USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 517 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 47 LYS NZ :NH3+ 162:sc= -0.211 (180deg=-0.533) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0.019 USER MOD Set 2.1: A 15 TYR OH : rot 108:sc= 0.301 USER MOD Set 2.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 19 SER OG : rot 180:sc=-8.53e-05 USER MOD Single : A 24 THR OG1 : rot -158:sc= -1.44 USER MOD Single : A 25 MET CE :methyl -124:sc= -5.2! (180deg=-10!) USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.759) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 35 ASN : amide:sc= -0.3 X(o=-0.3,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= -0.252 X(o=-0.25,f=-0.59) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0159) USER MOD Single : A 43 LYS NZ :NH3+ -159:sc= 0.97 (180deg=0.475) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0645 X(o=-0.064,f=-0.027) USER MOD Single : A 53 LYS NZ :NH3+ 166:sc= -0.0102 (180deg=-0.152) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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 13.233 -8.943 -7.303 1.00 0.00 N ATOM 89 CA GLU A 7 14.200 -8.843 -8.389 1.00 0.00 C ATOM 90 C GLU A 7 14.524 -7.384 -8.697 1.00 0.00 C ATOM 91 O GLU A 7 14.324 -6.915 -9.818 1.00 0.00 O ATOM 92 CB GLU A 7 13.662 -9.533 -9.645 1.00 0.00 C ATOM 93 CG GLU A 7 13.772 -11.048 -9.602 1.00 0.00 C ATOM 94 CD GLU A 7 15.179 -11.522 -9.293 1.00 0.00 C ATOM 95 OE1 GLU A 7 16.137 -10.908 -9.806 1.00 0.00 O ATOM 96 OE2 GLU A 7 15.321 -12.507 -8.538 1.00 0.00 O ATOM 0 HA GLU A 7 15.116 -9.342 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 7 12.616 -9.257 -9.781 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.206 -9.162 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.088 -11.437 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 7 13.457 -11.459 -10.561 1.00 0.00 H new ATOM 103 N LEU A 8 15.025 -6.672 -7.694 1.00 0.00 N ATOM 104 CA LEU A 8 15.377 -5.266 -7.855 1.00 0.00 C ATOM 105 C LEU A 8 16.716 -5.118 -8.571 1.00 0.00 C ATOM 106 O LEU A 8 17.645 -5.892 -8.337 1.00 0.00 O ATOM 107 CB LEU A 8 15.436 -4.574 -6.492 1.00 0.00 C ATOM 108 CG LEU A 8 14.098 -4.101 -5.922 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.542 -2.953 -6.749 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.104 -5.252 -5.866 1.00 0.00 C ATOM 0 H LEU A 8 15.197 -7.045 -6.760 1.00 0.00 H new ATOM 0 HA LEU A 8 14.606 -4.792 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.890 -5.260 -5.778 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.099 -3.713 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 8 14.264 -3.743 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.590 -2.630 -6.329 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.246 -2.121 -6.736 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.391 -3.284 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.158 -4.896 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.942 -5.642 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.499 -6.043 -5.229 1.00 0.00 H new ATOM 122 N VAL A 9 16.809 -4.119 -9.442 1.00 0.00 N ATOM 123 CA VAL A 9 18.035 -3.867 -10.190 1.00 0.00 C ATOM 124 C VAL A 9 18.639 -2.518 -9.817 1.00 0.00 C ATOM 125 O VAL A 9 17.922 -1.578 -9.473 1.00 0.00 O ATOM 126 CB VAL A 9 17.784 -3.903 -11.709 1.00 0.00 C ATOM 127 CG1 VAL A 9 17.108 -5.206 -12.108 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.949 -2.706 -12.138 1.00 0.00 C ATOM 0 H VAL A 9 16.049 -3.470 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 9 18.735 -4.660 -9.927 1.00 0.00 H new ATOM 0 HB VAL A 9 18.745 -3.849 -12.221 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.939 -5.213 -13.185 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.747 -6.046 -11.836 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.153 -5.294 -11.590 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.781 -2.747 -13.214 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.990 -2.727 -11.620 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.477 -1.786 -11.888 1.00 0.00 H new ATOM 138 N LEU A 10 19.963 -2.429 -9.888 1.00 0.00 N ATOM 139 CA LEU A 10 20.665 -1.194 -9.558 1.00 0.00 C ATOM 140 C LEU A 10 20.992 -0.400 -10.819 1.00 0.00 C ATOM 141 O LEU A 10 21.450 -0.959 -11.815 1.00 0.00 O ATOM 142 CB LEU A 10 21.951 -1.504 -8.790 1.00 0.00 C ATOM 143 CG LEU A 10 22.825 -0.302 -8.430 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.191 0.502 -7.306 1.00 0.00 C ATOM 145 CD2 LEU A 10 24.223 -0.757 -8.040 1.00 0.00 C ATOM 0 H LEU A 10 20.571 -3.197 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 10 20.010 -0.590 -8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.684 -2.023 -7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.547 -2.196 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 10 22.905 0.340 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.827 1.353 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.211 0.860 -7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 10 22.079 -0.130 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.831 0.112 -7.787 1.00 0.00 H new ATOM 0 HD22 LEU A 10 24.162 -1.421 -7.178 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.679 -1.288 -8.875 1.00 0.00 H new ATOM 157 N ALA A 11 20.755 0.907 -10.768 1.00 0.00 N ATOM 158 CA ALA A 11 21.028 1.778 -11.904 1.00 0.00 C ATOM 159 C ALA A 11 22.504 2.158 -11.963 1.00 0.00 C ATOM 160 O ALA A 11 22.895 3.238 -11.518 1.00 0.00 O ATOM 161 CB ALA A 11 20.162 3.026 -11.832 1.00 0.00 C ATOM 0 H ALA A 11 20.374 1.386 -9.952 1.00 0.00 H new ATOM 0 HA ALA A 11 20.784 1.232 -12.815 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.376 3.667 -12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.110 2.740 -11.848 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.378 3.566 -10.910 1.00 0.00 H new ATOM 167 N LEU A 12 23.319 1.265 -12.513 1.00 0.00 N ATOM 168 CA LEU A 12 24.753 1.506 -12.628 1.00 0.00 C ATOM 169 C LEU A 12 25.026 2.859 -13.278 1.00 0.00 C ATOM 170 O LEU A 12 25.883 3.616 -12.822 1.00 0.00 O ATOM 171 CB LEU A 12 25.413 0.393 -13.444 1.00 0.00 C ATOM 172 CG LEU A 12 25.109 -1.037 -12.997 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.684 -2.039 -13.986 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.658 -1.288 -11.600 1.00 0.00 C ATOM 0 H LEU A 12 23.011 0.367 -12.886 1.00 0.00 H new ATOM 0 HA LEU A 12 25.178 1.513 -11.624 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.105 0.501 -14.484 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.493 0.540 -13.415 1.00 0.00 H new ATOM 0 HG LEU A 12 24.027 -1.166 -12.968 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.458 -3.051 -13.651 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.242 -1.875 -14.969 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.765 -1.910 -14.048 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.432 -2.311 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.738 -1.140 -11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.198 -0.593 -10.898 1.00 0.00 H new ATOM 186 N TYR A 13 24.291 3.157 -14.344 1.00 0.00 N ATOM 187 CA TYR A 13 24.455 4.419 -15.056 1.00 0.00 C ATOM 188 C TYR A 13 23.114 5.127 -15.225 1.00 0.00 C ATOM 189 O TYR A 13 22.077 4.485 -15.395 1.00 0.00 O ATOM 190 CB TYR A 13 25.092 4.176 -16.426 1.00 0.00 C ATOM 191 CG TYR A 13 26.487 3.598 -16.351 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.587 4.415 -16.117 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.706 2.236 -16.515 1.00 0.00 C ATOM 194 CE1 TYR A 13 28.863 3.892 -16.048 1.00 0.00 C ATOM 195 CE2 TYR A 13 27.979 1.704 -16.446 1.00 0.00 C ATOM 196 CZ TYR A 13 29.054 2.536 -16.213 1.00 0.00 C ATOM 197 OH TYR A 13 30.324 2.009 -16.146 1.00 0.00 O ATOM 0 H TYR A 13 23.576 2.542 -14.734 1.00 0.00 H new ATOM 0 HA TYR A 13 