USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 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 Set 1.1: A 35 ASN :FLIP amide:sc= -1.98 F(o=-6.4!,f=-3.1) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 150:sc= -1.13 (180deg=-0.158) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -2.04 X(o=-2,f=-1.8) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 25 MET CE :methyl -170:sc= -2.34 (180deg=-3.19) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.487 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 39 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= -0.224 X(o=-0.22,f=-0.28) USER MOD Single : A 53 LYS NZ :NH3+ 168:sc= -0.0395 (180deg=-0.223) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -2.72! C(o=-4.2!,f=-2.7!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.894 3.159 -10.295 1.00 0.00 N ATOM 89 CA GLU A 7 -4.076 4.604 -10.356 1.00 0.00 C ATOM 90 C GLU A 7 -3.507 5.276 -9.109 1.00 0.00 C ATOM 91 O GLU A 7 -4.142 5.294 -8.054 1.00 0.00 O ATOM 92 CB GLU A 7 -5.560 4.948 -10.502 1.00 0.00 C ATOM 93 CG GLU A 7 -5.818 6.181 -11.352 1.00 0.00 C ATOM 94 CD GLU A 7 -5.627 5.918 -12.833 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.585 5.446 -13.481 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.519 6.185 -13.345 1.00 0.00 O ATOM 0 HA GLU A 7 -3.537 4.976 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.080 4.098 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.987 5.104 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.835 6.532 -11.177 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.147 6.981 -11.039 1.00 0.00 H new ATOM 103 N LEU A 8 -2.306 5.828 -9.239 1.00 0.00 N ATOM 104 CA LEU A 8 -1.649 6.502 -8.124 1.00 0.00 C ATOM 105 C LEU A 8 -1.837 8.013 -8.213 1.00 0.00 C ATOM 106 O LEU A 8 -1.919 8.575 -9.306 1.00 0.00 O ATOM 107 CB LEU A 8 -0.158 6.162 -8.103 1.00 0.00 C ATOM 108 CG LEU A 8 0.236 4.917 -7.308 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.553 4.352 -7.818 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.332 5.240 -5.824 1.00 0.00 C ATOM 0 H LEU A 8 -1.767 5.822 -10.105 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.108 6.152 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.179 6.033 -9.132 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.383 7.016 -7.694 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.538 4.162 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.817 3.466 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.450 4.082 -8.869 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.337 5.102 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.613 4.342 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.085 6.012 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.634 5.597 -5.466 1.00 0.00 H new ATOM 122 N VAL A 9 -1.902 8.666 -7.057 1.00 0.00 N ATOM 123 CA VAL A 9 -2.076 10.113 -7.005 1.00 0.00 C ATOM 124 C VAL A 9 -1.064 10.755 -6.063 1.00 0.00 C ATOM 125 O VAL A 9 -0.696 10.174 -5.041 1.00 0.00 O ATOM 126 CB VAL A 9 -3.498 10.490 -6.548 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.507 10.204 -7.650 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.863 9.745 -5.273 1.00 0.00 C ATOM 0 H VAL A 9 -1.837 8.216 -6.144 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.915 10.488 -8.016 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.521 11.559 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.506 10.477 -7.309 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.254 10.788 -8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.485 9.143 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.871 10.023 -4.965 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.823 8.671 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.157 10.006 -4.484 1.00 0.00 H new ATOM 138 N LEU A 10 -0.617 11.956 -6.413 1.00 0.00 N ATOM 139 CA LEU A 10 0.353 12.679 -5.598 1.00 0.00 C ATOM 140 C LEU A 10 -0.297 13.876 -4.913 1.00 0.00 C ATOM 141 O LEU A 10 -1.243 14.464 -5.434 1.00 0.00 O ATOM 142 CB LEU A 10 1.526 13.145 -6.462 1.00 0.00 C ATOM 143 CG LEU A 10 2.833 12.368 -6.296 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.531 12.205 -7.637 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.746 13.066 -5.298 1.00 0.00 C ATOM 0 H LEU A 10 -0.911 12.450 -7.256 1.00 0.00 H new ATOM 0 HA LEU A 10 0.723 12.001 -4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.225 13.091 -7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.720 14.194 -6.240 1.00 0.00 H new ATOM 0 HG LEU A 10 2.597 11.376 -5.910 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.459 11.650 -7.499 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.881 11.661 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.754 13.188 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.671 12.499 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.975 14.070 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.247 13.129 -4.331 1.00 0.00 H new ATOM 157 N ALA A 11 0.221 14.233 -3.741 1.00 0.00 N ATOM 158 CA ALA A 11 -0.306 15.363 -2.986 1.00 0.00 C ATOM 159 C ALA A 11 0.455 16.644 -3.312 1.00 0.00 C ATOM 160 O ALA A 11 1.634 16.778 -2.983 1.00 0.00 O ATOM 161 CB ALA A 11 -0.244 15.075 -1.493 1.00 0.00 C ATOM 0 H ALA A 11 1.004 13.756 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.347 15.507 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.641 15.927 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.838 14.189 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.791 14.902 -1.198 1.00 0.00 H new ATOM 167 N LEU A 12 -0.226 17.582 -3.961 1.00 0.00 N ATOM 168 CA LEU A 12 0.387 18.853 -4.332 1.00 0.00 C ATOM 169 C LEU A 12 0.395 19.819 -3.152 1.00 0.00 C ATOM 170 O LEU A 12 1.297 20.647 -3.020 1.00 0.00 O ATOM 171 CB LEU A 12 -0.361 19.477 -5.511 1.00 0.00 C ATOM 172 CG LEU A 12 -0.554 18.580 -6.734 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.759 19.033 -7.544 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.700 18.577 -7.597 1.00 0.00 C ATOM 0 H LEU A 12 -1.202 17.487 -4.241 1.00 0.00 H new ATOM 0 HA LEU A 12 1.419 18.659 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.342 19.799 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.176 20.372 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.736 17.562 -6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.880 18.383 -8.410 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.654 18.982 -6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.607 20.059 -7.879 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.544 17.933 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.913 19.592 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.542 18.204 -7.014 1.00 0.00 H new ATOM 186 N TYR A 13 -0.613 19.706 -2.294 1.00 0.00 N ATOM 187 CA TYR A 13 -0.722 20.569 -1.125 1.00 0.00 C ATOM 188 C TYR A 13 -0.721 19.748 0.161 1.00 0.00 C ATOM 189 O TYR A 13 -1.006 18.550 0.146 1.00 0.00 O ATOM 190 CB TYR A 13 -1.997 21.411 -1.203 1.00 0.00 C ATOM 191 CG TYR A 13 -2.082 22.267 -2.447 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.473 21.721 -3.664 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.771 23.620 -2.406 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.550 22.499 -4.803 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.848 24.406 -3.540 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.237 23.841 -4.736 1.00 0.00 C ATOM 197 OH TYR A 13 -2.315 24.619 -5.868 1.00 0.00 O ATOM 0 H TYR A 13 -1.366 19.025 -2.387 1.00 0.00 H new ATOM 0 HA TYR A 13 0.144 21.231 -1.113 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.862 20.749 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.052 22.054 -0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.721 20.671 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.464 24.066 -1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.854 22.059 -5.741 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.605 25.457 -3.490 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.063 25.541 -5.650 1.00 0.00 H new ATOM 207 N