -7.620 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.438 7.635 -8.233 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.222 7.919 -6.166 1.00 0.00 C ATOM 0 H THR A 37 -14.704 7.313 -7.169 1.00 0.00 H new ATOM 0 HA THR A 37 -16.098 7.979 -9.434 1.00 0.00 H new ATOM 0 HB THR A 37 -16.863 6.427 -7.651 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.103 7.112 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.974 7.329 -5.642 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.251 7.771 -5.694 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.491 8.974 -6.119 1.00 0.00 H new ATOM 597 N ASN A 38 -15.921 10.451 -7.300 1.00 0.00 N ATOM 598 CA ASN A 38 -16.185 11.873 -7.111 1.00 0.00 C ATOM 599 C ASN A 38 -15.046 12.718 -7.674 1.00 0.00 C ATOM 600 O ASN A 38 -14.077 12.189 -8.218 1.00 0.00 O ATOM 601 CB ASN A 38 -16.379 12.184 -5.625 1.00 0.00 C ATOM 602 CG ASN A 38 -17.821 12.509 -5.286 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.654 11.614 -5.145 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.121 13.796 -5.153 1.00 0.00 N ATOM 0 H ASN A 38 -15.302 10.040 -6.601 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.099 12.122 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.053 11.329 -5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.745 13.026 -5.347 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.075 14.076 -4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.398 14.504 -5.279 1.00 0.00 H new ATOM 611 N LYS A 39 -15.170 14.034 -7.538 1.00 0.00 N ATOM 612 CA LYS A 39 -14.151 14.953 -8.031 1.00 0.00 C ATOM 613 C LYS A 39 -13.572 15.786 -6.891 1.00 0.00 C ATOM 614 O LYS A 39 -12.399 16.158 -6.916 1.00 0.00 O ATOM 615 CB LYS A 39 -14.741 15.874 -9.101 1.00 0.00 C ATOM 616 CG LYS A 39 -15.431 15.130 -10.231 1.00 0.00 C ATOM 617 CD LYS A 39 -16.942 15.269 -10.150 1.00 0.00 C ATOM 618 CE LYS A 39 -17.419 16.556 -10.806 1.00 0.00 C ATOM 619 NZ LYS A 39 -17.313 17.721 -9.885 1.00 0.00 N ATOM 0 H LYS A 39 -15.966 14.488 -7.090 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.347 14.363 -8.471 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.456 16.550 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.944 16.491 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.080 15.515 -11.189 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.159 14.075 -10.193 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.414 14.415 -10.636 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.254 15.254 -9.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.829 16.747 -11.702 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.455 16.439 -11.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.950 18.477 -10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.581 17.429 -8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.334 18.071 -9.880 1.00 0.00 H new ATOM 633 N ASP A 40 -14.402 16.073 -5.894 1.00 0.00 N ATOM 634 CA ASP A 40 -13.971 16.859 -4.744 1.00 0.00 C ATOM 635 C ASP A 40 -13.324 15.968 -3.688 1.00 0.00 C ATOM 636 O ASP A 40 -12.204 16.226 -3.247 1.00 0.00 O ATOM 637 CB ASP A 40 -15.159 17.609 -4.138 1.00 0.00 C ATOM 638 CG ASP A 40 -15.929 18.406 -5.173 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.308 18.855 -6.158 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.153 18.581 -4.997 1.00 0.00 O ATOM 0 H ASP A 40 -15.376 15.773 -5.859 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.231 17.582 -5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.830 16.895 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.801 18.281 -3.358 1.00 0.00 H new ATOM 645 N TRP A 41 -14.037 14.922 -3.288 1.00 0.00 N ATOM 646 CA TRP A 41 -13.532 13.993 -2.282 1.00 0.00 C ATOM 647 C TRP A 41 -13.058 12.696 -2.928 1.00 0.00 C ATOM 648 O TRP A 41 -13.863 11.915 -3.435 1.00 0.00 O ATOM 649 CB TRP A 41 -14.615 13.695 -1.244 1.00 0.00 C ATOM 650 CG TRP A 41 -14.905 14.853 -0.338 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.027 15.630 -0.334 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.056 15.364 0.696 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.928 16.595 0.640 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.729 16.452 1.286 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.795 15.008 1.182 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.181 17.185 2.335 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.252 15.737 2.223 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.945 16.815 2.791 1.00 0.00 C ATOM 0 H TRP A 41 -14.966 14.695 -3.644 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.682 14.461 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.532 13.407 -1.759 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.306 12.841 -0.642 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.869 15.505 -0.999 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.633 17.302 0.848 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.254 14.178 0.