25.111 5.058 -14.465 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.457 3.499 -16.997 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.127 5.118 -16.973 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.441 5.477 -15.987 1.00 0.00 H new ATOM 0 HD2 TYR A 13 25.867 1.582 -16.700 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.707 4.541 -15.866 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.132 0.642 -16.574 1.00 0.00 H new ATOM 0 HH TYR A 13 30.283 1.039 -16.282 1.00 0.00 H new ATOM 207 N ASP A 14 23.144 6.454 -15.176 1.00 0.00 N ATOM 208 CA ASP A 14 21.932 7.252 -15.325 1.00 0.00 C ATOM 209 C ASP A 14 21.343 7.090 -16.723 1.00 0.00 C ATOM 210 O ASP A 14 22.029 6.659 -17.650 1.00 0.00 O ATOM 211 CB ASP A 14 22.230 8.727 -15.050 1.00 0.00 C ATOM 212 CG ASP A 14 23.323 9.273 -15.947 1.00 0.00 C ATOM 213 OD1 ASP A 14 23.104 9.344 -17.174 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.400 9.628 -15.422 1.00 0.00 O ATOM 0 H ASP A 14 23.994 7.000 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 14 21.200 6.896 -14.599 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.321 9.311 -15.193 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.525 8.847 -14.008 1.00 0.00 H new ATOM 219 N TYR A 15 20.069 7.438 -16.866 1.00 0.00 N ATOM 220 CA TYR A 15 19.387 7.328 -18.150 1.00 0.00 C ATOM 221 C TYR A 15 18.453 8.514 -18.374 1.00 0.00 C ATOM 222 O TYR A 15 18.244 9.330 -17.477 1.00 0.00 O ATOM 223 CB TYR A 15 18.596 6.021 -18.221 1.00 0.00 C ATOM 224 CG TYR A 15 18.341 5.544 -19.633 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.388 5.368 -20.528 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.051 5.267 -20.071 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.160 4.933 -21.819 1.00 0.00 C ATOM 228 CE2 TYR A 15 16.813 4.830 -21.360 1.00 0.00 C ATOM 229 CZ TYR A 15 17.871 4.665 -22.230 1.00 0.00 C ATOM 230 OH TYR A 15 17.639 4.230 -23.515 1.00 0.00 O ATOM 0 H TYR A 15 19.488 7.798 -16.109 1.00 0.00 H new ATOM 0 HA TYR A 15 20.143 7.330 -18.935 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.139 5.248 -17.678 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.641 6.156 -17.714 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.399 5.575 -20.209 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.221 5.396 -19.392 1.00 0.00 H new ATOM 0 HE1 TYR A 15 19.986 4.804 -22.502 1.00 0.00 H new ATOM 0 HE2 TYR A 15 15.805 4.619 -21.685 1.00 0.00 H new ATOM 0 HH TYR A 15 17.399 3.280 -23.500 1.00 0.00 H new ATOM 240 N GLN A 16 17.896 8.601 -19.577 1.00 0.00 N ATOM 241 CA GLN A 16 16.984 9.686 -19.920 1.00 0.00 C ATOM 242 C GLN A 16 15.930 9.217 -20.917 1.00 0.00 C ATOM 243 O GLN A 16 16.192 9.129 -22.116 1.00 0.00 O ATOM 244 CB GLN A 16 17.761 10.869 -20.500 1.00 0.00 C ATOM 245 CG GLN A 16 17.552 12.167 -19.737 1.00 0.00 C ATOM 246 CD GLN A 16 18.732 12.522 -18.854 1.00 0.00 C ATOM 247 OE1 GLN A 16 19.848 12.716 -19.338 1.00 0.00 O ATOM 248 NE2 GLN A 16 18.493 12.610 -17.551 1.00 0.00 N ATOM 0 H GLN A 16 18.060 7.934 -20.331 1.00 0.00 H new ATOM 0 HA GLN A 16 16.479 10.004 -19.008 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.824 10.627 -20.505 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.462 11.015 -21.538 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.377 12.976 -20.446 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.656 12.082 -19.122 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.553 12.441 -17.192 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.249 12.846 -16.909 1.00 0.00 H new ATOM 257 N GLU A 17 14.737 8.916 -20.412 1.00 0.00 N ATOM 258 CA GLU A 17 13.644 8.455 -21.260 1.00 0.00 C ATOM 259 C GLU A 17 13.448 9.389 -22.451 1.00 0.00 C ATOM 260 O GLU A 17 13.648 10.599 -22.346 1.00 0.00 O ATOM 261 CB GLU A 17 12.348 8.361 -20.453 1.00 0.00 C ATOM 262 CG GLU A 17 11.986 9.648 -19.731 1.00 0.00 C ATOM 263 CD GLU A 17 11.386 10.688 -20.658 