ASP A 14 -0.399 20.400 1.272 1.00 0.00 N ATOM 208 CA ASP A 14 -0.361 19.733 2.568 1.00 0.00 C ATOM 209 C ASP A 14 -1.766 19.588 3.145 1.00 0.00 C ATOM 210 O ASP A 14 -2.587 20.500 3.044 1.00 0.00 O ATOM 211 CB ASP A 14 0.526 20.511 3.541 1.00 0.00 C ATOM 212 CG ASP A 14 -0.009 21.900 3.828 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.281 22.641 2.861 1.00 0.00 O ATOM 214 OD2 ASP A 14 -0.154 22.246 5.019 1.00 0.00 O ATOM 0 H ASP A 14 -0.160 21.391 1.301 1.00 0.00 H new ATOM 0 HA ASP A 14 0.058 18.737 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.609 19.956 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.531 20.590 3.128 1.00 0.00 H new ATOM 219 N TYR A 15 -2.036 18.436 3.749 1.00 0.00 N ATOM 220 CA TYR A 15 -3.342 18.170 4.339 1.00 0.00 C ATOM 221 C TYR A 15 -3.204 17.359 5.625 1.00 0.00 C ATOM 222 O TYR A 15 -2.183 16.713 5.857 1.00 0.00 O ATOM 223 CB TYR A 15 -4.232 17.422 3.345 1.00 0.00 C ATOM 224 CG TYR A 15 -5.688 17.376 3.751 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.446 18.538 3.823 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.304 16.171 4.063 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.776 18.501 4.194 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.634 16.124 4.434 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.366 17.291 4.498 1.00 0.00 C ATOM 230 OH TYR A 15 -9.691 17.249 4.868 1.00 0.00 O ATOM 0 H TYR A 15 -1.367 17.671 3.843 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.804 19.127 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.151 17.898 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.862 16.403 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.988 19.486 3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.734 15.255 4.015 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.351 19.414 4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.098 15.178 4.673 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.951 16.321 5.047 1.00 0.00 H new ATOM 240 N GLN A 16 -4.241 17.399 6.456 1.00 0.00 N ATOM 241 CA GLN A 16 -4.236 16.669 7.718 1.00 0.00 C ATOM 242 C GLN A 16 -5.525 15.872 7.890 1.00 0.00 C ATOM 243 O GLN A 16 -6.561 16.220 7.325 1.00 0.00 O ATOM 244 CB GLN A 16 -4.060 17.636 8.890 1.00 0.00 C ATOM 245 CG GLN A 16 -4.932 18.877 8.791 1.00 0.00 C ATOM 246 CD GLN A 16 -6.412 18.560 8.888 1.00 0.00 C ATOM 247 OE1 GLN A 16 -6.884 18.051 9.905 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.153 18.861 7.828 1.00 0.00 N ATOM 0 H GLN A 16 -5.094 17.929 6.278 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.398 15.972 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.290 17.114 9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.015 17.940 8.946 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.660 19.572 9.586 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.734 19.381 7.845 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.720 19.282 7.006 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.155 18.671 7.836 1.00 0.00 H new ATOM 257 N GLU A 17 -5.452 14.801 8.675 1.00 0.00 N ATOM 258 CA GLU A 17 -6.613 13.954 8.920 1.00 0.00 C ATOM 259 C GLU A 17 -7.373 14.418 10.159 1.00 0.00 C ATOM 260 O GLU A 17 -6.776 14.698 11.199 1.00 0.00 O ATOM 261 CB GLU A 17 -6.182 12.496 9.088 1.00 0.00 C ATOM 262 CG GLU A 17 -5.511 12.209 10.421 1.00 0.00 C ATOM 263 CD GLU A 17 -4.917 10.816 10.488 1.00 0.00 C ATOM 264 OE1 GLU A 17 -5.667 9.841 10.268 1.00 0.00 O ATOM 265 OE2 GLU A 17 -3.705 10.699 10.761 1.00 0.00 O ATOM 0 H GLU A 17 -4.602 14.500 9.151 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.276 14.032 8.058 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.056 11.853 8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.497 12.233 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.724 12.944 10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.239 12.328 11.223 1.00 0.00 H new ATOM 272 N LYS A 18 -8.694 14.497 10.041 1.00 0.00 N ATOM 273 CA LYS A 18 -9.537 14.925 11.150 1.00 0.00 C ATOM 274 C LYS A 18 -10.313 13.747 11.731 1.00 0.00 C ATOM 275 O LYS A 18 -10.687 13.756 12.904 1.00 0.00 O ATOM 276 CB LYS A 18 -10.511 16.012 10.687 1.00 0.00 C ATOM 277 CG LYS A 18 -11.170 16.765 11.830 1.00 0.00 C ATOM 278 CD LYS A 18 -12.542 16.196 12.155 1.00 0.00 C ATOM 279 CE LYS A 18 -13.644 16.949 11.426 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.982 16.691 12.026 1.00 0.00 N ATOM 0 H LYS A 18 -9.204 14.270 9.187 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.891 15.331 11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.977 16.722 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.285 15.556 10.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.535 16.714 12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.265 17.818 11.566 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.575 15.142 11.878 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.714 16.249 13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.433 18.018 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.653 16.653 10.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.706 17.222 11.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.194 15.674 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.981 16.996 13.020 1.00 0.00 H new ATOM 294 N SER A 19 -10.549 12.734 10.904 1.00 0.00 N ATOM 295 CA SER A 19 -11.281 11.550 11.336 1.00 0.00 C ATOM 296 C SER A 19 -10.427 10.296 11.180 1.00 0.00 C ATOM 297 O SER A 19 -9.443 10.271 10.440 1.00 0.00 O ATOM 298 CB SER A 19 -12.574 11.402 10.531 1.00 0.00 C ATOM 299 OG SER A 19 -12.833 12.565 9.764 1.00 0.00 O ATOM 0 H SER A 19 -10.244 12.710 9.931 1.00 0.00 H new ATOM 0 HA SER A 19 -11.529 11.672 12.391 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.499 10.537 9.872 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.408 11.216 11.208 1.00 0.00 H new ATOM 0 HG SER A 19 -13.663 12.445 9.258 1.00 0.00 H new ATOM 305 N PRO A 20 -10.810 9.227 11.895 1.00 0.00 N ATOM 306 CA PRO A 20 -10.093 7.949 11.854 1.00 0.00 C ATOM 307 C PRO A 20 -10.257 7.235 10.516 1.00 0.00 C ATOM 308 O PRO A 20 -9.519 6.300 10.207 1.00 0.00 O ATOM 309 CB PRO A 20 -10.748 7.139 12.976 1.00 0.00 C ATOM 310 CG PRO A 20 -12.112 7.722 13.117 1.00 0.00 C ATOM 311 CD PRO A 20 -11.972 9.184 12.798 1.00 0.00 C ATOM 0 HA PRO A 20 -9.018 8.081 11.976 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.794 6.079 12.724 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.184 7.222 13.905 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.815 7.240 12.437 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.496 7.578 14.127 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -12.868 9.578 12.319 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.804 9.777 13.697 1.00 0.00 H new ATOM 319 N ARG A 21 -11.227 7.683 9.727 1.00 0.00 N ATOM 320 CA ARG A 21 -11.487 7.087 8.422 1.00 0.00 C ATOM 321 C ARG A 21 -10.655 7.765 7.338 1.00 0.00 C ATOM 322 O ARG A 21 -10.316 7.150 6.327 1.00 0.00 O ATOM 323 CB ARG A 21 -12.974 7.191 8.077 1.00 0.00 C ATOM 324 CG ARG A 21 -13.530 5.950 7.398 1.00 0.00 C ATOM 325 CD ARG A 21 -15.050 5.973 7.353 1.00 0.00 C ATOM 326 NE ARG A 21 -15.592 4.858 6.582 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.877 4.737 6.268 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.748 5.658 6.658 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.294 3.693 5.563 1.00 0.00 N ATOM 0 H ARG A 21 -11.846 8.457 9.968 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.204 6.035 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.538 7.378 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.128 8.051 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.136 5.881 6.384 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.194 5.061 7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.443 5.936 8.369 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.385 6.913 6.915 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.949 4.132 6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.432 6.462 7.200 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.734 5.563 6.415 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.628 2.982 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.281 3.601 5.323 1.00 0.00 H new ATOM 343 N GLU A 22 -10.329 9.035 7.557 1.00 0.00 N ATOM 344 CA GLU A 22 -9.537 9.795 6.598 1.00 0.00 C ATOM 345 C GLU A 22 -8.049 9.496 6.761 1.00 0.00 C ATOM 346 O GLU A 22 -7.656 8.688 7.602 1.00 0.00 O ATOM 347 CB GLU A 22 -9.788 11.295 6.770 1.00 0.00 C ATOM 348 CG GLU A 22 -11.231 11.702 6.523 1.00 0.00 C ATOM 349 CD GLU A 22 -11.408 13.206 6.448 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.412 13.931 6.655 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.541 13.659 6.182 1.00 0.00 O ATOM 0 H GLU A 22 -10.601 9.558 8.