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.713 18.016 2.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.277 15.472 2.605 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.495 17.364 3.604 1.00 0.00 H new ATOM 669 N TRP A 42 -11.749 12.473 -2.907 1.00 0.00 N ATOM 670 CA TRP A 42 -11.169 11.269 -3.491 1.00 0.00 C ATOM 671 C TRP A 42 -10.791 10.266 -2.407 1.00 0.00 C ATOM 672 O TRP A 42 -10.219 10.633 -1.380 1.00 0.00 O ATOM 673 CB TRP A 42 -9.939 11.625 -4.326 1.00 0.00 C ATOM 674 CG TRP A 42 -10.261 11.938 -5.756 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.503 12.112 -6.297 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.328 12.111 -6.827 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.398 12.384 -7.640 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.073 12.389 -7.990 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.934 12.060 -6.918 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.471 12.614 -9.224 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.338 12.283 -8.144 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.105 12.558 -9.284 1.00 0.00 C ATOM 0 H TRP A 42 -11.069 13.110 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.918 10.811 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.440 12.484 -3.877 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.234 10.794 -4.293 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.432 12.046 -5.750 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.179 12.554 -8.273 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.334 11.850 -6.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.061 12.825 -10.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.262 12.245 -8.225 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.609 12.729 -10.228 1.00 0.00 H new ATOM 693 N LYS A 43 -11.113 8.999 -2.641 1.00 0.00 N ATOM 694 CA LYS A 43 -10.805 7.941 -1.686 1.00 0.00 C ATOM 695 C LYS A 43 -9.556 7.174 -2.107 1.00 0.00 C ATOM 696 O LYS A 43 -9.550 6.492 -3.132 1.00 0.00 O ATOM 697 CB LYS A 43 -11.989 6.980 -1.559 1.00 0.00 C ATOM 698 CG LYS A 43 -13.338 7.677 -1.526 1.00 0.00 C ATOM 699 CD LYS A 43 -14.385 6.833 -0.819 1.00 0.00 C ATOM 700 CE LYS A 43 -15.086 5.891 -1.785 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.361 5.366 -1.221 1.00 0.00 N ATOM 0 H LYS A 43 -11.588 8.679 -3.485 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.615 8.404 -0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.971 6.282 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.872 6.391 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.240 8.637 -1.019 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.665 7.886 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.913 6.256 -0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.120 7.484 -0.346 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.290 6.415 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.425 5.058 -2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.808 4.728 -1.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.164 4.845 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.002 6.159 -1.016 1.00 0.00 H new ATOM 715 N VAL A 44 -8.499 7.287 -1.308 1.00 0.00 N ATOM 716 CA VAL A 44 -7.246 6.601 -1.597 1.00 0.00 C ATOM 717 C VAL A 44 -6.904 5.596 -0.503 1.00 0.00 C ATOM 718 O VAL A 44 -7.626 5.472 0.486 1.00 0.00 O ATOM 719 CB VAL A 44 -6.081 7.599 -1.744 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.082 8.220 -3.132 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.162 8.673 -0.670 1.00 0.00 C ATOM 0 H VAL A 44 -8.486 7.847 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.385 6.073 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.143 7.058 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.252 8.922 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.972 7.436 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.022 8.748 -3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.332 9.369 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.104 9.212 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.108 8.208 0.314 1.00 0.00 H new ATOM 731 N GLU A 45 -5.799 4.881 -0.688 1.00 0.00 N ATOM 732 CA GLU A 45 -5.363 3.885 0.284 1.00 0.00 C ATOM 733 C GLU A 45 -3.927 4.152 0.728 1.00 0.00 C ATOM 734 O GLU A 45 -3.066 4.490 -0.084 1.00 0.00 O ATOM 735 CB GLU A 45 -5.472 2.479 -0.309 1.00 0.00 C ATOM 736 CG GLU A 45 -5.609 1.386 0.737 1.00 0.00 C ATOM 737 CD GLU A 45 -5.782 0.010 0.124 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.830 -0.477 -0.521 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.870 -0.581 0.291 1.00 0.00 O ATOM 0 H GLU A 45 -5.190 4.973 -1.501 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.014 3.955 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.333 2.441 -0.977 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.589 2.280 -0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.726 1.387 1.376 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.464 1.605 1.376 1.00 0.00 H new ATOM 746 N VAL A 46 -3.677 3.997 2.025 1.00 0.00 N ATOM 747 CA VAL A 46 -2.347 4.220 2.579 1.00 0.00 C ATOM 748 C VAL A 46 -1.854 2.992 3.336 1.00 0.00 C ATOM 749 O VAL A 46 -2.632 2.093 3.656 1.00 0.00 O ATOM 750 CB VAL A 46 -2.330 5.434 3.526 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.863 6.671 2.819 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.135 5.140 4.783 1.00 0.00 C ATOM 0 H VAL A 46 -4.378 3.718 2.711 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.682 4.416 1.738 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.299 5.629 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.843 7.519 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.241 6.891 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.888 6.491 2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.112 6.009 5.441 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.167 4.918 4.511 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.703 4.282 5.299 1.00 0.00 H new ATOM 762 N LYS A 47 -0.557 2.960 3.619 1.00 0.00 N ATOM 763 CA LYS A 47 0.042 1.844 4.341 1.00 0.00 C ATOM 764 C LYS A 47 0.489 2.273 5.734 1.00 0.00 C ATOM 765 O LYS A 47 1.166 3.289 5.893 1.00 0.00 O ATOM 766 CB LYS A 47 1.235 1.286 3.560 1.00 0.00 C ATOM 767 CG LYS A 47 1.642 -0.113 3.988 1.00 0.00 C ATOM 768 CD LYS A 47 0.739 -1.169 3.372 1.00 0.00 C ATOM 769 CE LYS A 47 1.357 -1.766 2.117 1.00 0.00 C ATOM 770 NZ LYS A 47 2.163 -2.981 2.420 1.00 0.00 N ATOM 0 H LYS A 47 0.101 3.695 3.359 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.713 1.065 4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.990 1.275 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.085 1.957 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.675 -0.299 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.603 -0.188 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.553 -1.960 4.099 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.227 -0.726 3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.568 -2.021 1.409 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.990 -1.021 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.567 -3.358 1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.932 -2.733 3.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.554 -3.702 2.857 1.00 0.00 H new ATOM 784 N ILE A 48 0.108 1.493 6.740 1.00 0.00 N ATOM 785 CA ILE A 48 0.472 1.792 8.119 1.00 0.00 C ATOM 786 C ILE A 48 1.225 0.628 8.754 1.00 0.00 C ATOM 787 O ILE A 48 0.729 -0.498 8.798 1.00 0.00 O ATOM 788 CB ILE A 48 -0.770 2.111 8.973 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.554 3.272 8.357 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.361 2.439 10.401 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.942 3.437 8.934 1.00 0.00 C ATOM 0 H ILE A 48 -0.453 0.649 6.626 1.00 0.00 H new ATOM 0 HA ILE A 48 1.119 2.669 8.091 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.415 1.232 8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.995 4.196 8.505 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.633 3.116 7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.249 2.662 10.992 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.159 1.585 10.836 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.301 3.305 10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.439 4.278 8.451 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.518 2.528 8.762 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.871 3.624 10.005 1.00 0.00 H new ATOM 803 N THR A 49 2.428 0.907 9.247 1.00 0.00 N ATOM 804 CA THR A 49 3.251 -0.116 9.880 1.00 0.00 C ATOM 805 C THR A 49 2.949 -0.219 11.371 1.00 0.00 C ATOM 806 O THR A 49 3.341 0.646 12.155 1.00 0.00 O ATOM 807 CB THR A 49 4.752 0.173 9.690 1.00 0.00 C ATOM 808 OG1 THR A 49 5.049 0.326 8.298 1.00 0.00 O ATOM 809 CG2 THR A 49 5.597 -0.949 10.274 1.00 0.00 C ATOM 0 H THR A 49 2.854 1.833 9.220 1.00 0.00 H new ATOM 0 HA THR A 49 3.007 -1.062 9.396 1.00 0.00 H new ATOM 0 HB THR A 49 4.991 1.098 10.