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.720 10.296 -21.638 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.583 11.894 -20.402 1.00 0.00 O ATOM 0 H GLU A 17 14.504 8.983 -19.421 1.00 0.00 H new ATOM 0 HA GLU A 17 13.902 7.465 -21.636 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.532 8.088 -21.122 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.443 7.558 -19.722 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.277 9.426 -18.933 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.879 10.059 -19.259 1.00 0.00 H new ATOM 272 N LYS A 18 13.055 8.818 -23.584 1.00 0.00 N ATOM 273 CA LYS A 18 12.830 9.597 -24.796 1.00 0.00 C ATOM 274 C LYS A 18 11.378 9.491 -25.250 1.00 0.00 C ATOM 275 O LYS A 18 10.859 10.387 -25.916 1.00 0.00 O ATOM 276 CB LYS A 18 13.760 9.119 -25.914 1.00 0.00 C ATOM 277 CG LYS A 18 13.597 7.648 -26.254 1.00 0.00 C ATOM 278 CD LYS A 18 14.451 6.770 -25.354 1.00 0.00 C ATOM 279 CE LYS A 18 15.599 6.134 -26.123 1.00 0.00 C ATOM 280 NZ LYS A 18 16.850 6.934 -26.014 1.00 0.00 N ATOM 0 H LYS A 18 12.885 7.818 -23.689 1.00 0.00 H new ATOM 0 HA LYS A 18 13.047 10.641 -24.572 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.574 9.713 -26.809 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.793 9.303 -25.619 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.549 7.364 -26.153 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.874 7.481 -27.295 1.00 0.00 H new ATOM 0 HD2 LYS A 18 14.848 7.366 -24.533 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.832 5.990 -24.911 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.777 5.128 -25.743 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.322 6.034 -27.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.608 6.467 -26.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.688 7.886 -26.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.129 7.008 -25.015 1.00 0.00 H new ATOM 294 N SER A 19 10.726 8.392 -24.883 1.00 0.00 N ATOM 295 CA SER A 19 9.334 8.169 -25.254 1.00 0.00 C ATOM 296 C SER A 19 8.481 7.892 -24.020 1.00 0.00 C ATOM 297 O SER A 19 8.981 7.521 -22.958 1.00 0.00 O ATOM 298 CB SER A 19 9.227 7.000 -26.235 1.00 0.00 C ATOM 299 OG SER A 19 8.984 7.461 -27.553 1.00 0.00 O ATOM 0 H SER A 19 11.140 7.642 -24.329 1.00 0.00 H new ATOM 0 HA SER A 19 8.962 9.073 -25.736 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.148 6.418 -26.214 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.422 6.334 -25.925 1.00 0.00 H new ATOM 0 HG SER A 19 8.921 6.695 -28.161 1.00 0.00 H new ATOM 305 N PRO A 20 7.160 8.075 -24.162 1.00 0.00 N ATOM 306 CA PRO A 20 6.207 7.850 -23.070 1.00 0.00 C ATOM 307 C PRO A 20 6.064 6.373 -22.721 1.00 0.00 C ATOM 308 O PRO A 20 5.565 6.024 -21.651 1.00 0.00 O ATOM 309 CB PRO A 20 4.892 8.398 -23.629 1.00 0.00 C ATOM 310 CG PRO A 20 5.035 8.293 -25.108 1.00 0.00 C ATOM 311 CD PRO A 20 6.494 8.515 -25.399 1.00 0.00 C ATOM 0 HA PRO A 20 6.526 8.330 -22.145 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.039 7.821 -23.272 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.730 9.430 -23.319 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.711 7.315 -25.463 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.419 9.036 -25.614 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.824 7.936 -26.261 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.705 9.562 -25.619 1.00 0.00 H new ATOM 319 N ARG A 21 6.505 5.509 -23.630 1.00 0.00 N ATOM 320 CA ARG A 21 6.425 4.069 -23.417 1.00 0.00 C ATOM 321 C ARG A 21 7.731 3.531 -22.841 1.00 0.00 C ATOM 322 O ARG A 21 8.032 2.344 -22.963 1.00 0.00 O ATOM 323 CB ARG A 21 6.102 3.356 -24.731 1.00 0.00 C ATOM 324 CG ARG A 21 7.171 3.532 -25.798 1.00 0.00 C ATOM 325 CD ARG A 21 7.055 2.472 -26.883 1.00 0.00 C ATOM 326 NE ARG A 21 6.847 3.060 -28.203 1.00 0.00 N ATOM 327 CZ ARG A 21 5.676 3.525 -28.624 1.00 0.00 C ATOM 328 NH1 ARG A 21 