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.843 9.495 5.596 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.504 11.589 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.142 11.844 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.577 11.252 5.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.858 11.305 7.321 1.00 0.00 H new ATOM 358 N VAL A 23 -7.227 10.154 5.950 1.00 0.00 N ATOM 359 CA VAL A 23 -5.783 9.959 6.004 1.00 0.00 C ATOM 360 C VAL A 23 -5.043 11.280 5.822 1.00 0.00 C ATOM 361 O VAL A 23 -5.500 12.166 5.098 1.00 0.00 O ATOM 362 CB VAL A 23 -5.309 8.965 4.927 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.673 7.541 5.318 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.904 9.324 3.574 1.00 0.00 C ATOM 0 H VAL A 23 -7.536 10.826 5.248 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.556 9.551 6.989 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.224 9.029 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.330 6.853 4.545 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.195 7.290 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.755 7.458 5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.559 8.612 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.992 9.289 3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.588 10.329 3.293 1.00 0.00 H new ATOM 374 N THR A 24 -3.896 11.406 6.482 1.00 0.00 N ATOM 375 CA THR A 24 -3.093 12.619 6.394 1.00 0.00 C ATOM 376 C THR A 24 -2.089 12.531 5.250 1.00 0.00 C ATOM 377 O THR A 24 -1.381 11.534 5.108 1.00 0.00 O ATOM 378 CB THR A 24 -2.335 12.888 7.707 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.264 13.042 8.786 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.475 14.137 7.590 1.00 0.00 C ATOM 0 H THR A 24 -3.502 10.682 7.084 1.00 0.00 H new ATOM 0 HA THR A 24 -3.783 13.442 6.207 1.00 0.00 H new ATOM 0 HB THR A 24 -1.685 12.036 7.906 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.774 13.211 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.949 14.306 8.530 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.750 14.005 6.787 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.109 14.996 7.369 1.00 0.00 H new ATOM 388 N MET A 25 -2.032 13.581 4.437 1.00 0.00 N ATOM 389 CA MET A 25 -1.112 13.622 3.306 1.00 0.00 C ATOM 390 C MET A 25 -0.340 14.938 3.280 1.00 0.00 C ATOM 391 O MET A 25 -0.815 15.958 3.781 1.00 0.00 O ATOM 392 CB MET A 25 -1.875 13.439 1.993 1.00 0.00 C ATOM 393 CG MET A 25 -3.056 14.383 1.840 1.00 0.00 C ATOM 394 SD MET A 25 -4.145 13.920 0.480 1.00 0.00 S ATOM 395 CE MET A 25 -4.980 15.474 0.170 1.00 0.00 C ATOM 0 H MET A 25 -2.611 14.414 4.540 1.00 0.00 H new ATOM 0 HA MET A 25 -0.399 12.805 3.420 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.189 13.590 1.160 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.232 12.411 1.930 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.627 14.398 2.768 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.688 15.396 1.676 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.808 15.311 -0.520 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.363 15.875 1.109 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.278 16.183 -0.268 1.00 0.00 H new ATOM 405 N LYS A 26 0.852 14.908 2.694 1.00 0.00 N ATOM 406 CA LYS A 26 1.689 16.098 2.602 1.00 0.00 C ATOM 407 C LYS A 26 2.273 16.245 1.201 1.00 0.00 C ATOM 408 O LYS A 26 2.220 15.317 0.394 1.00 0.00 O ATOM 409 CB LYS A 26 2.819 16.033 3.633 1.00 0.00 C ATOM 410 CG LYS A 26 3.801 14.901 3.388 1.00 0.00 C ATOM 411 CD LYS A 26 4.822 14.796 4.509 1.00 0.00 C ATOM 412 CE LYS A 26 4.235 14.115 5.735 1.00 0.00 C ATOM 413 NZ LYS A 26 5.287 13.471 6.569 1.00 0.00 N ATOM 0 H LYS A 26 1.260 14.072 2.276 1.00 0.00 H new ATOM 0 HA LYS A 26 1.065 16.967 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.360 16.979 3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.387 15.919 4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.258 13.960 3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.315 15.063 2.440 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.690 14.236 4.161 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.173 15.792 4.778 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.695 14.848 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.510 13.364 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.846 13.018 7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.786 12.753 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.965 14.191 6.890 1.00 0.00 H new ATOM 427 N LYS A 27 2.832 17.417 0.918 1.00 0.00 N ATOM 428 CA LYS A 27 3.429 17.686 -0.385 1.00 0.00 C ATOM 429 C LYS A 27 4.425 16.594 -0.762 1.00 0.00 C ATOM 430 O LYS A 27 5.444 16.413 -0.098 1.00 0.00 O ATOM 431 CB LYS A 27 4.128 19.047 -0.378 1.00 0.00 C ATOM 432 CG LYS A 27 3.179 20.218 -0.568 1.00 0.00 C ATOM 433 CD LYS A 27 2.778 20.833 0.762 1.00 0.00 C ATOM 434 CE LYS A 27 2.180 22.219 0.578 1.00 0.00 C ATOM 435 NZ LYS A 27 3.221 23.283 0.623 1.00 0.00 N ATOM 0 H LYS A 27 2.884 18.196 1.574 1.00 0.00 H new ATOM 0 HA LYS A 27 2.631 17.698 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.658 19.169 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.878 19.065 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.655 20.975 -1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.288 19.883 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.055 20.187 1.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.650 20.895 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.655 22.264 -0.376 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.440 22.402 1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.773 24.213 0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.705 23.257 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.913 23.124 -0.137 1.00 0.00 H new ATOM 449 N GLY A 28 4.123 15.868 -1.835 1.00 0.00 N ATOM 450 CA GLY A 28 5.003 14.805 -2.283 1.00 0.00 C ATOM 451 C GLY A 28 4.541 13.437 -1.819 1.00 0.00 C ATOM 452 O GLY A 28 5.233 12.439 -2.023 1.00 0.00 O ATOM 0 H GLY A 28 3.285 15.998 -2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.058 14.817 -3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.011 14.990 -1.911 1.00 0.00 H new ATOM 456 N ASP A 29 3.371 13.391 -1.193 1.00 0.00 N ATOM 457 CA ASP A 29 2.818 12.135 -0.699 1.00 0.00 C ATOM 458 C ASP A 29 2.166 11.345 -1.829 1.00 0.00 C ATOM 459 O ASP A 29 1.473 11.911 -2.675 1.00 0.00 O ATOM 460 CB ASP A 29 1.796 12.404 0.407 1.00 0.00 C ATOM 461 CG ASP A 29 0.992 11.170 0.765 1.00 0.00 C ATOM 462 OD1 ASP A 29 1.603 10.095 0.941 1.00 0.00 O ATOM 463 OD2 ASP A 29 -0.248 11.278 0.869 1.00 0.00 O ATOM 0 H ASP A 29 2.787 14.208 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 29 3.637 11.542 -0.