USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=17 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 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.6) 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= -0.354 USER MOD Single : A 25 MET CE :methyl -121:sc= -7.08! (180deg=-12.8!) USER MOD Single : A 26 LYS NZ :NH3+ 137:sc= 0.616 (180deg=-0.0791) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= -0.123 (180deg=-0.589) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.452 X(o=-0.45,f=0) 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=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0.00628 (180deg=0.00184) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 0.344 (180deg=-0.486) USER MOD Single : A 47 LYS NZ :NH3+ -155:sc= -0.409 (180deg=-1.45!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0838 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -1.88 X(o=-1.9,f=-1.5) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.872 3.153 -10.350 1.00 0.00 N ATOM 89 CA GLU A 7 -4.153 4.582 -10.412 1.00 0.00 C ATOM 90 C GLU A 7 -3.589 5.302 -9.190 1.00 0.00 C ATOM 91 O GLU A 7 -4.284 5.491 -8.191 1.00 0.00 O ATOM 92 CB GLU A 7 -5.661 4.824 -10.509 1.00 0.00 C ATOM 93 CG GLU A 7 -6.200 4.753 -11.928 1.00 0.00 C ATOM 94 CD GLU A 7 -6.468 3.330 -12.379 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.274 2.642 -11.719 1.00 0.00 O ATOM 96 OE2 GLU A 7 -5.873 2.906 -13.392 1.00 0.00 O ATOM 0 HA GLU A 7 -3.670 4.983 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.179 4.087 -9.896 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.891 5.804 -10.091 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.122 5.330 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.486 5.217 -12.608 1.00 0.00 H new ATOM 103 N LEU A 8 -2.325 5.699 -9.277 1.00 0.00 N ATOM 104 CA LEU A 8 -1.665 6.397 -8.179 1.00 0.00 C ATOM 105 C LEU A 8 -1.836 7.907 -8.313 1.00 0.00 C ATOM 106 O LEU A 8 -1.968 8.432 -9.419 1.00 0.00 O ATOM 107 CB LEU A 8 -0.177 6.042 -8.143 1.00 0.00 C ATOM 108 CG LEU A 8 0.165 4.636 -7.650 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.545 4.221 -8.137 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.091 4.570 -6.132 1.00 0.00 C ATOM 0 H LEU A 8 -1.736 5.550 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.131 6.078 -7.246 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.229 6.162 -9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.333 6.763 -7.505 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.567 3.940 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.772 3.218 -7.776 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.563 4.228 -9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.290 4.920 -7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.337 3.562 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.800 5.278 -5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.918 4.823 -5.806 1.00 0.00 H new ATOM 122 N VAL A 9 -1.831 8.601 -7.179 1.00 0.00 N ATOM 123 CA VAL A 9 -1.982 10.051 -7.169 1.00 0.00 C ATOM 124 C VAL A 9 -0.885 10.712 -6.342 1.00 0.00 C ATOM 125 O VAL A 9 -0.399 10.140 -5.365 1.00 0.00 O ATOM 126 CB VAL A 9 -3.355 10.469 -6.610 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.466 10.072 -7.570 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.580 9.853 -5.237 1.00 0.00 C ATOM 0 H VAL A 9 -1.724 8.182 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.903 10.385 -8.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.370 11.554 -6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.428 10.375 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.311 10.564 -8.530 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.456 8.991 -7.711 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.555 10.158 -4.856 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.545 8.766 -5.316 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.801 10.192 -4.554 1.00 0.00 H new ATOM 138 N LEU A 10 -0.500 11.920 -6.738 1.00 0.00 N ATOM 139 CA LEU A 10 0.539 12.662 -6.032 1.00 0.00 C ATOM 140 C LEU A 10 -0.062 13.803 -5.219 1.00 0.00 C ATOM 141 O LEU A 10 -0.915 14.544 -5.707 1.00 0.00 O ATOM 142 CB LEU A 10 1.564 13.212 -7.026 1.00 0.00 C ATOM 143 CG LEU A 10 2.553 14.238 -6.471 1.00 0.00 C ATOM 144 CD1 LEU A 10 3.455 13.600 -5.426 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.381 14.844 -7.595 1.00 0.00 C ATOM 0 H LEU A 10 -0.892 12.407 -7.544 1.00 0.00 H new ATOM 0 HA LEU A 10 1.038 11.977 -5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.130 12.375 -7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.026 13.668 -7.857 1.00 0.00 H new ATOM 0 HG LEU A 10 1.987 15.037 -5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.152 14.345 -5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.847 13.216 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.013 12.781 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.079 15.572 -7.181 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.937 14.056 -8.103 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.721 15.339 -8.307 1.00 0.00 H new ATOM 157 N ALA A 11 0.390 13.940 -3.977 1.00 0.00 N ATOM 158 CA ALA A 11 -0.100 14.994 -3.097 1.00 0.00 C ATOM 159 C ALA A 11 0.684 16.286 -3.299 1.00 0.00 C ATOM 160 O ALA A 11 1.908 16.310 -3.161 1.00 0.00 O ATOM 161 CB ALA A 11 -0.022 14.548 -1.645 1.00 0.00 C ATOM 0 H ALA A 11 1.095 13.334 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.142 15.189 -3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.391 15.345 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.632 13.656 -1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.013 14.323 -1.388 1.00 0.00 H new ATOM 167 N LEU A 12 -0.027 17.359 -3.627 1.00 0.00 N ATOM 168 CA LEU A 12 0.603 18.656 -3.848 1.00 0.00 C ATOM 169 C LEU A 12 0.694 19.446 -2.546 1.00 0.00 C ATOM 170 O LEU A 12 1.630 20.221 -2.343 1.00 0.00 O ATOM 171 CB LEU A 12 -0.182 19.456 -4.889 1.00 0.00 C ATOM 172 CG LEU A 12 -0.325 18.807 -6.266 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.008 19.758 -7.236 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.036 18.383 -6.800 1.00 0.00 C ATOM 0 H LEU A 12 -1.040 17.357 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 12 1.613 18.483 -4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.180 19.647 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.302 20.424 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.946 17.917 -6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.101 19.279 -8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.999 20.011 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.414 20.667 -7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.915 17.923 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.681 19.257 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.488 17.665 -6.116 1.00 0.00 H new ATOM 186 N TYR A 13 -0.281 19.244 -1.668 1.00 0.00 N ATOM 187 CA TYR A 13 -0.311 19.937 -0.385 1.00 0.00 C ATOM 188 C TYR A 13 -0.301 18.943 0.772 1.00 0.00 C ATOM 189 O TYR A 13 -0.410 17.734 0.567 1.00 0.00 O ATOM 190 CB TYR A 13 -1.549 20.831 -0.294 1.00 0.00 C ATOM 191 CG TYR A 13 -1.577 21.934 -1.329 1.00 0.00 C ATOM 192 CD1 TYR A 13 -1.858 21.656 -2.661 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.322 23.253 -0.974 1.00 0.00 C ATOM 194 CE1 TYR A 13 -1.885 22.660 -3.610 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.348 24.263 -1.916 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.629 23.961 -3.232 1.00 0.00 C ATOM 197 OH TYR A 13 -1.655 24.965 -4.174 1.00 0.00 O ATOM 0 H TYR A 13 -1.062 18.606 -1.821 1.00 0.00 H new ATOM 0 HA TYR A 13 0.583 20.557 -0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.441 20.215 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.593 21.276 0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.059 20.638 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.100 23.492 0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.105 22.427 -4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.149 