4.614 3.471 -27.832 1.00 0.00 N ATOM 329 NH2 ARG A 21 5.566 4.046 -29.839 1.00 0.00 N ATOM 0 H ARG A 21 6.921 5.781 -24.521 1.00 0.00 H new ATOM 0 HA ARG A 21 5.626 3.876 -22.701 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.969 2.292 -24.534 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.153 3.731 -25.114 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.082 4.522 -26.244 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.158 3.477 -25.338 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.960 1.865 -26.895 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.226 1.803 -26.649 1.00 0.00 H new ATOM 0 HE ARG A 21 7.644 3.117 -28.837 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.695 3.072 -26.897 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.716 3.829 -28.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.381 4.090 -30.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.666 4.403 -30.161 1.00 0.00 H new ATOM 343 N GLU A 22 8.504 4.413 -22.214 1.00 0.00 N ATOM 344 CA GLU A 22 9.778 4.025 -21.621 1.00 0.00 C ATOM 345 C GLU A 22 9.979 4.706 -20.270 1.00 0.00 C ATOM 346 O GLU A 22 9.211 5.589 -19.887 1.00 0.00 O ATOM 347 CB GLU A 22 10.932 4.381 -22.560 1.00 0.00 C ATOM 348 CG GLU A 22 12.104 3.418 -22.476 1.00 0.00 C ATOM 349 CD GLU A 22 12.262 2.580 -23.731 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.243 2.330 -24.408 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.403 2.175 -24.035 1.00 0.00 O ATOM 0 H GLU A 22 8.270 5.400 -22.104 1.00 0.00 H new ATOM 0 HA GLU A 22 9.764 2.946 -21.466 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.562 4.401 -23.585 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.282 5.387 -22.327 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.021 3.982 -22.302 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.967 2.759 -21.618 1.00 0.00 H new ATOM 358 N VAL A 23 11.017 4.289 -19.552 1.00 0.00 N ATOM 359 CA VAL A 23 11.319 4.858 -18.244 1.00 0.00 C ATOM 360 C VAL A 23 12.763 5.343 -18.177 1.00 0.00 C ATOM 361 O VAL A 23 13.508 5.251 -19.154 1.00 0.00 O ATOM 362 CB VAL A 23 11.080 3.835 -17.118 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.593 3.698 -16.828 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.687 2.489 -17.483 1.00 0.00 C ATOM 0 H VAL A 23 11.663 3.559 -19.854 1.00 0.00 H new ATOM 0 HA VAL A 23 10.647 5.705 -18.104 1.00 0.00 H new ATOM 0 HB VAL A 23 11.570 4.195 -16.214 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.443 2.971 -16.030 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.192 4.663 -16.519 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.077 3.361 -17.727 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.509 1.779 -16.676 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.228 2.119 -18.400 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.760 2.603 -17.635 1.00 0.00 H new ATOM 374 N THR A 24 13.155 5.859 -17.016 1.00 0.00 N ATOM 375 CA THR A 24 14.510 6.359 -16.820 1.00 0.00 C ATOM 376 C THR A 24 15.042 5.981 -15.443 1.00 0.00 C ATOM 377 O THR A 24 14.287 5.545 -14.574 1.00 0.00 O ATOM 378 CB THR A 24 14.572 7.890 -16.980 1.00 0.00 C ATOM 379 OG1 THR A 24 15.917 8.300 -17.248 1.00 0.00 O ATOM 380 CG2 THR A 24 14.065 8.586 -15.726 1.00 0.00 C ATOM 0 H THR A 24 12.553 5.941 -16.197 1.00 0.00 H new ATOM 0 HA THR A 24 15.132 5.895 -17.586 1.00 0.00 H new ATOM 0 HB THR A 24 13.933 8.172 -17.817 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.027 9.242 -17.001 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.118 9.666 -15.863 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.031 8.294 -15.541 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.682 8.297 -14.875 1.00 0.00 H new ATOM 388 N MET A 25 16.346 6.152 -15.249 1.00 0.00 N ATOM 389 CA MET A 25 16.978 5.831 -13.975 1.00 0.00 C ATOM 390 C MET A 25 18.048 6.859 -13.624 1.00 0.00 C ATOM 391 O MET A 25 18.397 