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.313 12.767 1.295 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.118 13.195 0.087 1.00 0.00 H new ATOM 468 N ILE A 30 2.394 10.037 -1.838 1.00 0.00 N ATOM 469 CA ILE A 30 1.829 9.170 -2.865 1.00 0.00 C ATOM 470 C ILE A 30 0.822 8.193 -2.267 1.00 0.00 C ATOM 471 O ILE A 30 1.115 7.505 -1.288 1.00 0.00 O ATOM 472 CB ILE A 30 2.926 8.375 -3.597 1.00 0.00 C ATOM 473 CG1 ILE A 30 4.048 9.311 -4.051 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.337 7.630 -4.785 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.193 8.596 -4.733 1.00 0.00 C ATOM 0 H ILE A 30 2.966 9.553 -1.146 1.00 0.00 H new ATOM 0 HA ILE A 30 1.322 9.818 -3.581 1.00 0.00 H new ATOM 0 HB ILE A 30 3.346 7.644 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.636 10.054 -4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.432 9.851 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.125 7.073 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.570 6.938 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.894 8.344 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.951 9.322 -5.028 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.631 7.872 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.823 8.078 -5.618 1.00 0.00 H new ATOM 487 N LEU A 31 -0.364 8.136 -2.862 1.00 0.00 N ATOM 488 CA LEU A 31 -1.415 7.241 -2.390 1.00 0.00 C ATOM 489 C LEU A 31 -2.023 6.457 -3.548 1.00 0.00 C ATOM 490 O LEU A 31 -1.890 6.841 -4.711 1.00 0.00 O ATOM 491 CB LEU A 31 -2.504 8.038 -1.670 1.00 0.00 C ATOM 492 CG LEU A 31 -2.021 9.187 -0.784 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.325 10.527 -1.435 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.662 9.103 0.594 1.00 0.00 C ATOM 0 H LEU A 31 -0.622 8.699 -3.672 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.970 6.533 -1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.184 8.444 -2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.083 7.350 -1.054 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.941 9.101 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.974 11.333 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.819 10.587 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.400 10.624 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.307 9.928 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.746 9.164 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.393 8.157 1.063 1.00 0.00 H new ATOM 506 N THR A 32 -2.695 5.357 -3.223 1.00 0.00 N ATOM 507 CA THR A 32 -3.325 4.519 -4.235 1.00 0.00 C ATOM 508 C THR A 32 -4.794 4.886 -4.415 1.00 0.00 C ATOM 509 O THR A 32 -5.637 4.541 -3.585 1.00 0.00 O ATOM 510 CB THR A 32 -3.221 3.026 -3.873 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.849 2.660 -3.690 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.841 2.161 -4.960 1.00 0.00 C ATOM 0 H THR A 32 -2.817 5.026 -2.266 1.00 0.00 H new ATOM 0 HA THR A 32 -2.792 4.696 -5.169 1.00 0.00 H new ATOM 0 HB THR A 32 -3.767 2.862 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.792 1.709 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.756 1.111 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.893 2.421 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.319 2.331 -5.902 1.00 0.00 H new ATOM 520 N LEU A 33 -5.095 5.585 -5.504 1.00 0.00 N ATOM 521 CA LEU A 33 -6.464 5.997 -5.793 1.00 0.00 C ATOM 522 C LEU A 33 -7.398 4.792 -5.839 1.00 0.00 C ATOM 523 O LEU A 33 -7.280 3.934 -6.715 1.00 0.00 O ATOM 524 CB LEU A 33 -6.520 6.751 -7.123 1.00 0.00 C ATOM 525 CG LEU A 33 -7.522 7.904 -7.200 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.925 7.414 -6.878 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.117 9.026 -6.255 1.00 0.00 C ATOM 0 H LEU A 33 -4.410 5.878 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.795 6.659 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.526 7.145 -7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.756 6.038 -7.912 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.520 8.294 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.624 8.248 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.215 6.645 -7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.943 6.997 -5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.841 9.838 -6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.090 8.649 -5.233 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.130 9.396 -6.532 1.00 0.00 H new ATOM 539 N LEU A 34 -8.329 4.735 -4.892 1.00 0.00 N ATOM 540 CA LEU A 34 -9.286 3.637 -4.825 1.00 0.00 C ATOM 541 C LEU A 34 -10.619 4.037 -5.448 1.00 0.00 C ATOM 542 O LEU A 34 -11.218 3.272 -6.202 1.00 0.00 O ATOM 543 CB LEU A 34 -9.497 3.206 -3.373 1.00 0.00 C ATOM 544 CG LEU A 34 -9.598 1.700 -3.128 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.333 0.996 -3.594 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.856 1.416 -1.655 1.00 0.00 C ATOM 0 H LEU A 34 -8.441 5.437 -4.160 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.879 2.799 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.673 3.597 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.409 3.676 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.438 1.313 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.424 -0.075 -3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.191 1.171 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.476 1.386 -3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.925 0.339 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.037 1.818 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.791 1.887 -1.352 1.00 0.00 H new ATOM 558 N ASN A 35 -11.078 5.243 -5.127 1.00 0.00 N ATOM 559 CA ASN A 35 -12.340 5.747 -5.656 1.00 0.00 C ATOM 560 C ASN A 35 -12.227 7.224 -6.019 1.00 0.00 C ATOM 561 O ASN A 35 -11.942 8.064 -5.165 1.00 0.00 O ATOM 562 CB ASN A 35 -13.461 5.546 -4.635 1.00 0.00 C ATOM 563 CG ASN A 35 -14.762 6.194 -5.069 1.00 0.00 C ATOM 564 OD1 ASN A 35 -14.893 7.489 -4.807 1.00 0.00 O flip ATOM 565 ND2 ASN A 35 -15.637 5.538 -5.634 1.00 0.00 N flip ATOM 0 H ASN A 35 -10.594 5.889 -4.503 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.576 5.186 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.623 4.479 -4.483 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.154 5.962 -3.675 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.493 4.545 -5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.506 5.988 -5.921 1.00 0.00 H new ATOM 572 N SER A 36 -12.452 7.534 -7.292 1.00 0.00 N ATOM 573 CA SER A 36 -12.372 8.910 -7.770 1.00 0.00 C ATOM 574 C SER A 36 -13.633 9.291 -8.540 1.00 0.00 C ATOM 575 O SER A 36 -13.627 10.228 -9.339 1.00 0.00 O ATOM 576 CB SER A 36 -11.142 9.092 -8.660 1.00 0.00 C ATOM 577 OG SER A 36 -10.683 7.847 -9.157 1.00 0.00 O ATOM 0 H SER A 36 -12.691 6.851 -8.011 1.00 0.00 H new ATOM 0 HA SER A 36 -12.284 9.566 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.386 9.752 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.347 9.576 -8.093 1.00 0.00 H new ATOM 0 HG SER A 36 -9.897 7.991 -9.724 1.00 0.00 H new ATOM 583 N THR A 37 -14.714 8.557 -8.295 1.00 0.00 N ATOM 584 CA THR A 37 -15.982 8.816 -8.965 1.00 0.00 C ATOM 585 C THR A 37 -16.421 10.263 -8.770 1.00 0.00 C ATOM 586 O THR A 37 -17.157 10.813 -9.588 1.00 0.00 O ATOM 587 CB THR A 37 -17.091 7.881 -8.449 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.283 8.061 -9.222 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.387 8.151 -6.981 1.00 0.00 C ATOM 0 H THR A 37 -14.736 7.778 -7.637 1.00 0.00 H new ATOM 0 HA THR A 37 -15.823 8.627 -10.027 1.00 0.00 H new ATOM 0 HB THR A 37 -16.745 6.852 -8.550 1.00 0.00 H new ATOM 0 HG1 THR A 37 -18.983 7.462 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.174 7.479 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.485 7.985 -6.391 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.714 9.184 -6.860 1.00 0.00 H new ATOM 597 N ASN A 38 -15.964 10.874 -7.682 1.00 0.00 N ATOM 598 CA ASN A 38 -16.311 12.258 -7.380 1.00 0.00 C ATOM 599 C ASN A 38 -15.216 13.209 -7.855 1.00 0.00 C ATOM 600 O ASN A 38 -14.195 12.779 -8.393 1.00 0.00 O ATOM 601 CB ASN A 38 -16.537 12.433 -5.877 1.00 0.00 C ATOM 602 CG ASN A 38 -18.001 12.628 -5.532 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.799 11.695 -5.617 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.359 13.845 -5.140 1.00 0.00 N ATOM 0 H ASN A 38 -15.353 10.433 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.233 12.499 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.156 11.558 -5.351 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.966 