25.284 -1.624 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.455 25.822 -3.744 1.00 0.00 H new ATOM 207 N ASP A 14 -0.170 19.463 1.988 1.00 0.00 N ATOM 208 CA ASP A 14 -0.148 18.622 3.179 1.00 0.00 C ATOM 209 C ASP A 14 -1.478 18.698 3.923 1.00 0.00 C ATOM 210 O ASP A 14 -1.761 19.680 4.610 1.00 0.00 O ATOM 211 CB ASP A 14 0.993 19.045 4.106 1.00 0.00 C ATOM 212 CG ASP A 14 0.777 18.590 5.536 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.898 17.374 5.795 1.00 0.00 O ATOM 214 OD2 ASP A 14 0.487 19.448 6.395 1.00 0.00 O ATOM 0 H ASP A 14 -0.078 20.462 2.174 1.00 0.00 H new ATOM 0 HA ASP A 14 0.013 17.591 2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.931 18.632 3.734 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.091 20.130 4.084 1.00 0.00 H new ATOM 219 N TYR A 15 -2.290 17.657 3.780 1.00 0.00 N ATOM 220 CA TYR A 15 -3.591 17.607 4.435 1.00 0.00 C ATOM 221 C TYR A 15 -3.517 16.812 5.735 1.00 0.00 C ATOM 222 O TYR A 15 -2.605 16.009 5.932 1.00 0.00 O ATOM 223 CB TYR A 15 -4.632 16.985 3.502 1.00 0.00 C ATOM 224 CG TYR A 15 -6.048 17.087 4.021 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.637 18.325 4.251 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.798 15.947 4.281 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.930 18.423 4.725 1.00 0.00 C ATOM 228 CE2 TYR A 15 -8.093 16.036 4.754 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.654 17.276 4.975 1.00 0.00 C ATOM 230 OH TYR A 15 -9.943 17.369 5.448 1.00 0.00 O ATOM 0 H TYR A 15 -2.070 16.836 3.216 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.889 18.628 4.672 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.574 17.474 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.386 15.935 3.346 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.074 19.225 4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.361 14.974 4.110 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.372 19.393 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.663 15.140 4.950 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.312 16.470 5.570 1.00 0.00 H new ATOM 240 N GLN A 16 -4.484 17.041 6.617 1.00 0.00 N ATOM 241 CA GLN A 16 -4.528 16.347 7.899 1.00 0.00 C ATOM 242 C GLN A 16 -5.856 15.618 8.077 1.00 0.00 C ATOM 243 O GLN A 16 -6.918 16.161 7.774 1.00 0.00 O ATOM 244 CB GLN A 16 -4.318 17.336 9.047 1.00 0.00 C ATOM 245 CG GLN A 16 -5.546 18.177 9.358 1.00 0.00 C ATOM 246 CD GLN A 16 -5.919 19.108 8.221 1.00 0.00 C ATOM 247 OE1 GLN A 16 -5.063 19.784 7.650 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.203 19.147 7.885 1.00 0.00 N ATOM 0 H GLN A 16 -5.247 17.701 6.468 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.724 15.611 7.913 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.029 16.785 9.942 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.488 17.998 8.798 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.387 17.519 9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.361 18.764 10.258 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.879 18.570 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -7.513 19.754 7.127 1.00 0.00 H new ATOM 257 N GLU A 17 -5.787 14.385 8.570 1.00 0.00 N ATOM 258 CA GLU A 17 -6.984 13.582 8.786 1.00 0.00 C ATOM 259 C GLU A 17 -7.593 13.871 10.155 1.00 0.00 C ATOM 260 O GLU A 17 -6.923 13.761 11.182 1.00 0.00 O ATOM 261 CB GLU A 17 -6.655 12.092 8.667 1.00 0.00 C ATOM 262 CG GLU A 17 -5.645 11.608 9.695 1.00 0.00 C ATOM 263 CD GLU A 17 -6.304 11.038 10.936 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.537 11.184 11.072 1.00 0.00 O ATOM 265 OE2 GLU A 17 -5.587 10.447 11.770 1.00 0.00 O ATOM 0 H GLU A 17 -4.916 13.921 8.827 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.712 13.848 8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.574 11.516 8.774 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.268 11.893 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.009 10.847 9.244 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.997 12.437 9.980 1.00 0.00 H new ATOM 272 N LYS A 18 -8.869 14.243 10.162 1.00 0.00 N ATOM 273 CA LYS A 18 -9.571 14.548 11.403 1.00 0.00 C ATOM 274 C LYS A 18 -10.370 13.342 11.887 1.00 0.00 C ATOM 275 O LYS A 18 -10.671 13.222 13.075 1.00 0.00 O ATOM 276 CB LYS A 18 -10.504 15.745 11.204 1.00 0.00 C ATOM 277 CG LYS A 18 -11.158 16.225 12.488 1.00 0.00 C ATOM 278 CD LYS A 18 -12.544 15.629 12.664 1.00 0.00 C ATOM 279 CE LYS A 18 -12.868 15.396 14.132 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.336 15.416 14.386 1.00 0.00 N ATOM 0 H LYS A 18 -9.438 14.340 9.321 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.827 14.796 12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.939 16.567 10.765 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.281 15.475 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.533 15.954 13.339 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.227 17.313 12.478 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.287 16.297 12.228 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.607 14.685 12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.458 14.436 14.447 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.384 16.163 14.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.516 15.254 15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.724 16.341 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.795 14.668 13.828 1.00 0.00 H new ATOM 294 N SER A 19 -10.708 12.451 10.961 1.00 0.00 N ATOM 295 CA SER A 19 -11.474 11.256 11.293 1.00 0.00 C ATOM 296 C SER A 19 -10.668 9.995 10.998 1.00 0.00 C ATOM 297 O SER A 19 -9.699 10.010 10.238 1.00 0.00 O ATOM 298 CB SER A 19 -12.787 11.231 10.508 1.00 0.00 C ATOM 299 OG SER A 19 -13.051 12.491 9.915 1.00 0.00 O ATOM 0 H SER A 19 -10.463 12.534 9.974 1.00 0.00 H new ATOM 0 HA SER A 19 -11.697 11.283 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.737 10.465 9.734 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.607 10.960 11.173 1.00 0.00 H new ATOM 0 HG SER A 19 -13.894 12.448 9.418 1.00 0.00 H new ATOM 305 N PRO A 20 -11.076 8.875 11.614 1.00 0.00 N ATOM 306 CA PRO A 20 -10.407 7.584 11.434 1.00 0.00 C ATOM 307 C PRO A 20 -10.620 7.010 10.037 1.00 0.00 C ATOM 308 O PRO A 20 -10.002 6.013 9.664 1.00 0.00 O ATOM 309 CB PRO A 20 -11.070 6.691 12.485 1.00 0.00 C ATOM 310 CG PRO A 20 -12.409 7.303 12.712 1.00 0.00 C ATOM 311 CD PRO A 20 -12.223 8.784 12.533 1.00 0.00 C ATOM 0 HA PRO A 20 -9.326 7.667 11.546 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.159 5.664 12.132 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.487 6.663 13.405 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.141 6.913 12.005 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.778 7.074 13.712 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.113 9.253 12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.019 9.281 13.481 1.00 0.00 H new ATOM 319 N ARG A 21 -11.498 7.647 9.269 1.00 0.00 N ATOM 320 CA ARG A 21 -11.792 7.199 7.913 1.00 0.00 C ATOM 321 C ARG A 21 -10.881 7.889 6.902 1.00 0.00 C ATOM 322 O ARG A 21 -10.564 7.328 5.854 1.00 0.00 O ATOM 323 CB ARG A 21 -13.257 7.477 7.568 1.00 0.00 C ATOM 324 CG ARG A 21 -14.184 6.309 7.863 1.00 0.00 C ATOM 325 CD ARG A 21 -13.870 5.112 6.980 1.00 0.00 C ATOM 326 NE ARG A 21 -15.018 4.219 6.841 1.00 0.00 N ATOM 327 CZ ARG A 21 -15.422 3.388 7.795 1.00 0.00 C ATOM 328 NH1 ARG A 21 -14.777 3.337 8.952 1.00 0.00 N ATOM 329 NH2 ARG A 21 -16.476 2.607 7.593 1.00 0.00 N ATOM 0 H ARG A 21 -12.018 8.474 9.562 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.611 6.125 7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.595 8.349 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.331 7.730 6.510 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.090 6.024 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.218 6.616 7.708 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.560 5.460 5.995 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.030 4.560 7.402 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.538 4.235 5.