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.005 0.511 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.653 -0.723 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.390 -1.043 11.340 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.354 -1.886 9.773 1.00 0.00 H new ATOM 817 N VAL A 50 2.251 -1.282 11.757 1.00 0.00 N ATOM 818 CA VAL A 50 1.898 -1.499 13.155 1.00 0.00 C ATOM 819 C VAL A 50 2.625 -2.713 13.723 1.00 0.00 C ATOM 820 O VAL A 50 2.300 -3.853 13.394 1.00 0.00 O ATOM 821 CB VAL A 50 0.381 -1.696 13.327 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.037 -1.951 14.786 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.377 -0.488 12.796 1.00 0.00 C ATOM 0 H VAL A 50 1.919 -2.007 11.121 1.00 0.00 H new ATOM 0 HA VAL A 50 2.205 -0.607 13.701 1.00 0.00 H new ATOM 0 HB VAL A 50 0.079 -2.569 12.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.040 -2.088 14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.551 -2.849 15.129 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.353 -1.099 15.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.448 -0.645 12.926 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.072 0.403 13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.155 -0.356 11.737 1.00 0.00 H new ATOM 833 N ASN A 51 3.610 -2.459 14.578 1.00 0.00 N ATOM 834 CA ASN A 51 4.384 -3.532 15.192 1.00 0.00 C ATOM 835 C ASN A 51 5.103 -4.360 14.132 1.00 0.00 C ATOM 836 O ASN A 51 5.315 -5.560 14.305 1.00 0.00 O ATOM 837 CB ASN A 51 3.472 -4.433 16.027 1.00 0.00 C ATOM 838 CG ASN A 51 4.225 -5.158 17.126 1.00 0.00 C ATOM 839 OD1 ASN A 51 5.449 -5.068 17.219 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.493 -5.883 17.965 1.00 0.00 N ATOM 0 H ASN A 51 3.891 -1.520 14.861 1.00 0.00 H new ATOM 0 HA ASN A 51 5.132 -3.080 15.843 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.678 -3.831 16.470 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.993 -5.164 15.376 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.944 -6.394 18.724 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.481 -5.929 17.850 1.00 0.00 H new ATOM 847 N GLY A 52 5.477 -3.711 13.034 1.00 0.00 N ATOM 848 CA GLY A 52 6.168 -4.402 11.962 1.00 0.00 C ATOM 849 C GLY A 52 5.216 -4.972 10.930 1.00 0.00 C ATOM 850 O GLY A 52 5.638 -5.420 9.863 1.00 0.00 O ATOM 0 H GLY A 52 5.313 -2.718 12.868 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.857 -3.712 11.474 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.769 -5.209 12.382 1.00 0.00 H new ATOM 854 N LYS A 53 3.925 -4.958 11.246 1.00 0.00 N ATOM 855 CA LYS A 53 2.909 -5.477 10.340 1.00 0.00 C ATOM 856 C LYS A 53 2.285 -4.352 9.519 1.00 0.00 C ATOM 857 O LYS A 53 1.667 -3.439 10.067 1.00 0.00 O ATOM 858 CB LYS A 53 1.821 -6.212 11.127 1.00 0.00 C ATOM 859 CG LYS A 53 2.134 -7.677 11.374 1.00 0.00 C ATOM 860 CD LYS A 53 3.248 -7.846 12.393 1.00 0.00 C ATOM 861 CE LYS A 53 3.456 -9.308 12.755 1.00 0.00 C ATOM 862 NZ LYS A 53 4.249 -9.463 14.006 1.00 0.00 N ATOM 0 H LYS A 53 3.558 -4.592 12.125 1.00 0.00 H new ATOM 0 HA LYS A 53 3.391 -6.177 9.657 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.678 -5.713 12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.878 -6.137 10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.237 -8.187 11.726 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.423 -8.151 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.174 -7.434 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.009 -7.278 13.292 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.488 -9.793 12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.966 -9.816 11.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.369 -10.474 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.183 -9.022 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.750 -9.001 14.793 1.00 0.00 H new ATOM 876 N THR A 54 2.450 -4.425 8.202 1.00 0.00 N ATOM 877 CA THR A 54 1.903 -3.414 7.306 1.00 0.00 C ATOM 878 C THR A 54 0.404 -3.608 7.108 1.00 0.00 C ATOM 879 O THR A 54 -0.051 -4.703 6.778 1.00 0.00 O ATOM 880 CB THR A 54 2.600 -3.444 5.933 1.00 0.00 C ATOM 881 OG1 THR A 54 3.175 -4.735 5.703 1.00 0.00 O ATOM 882 CG2 THR A 54 3.684 -2.379 5.853 1.00 0.00 C ATOM 0 H THR A 54 2.958 -5.174 7.732 1.00 0.00 H new ATOM 0 HA THR A 54 2.082 -2.446 7.774 1.00 0.00 H new ATOM 0 HB THR A 54 1.853 -3.238 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.615 -4.746 4.827 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.162 -2.419 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.239 -1.395 5.999 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.429 -2.559 6.628 1.00 0.00 H new ATOM 890 N TYR A 55 -0.358 -2.539 7.309 1.00 0.00 N ATOM 891 CA TYR A 55 -1.806 -2.592 7.154 1.00 0.00 C ATOM 892 C TYR A 55 -2.281 -1.575 6.121 1.00 0.00 C ATOM 893 O TYR A 55 -1.654 -0.535 5.925 1.00 0.00 O ATOM 894 CB TYR A 55 -2.494 -2.333 8.495 1.00 0.00 C ATOM 895 CG TYR A 55 -2.336 -3.464 9.486 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.227 -4.530 9.500 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.297 -3.466 10.408 1.00 0.00 C ATOM 898 CE1 TYR A 55 -3.087 -5.566 10.404 1.00 0.00 C ATOM 899 CE2 TYR A 55 -1.148 -4.498 11.314 1.00 0.00 C ATOM 900 CZ TYR A 55 -2.046 -5.546 11.308 1.00 0.00 C ATOM 901 OH TYR A 55 -1.902 -6.575 12.210 1.00 0.00 O ATOM 0 H TYR A 55 0.004 -1.625 7.580 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.072 -3.590 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.089 -1.420 8.931 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.556 -2.159 8.321 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.043 -4.549 8.793 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.594 -2.647 10.417 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.789 -6.387 10.402 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.333 -4.485 12.023 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.118 -6.408 12.774 1.00 0.00 H new ATOM 911 N GLU A 56 -3.395 -1.885 5.463 1.00 0.00 N ATOM 912 CA GLU A 56 -3.954 -0.998 4.450 1.00 0.00 C ATOM 913 C GLU A 56 -5.283 -0.410 4.915 1.00 0.00 C ATOM 914 O GLU A 56 -6.099 -1.100 5.526 1.00 0.00 O ATOM 915 CB GLU A 56 -4.151 -1.753 3.133 1.00 0.00 C ATOM 916 CG GLU A 56 -2.881 -1.883 2.310 1.00 0.00 C ATOM 917 CD GLU A 56 -2.858 -3.145 1.469 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.386 -4.185 1.971 1.00 0.00 O ATOM 919 OE2 GLU A 56 -3.314 -3.090 0.307 1.00 0.00 O ATOM 0 H GLU A 56 -3.927 -2.742 5.614 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.251 -0.181 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.537 -2.749 3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.908 -1.240 2.539 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.784 -1.015 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.018 -1.879 2.976 1.00 0.00 H new ATOM 926 N ARG A 57 -5.491 0.870 4.623 1.00 0.00 N ATOM 927 CA ARG A 57 -6.719 1.552 5.013 1.00 0.00 C ATOM 928 C ARG A 57 -7.092 2.625 3.994 1.00 0.00 C ATOM 929 O ARG A 57 -6.233 3.140 3.279 1.00 0.00 O ATOM 930 CB ARG A 57 -6.560 2.182 6.398 1.00 0.00 C ATOM 931 CG ARG A 57 -5.495 3.265 6.455 1.00 0.00 C ATOM 932 CD ARG A 57 -5.795 4.285 7.543 1.00 0.00 C ATOM 933 NE ARG A 57 -6.064 3.650 8.830 1.00 0.00 N ATOM 934 CZ ARG A 57 -6.416 4.321 9.921 1.00 0.00 C ATOM 935 NH1 ARG A 57 -6.540 5.640 9.881 1.00 0.00 N ATOM 936 NH2 ARG A 57 -6.644 3.672 11.056 1.00 0.00 N ATOM 0 H ARG A 57 -4.825 1.455 4.118 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.520 0.814 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.515 2.607 6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.311 1.401 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.522 2.810 6.639 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.434 3.768 5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.950 4.966 7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.655 4.886 7.249 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.977 2.636 8.895 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.365 6.143 9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.810 6.153 10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.549 2.657 11.091 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -6.914 4.188 11.893 1.00 0.00 H new ATOM 950 N GLN A 58 -8.378 2.956 3.934 1.00 0.00 N ATOM 951 CA GLN A 58 -8.863 3.966 3.001 1.00 0.00 C ATOM 952 C GLN A 58 -8.917 5.339 3.665 1.00 0.00 C ATOM 953 O GLN A 58 -9.286 5.461 4.832 1.00 0.00 O ATOM 954 CB GLN A 58 -10.250 3.585 2.480 1.00 0.00 C ATOM 955 CG GLN A 58 -10.271 2.275 1.709 1.00 0.00 C ATOM 956 CD GLN A 58 -11.391 2.214 0.690 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.270 1.356 0.767 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.366 3.129 -0.272 1.00 0.00 N ATOM 0 H GLN A 58 -9.102 2.540 4.520 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.168 4.014 2.163 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.938 3.512 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.619 4.383 1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.316 2.142 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.378 1.447 2.410 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.618 3.822 -0.297 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.095 3.139 -0.985 1.00 0.00 H new ATOM 967 N GLY A 59 -8.544 6.369 2.912 1.00 0.00 N ATOM 968 CA GLY A 59 -8.556 7.719 3.445 1.00 0.00 C ATOM 969 C GLY A 59 -9.155 8.719 2.476 1.00 0.00 C ATOM 970 O GLY A 59 -8.812 8.731 1.293 1.00 0.00 O ATOM 0 H GLY A 59 -8.234 6.293 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.124 7.734 4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.537 8.019 3.689 1.00 0.00 H new ATOM 974 N PHE A 60 -10.054 9.560 2.976 1.00 0.00 N ATOM 975 CA PHE A 60 -10.705 10.567 2.146 1.00 0.00 C ATOM 976 C PHE A 60 -9.910 11.870 2.148 1.00 0.00 C ATOM 977 O PHE A 60 -9.573 12.403 3.205 1.00 0.00 O ATOM 978 CB PHE