13.291 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.330 14.037 -4.894 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.663 14.588 -5.084 1.00 0.00 H new ATOM 611 N LYS A 39 -15.435 14.503 -7.652 1.00 0.00 N ATOM 612 CA LYS A 39 -14.468 15.516 -8.057 1.00 0.00 C ATOM 613 C LYS A 39 -13.989 16.323 -6.854 1.00 0.00 C ATOM 614 O LYS A 39 -13.018 17.075 -6.945 1.00 0.00 O ATOM 615 CB LYS A 39 -15.084 16.452 -9.099 1.00 0.00 C ATOM 616 CG LYS A 39 -16.291 17.220 -8.589 1.00 0.00 C ATOM 617 CD LYS A 39 -17.215 17.626 -9.725 1.00 0.00 C ATOM 618 CE LYS A 39 -18.509 18.231 -9.202 1.00 0.00 C ATOM 619 NZ LYS A 39 -19.385 18.707 -10.308 1.00 0.00 N ATOM 0 H LYS A 39 -16.275 14.876 -7.209 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.610 15.007 -8.497 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.326 17.162 -9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.378 15.868 -9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.839 16.605 -7.875 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.958 18.109 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.709 18.347 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.442 16.755 -10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.043 17.489 -8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.278 19.064 -8.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.256 19.112 -9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.885 19.434 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.626 17.908 -10.928 1.00 0.00 H new ATOM 633 N ASP A 40 -14.675 16.161 -5.728 1.00 0.00 N ATOM 634 CA ASP A 40 -14.317 16.872 -4.506 1.00 0.00 C ATOM 635 C ASP A 40 -13.555 15.960 -3.549 1.00 0.00 C ATOM 636 O ASP A 40 -12.379 16.187 -3.265 1.00 0.00 O ATOM 637 CB ASP A 40 -15.573 17.415 -3.821 1.00 0.00 C ATOM 638 CG ASP A 40 -16.491 18.140 -4.786 1.00 0.00 C ATOM 639 OD1 ASP A 40 -16.052 19.148 -5.379 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.647 17.699 -4.948 1.00 0.00 O ATOM 0 H ASP A 40 -15.482 15.544 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.670 17.706 -4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.116 16.591 -3.357 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -15.282 18.095 -3.021 1.00 0.00 H new ATOM 645 N TRP A 41 -14.233 14.930 -3.056 1.00 0.00 N ATOM 646 CA TRP A 41 -13.620 13.985 -2.130 1.00 0.00 C ATOM 647 C TRP A 41 -13.098 12.759 -2.871 1.00 0.00 C ATOM 648 O TRP A 41 -13.846 12.087 -3.582 1.00 0.00 O ATOM 649 CB TRP A 41 -14.628 13.560 -1.061 1.00 0.00 C ATOM 650 CG TRP A 41 -14.967 14.655 -0.096 1.00 0.00 C ATOM 651 CD1 TRP A 41 -16.146 15.341 -0.016 1.00 0.00 C ATOM 652 CD2 TRP A 41 -14.119 15.191 0.925 1.00 0.00 C ATOM 653 NE1 TRP A 41 -16.081 16.272 0.993 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.848 16.199 1.586 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.815 14.917 1.347 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.315 16.932 2.643 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.287 15.645 2.396 1.00 0.00 C ATOM 658 CH2 TRP A 41 -13.036 16.642 3.035 1.00 0.00 C ATOM 0 H TRP A 41 -15.207 14.728 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.778 14.481 -1.648 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.542 13.219 -1.548 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.225 12.711 -0.509 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -17.003 15.176 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.829 16.913 1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.230 14.150 0.862 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.890 17.702 3.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.280 15.442 2.729 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.595 17.193 3.853 1.00 0.00 H new ATOM 669 N TRP A 42 -11.813 12.472 -2.699 1.00 0.00 N ATOM 670 CA TRP A 42 -11.192 11.325 -3.352 1.00 0.00 C ATOM 671 C TRP A 42 -10.718 10.304 -2.324 1.00 0.00 C ATOM 672 O TRP A 42 -10.107 10.660 -1.316 1.00 0.00 O ATOM 673 CB TRP A 42 -10.015 11.780 -4.217 1.00 0.00 C ATOM 674 CG TRP A 42 -10.408 12.128 -5.620 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.674 12.337 -6.089 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.531 12.304 -6.738 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.636 12.633 -7.430 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.333 12.620 -7.852 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.145 12.228 -6.905 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.794 12.857 -9.113 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.612 12.463 -8.158 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.435 12.776 -9.249 1.00 0.00 C ATOM 0 H TRP A 42 -11.181 13.017 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.940 10.852 -3.988 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.547 12.648 -3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.265 10.989 -4.243 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.573 12.278 -5.493 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.447 12.830 -8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.503 11.990 -6.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.427 13.097 -9.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.543 12.405 -8.299 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.988 12.957 -10.215 1.00 0.00 H new ATOM 693 N LYS A 43 -11.004 9.033 -2.584 1.00 0.00 N ATOM 694 CA LYS A 43 -10.606 7.959 -1.682 1.00 0.00 C ATOM 695 C LYS A 43 -9.309 7.307 -2.150 1.00 0.00 C ATOM 696 O LYS A 43 -9.208 6.849 -3.288 1.00 0.00 O ATOM 697 CB LYS A 43 -11.713 6.906 -1.589 1.00 0.00 C ATOM 698 CG LYS A 43 -13.111 7.498 -1.537 1.00 0.00 C ATOM 699 CD LYS A 43 -14.051 6.636 -0.709 1.00 0.00 C ATOM 700 CE LYS A 43 -14.321 5.300 -1.383 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.504 5.364 -2.286 1.00 0.00 N ATOM 0 H LYS A 43 -11.510 8.721 -3.413 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.440 8.391 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.642 6.239 -2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.551 6.298 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.067 8.501 -1.113 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.503 7.597 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.618 6.466 0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.992 7.165 -0.557 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.444 4.998 -1.955 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.485 4.536 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.381 4.690 -3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.362 5.121 -1.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.596 6.326 -2.670 1.00 0.00 H new ATOM 715 N VAL A 44 -8.318 7.268 -1.265 1.00 0.00 N ATOM 716 CA VAL A 44 -7.028 6.670 -1.587 1.00 0.00 C ATOM 717 C VAL A 44 -6.582 5.704 -0.495 1.00 0.00 C ATOM 718 O VAL A 44 -6.987 5.828 0.660 1.00 0.00 O ATOM 719 CB VAL A 44 -5.943 7.746 -1.781 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.007 8.322 -3.187 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.091 8.844 -0.739 1.00 0.00 C ATOM 0 H VAL A 44 -8.384 7.644 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.157 6.123 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.966 7.280 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.233 9.080 -3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.849 7.526 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.985 8.774 -3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.317 9.596 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.072 9.309 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.990 8.415 0.258 1.00 0.00 H new ATOM 731 N GLU A 45 -5.743 4.743 -0.869 1.00 0.00 N ATOM 732 CA GLU A 45 -5.242 3.756 0.080 1.00 0.00 C ATOM 733 C GLU A 45 -3.804 4.071 0.484 1.00 0.00 C ATOM 734 O GLU A 45 -2.978 4.436 -0.353 1.00 0.00 O ATOM 735 CB GLU A 45 -5.317 2.351 -0.523 1.00 0.00 C ATOM 736 CG GLU A 45 -5.552 1.259 0.506 1.00 0.00 C ATOM 737 CD GLU A 45 -5.896 -0.075 -0.127 