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.968 3.937 9.112 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.090 2.698 9.683 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.976 2.645 6.705 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.786 1.969 8.326 1.00 0.00 H new ATOM 343 N GLU A 22 -10.465 9.110 7.225 1.00 0.00 N ATOM 344 CA GLU A 22 -9.592 9.877 6.344 1.00 0.00 C ATOM 345 C GLU A 22 -8.124 9.607 6.664 1.00 0.00 C ATOM 346 O GLU A 22 -7.785 9.194 7.773 1.00 0.00 O ATOM 347 CB GLU A 22 -9.887 11.372 6.472 1.00 0.00 C ATOM 348 CG GLU A 22 -11.329 11.737 6.161 1.00 0.00 C ATOM 349 CD GLU A 22 -11.551 13.236 6.099 1.00 0.00 C ATOM 350 OE1 GLU A 22 -11.150 13.934 7.053 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.126 13.710 5.097 1.00 0.00 O ATOM 0 H GLU A 22 -10.718 9.589 8.089 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.786 9.563 5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.650 11.695 7.486 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.229 11.922 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.615 11.291 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.981 11.308 6.922 1.00 0.00 H new ATOM 358 N VAL A 23 -7.258 9.844 5.684 1.00 0.00 N ATOM 359 CA VAL A 23 -5.826 9.629 5.860 1.00 0.00 C ATOM 360 C VAL A 23 -5.051 10.932 5.703 1.00 0.00 C ATOM 361 O VAL A 23 -5.553 11.902 5.134 1.00 0.00 O ATOM 362 CB VAL A 23 -5.286 8.597 4.852 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.674 7.187 5.271 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.793 8.905 3.452 1.00 0.00 C ATOM 0 H VAL A 23 -7.523 10.185 4.760 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.685 9.246 6.871 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.198 8.660 4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.284 6.472 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.257 6.972 6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.760 7.106 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.402 8.166 2.753 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.882 8.871 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.459 9.899 3.154 1.00 0.00 H new ATOM 374 N THR A 24 -3.822 10.948 6.210 1.00 0.00 N ATOM 375 CA THR A 24 -2.976 12.132 6.127 1.00 0.00 C ATOM 376 C THR A 24 -2.006 12.033 4.955 1.00 0.00 C ATOM 377 O THR A 24 -1.264 11.059 4.831 1.00 0.00 O ATOM 378 CB THR A 24 -2.174 12.342 7.425 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.069 12.516 8.530 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.263 13.554 7.308 1.00 0.00 C ATOM 0 H THR A 24 -3.390 10.154 6.683 1.00 0.00 H new ATOM 0 HA THR A 24 -3.639 12.984 5.976 1.00 0.00 H new ATOM 0 HB THR A 24 -1.557 11.459 7.593 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.552 12.647 9.352 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.707 13.682 8.237 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.565 13.406 6.484 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.864 14.444 7.119 1.00 0.00 H new ATOM 388 N MET A 25 -2.017 13.048 4.096 1.00 0.00 N ATOM 389 CA MET A 25 -1.136 13.075 2.935 1.00 0.00 C ATOM 390 C MET A 25 -0.298 14.349 2.918 1.00 0.00 C ATOM 391 O MET A 25 -0.829 15.456 3.019 1.00 0.00 O ATOM 392 CB MET A 25 -1.954 12.971 1.645 1.00 0.00 C ATOM 393 CG MET A 25 -3.035 14.033 1.524 1.00 0.00 C ATOM 394 SD MET A 25 -2.555 15.392 0.440 1.00 0.00 S ATOM 395 CE MET A 25 -4.106 16.277 0.301 1.00 0.00 C ATOM 0 H MET A 25 -2.626 13.862 4.183 1.00 0.00 H new ATOM 0 HA MET A 25 -0.463 12.220 3.000 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.282 13.050 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.417 11.985 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.948 13.575 1.144 1.00 0.00 H new ATOM 0 HG3 MET A 25 -3.265 14.427 2.514 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.404 16.327 -0.746 1.00 0.00 H new ATOM 0 HE2 MET A 25 -4.875 15.756 0.872 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.985 17.287 0.693 1.00 0.00 H new ATOM 405 N LYS A 26 1.014 14.187 2.791 1.00 0.00 N ATOM 406 CA LYS A 26 1.927 15.324 2.760 1.00 0.00 C ATOM 407 C LYS A 26 2.408 15.597 1.338 1.00 0.00 C ATOM 408 O LYS A 26 2.604 14.672 0.550 1.00 0.00 O ATOM 409 CB LYS A 26 3.126 15.067 3.675 1.00 0.00 C ATOM 410 CG LYS A 26 2.747 14.477 5.023 1.00 0.00 C ATOM 411 CD LYS A 26 3.792 14.788 6.081 1.00 0.00 C ATOM 412 CE LYS A 26 3.630 16.198 6.627 1.00 0.00 C ATOM 413 NZ LYS A 26 2.652 16.250 7.749 1.00 0.00 N ATOM 0 H LYS A 26 1.470 13.278 2.708 1.00 0.00 H new ATOM 0 HA LYS A 26 1.387 16.201 3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.817 14.390 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.658 16.005 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.781 14.874 5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.633 13.397 4.929 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.711 14.069 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.788 14.674 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.596 16.568 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.301 16.861 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.025 16.856 8.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.751 16.639 7.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.496 15.290 8.119 1.00 0.00 H new ATOM 427 N LYS A 27 2.600 16.872 1.018 1.00 0.00 N ATOM 428 CA LYS A 27 3.061 17.267 -0.308 1.00 0.00 C ATOM 429 C LYS A 27 4.314 16.491 -0.701 1.00 0.00 C ATOM 430 O LYS A 27 5.358 16.612 -0.061 1.00 0.00 O ATOM 431 CB LYS A 27 3.348 18.770 -0.343 1.00 0.00 C ATOM 432 CG LYS A 27 4.123 19.270 0.864 1.00 0.00 C ATOM 433 CD LYS A 27 3.220 20.006 1.840 1.00 0.00 C ATOM 434 CE LYS A 27 2.975 21.441 1.400 1.00 0.00 C ATOM 435 NZ LYS A 27 4.233 22.237 1.379 1.00 0.00 N ATOM 0 H LYS A 27 2.443 17.650 1.659 1.00 0.00 H new ATOM 0 HA LYS A 27 2.272 17.037 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.910 19.003 -1.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.403 19.310 -0.407 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.596 18.427 1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.922 19.934 0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.268 19.482 1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.673 20.001 2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.526 21.445 0.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.259 21.911 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.008 23.245 1.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.852 21.928 2.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.719 22.095 0.471 1.00 0.00 H new ATOM 449 N GLY A 28 4.203 15.694 -1.760 1.00 0.00 N ATOM 450 CA GLY A 28 5.334 14.911 -2.221 1.00 0.00 C ATOM 451 C GLY A 28 5.094 13.419 -2.101 1.00 0.00 C ATOM 452 O GLY A 28 5.789 12.619 -2.727 1.00 0.00 O ATOM 0 H GLY A 28 3.350 15.577 -2.306 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.544 15.160 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.218 15.181 -1.644 1.00 0.00 H new ATOM 456 N ASP A 29 4.109 13.043 -1.292 1.00 0.00 N ATOM 457 CA ASP A 29 3.780 11.637 -1.091 1.00 0.00 C ATOM 458 C ASP A 29 2.824 11.143 -2.172 1.00 0.00 C ATOM 459 O ASP A 29 2.141 11.936 -2.821 1.00 0.00 O ATOM 460 CB ASP A 29 3.158 11.430 0.291 1.00 0.00 C ATOM 461 CG ASP A 29 3.587 10.122 0.928 1.00 0.00 C ATOM 462 OD1 ASP A 29 4.210 9.298 0.228 1.00 0.00 O ATOM 463 OD2 ASP A 29 3.298 9.924 2.127 1.00 0.00 O ATOM 0 H ASP A 29 3.525 13.692 -0.765 1.00 0.00 H new ATOM 0 HA ASP A 29 4.702 11.060 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.441 12.258 0.941 1.00 0.00 H new ATOM 0 HB3 ASP A 29 2.072 11.450 0.204 1.00 0.00 H new ATOM 468 N ILE A 30 2.780 9.828 -2.360 1.00 0.00 N ATOM 469 CA ILE A 30 1.908 9.229 -3.362 1.00 0.00 C ATOM 470 C ILE A 30 1.002 8.172 -2.741 1.00 0.00 C ATOM 471 O ILE A 30 1.435 7.383 -1.899 1.00 0.00 O ATOM 472 CB ILE A 30 2.719 8.587 -4.503 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.783 9.561 -5.013 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.796 