A 60 -12.129 10.825 2.642 1.00 0.00 C ATOM 979 CG PHE A 60 -12.880 9.570 2.986 1.00 0.00 C ATOM 980 CD1 PHE A 60 -12.761 8.998 4.242 1.00 0.00 C ATOM 981 CD2 PHE A 60 -13.706 8.964 2.053 1.00 0.00 C ATOM 982 CE1 PHE A 60 -13.450 7.843 4.561 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.399 7.809 2.366 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.271 7.249 3.622 1.00 0.00 C ATOM 0 H PHE A 60 -10.349 9.564 3.953 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.747 10.188 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.088 11.467 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.679 11.370 1.875 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.122 9.460 4.981 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.810 9.399 1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -13.347 7.405 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.039 7.346 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 60 -14.812 6.348 3.870 1.00 0.00 H new ATOM 994 N VAL A 61 -9.614 12.377 0.955 1.00 0.00 N ATOM 995 CA VAL A 61 -8.860 13.617 0.818 1.00 0.00 C ATOM 996 C VAL A 61 -9.339 14.422 -0.385 1.00 0.00 C ATOM 997 O VAL A 61 -9.879 13.880 -1.350 1.00 0.00 O ATOM 998 CB VAL A 61 -7.351 13.343 0.671 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.763 12.871 1.992 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.100 12.324 -0.429 1.00 0.00 C ATOM 0 H VAL A 61 -9.885 11.948 0.070 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.030 14.193 1.728 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.855 14.273 0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.697 12.682 1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.910 13.639 2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.260 11.953 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.029 12.142 -0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.607 11.391 -0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.484 12.707 -1.374 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.138 15.746 -0.329 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.541 16.654 -1.407 1.00 0.00 C ATOM 1012 C PRO A 62 -8.691 16.479 -2.661 1.00 0.00 C ATOM 1013 O PRO A 62 -7.490 16.746 -2.651 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.321 18.043 -0.802 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.275 17.841 0.240 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.500 16.460 0.790 1.00 0.00 C ATOM 0 HA PRO A 62 -10.566 16.472 -1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.994 18.757 -1.558 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.241 18.436 -0.369 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.276 17.933 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.357 18.592 1.026 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.563 15.988 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.140 16.478 1.672 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.322 16.029 -3.740 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.624 15.821 -5.003 1.00 0.00 C ATOM 1026 C ALA A 63 -8.044 17.128 -5.532 1.00 0.00 C ATOM 1027 O ALA A 63 -7.043 17.129 -6.248 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.563 15.204 -6.029 1.00 0.00 C ATOM 0 H ALA A 63 -10.316 15.801 -3.765 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.797 15.134 -4.824 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.029 15.054 -6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.925 14.244 -5.660 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.409 15.871 -6.196 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.680 18.239 -5.174 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.225 19.553 -5.612 1.00 0.00 C ATOM 1036 C ALA A 64 -6.855 19.883 -5.030 1.00 0.00 C ATOM 1037 O ALA A 64 -6.188 20.816 -5.477 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.238 20.619 -5.220 1.00 0.00 C ATOM 0 H ALA A 64 -9.511 18.255 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.134 19.535 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.886 21.595 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.197 20.400 -5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.357 20.627 -4.137 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.441 19.111 -4.031 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.151 19.323 -3.386 1.00 0.00 C ATOM 1046 C TYR A 65 -4.131 18.289 -3.854 1.00 0.00 C ATOM 1047 O TYR A 65 -2.956 18.350 -3.491 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.301 19.256 -1.865 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.703 20.572 -1.237 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.654 21.388 -1.837 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.133 20.998 -0.044 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.025 