1.00 0.00 C ATOM 738 OE1 GLU A 45 -7.093 -0.316 -0.392 1.00 0.00 O ATOM 739 OE2 GLU A 45 -4.968 -0.879 -0.359 1.00 0.00 O ATOM 0 H GLU A 45 -5.396 4.627 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.869 3.795 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.120 2.323 -1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.389 2.143 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.659 1.146 1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.361 1.560 1.172 1.00 0.00 H new ATOM 746 N VAL A 46 -3.513 3.927 1.773 1.00 0.00 N ATOM 747 CA VAL A 46 -2.176 4.195 2.289 1.00 0.00 C ATOM 748 C VAL A 46 -1.607 2.973 3.001 1.00 0.00 C ATOM 749 O VAL A 46 -2.261 1.935 3.096 1.00 0.00 O ATOM 750 CB VAL A 46 -2.180 5.388 3.264 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.780 6.618 2.600 1.00 0.00 C ATOM 752 CG2 VAL A 46 -2.937 5.034 4.535 1.00 0.00 C ATOM 0 H VAL A 46 -4.185 3.626 2.479 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.548 4.438 1.432 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.150 5.618 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.775 7.450 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.191 6.881 1.722 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.805 6.405 2.298 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.930 5.888 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.967 4.777 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.458 4.183 5.019 1.00 0.00 H new ATOM 762 N LYS A 47 -0.383 3.104 3.501 1.00 0.00 N ATOM 763 CA LYS A 47 0.277 2.011 4.206 1.00 0.00 C ATOM 764 C LYS A 47 0.735 2.456 5.592 1.00 0.00 C ATOM 765 O LYS A 47 1.567 3.355 5.721 1.00 0.00 O ATOM 766 CB LYS A 47 1.475 1.505 3.400 1.00 0.00 C ATOM 767 CG LYS A 47 1.945 0.121 3.813 1.00 0.00 C ATOM 768 CD LYS A 47 1.220 -0.968 3.041 1.00 0.00 C ATOM 769 CE LYS A 47 1.970 -2.290 3.105 1.00 0.00 C ATOM 770 NZ LYS A 47 2.919 -2.445 1.968 1.00 0.00 N ATOM 0 H LYS A 47 0.172 3.957 3.431 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.443 1.201 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.210 1.489 2.343 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.300 2.208 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.018 0.035 3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.779 -0.017 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.217 -1.097 3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.105 -0.663 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.517 -2.352 4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.256 -3.113 3.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.410 -3.358 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.394 -2.411 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.616 -1.674 1.990 1.00 0.00 H new ATOM 784 N ILE A 48 0.188 1.821 6.623 1.00 0.00 N ATOM 785 CA ILE A 48 0.544 2.151 7.998 1.00 0.00 C ATOM 786 C ILE A 48 1.401 1.055 8.622 1.00 0.00 C ATOM 787 O ILE A 48 1.286 -0.118 8.264 1.00 0.00 O ATOM 788 CB ILE A 48 -0.709 2.365 8.867 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.690 3.305 8.164 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.320 2.919 10.229 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.691 2.587 7.285 1.00 0.00 C ATOM 0 H ILE A 48 -0.503 1.076 6.533 1.00 0.00 H new ATOM 0 HA ILE A 48 1.115 3.079 7.963 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.200 1.403 9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.228 3.884 8.915 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.129 4.015 7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.216 3.065 10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.345 2.216 10.731 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.191 3.873 10.101 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.354 3.316 6.819 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.162 2.030 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.278 1.897 7.891 1.00 0.00 H new ATOM 803 N THR A 49 2.259 1.444 9.559 1.00 0.00 N ATOM 804 CA THR A 49 3.136 0.495 10.234 1.00 0.00 C ATOM 805 C THR A 49 2.923 0.528 11.743 1.00 0.00 C ATOM 806 O THR A 49 3.339 1.469 12.419 1.00 0.00 O ATOM 807 CB THR A 49 4.618 0.785 9.930 1.00 0.00 C ATOM 808 OG1 THR A 49 4.856 0.693 8.521 1.00 0.00 O ATOM 809 CG2 THR A 49 5.522 -0.192 10.667 1.00 0.00 C ATOM 0 H THR A 49 2.366 2.410 9.868 1.00 0.00 H new ATOM 0 HA THR A 49 2.882 -0.495 9.855 1.00 0.00 H new ATOM 0 HB THR A 49 4.846 1.795 10.271 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.800 0.880 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.564 0.032 10.437 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.359 -0.099 11.741 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.292 -1.210 10.352 1.00 0.00 H new ATOM 817 N VAL A 50 2.272 -0.507 12.267 1.00 0.00 N ATOM 818 CA VAL A 50 2.005 -0.598 13.697 1.00 0.00 C ATOM 819 C VAL A 50 2.583 -1.881 14.284 1.00 0.00 C ATOM 820 O VAL A 50 2.287 -2.978 13.813 1.00 0.00 O ATOM 821 CB VAL A 50 0.494 -0.547 13.991 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.239 -0.597 15.489 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.126 0.700 13.377 1.00 0.00 C ATOM 0 H VAL A 50 1.920 -1.294 11.722 1.00 0.00 H new ATOM 0 HA VAL A 50 2.487 0.261 14.164 1.00 0.00 H new ATOM 0 HB VAL A 50 0.024 -1.420 13.538 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.834 -0.560 15.677 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.647 -1.522 15.897 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.721 0.255 15.969 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.194 0.720 13.594 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.347 1.587 13.799 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.024 0.687 12.297 1.00 0.00 H new ATOM 833 N ASN A 51 3.408 -1.734 15.315 1.00 0.00 N ATOM 834 CA ASN A 51 4.028 -2.882 15.967 1.00 0.00 C ATOM 835 C ASN A 51 4.815 -3.719 14.963 1.00 0.00 C ATOM 836 O ASN A 51 4.909 -4.938 15.094 1.00 0.00 O ATOM 837 CB ASN A 51 2.963 -3.747 16.644 1.00 0.00 C ATOM 838 CG ASN A 51 3.555 -4.702 17.663 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.584 -5.914 17.450 1.00 0.00 O ATOM 840 ND2 ASN A 51 4.031 -4.158 18.777 1.00 0.00 N ATOM 0 H ASN A 51 3.663 -0.832 15.717 1.00 0.00 H new ATOM 0 HA ASN A 51 4.719 -2.509 16.723 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.234 -3.103 17.135 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.426 -4.317 15.886 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.442 -4.750 19.499 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.986 -3.148 18.911 1.00 0.00 H new ATOM 847 N GLY A 52 5.380 -3.053 13.960 1.00 0.00 N ATOM 848 CA GLY A 52 6.151 -3.751 12.948 1.00 0.00 C ATOM 849 C GLY A 52 5.274 -4.466 11.940 1.00 0.00 C ATOM 850 O GLY A 52 5.773 -5.148 11.044 1.00 0.00 O ATOM 0 H GLY A 52 5.317 -2.043 13.831 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.790 -3.038 12.427 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.808 -4.475 13.431 1.00 0.00 H new ATOM 854 N LYS A 53 3.962 -4.313 12.086 1.00 0.00 N ATOM 855 CA LYS A 53 3.012 -4.951 11.183 1.00 0.00 C ATOM 856 C LYS A 53 2.428 -3.936 10.204 1.00 0.00 C ATOM 857 O LYS A 53 1.883 -2.909 10.609 1.00 0.00 O ATOM 858 CB LYS A 53 1.885 -5.614 11.979 1.00 0.00 C ATOM 859 CG LYS A 53 2.232 -7.006 12.478 1.00 0.00 C ATOM 860 CD LYS A 53 3.320 -6.964 13.537 1.00 0.00 C ATOM 861 CE LYS A 53 3.561 -8.338 14.143 1.00 0.00 C ATOM 862 NZ LYS A 53 3.864 -9.358 13.101 1.00 0.00 N ATOM 0 H LYS A 53 3.532 -3.752 12.822 1.00 0.00 H new ATOM 0 HA LYS A 53 3.544 -5.714 10.615 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.634 -4.983 12.832 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.995 -5.673 11.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.340 -7.478 12.890 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.561 -7.622 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.245 -6.593 13.096 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.038 -6.263 14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.389 -8.283 14.849 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.681 -8.646 14.