8.163 -5.636 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.674 8.976 -6.086 1.00 0.00 C ATOM 0 H ILE A 30 3.338 9.158 -1.831 1.00 0.00 H new ATOM 0 HA ILE A 30 1.297 10.034 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 30 3.220 7.700 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.291 10.451 -5.406 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.401 9.883 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.384 7.711 -6.435 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.072 7.438 -5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.270 9.036 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.404 9.722 -6.400 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.194 8.103 -5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.067 8.680 -6.942 1.00 0.00 H new ATOM 487 N LEU A 31 -0.258 8.159 -3.161 1.00 0.00 N ATOM 488 CA LEU A 31 -1.227 7.197 -2.648 1.00 0.00 C ATOM 489 C LEU A 31 -1.857 6.399 -3.785 1.00 0.00 C ATOM 490 O LEU A 31 -1.602 6.663 -4.960 1.00 0.00 O ATOM 491 CB LEU A 31 -2.315 7.916 -1.849 1.00 0.00 C ATOM 492 CG LEU A 31 -1.840 9.037 -0.925 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.984 9.532 -0.053 1.00 0.00 C ATOM 494 CD2 LEU A 31 -0.678 8.563 -0.064 1.00 0.00 C ATOM 0 H LEU A 31 -0.633 8.804 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.701 6.504 -1.991 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.037 8.333 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.844 7.177 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.495 9.867 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.626 10.330 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.786 9.912 -0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.361 8.709 0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.353 9.374 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.997 7.716 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.149 8.259 -0.705 1.00 0.00 H new ATOM 506 N THR A 32 -2.685 5.422 -3.427 1.00 0.00 N ATOM 507 CA THR A 32 -3.353 4.586 -4.416 1.00 0.00 C ATOM 508 C THR A 32 -4.832 4.939 -4.526 1.00 0.00 C ATOM 509 O THR A 32 -5.632 4.579 -3.661 1.00 0.00 O ATOM 510 CB THR A 32 -3.218 3.091 -4.072 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.835 2.739 -3.951 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.875 2.228 -5.140 1.00 0.00 C ATOM 0 H THR A 32 -2.909 5.191 -2.459 1.00 0.00 H new ATOM 0 HA THR A 32 -2.865 4.777 -5.372 1.00 0.00 H new ATOM 0 HB THR A 32 -3.722 2.912 -3.122 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.758 1.787 -3.730 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.767 1.176 -4.875 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.934 2.478 -5.209 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.396 2.411 -6.102 1.00 0.00 H new ATOM 520 N LEU A 33 -5.190 5.644 -5.593 1.00 0.00 N ATOM 521 CA LEU A 33 -6.574 6.046 -5.816 1.00 0.00 C ATOM 522 C LEU A 33 -7.512 4.847 -5.716 1.00 0.00 C ATOM 523 O LEU A 33 -7.560 4.007 -6.616 1.00 0.00 O ATOM 524 CB LEU A 33 -6.719 6.709 -7.187 1.00 0.00 C ATOM 525 CG LEU A 33 -7.753 7.832 -7.283 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.130 7.326 -6.883 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.342 9.011 -6.413 1.00 0.00 C ATOM 0 H LEU A 33 -4.541 5.949 -6.318 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.847 6.763 -5.042 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.748 7.110 -7.479 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.978 5.940 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.800 8.169 -8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.852 8.139 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.427 6.515 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.099 6.961 -5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.089 9.801 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.266 8.688 -5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.376 9.390 -6.747 1.00 0.00 H new ATOM 539 N LEU A 34 -8.257 4.774 -4.619 1.00 0.00 N ATOM 540 CA LEU A 34 -9.196 3.679 -4.403 1.00 0.00 C ATOM 541 C LEU A 34 -10.549 3.989 -5.034 1.00 0.00 C ATOM 542 O LEU A 34 -11.150 3.137 -5.687 1.00 0.00 O ATOM 543 CB LEU A 34 -9.367 3.416 -2.905 1.00 0.00 C ATOM 544 CG LEU A 34 -9.366 1.949 -2.477 1.00 0.00 C ATOM 545 CD1 LEU A 34 -10.412 1.165 -3.254 1.00 0.00 C ATOM 546 CD2 LEU A 34 -7.986 1.338 -2.671 1.00 0.00 C ATOM 0 H LEU A 34 -8.229 5.460 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.790 2.786 -4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.566 3.930 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.305 3.867 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.618 1.900 -1.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.396 0.123 -2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -11.399 1.588 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.192 1.222 -4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.004 0.293 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.705 1.400 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.259 1.883 -2.069 1.00 0.00 H new ATOM 558 N ASN A 35 -11.021 5.216 -4.838 1.00 0.00 N ATOM 559 CA ASN A 35 -12.303 5.639 -5.390 1.00 0.00 C ATOM 560 C ASN A 35 -12.247 7.096 -5.840 1.00 0.00 C ATOM 561 O ASN A 35 -11.987 7.994 -5.039 1.00 0.00 O ATOM 562 CB ASN A 35 -13.413 5.457 -4.353 1.00 0.00 C ATOM 563 CG ASN A 35 -14.646 4.793 -4.937 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.235 3.903 -4.323 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.041 5.224 -6.130 1.00 0.00 N ATOM 0 H ASN A 35 -10.535 5.935 -4.301 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.520 5.017 -6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.038 4.856 -3.525 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.687 6.429 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.863 4.815 -6.574 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.522 5.964 -6.602 1.00 0.00 H new ATOM 572 N SER A 36 -12.493 7.322 -7.126 1.00 0.00 N ATOM 573 CA SER A 36 -12.467 8.669 -7.685 1.00 0.00 C ATOM 574 C SER A 36 -13.838 9.057 -8.229 1.00 0.00 C ATOM 575 O SER A 36 -13.951 9.907 -9.113 1.00 0.00 O ATOM 576 CB SER A 36 -11.419 8.764 -8.795 1.00 0.00 C ATOM 577 OG SER A 36 -11.197 7.499 -9.396 1.00 0.00 O ATOM 0 H SER A 36 -12.713 6.590 -7.801 1.00 0.00 H new ATOM 0 HA SER A 36 -12.203 9.362 -6.886 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.749 9.477 -9.551 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.484 9.145 -8.385 1.00 0.00 H new ATOM 0 HG SER A 36 -10.524 7.586 -10.103 1.00 0.00 H new ATOM 583 N THR A 37 -14.880 8.429 -7.694 1.00 0.00 N ATOM 584 CA THR A 37 -16.244 8.706 -8.126 1.00 0.00 C ATOM 585 C THR A 37 -16.591 10.179 -7.939 1.00 0.00 C ATOM 586 O THR A 37 -17.336 10.756 -8.730 1.00 0.00 O ATOM 587 CB THR A 37 -17.264 7.849 -7.352 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.584 8.084 -7.855 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.219 8.164 -5.865 1.00 0.00 C ATOM 0 H THR A 37 -14.805 7.725 -6.960 1.00 0.00 H new ATOM 0 HA THR A 37 -16.297 8.453 -9.185 1.00 0.00 H new ATOM 0 HB THR A 37 -17.004 6.800 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.226 7.534 -7.359 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.948 7.547 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.221 7.955 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.456 9.216 -5.709 1.00 0.00 H new ATOM 597 N ASN A 38 -16.044 10.782 -6.888 1.00 0.00 N ATOM 598 CA ASN A 38 -16.296 12.189 -6.598 1.00 0.00 C ATOM 599 C ASN A 38 -15.184 13.069 -7.162 1.00 0.00 C ATOM 600 O ASN A 38 -14.100 12.585 -7.488 1.00 0.00 O ATOM 601 CB ASN A 38 -16.418 12.406 -5.089 1.00 0.00 C ATOM 602 CG ASN A 38 -17.857 12.574 -4.643 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.558 11.595 -4.386 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.306 13.821 -4.548 1.00 0.00 N ATOM 0 H ASN A 38 -15.424 10.319 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.235 12.470 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.975 11.558 -4.