7.711 -14.442 1.00 0.00 O ATOM 392 CB MET A 25 17.595 4.432 -14.027 1.00 0.00 C ATOM 393 CG MET A 25 16.732 3.413 -14.752 1.00 0.00 C ATOM 394 SD MET A 25 17.134 3.283 -16.505 1.00 0.00 S ATOM 395 CE MET A 25 18.837 2.733 -16.422 1.00 0.00 C ATOM 0 H MET A 25 16.985 6.511 -15.958 1.00 0.00 H new ATOM 0 HA MET A 25 16.211 5.854 -13.201 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.565 4.490 -14.520 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.775 4.085 -13.009 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.856 2.438 -14.282 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.683 3.688 -14.643 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.470 3.424 -16.979 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.160 2.704 -15.381 1.00 0.00 H new ATOM 0 HE3 MET A 25 18.919 1.736 -16.855 1.00 0.00 H new ATOM 405 N LYS A 26 18.566 6.775 -12.403 1.00 0.00 N ATOM 406 CA LYS A 26 19.597 7.697 -11.944 1.00 0.00 C ATOM 407 C LYS A 26 20.800 6.938 -11.394 1.00 0.00 C ATOM 408 O LYS A 26 20.673 5.805 -10.927 1.00 0.00 O ATOM 409 CB LYS A 26 19.034 8.629 -10.869 1.00 0.00 C ATOM 410 CG LYS A 26 17.854 9.461 -11.341 1.00 0.00 C ATOM 411 CD LYS A 26 17.136 10.122 -10.177 1.00 0.00 C ATOM 412 CE LYS A 26 17.781 11.449 -9.806 1.00 0.00 C ATOM 413 NZ LYS A 26 18.913 11.269 -8.856 1.00 0.00 N ATOM 0 H LYS A 26 18.288 6.077 -11.713 1.00 0.00 H new ATOM 0 HA LYS A 26 19.924 8.291 -12.797 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.727 8.034 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.825 9.297 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.202 10.225 -12.036 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.156 8.827 -11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.090 10.285 -10.438 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.149 9.456 -9.314 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.140 11.943 -10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.033 12.104 -9.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.772 11.882 -8.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 18.954 10.276 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.805 11.523 -9.327 1.00 0.00 H new ATOM 427 N LYS A 27 21.968 7.568 -11.450 1.00 0.00 N ATOM 428 CA LYS A 27 23.195 6.954 -10.956 1.00 0.00 C ATOM 429 C LYS A 27 23.039 6.524 -9.500 1.00 0.00 C ATOM 430 O LYS A 27 23.046 7.356 -8.593 1.00 0.00 O ATOM 431 CB LYS A 27 24.367 7.928 -11.088 1.00 0.00 C ATOM 432 CG LYS A 27 24.081 9.306 -10.517 1.00 0.00 C ATOM 433 CD LYS A 27 23.898 10.339 -11.616 1.00 0.00 C ATOM 434 CE LYS A 27 24.371 11.715 -11.173 1.00 0.00 C ATOM 435 NZ LYS A 27 23.899 12.787 -12.092 1.00 0.00 N ATOM 0 H LYS A 27 22.091 8.505 -11.833 1.00 0.00 H new ATOM 0 HA LYS A 27 23.397 6.069 -11.559 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.236 7.508 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.629 8.028 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.183 9.266 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 27 24.901 9.608 -9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.452 10.031 -12.502 1.00 0.00 H new ATOM 0 HD3 LYS A 27 22.846 10.388 -11.899 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.009 11.916 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.460 11.728 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 24.242 13.709 -11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.265 12.610 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.859 12.792 -12.114 1.00 0.00 H new ATOM 449 N GLY A 28 22.901 5.220 -9.284 1.00 0.00 N ATOM 450 CA GLY A 28 22.747 4.703 -7.937 1.00 0.00 C ATOM 451 C GLY A 28 21.293 4.516 -7.550 1.00 0.00 C ATOM 452 O GLY A 28 20.959 4.483 -6.365 1.00 0.00 O ATOM 0 H GLY A 28 22.893 4.512 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.267 3.748 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.222 5.386 -7.233 