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.219 -10.224 13.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.999 -9.577 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.587 -8.987 12.452 1.00 0.00 H new ATOM 876 N THR A 54 2.544 -4.232 8.913 1.00 0.00 N ATOM 877 CA THR A 54 2.027 -3.347 7.877 1.00 0.00 C ATOM 878 C THR A 54 0.518 -3.503 7.723 1.00 0.00 C ATOM 879 O THR A 54 0.005 -4.619 7.642 1.00 0.00 O ATOM 880 CB THR A 54 2.701 -3.618 6.519 1.00 0.00 C ATOM 881 OG1 THR A 54 3.224 -4.951 6.489 1.00 0.00 O ATOM 882 CG2 THR A 54 3.822 -2.623 6.263 1.00 0.00 C ATOM 0 H THR A 54 2.992 -5.078 8.560 1.00 0.00 H new ATOM 0 HA THR A 54 2.254 -2.328 8.190 1.00 0.00 H new ATOM 0 HB THR A 54 1.950 -3.505 5.737 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.649 -5.116 5.622 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.283 -2.834 5.298 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.416 -1.611 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.572 -2.709 7.050 1.00 0.00 H new ATOM 890 N TYR A 55 -0.186 -2.377 7.681 1.00 0.00 N ATOM 891 CA TYR A 55 -1.637 -2.389 7.538 1.00 0.00 C ATOM 892 C TYR A 55 -2.073 -1.558 6.335 1.00 0.00 C ATOM 893 O TYR A 55 -1.419 -0.581 5.974 1.00 0.00 O ATOM 894 CB TYR A 55 -2.300 -1.855 8.809 1.00 0.00 C ATOM 895 CG TYR A 55 -2.148 -2.770 10.002 1.00 0.00 C ATOM 896 CD1 TYR A 55 -3.034 -3.819 10.216 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.119 -2.586 10.917 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.899 -4.658 11.305 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.975 -3.420 12.009 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.868 -4.454 12.199 1.00 0.00 C ATOM 901 OH TYR A 55 -1.729 -5.287 13.286 1.00 0.00 O ATOM 0 H TYR A 55 0.224 -1.445 7.744 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.952 -3.420 7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.871 -0.882 9.051 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.361 -1.697 8.616 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.842 -3.981 9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.419 -1.776 10.772 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.596 -5.469 11.456 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.168 -3.263 12.710 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.953 -5.007 13.815 1.00 0.00 H new ATOM 911 N GLU A 56 -3.183 -1.955 5.721 1.00 0.00 N ATOM 912 CA GLU A 56 -3.707 -1.247 4.559 1.00 0.00 C ATOM 913 C GLU A 56 -5.119 -0.733 4.825 1.00 0.00 C ATOM 914 O GLU A 56 -5.918 -1.397 5.485 1.00 0.00 O ATOM 915 CB GLU A 56 -3.709 -2.164 3.334 1.00 0.00 C ATOM 916 CG GLU A 56 -2.387 -2.181 2.584 1.00 0.00 C ATOM 917 CD GLU A 56 -2.201 -3.440 1.760 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.889 -4.443 2.043 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.366 -3.422 0.831 1.00 0.00 O ATOM 0 H GLU A 56 -3.736 -2.762 6.009 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.059 -0.392 4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.951 -3.179 3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.499 -1.846 2.654 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.334 -1.311 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.568 -2.094 3.297 1.00 0.00 H new ATOM 926 N ARG A 57 -5.417 0.455 4.308 1.00 0.00 N ATOM 927 CA ARG A 57 -6.731 1.059 4.491 1.00 0.00 C ATOM 928 C ARG A 57 -6.919 2.245 3.550 1.00 0.00 C ATOM 929 O ARG A 57 -5.948 2.836 3.079 1.00 0.00 O ATOM 930 CB ARG A 57 -6.910 1.512 5.942 1.00 0.00 C ATOM 931 CG ARG A 57 -6.118 2.762 6.292 1.00 0.00 C ATOM 932 CD ARG A 57 -6.108 3.013 7.791 1.00 0.00 C ATOM 933 NE ARG A 57 -5.509 1.903 8.528 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.274 1.930 9.835 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.586 3.005 10.546 1.00 0.00 N ATOM 936 NH2 ARG A 57 -4.726 0.881 10.434 1.00 0.00 N ATOM 0 H ARG A 57 -4.767 1.018 3.760 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.485 0.308 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.968 1.698 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.608 0.703 6.606 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.094 2.658 5.933 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.549 3.623 5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.555 3.928 8.002 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.129 3.170 8.139 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.257 1.061 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.008 3.814 10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.404 3.023 11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.484 0.052 9.891 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.546 0.903 11.438 1.00 0.00 H new ATOM 950 N GLN A 58 -8.175 2.587 3.281 1.00 0.00 N ATOM 951 CA GLN A 58 -8.491 3.702 2.395 1.00 0.00 C ATOM 952 C GLN A 58 -9.074 4.872 3.180 1.00 0.00 C ATOM 953 O GLN A 58 -9.800 4.679 4.154 1.00 0.00 O ATOM 954 CB GLN A 58 -9.475 3.257 1.312 1.00 0.00 C ATOM 955 CG GLN A 58 -10.905 3.118 1.809 1.00 0.00 C ATOM 956 CD GLN A 58 -11.870 2.725 0.708 1.00 0.00 C ATOM 957 OE1 GLN A 58 -11.795 3.421 -0.421 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.673 1.806 0.869 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.990 2.108 3.664 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.566 4.031 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.452 3.977 0.494 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.146 2.301 0.905 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.939 2.370 2.601 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.226 4.062 2.248 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.696 1.298 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.315 1.553 0.118 1.00 0.00 H new ATOM 967 N GLY A 59 -8.752 6.087 2.748 1.00 0.00 N ATOM 968 CA GLY A 59 -9.252 7.271 3.422 1.00 0.00 C ATOM 969 C GLY A 59 -9.695 8.347 2.450 1.00 0.00 C ATOM 970 O GLY A 59 -9.299 8.344 1.285 1.00 0.00 O ATOM 0 H GLY A 59 -8.154 6.273 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.091 6.995 4.061 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.474 7.671 4.072 1.00 0.00 H new ATOM 974 N PHE A 60 -10.522 9.271 2.930 1.00 0.00 N ATOM 975 CA PHE A 60 -11.023 10.356 2.095 1.00 0.00 C ATOM 976 C PHE A 60 -10.110 11.576 2.183 1.00 0.00 C ATOM 977 O PHE A 60 -9.591 11.901 3.252 1.00 0.00 O ATOM 978 CB PHE A 60 -12.444 10.738 2.514 1.00 0.00 C ATOM 979 CG PHE A 60 -13.324 9.553 2.796 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.333 8.964 4.050 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.142 9.030 1.808 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.141 7.873 4.312 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.952 7.940 2.064 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.953 7.362 3.318 1.00 0.00 C ATOM 0 H PHE A 60 -10.859 9.290 3.893 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.038 10.008 1.062 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.396 11.365 3.404 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.898 11.338 1.726 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.702 9.361 4.831 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.147 9.479 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.137 7.421 5.293 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.584 7.541 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.587 6.512 3.521 1.00 0.00 H new ATOM 994 N VAL A 61 -9.917 12.247 1.052 1.00 0.00 N ATOM 995 CA VAL A 61 -9.067 13.431 1.001 1.00 0.00 C ATOM 996 C VAL A 61 -9.497 14.367 -0.123 1.00 0.00 C ATOM 997 O VAL A 61 -10.114 13.955 -1.106 1.00 0.00 O ATOM 998 CB VAL A 61 -7.588 13.051 0.801 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.987 12.540 2.102 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.448 12.015 -0.304 1.00 0.00 C ATOM 0 H VAL A 61 -10.338 11.991 0.159 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.177 13.942 1.957 