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.847 13.290 -4.805 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.266 13.996 -4.252 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.690 14.603 -4.771 1.00 0.00 H new ATOM 611 N LYS A 39 -15.461 14.364 -7.274 1.00 0.00 N ATOM 612 CA LYS A 39 -14.485 15.312 -7.796 1.00 0.00 C ATOM 613 C LYS A 39 -13.840 16.108 -6.665 1.00 0.00 C ATOM 614 O LYS A 39 -12.673 16.491 -6.750 1.00 0.00 O ATOM 615 CB LYS A 39 -15.152 16.267 -8.789 1.00 0.00 C ATOM 616 CG LYS A 39 -16.376 16.970 -8.229 1.00 0.00 C ATOM 617 CD LYS A 39 -16.987 17.920 -9.245 1.00 0.00 C ATOM 618 CE LYS A 39 -18.491 18.046 -9.055 1.00 0.00 C ATOM 619 NZ LYS A 39 -18.835 19.028 -7.989 1.00 0.00 N ATOM 0 H LYS A 39 -16.354 14.781 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.707 14.748 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.425 17.016 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.440 15.709 -9.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.118 16.229 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.100 17.524 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.524 18.902 -9.151 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.775 17.563 -10.253 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.951 18.353 -9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.908 17.072 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.859 18.999 -7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.322 18.788 -7.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.565 19.984 -8.297 1.00 0.00 H new ATOM 633 N ASP A 40 -14.606 16.351 -5.608 1.00 0.00 N ATOM 634 CA ASP A 40 -14.109 17.098 -4.458 1.00 0.00 C ATOM 635 C ASP A 40 -13.381 16.176 -3.484 1.00 0.00 C ATOM 636 O ASP A 40 -12.231 16.424 -3.122 1.00 0.00 O ATOM 637 CB ASP A 40 -15.262 17.806 -3.745 1.00 0.00 C ATOM 638 CG ASP A 40 -16.040 18.720 -4.671 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.575 19.853 -4.914 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.115 18.303 -5.151 1.00 0.00 O ATOM 0 H ASP A 40 -15.574 16.042 -5.523 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.403 17.845 -4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.937 17.061 -3.323 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.868 18.388 -2.912 1.00 0.00 H new ATOM 645 N TRP A 41 -14.059 15.115 -3.064 1.00 0.00 N ATOM 646 CA TRP A 41 -13.478 14.157 -2.131 1.00 0.00 C ATOM 647 C TRP A 41 -12.966 12.923 -2.866 1.00 0.00 C ATOM 648 O TRP A 41 -13.750 12.139 -3.402 1.00 0.00 O ATOM 649 CB TRP A 41 -14.510 13.748 -1.079 1.00 0.00 C ATOM 650 CG TRP A 41 -14.805 14.829 -0.084 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.936 15.592 -0.014 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.955 15.270 0.981 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.840 16.480 1.031 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.634 16.302 1.657 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.686 14.891 1.430 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.086 16.958 2.756 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.144 15.544 2.520 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.843 16.568 3.174 1.00 0.00 C ATOM 0 H TRP A 41 -15.012 14.896 -3.355 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.635 14.637 -1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.435 13.463 -1.580 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.149 12.866 -0.550 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.781 15.510 -0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.551 17.161 1.297 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.140 14.102 0.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.623 17.747 3.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.164 15.260 2.875 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.392 17.058 4.024 1.00 0.00 H new ATOM 669 N TRP A 42 -11.649 12.756 -2.886 1.00 0.00 N ATOM 670 CA TRP A 42 -11.034 11.615 -3.556 1.00 0.00 C ATOM 671 C TRP A 42 -10.590 10.564 -2.545 1.00 0.00 C ATOM 672 O TRP A 42 -10.011 10.891 -1.508 1.00 0.00 O ATOM 673 CB TRP A 42 -9.838 12.073 -4.392 1.00 0.00 C ATOM 674 CG TRP A 42 -10.195 12.400 -5.811 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.446 12.629 -6.309 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.291 12.530 -6.914 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.374 12.895 -7.655 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.064 12.841 -8.050 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.905 12.418 -7.052 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.494 13.038 -9.306 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.342 12.613 -8.298 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.135 12.921 -9.412 1.00 0.00 C ATOM 0 H TRP A 42 -10.986 13.395 -2.447 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.779 11.167 -4.214 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.393 12.952 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.079 11.290 -4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.357 12.605 -5.730 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.168 13.100 -8.262 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.285 12.183 -6.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.103 13.275 -10.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.272 12.527 -8.416 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.664 13.069 -10.373 1.00 0.00 H new ATOM 693 N LYS A 43 -10.864 9.301 -2.851 1.00 0.00 N ATOM 694 CA LYS A 43 -10.492 8.201 -1.970 1.00 0.00 C ATOM 695 C LYS A 43 -9.175 7.571 -2.412 1.00 0.00 C ATOM 696 O LYS A 43 -9.028 7.160 -3.563 1.00 0.00 O ATOM 697 CB LYS A 43 -11.595 7.141 -1.949 1.00 0.00 C ATOM 698 CG LYS A 43 -12.988 7.717 -1.762 1.00 0.00 C ATOM 699 CD LYS A 43 -13.969 6.659 -1.285 1.00 0.00 C ATOM 700 CE LYS A 43 -15.364 6.900 -1.842 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.812 8.304 -1.627 1.00 0.00 N ATOM 0 H LYS A 43 -11.343 9.013 -3.704 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.363 8.602 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.565 6.579 -2.883 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.392 6.434 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.952 8.533 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.337 8.140 -2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.619 5.673 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.006 6.660 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.373 6.675 -2.909 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.068 6.217 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.844 8.323 -1.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.348 8.691 -0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.558 8.880 -2.455 1.00 0.00 H new ATOM 715 N VAL A 44 -8.220 7.497 -1.490 1.00 0.00 N ATOM 716 CA VAL A 44 -6.917 6.914 -1.785 1.00 0.00 C ATOM 717 C VAL A 44 -6.471 5.973 -0.671 1.00 0.00 C ATOM 718 O VAL A 44 -6.923 6.086 0.468 1.00 0.00 O ATOM 719 CB VAL A 44 -5.846 8.004 -1.980 1.00 0.00 C ATOM 720 CG1 VAL A 44 -5.870 8.527 -3.408 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.051 9.136 -0.985 1.00 0.00 C ATOM 0 H VAL A 44 -8.325 7.834 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.025 6.350 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.866 7.563 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.107 9.296 -3.527 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.670 7.708 -4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.850 8.952 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.286 9.897 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.036 9.577 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.978 8.746 0.030 1.00 0.00 H new ATOM 731 N GLU A 45 -5.582 5.044 -1.009 1.00 0.00 N ATOM 732 CA GLU A 45 -5.076 4.083 -0.037 1.00 0.00 C ATOM 733 C GLU A 45 -3.654 4.438 0.390 1.00 0.00 C ATOM 734 O GLU A 45 -2.817 4.798 -0.437 1.00 0.00 O ATOM 735 CB GLU A 45 -5.106 2.669 -0.621 1.00 0.00 C ATOM 736 CG GLU A 45 -5.445 1.596 0.399 1.00 0.00 C ATOM 737 CD GLU A 45 -5.322 0.194 -0.165 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.458 -0.018 -1.042 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.090 -0.691 0.268 1.00 0.00 O ATOM 0 H GLU A 45 -5.198 4.937 -1.948 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.721 4.120 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.837 2.634 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.134 2.446 -1.