1.00 0.00 H new ATOM 456 N ASP A 29 20.427 4.397 -8.550 1.00 0.00 N ATOM 457 CA ASP A 29 19.001 4.213 -8.308 1.00 0.00 C ATOM 458 C ASP A 29 18.643 2.731 -8.264 1.00 0.00 C ATOM 459 O ASP A 29 19.492 1.871 -8.501 1.00 0.00 O ATOM 460 CB ASP A 29 18.183 4.916 -9.393 1.00 0.00 C ATOM 461 CG ASP A 29 16.814 5.343 -8.901 1.00 0.00 C ATOM 462 OD1 ASP A 29 16.721 5.835 -7.757 1.00 0.00 O ATOM 463 OD2 ASP A 29 15.836 5.186 -9.661 1.00 0.00 O ATOM 0 H ASP A 29 20.687 4.425 -9.536 1.00 0.00 H new ATOM 0 HA ASP A 29 18.762 4.654 -7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.729 5.791 -9.745 1.00 0.00 H new ATOM 0 HB3 ASP A 29 18.067 4.248 -10.247 1.00 0.00 H new ATOM 468 N ILE A 30 17.383 2.440 -7.959 1.00 0.00 N ATOM 469 CA ILE A 30 16.914 1.062 -7.884 1.00 0.00 C ATOM 470 C ILE A 30 15.527 0.920 -8.501 1.00 0.00 C ATOM 471 O ILE A 30 14.621 1.701 -8.206 1.00 0.00 O ATOM 472 CB ILE A 30 16.871 0.560 -6.429 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.229 0.769 -5.754 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.472 -0.907 -6.386 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.224 0.449 -4.276 1.00 0.00 C ATOM 0 H ILE A 30 16.669 3.140 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 30 17.624 0.456 -8.447 1.00 0.00 H new ATOM 0 HB ILE A 30 16.123 1.135 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.972 0.145 -6.250 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.539 1.805 -5.892 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.446 -1.247 -5.351 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.485 -1.029 -6.833 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.198 -1.498 -6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.218 0.620 -3.863 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.505 1.091 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.945 -0.595 -4.131 1.00 0.00 H new ATOM 487 N LEU A 31 15.366 -0.084 -9.356 1.00 0.00 N ATOM 488 CA LEU A 31 14.087 -0.331 -10.014 1.00 0.00 C ATOM 489 C LEU A 31 13.702 -1.804 -9.918 1.00 0.00 C ATOM 490 O LEU A 31 14.535 -2.690 -10.113 1.00 0.00 O ATOM 491 CB LEU A 31 14.155 0.095 -11.481 1.00 0.00 C ATOM 492 CG LEU A 31 14.205 1.602 -11.740 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.087 2.309 -10.990 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.559 2.167 -11.340 1.00 0.00 C ATOM 0 H LEU A 31 16.105 -0.740 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 31 13.325 0.259 -9.506 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.037 -0.360 -11.930 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.287 -0.314 -11.998 1.00 0.00 H new ATOM 0 HG LEU A 31 14.064 1.773 -12.807 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.138 3.380 -11.186 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.124 1.924 -11.325 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.197 2.130 -9.920 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.576 3.240 -11.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.730 1.985 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.342 1.682 -11.923 1.00 0.00 H new ATOM 506 N THR A 32 12.432 -2.060 -9.618 1.00 0.00 N ATOM 507 CA THR A 32 11.935 -3.425 -9.498 1.00 0.00 C ATOM 508 C THR A 32 11.717 -4.054 -10.869 1.00 0.00 C ATOM 509 O THR A 32 11.006 -3.501 -11.711 1.00 0.00 O ATOM 510 CB THR A 32 10.615 -3.474 -8.706 1.00 0.00 C ATOM 511 OG1 THR A 32 10.449 -2.267 -7.955 1.00 0.00 O ATOM 512 CG2 THR A 32 10.592 -4.670 -7.766 1.00 0.00 C ATOM 0 H THR A 32 11.729 -1.339 -9.454 1.00 0.00 H new ATOM 0 HA THR A 32 12.694 -3.992 -8.959 1.00 0.00 H new ATOM 0 HB THR A 32 9.794 -3.575 -9.416 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.607 -2.306 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.650 -4.684 -7.217 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.689 -5.589 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.421 -4.595 -7.062 