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.039 13.944 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.942 12.276 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.052 13.318 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.536 11.659 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.396 11.759 -0.431 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.010 11.120 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.837 12.423 -1.237 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.163 15.658 0.022 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.503 16.680 -0.972 1.00 0.00 C ATOM 1012 C PRO A 62 -8.710 16.519 -2.264 1.00 0.00 C ATOM 1013 O PRO A 62 -7.496 16.720 -2.287 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.130 17.991 -0.275 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.081 17.609 0.712 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.427 16.219 1.168 1.00 0.00 C ATOM 0 HA PRO A 62 -10.549 16.624 -1.272 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.755 18.726 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.994 18.437 0.218 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.090 17.635 0.258 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.065 18.303 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.534 15.637 1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.038 16.232 2.071 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.404 16.155 -3.338 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.764 15.970 -4.634 1.00 0.00 C ATOM 1026 C ALA A 63 -8.098 17.258 -5.107 1.00 0.00 C ATOM 1027 O ALA A 63 -7.071 17.224 -5.784 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.780 15.491 -5.661 1.00 0.00 C ATOM 0 H ALA A 63 -10.409 15.983 -3.335 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.990 15.211 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.288 15.357 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.206 14.542 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.575 16.231 -5.759 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.690 18.392 -4.746 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.154 19.690 -5.133 1.00 0.00 C ATOM 1036 C ALA A 64 -6.750 19.893 -4.574 1.00 0.00 C ATOM 1037 O ALA A 64 -6.004 20.755 -5.040 1.00 0.00 O ATOM 1038 CB ALA A 64 -9.077 20.804 -4.662 1.00 0.00 C ATOM 0 H ALA A 64 -9.541 18.437 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.092 19.720 -6.221 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.664 21.768 -4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.061 20.677 -5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.168 20.766 -3.576 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.395 19.094 -3.574 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.081 19.187 -2.949 1.00 0.00 C ATOM 1046 C TYR A 65 -4.116 18.173 -3.556 1.00 0.00 C ATOM 1047 O TYR A 65 -2.901 18.280 -3.392 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.193 18.963 -1.440 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.554 20.211 -0.668 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.611 21.019 -1.069 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.839 20.583 0.464 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.944 22.161 -0.367 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.166 21.722 1.173 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.219 22.508 0.754 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.547 23.645 1.457 1.00 0.00 O ATOM 0 H TYR A 65 -7.000 18.374 -3.179 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.690 20.188 -3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.946 18.198 -1.250 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.244 18.577 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.182 20.749 -1.945 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.013 19.971 0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.767 22.779 -0.694 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.600 21.996 2.051 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.940 23.745 2.220 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.668 17.188 -4.258 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.857 16.154 -4.891 1.00 0.00 C ATOM 1067 C VAL A 66 -4.059 16.147 -6.402 1.00 0.00 C ATOM 1068 O VAL A 66 -4.767 16.993 -6.950 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.192 14.758 -4.333 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -4.075 14.747 -2.816 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.585 14.330 -4.771 1.00 0.00 C ATOM 0 H VAL A 66 -5.672 17.084 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.816 16.386 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.474 14.043 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.315 13.753 -2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.057 15.008 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.769 15.473 -2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.805 13.342 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.319 15.045 -4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.630 14.296 -5.860 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.432 15.187 -7.072 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.542 15.067 -8.521 1.00 0.00 C ATOM 1083 C LYS A 67 -3.120 13.677 -8.986 1.00 0.00 C ATOM 1084 O LYS A 67 -2.617 12.874 -8.200 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.682 16.129 -9.209 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.193 15.958 -8.964 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.368 16.720 -9.988 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.261 15.955 -11.298 1.00 0.00 C ATOM 1089 NZ LYS A 67 0.292 16.801 -12.391 1.00 0.00 N ATOM 0 H LYS A 67 -2.842 14.480 -6.634 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.586 15.221 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.871 16.098 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.988 17.115 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.946 16.309 -7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.936 14.899 -9.003 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.822 17.694 -10.170 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.630 16.903 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.376 15.082 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.246 15.588 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.349 16.243 -13.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.329 17.621 -12.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.243 17.130 -12.128 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.326 13.398 -10.269 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.965 12.106 -10.840 1.00 0.00 C ATOM 1105 C LYS A 68 -1.463 12.024 -11.091 1.00 0.00 C ATOM 1106 O LYS A 68 -0.836 13.003 -11.498 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.725 11.873 -12.147 1.00 0.00 C ATOM 1108 CG LYS A 68 -5.013 11.088 -11.970 1.00 0.00 C ATOM 1109 CD LYS A 68 -5.989 11.355 -13.104 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.589 10.610 -14.369 1.00 0.00 C ATOM 1111 NZ LYS A 68 -6.042 9.192 -14.344 1.00 0.00 N ATOM 0 H LYS A 68 -3.742 14.051 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.239 11.331 -10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.956 12.837 -12.600 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.078 11.341 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.788 10.022 -11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.476 11.355 -11.020 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.991 11.051 -12.802 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.029 12.425 -13.307 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.016 11.112 -15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.505 10.643 -14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.750 8.719 -15.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.614 8.705 -13.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.078 9.160 -14.261 1.00 0.00 H new