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.784 1.696 1.260 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.462 1.751 0.759 1.00 0.00 H new ATOM 746 N VAL A 46 -3.390 4.335 1.689 1.00 0.00 N ATOM 747 CA VAL A 46 -2.071 4.645 2.227 1.00 0.00 C ATOM 748 C VAL A 46 -1.496 3.457 2.990 1.00 0.00 C ATOM 749 O VAL A 46 -2.129 2.406 3.094 1.00 0.00 O ATOM 750 CB VAL A 46 -2.119 5.867 3.163 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.712 7.068 2.443 1.00 0.00 C ATOM 752 CG2 VAL A 46 -2.913 5.544 4.420 1.00 0.00 C ATOM 0 H VAL A 46 -4.072 4.039 2.388 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.428 4.873 1.377 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.100 6.117 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.738 7.922 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.099 7.311 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.725 6.833 2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.937 6.419 5.070 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.931 5.268 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.441 4.714 4.945 1.00 0.00 H new ATOM 762 N LYS A 47 -0.292 3.630 3.524 1.00 0.00 N ATOM 763 CA LYS A 47 0.370 2.573 4.280 1.00 0.00 C ATOM 764 C LYS A 47 0.651 3.022 5.711 1.00 0.00 C ATOM 765 O LYS A 47 1.387 3.984 5.936 1.00 0.00 O ATOM 766 CB LYS A 47 1.678 2.170 3.595 1.00 0.00 C ATOM 767 CG LYS A 47 2.212 0.822 4.050 1.00 0.00 C ATOM 768 CD LYS A 47 1.369 -0.322 3.512 1.00 0.00 C ATOM 769 CE LYS A 47 1.898 -0.824 2.177 1.00 0.00 C ATOM 770 NZ LYS A 47 1.561 0.103 1.062 1.00 0.00 N ATOM 0 H LYS A 47 0.246 4.493 3.447 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.297 1.711 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.521 2.144 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.431 2.934 3.789 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.242 0.705 3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.226 0.784 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.361 -1.140 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.337 0.009 3.395 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.980 -0.942 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.481 -1.809 1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.542 -0.424 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.627 0.528 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.278 0.854 1.006 1.00 0.00 H new ATOM 784 N ILE A 48 0.063 2.319 6.673 1.00 0.00 N ATOM 785 CA ILE A 48 0.253 2.644 8.081 1.00 0.00 C ATOM 786 C ILE A 48 1.154 1.622 8.764 1.00 0.00 C ATOM 787 O ILE A 48 1.107 0.431 8.456 1.00 0.00 O ATOM 788 CB ILE A 48 -1.091 2.710 8.830 1.00 0.00 C ATOM 789 CG1 ILE A 48 -2.009 3.750 8.186 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.863 3.033 10.299 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.461 3.603 8.582 1.00 0.00 C ATOM 0 H ILE A 48 -0.549 1.521 6.503 1.00 0.00 H new ATOM 0 HA ILE A 48 0.728 3.625 8.117 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.575 1.736 8.763 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.665 4.747 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.927 3.673 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.822 3.076 10.815 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.243 2.258 10.750 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.360 3.996 10.386 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.053 4.374 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.822 2.620 8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.556 3.710 9.663 1.00 0.00 H new ATOM 803 N THR A 49 1.975 2.094 9.698 1.00 0.00 N ATOM 804 CA THR A 49 2.887 1.222 10.426 1.00 0.00 C ATOM 805 C THR A 49 2.535 1.173 11.909 1.00 0.00 C ATOM 806 O THR A 49 2.764 2.134 12.644 1.00 0.00 O ATOM 807 CB THR A 49 4.349 1.683 10.273 1.00 0.00 C ATOM 808 OG1 THR A 49 4.715 1.699 8.888 1.00 0.00 O ATOM 809 CG2 THR A 49 5.289 0.766 11.041 1.00 0.00 C ATOM 0 H THR A 49 2.026 3.076 9.967 1.00 0.00 H new ATOM 0 HA THR A 49 2.781 0.226 9.996 1.00 0.00 H new ATOM 0 HB THR A 49 4.434 2.689 10.683 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.645 1.995 8.799 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.315 1.112 10.918 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.026 0.779 12.099 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.200 -0.250 10.657 1.00 0.00 H new ATOM 817 N VAL A 50 1.975 0.048 12.343 1.00 0.00 N ATOM 818 CA VAL A 50 1.593 -0.126 13.739 1.00 0.00 C ATOM 819 C VAL A 50 2.249 -1.365 14.338 1.00 0.00 C ATOM 820 O VAL A 50 2.080 -2.475 13.834 1.00 0.00 O ATOM 821 CB VAL A 50 0.065 -0.244 13.891 1.00 0.00 C ATOM 822 CG1 VAL A 50 -0.313 -0.434 15.352 1.00 0.00 C ATOM 823 CG2 VAL A 50 -0.624 0.981 13.309 1.00 0.00 C ATOM 0 H VAL A 50 1.776 -0.756 11.748 1.00 0.00 H new ATOM 0 HA VAL A 50 1.938 0.759 14.274 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.271 -1.120 13.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.396 -0.515 15.440 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.151 -1.344 15.733 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.035 0.421 15.932 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.703 0.881 13.425 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.284 1.874 13.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.379 1.068 12.250 1.00 0.00 H new ATOM 833 N ASN A 51 2.999 -1.168 15.417 1.00 0.00 N ATOM 834 CA ASN A 51 3.682 -2.269 16.086 1.00 0.00 C ATOM 835 C ASN A 51 4.602 -3.006 15.118 1.00 0.00 C ATOM 836 O ASN A 51 4.830 -4.208 15.254 1.00 0.00 O ATOM 837 CB ASN A 51 2.662 -3.244 16.679 1.00 0.00 C ATOM 838 CG ASN A 51 3.208 -3.990 17.881 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.369 -5.210 17.847 1.00 0.00 O ATOM 840 ND2 ASN A 51 3.494 -3.259 18.952 1.00 0.00 N ATOM 0 H ASN A 51 3.149 -0.255 15.847 1.00 0.00 H new ATOM 0 HA ASN A 51 4.288 -1.853 16.891 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.766 -2.696 16.971 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.362 -3.961 15.915 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.863 -3.706 19.791 1.00 0.00 H new ATOM 0 HD22 ASN A 51 3.345 -2.250 18.936 1.00 0.00 H new ATOM 847 N GLY A 52 5.130 -2.277 14.139 1.00 0.00 N ATOM 848 CA GLY A 52 6.020 -2.877 13.163 1.00 0.00 C ATOM 849 C GLY A 52 5.270 -3.628 12.080 1.00 0.00 C ATOM 850 O GLY A 52 5.880 -4.227 11.193 1.00 0.00 O ATOM 0 H GLY A 52 4.957 -1.281 14.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.630 -2.098 12.705 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.702 -3.560 13.669 1.00 0.00 H new ATOM 854 N LYS A 53 3.944 -3.598 12.151 1.00 0.00 N ATOM 855 CA LYS A 53 3.109 -4.281 11.170 1.00 0.00 C ATOM 856 C LYS A 53 2.541 -3.292 10.157 1.00 0.00 C ATOM 857 O LYS A 53 1.944 -2.281 10.528 1.00 0.00 O ATOM 858 CB LYS A 53 1.968 -5.024 11.869 1.00 0.00 C ATOM 859 CG LYS A 53 2.340 -6.427 12.317 1.00 0.00 C ATOM 860 CD LYS A 53 3.288 -6.400 13.504 1.00 0.00 C ATOM 861 CE LYS A 53 3.666 -7.805 13.948 1.00 0.00 C ATOM 862 NZ LYS A 53 2.626 -8.408 14.826 1.00 0.00 N ATOM 0 H LYS A 53 3.424 -3.108 12.878 1.00 0.00 H new ATOM 0 HA LYS A 53 3.731 -5.001 10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.648 -4.447 12.737 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.115 -5.082 11.193 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.437 -6.976 12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.806 -6.962 11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.189 -5.846 13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.820 -5.869 14.333 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.811 -8.436 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.617 -7.774 14.