22.591 -1.267 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.498 22.199 0.533 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.444 22.992 -0.082 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.811 24.189 0.489 1.00 0.00 O ATOM 0 H TYR A 65 -6.980 18.333 -3.651 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.792 20.313 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.046 18.501 -1.615 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.357 18.929 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.111 21.077 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.392 20.380 0.441 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.766 23.214 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.045 22.515 1.461 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.310 24.322 1.320 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.590 17.340 -4.663 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.719 16.293 -5.184 1.00 0.00 C ATOM 1067 C VAL A 66 -3.893 16.131 -6.689 1.00 0.00 C ATOM 1068 O VAL A 66 -4.705 16.819 -7.309 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.995 14.941 -4.498 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.945 15.090 -2.985 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.337 14.382 -4.943 1.00 0.00 C ATOM 0 H VAL A 66 -5.560 17.274 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.695 16.599 -4.971 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.218 14.237 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.142 14.125 -2.518 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.958 15.443 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.699 15.809 -2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.515 13.427 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.129 15.082 -4.677 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.330 14.236 -6.023 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.127 15.216 -7.273 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.196 14.961 -8.707 1.00 0.00 C ATOM 1083 C LYS A 67 -2.753 13.537 -9.029 1.00 0.00 C ATOM 1084 O LYS A 67 -2.284 12.810 -8.154 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.323 15.962 -9.467 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.883 17.374 -9.475 1.00 0.00 C ATOM 1087 CD LYS A 67 -2.242 18.222 -10.561 1.00 0.00 C ATOM 1088 CE LYS A 67 -2.868 17.952 -11.921 1.00 0.00 C ATOM 1089 NZ LYS A 67 -1.949 18.312 -13.036 1.00 0.00 N ATOM 0 H LYS A 67 -2.450 14.638 -6.775 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.233 15.080 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.329 15.977 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.205 15.621 -10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.961 17.338 -9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -2.716 17.838 -8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.351 19.278 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.173 18.014 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.134 16.898 -11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.793 18.521 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.412 18.113 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.715 19.324 -12.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.077 17.751 -12.962 1.00 0.00 H new ATOM 1103 N LYS A 68 -2.905 13.146 -10.289 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.518 11.810 -10.728 1.00 0.00 C ATOM 1105 C LYS A 68 -1.025 11.749 -11.035 1.00 0.00 C ATOM 1106 O LYS A 68 -0.493 12.596 -11.754 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.321 11.406 -11.967 1.00 0.00 C ATOM 1108 CG LYS A 68 -4.534 10.548 -11.651 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.795 11.388 -11.533 1.00 0.00 C ATOM 1110 CE LYS A 68 -7.044 10.556 -11.775 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.078 9.994 -13.154 1.00 0.00 N ATOM 0 H LYS A 68 -3.294 13.735 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.733 11.112 -9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.648 12.306 -12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.669 10.862 -12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.666 9.800 -12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.366 10.008 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.843 11.837 -10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.757 12.206 -12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.085 9.743 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.928 11.172 -11.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.066 9.843 -13.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.622 10.659 -13.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.570 9.087 -13.172 1.00 0.00 H new