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.921 -9.365 15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.505 -7.820 15.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.724 -8.461 14.310 1.00 0.00 H new ATOM 876 N THR A 54 2.728 -3.591 8.875 1.00 0.00 N ATOM 877 CA THR A 54 2.234 -2.729 7.809 1.00 0.00 C ATOM 878 C THR A 54 0.756 -2.985 7.536 1.00 0.00 C ATOM 879 O THR A 54 0.343 -4.124 7.316 1.00 0.00 O ATOM 880 CB THR A 54 3.028 -2.936 6.505 1.00 0.00 C ATOM 881 OG1 THR A 54 3.637 -4.232 6.503 1.00 0.00 O ATOM 882 CG2 THR A 54 4.098 -1.867 6.348 1.00 0.00 C ATOM 0 H THR A 54 3.218 -4.424 8.550 1.00 0.00 H new ATOM 0 HA THR A 54 2.366 -1.701 8.147 1.00 0.00 H new ATOM 0 HB THR A 54 2.335 -2.860 5.667 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.138 -4.357 5.670 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.646 -2.034 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.629 -0.884 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.788 -1.916 7.190 1.00 0.00 H new ATOM 890 N TYR A 55 -0.036 -1.919 7.552 1.00 0.00 N ATOM 891 CA TYR A 55 -1.470 -2.028 7.307 1.00 0.00 C ATOM 892 C TYR A 55 -1.885 -1.180 6.109 1.00 0.00 C ATOM 893 O TYR A 55 -1.262 -0.161 5.811 1.00 0.00 O ATOM 894 CB TYR A 55 -2.254 -1.596 8.548 1.00 0.00 C ATOM 895 CG TYR A 55 -2.121 -2.552 9.712 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.934 -3.674 9.811 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.182 -2.333 10.712 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.817 -4.549 10.873 1.00 0.00 C ATOM 899 CE2 TYR A 55 -1.056 -3.204 11.777 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.876 -4.310 11.853 1.00 0.00 C ATOM 901 OH TYR A 55 -1.755 -5.180 12.913 1.00 0.00 O ATOM 0 H TYR A 55 0.290 -0.969 7.732 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.697 -3.071 7.086 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.911 -0.609 8.858 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.308 -1.500 8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.670 -3.865 9.044 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.539 -1.467 10.656 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.459 -5.415 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.320 -3.020 12.545 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.046 -4.868 13.513 1.00 0.00 H new ATOM 911 N GLU A 56 -2.941 -1.610 5.426 1.00 0.00 N ATOM 912 CA GLU A 56 -3.440 -0.890 4.259 1.00 0.00 C ATOM 913 C GLU A 56 -4.900 -0.491 4.450 1.00 0.00 C ATOM 914 O GLU A 56 -5.695 -1.250 5.003 1.00 0.00 O ATOM 915 CB GLU A 56 -3.294 -1.750 3.002 1.00 0.00 C ATOM 916 CG GLU A 56 -1.853 -1.945 2.561 1.00 0.00 C ATOM 917 CD GLU A 56 -1.730 -2.218 1.075 1.00 0.00 C ATOM 918 OE1 GLU A 56 -1.830 -3.399 0.679 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.533 -1.253 0.308 1.00 0.00 O ATOM 0 H GLU A 56 -3.467 -2.452 5.660 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.847 0.017 4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.744 -2.726 3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.854 -1.288 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.276 -1.055 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.416 -2.775 3.116 1.00 0.00 H new ATOM 926 N ARG A 57 -5.245 0.706 3.987 1.00 0.00 N ATOM 927 CA ARG A 57 -6.609 1.208 4.107 1.00 0.00 C ATOM 928 C ARG A 57 -6.823 2.420 3.206 1.00 0.00 C ATOM 929 O ARG A 57 -5.882 3.152 2.900 1.00 0.00 O ATOM 930 CB ARG A 57 -6.912 1.579 5.560 1.00 0.00 C ATOM 931 CG ARG A 57 -5.994 2.655 6.118 1.00 0.00 C ATOM 932 CD ARG A 57 -6.667 3.437 7.235 1.00 0.00 C ATOM 933 NE ARG A 57 -6.761 2.659 8.468 1.00 0.00 N ATOM 934 CZ ARG A 57 -7.241 3.144 9.608 1.00 0.00 C ATOM 935 NH1 ARG A 57 -7.668 4.397 9.671 1.00 0.00 N ATOM 936 NH2 ARG A 57 -7.294 2.374 10.687 1.00 0.00 N ATOM 0 H ARG A 57 -4.599 1.346 3.525 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.290 0.418 3.791 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.944 1.921 5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.829 0.686 6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.080 2.196 6.494 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.703 3.337 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.106 4.352 7.426 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.666 3.736 6.918 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.441 1.691 8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.629 4.991 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.036 4.767 10.547 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.966 1.409 10.642 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.663 2.747 11.562 1.00 0.00 H new ATOM 950 N GLN A 58 -8.067 2.624 2.784 1.00 0.00 N ATOM 951 CA GLN A 58 -8.404 3.747 1.917 1.00 0.00 C ATOM 952 C GLN A 58 -9.192 4.807 2.680 1.00 0.00 C ATOM 953 O GLN A 58 -10.119 4.490 3.424 1.00 0.00 O ATOM 954 CB GLN A 58 -9.212 3.263 0.711 1.00 0.00 C ATOM 955 CG GLN A 58 -10.427 2.431 1.088 1.00 0.00 C ATOM 956 CD GLN A 58 -11.521 2.488 0.040 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.021 1.456 -0.408 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.900 3.697 -0.356 1.00 0.00 N ATOM 0 H GLN A 58 -8.857 2.027 3.028 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.474 4.195 1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.539 4.127 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.564 2.672 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.122 1.395 1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.823 2.784 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -11.458 4.526 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.633 3.797 -1.058 1.00 0.00 H new ATOM 967 N GLY A 59 -8.817 6.068 2.489 1.00 0.00 N ATOM 968 CA GLY A 59 -9.498 7.155 3.167 1.00 0.00 C ATOM 969 C GLY A 59 -9.871 8.283 2.225 1.00 0.00 C ATOM 970 O GLY A 59 -9.430 8.313 1.076 1.00 0.00 O ATOM 0 H GLY A 59 -8.054 6.356 1.877 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.399 6.772 3.646 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.857 7.544 3.958 1.00 0.00 H new ATOM 974 N PHE A 60 -10.687 9.212 2.710 1.00 0.00 N ATOM 975 CA PHE A 60 -11.122 10.346 1.903 1.00 0.00 C ATOM 976 C PHE A 60 -10.163 11.523 2.057 1.00 0.00 C ATOM 977 O PHE A 60 -9.630 11.766 3.140 1.00 0.00 O ATOM 978 CB PHE A 60 -12.537 10.770 2.300 1.00 0.00 C ATOM 979 CG PHE A 60 -13.477 9.615 2.495 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.548 8.961 3.714 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.289 9.183 1.459 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.412 7.897 3.896 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.154 8.120 1.634 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.217 7.477 2.855 1.00 0.00 C ATOM 0 H PHE A 60 -11.061 9.202 3.659 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.124 10.036 0.858 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.489 11.348 3.223 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.939 11.429 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.921 9.286 4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.245 9.683 0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.457 7.395 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.780 7.792 0.817 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.894 6.648 2.995 1.00 0.00 H new ATOM 994 N VAL A 61 -9.948 12.251 0.966 1.00 0.00 N ATOM 995 CA VAL A 61 -9.055 13.403 0.979 1.00 0.00 C ATOM 996 C VAL A 61 -9.440 14.409 -0.100 1.00 0.00 C ATOM 997 O VAL A 61 -10.068 14.071 -1.103 1.00 0.00 O ATOM 998 CB VAL A 61 -7.589 12.979 0.770 1.00 0.00 C ATOM 999 CG1 VAL A 61 -7.023 12.369 2.043 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.477 12.005 -0.393 1.00 0.00 C ATOM 0 H VAL A 61 -10.380 12.063 0.062 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.155 13.870 1.959 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.003 13.866 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.987 12.075 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.067 13.102 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.609 11.492 2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.435 11.716 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.075 11.118 -0.184 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.841 12.482 -1.303 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.055 15.677 0.109 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.348 16.759 -0.835 1.00 0.00 C ATOM 1012 C PRO A 62 -8.555 16.629 -2.130 1.00 0.00 C ATOM 1013 O PRO A 62 -7.333 16.779 -2.139 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.926 18.018 -0.073 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.899 17.547 0.897 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.303 16.151 1.284 1.00 0.00 C ATOM 0 HA PRO A 62 -10.394 16.760 -1.142 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.518 18.771 -0.747 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.774 18.474 0.438 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.906 17.555 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.860 18.198 1.770 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.436 15.523 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.918 16.145 2.184 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.257 16.349 -3.223 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.619 16.202 -4.525 1.00 0.00 C ATOM 1026 C ALA A 63 -7.920 17.491 -4.943 1.00 0.00 C ATOM 1027 O ALA A 63 -6.916 17.461 -5.655 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.643 15.791 -5.572 1.00 0.00 C ATOM 0 H ALA A 63 -10.269 16.219 -3.232 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.864 15.420 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.152 15.685 -6.539 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.093 14.840 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.419 16.553 -5.641 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.458 18.621 -4.497 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.884 19.921 -4.825 1.00 0.00 C ATOM 1036 C ALA A 64 -6.494 20.076 -4.219 1.00 0.00 C ATOM 1037 O ALA A 64 -5.742 20.978 -4.589 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.799 21.037 -4.344 1.00 0.00 C ATOM 0 H ALA A 64 -9.290 18.663 -3.908 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.788 19.986 -5.909 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.359 22.002 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.771 20.945 -4.828 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.924 20.965 -3.264 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.158 19.192 -3.286 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.859 19.233 -2.626 1.00 0.00 C ATOM 1046 C TYR A 65 -3.908 18.205 -3.231 1.00 0.00 C ATOM 1047 O TYR A 65 -2.718 18.181 -2.916 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.016 18.977 -1.126 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.569 20.161 -0.365 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.810 20.698 -0.683 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.850 20.742 0.673 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.319 21.780 0.009 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.352 21.822 1.372 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.586 22.338 1.036 1.00 0.00 C ATOM 1055 OH TYR A 65 -7.089 23.416 1.729 1.00 0.00 O ATOM 0 H TYR A 65 -6.768 18.438 -2.970 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.436 20.226 -2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.675 18.121 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.046 18.708 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.387 20.262 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.882 20.342 0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.285 22.187 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.781 22.260 2.177 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.450 23.688 2.420 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.442 17.357 -4.105 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.642 16.327 -4.757 1.00 0.00 C ATOM 1067 C VAL A 66 -3.862 16.335 -6.266 1.00 0.00 C ATOM 1068 O VAL A 66 -4.610 17.158 -6.792 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.974 14.927 -4.208 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.633 14.839 -2.728 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.439 14.595 -4.447 1.00 0.00 C ATOM 0 H VAL A 66 -5.425 17.363 -4.378 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.598 16.554 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.368 14.194 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.874 13.843 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.569 15.030 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.211 15.581 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.656 13.602 -4.053 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.066 15.331 -3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.647 14.614 -5.517 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.204 15.411 -6.958 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.327 15.308 -8.408 1.00 0.00 C ATOM 1083 C LYS A 67 -3.246 13.853 -8.859 1.00 0.00 C ATOM 1084 O LYS A 67 -2.703 13.003 -8.154 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.231 16.128 -9.093 1.00 0.00 C ATOM 1086 CG LYS A 67 -2.494 17.623 -9.082 1.00 0.00 C ATOM 1087 CD LYS A 67 -3.487 18.023 -10.161 1.00 0.00 C ATOM 1088 CE LYS A 67 -4.896 18.149 -9.601 1.00 0.00 C ATOM 1089 NZ LYS A 67 -5.748 19.038 -10.439 1.00 0.00 N ATOM 0 H LYS A 67 -2.580 14.722 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.301 15.705 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.279 15.931 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.130 15.793 -10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.878 17.919 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.557 18.159 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.183 18.972 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.477 17.282 -10.960 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.352 17.161 -9.540 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.849 18.542 -8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.700 19.098 -10.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.326 19.988 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.814 18.650 -11.402 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.790 13.574 -10.039 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.777 12.222 -10.586 1.00 0.00 C ATOM 1105 C LYS A 68 -2.454 11.932 -11.287 1.00 0.00 C ATOM 1106 O LYS A 68 -1.980 12.730 -12.098 1.00 0.00 O ATOM 1107 CB LYS A 68 -4.937 12.036 -11.566 1.00 0.00 C ATOM 1108 CG LYS A 68 -5.084 10.611 -12.071 1.00 0.00 C ATOM 1109 CD LYS A 68 -6.158 10.506 -13.141 1.00 0.00 C ATOM 1110 CE LYS A 68 -6.808 9.131 -13.146 1.00 0.00 C ATOM 1111 NZ LYS A 68 -7.319 8.764 -14.495 1.00 0.00 N ATOM 0 H LYS A 68 -4.245 14.266 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.891 11.521 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.865 12.338 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.793 12.701 -12.417 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.132 10.267 -12.475 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.333 9.953 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.918 11.268 -12.971 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.720 10.706 -14.119 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.084 8.386 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.630 9.115 -12.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.755 7.820 -14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.029 9.461 -14.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.531 8.754 -15.174 1.00 0.00 H new