1.00 0.00 H new ATOM 520 N LEU A 33 12.329 -5.211 -11.089 1.00 0.00 N ATOM 521 CA LEU A 33 12.201 -5.917 -12.359 1.00 0.00 C ATOM 522 C LEU A 33 10.866 -6.649 -12.443 1.00 0.00 C ATOM 523 O LEU A 33 10.566 -7.513 -11.617 1.00 0.00 O ATOM 524 CB LEU A 33 13.352 -6.909 -12.533 1.00 0.00 C ATOM 525 CG LEU A 33 13.390 -7.667 -13.861 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.452 -8.863 -13.820 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.027 -6.742 -15.013 1.00 0.00 C ATOM 0 H LEU A 33 12.920 -5.681 -10.404 1.00 0.00 H new ATOM 0 HA LEU A 33 12.241 -5.180 -13.161 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.292 -6.368 -12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.303 -7.637 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 33 14.405 -8.032 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.492 -9.390 -14.773 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.757 -9.537 -13.020 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.433 -8.520 -13.638 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.059 -7.298 -15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.023 -6.347 -14.860 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.739 -5.918 -15.056 1.00 0.00 H new ATOM 539 N LEU A 34 10.067 -6.301 -13.446 1.00 0.00 N ATOM 540 CA LEU A 34 8.764 -6.927 -13.639 1.00 0.00 C ATOM 541 C LEU A 34 8.856 -8.079 -14.635 1.00 0.00 C ATOM 542 O LEU A 34 8.151 -9.079 -14.508 1.00 0.00 O ATOM 543 CB LEU A 34 7.748 -5.894 -14.129 1.00 0.00 C ATOM 544 CG LEU A 34 6.915 -5.206 -13.047 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.933 -6.187 -12.426 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.818 -4.604 -11.981 1.00 0.00 C ATOM 0 H LEU A 34 10.299 -5.589 -14.138 1.00 0.00 H new ATOM 0 HA LEU A 34 8.434 -7.326 -12.680 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.282 -5.127 -14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.068 -6.385 -14.826 1.00 0.00 H new ATOM 0 HG LEU A 34 6.347 -4.399 -13.510 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.349 -5.680 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.264 -6.570 -13.197 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.481 -7.015 -11.977 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.208 -4.119 -11.219 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.413 -5.393 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.480 -3.869 -12.438 1.00 0.00 H new ATOM 558 N ASN A 35 9.730 -7.931 -15.625 1.00 0.00 N ATOM 559 CA ASN A 35 9.916 -8.960 -16.641 1.00 0.00 C ATOM 560 C ASN A 35 11.310 -8.873 -17.255 1.00 0.00 C ATOM 561 O ASN A 35 11.769 -7.794 -17.629 1.00 0.00 O ATOM 562 CB ASN A 35 8.855 -8.822 -17.735 1.00 0.00 C ATOM 563 CG ASN A 35 7.797 -9.906 -17.655 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.646 -9.640 -17.310 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.184 -11.135 -17.973 1.00 0.00 N ATOM 0 H ASN A 35 10.321 -7.108 -15.745 1.00 0.00 H new ATOM 0 HA ASN A 35 9.810 -9.933 -16.161 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.378 -7.846 -17.653 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.337 -8.860 -18.712 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.516 -11.905 -17.937 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.149 -11.309 -18.254 1.00 0.00 H new ATOM 572 N SER A 36 11.978 -10.018 -17.355 1.00 0.00 N ATOM 573 CA SER A 36 13.321 -10.072 -17.921 1.00 0.00 C ATOM 574 C SER A 36 13.380 -11.049 -19.090 1.00 0.00 C ATOM 575 O SER A 36 14.368 -11.761 -19.273 1.00 0.00 O ATOM 576 CB SER A 36 14.333 -10.481 -16.848 1.00 0.00 C ATOM 577 OG SER A 36 13.871 -11.601 -16.113 1.00 0.00 O ATOM 0 H SER A 36 11.611 -10.920 -17.052 1.00 0.00 H new ATOM 0 HA SER A 36 13.573 -9.078 -18.289 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.288 -10.718 -17.316 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.508 -9.645 -16.171 1.00 0.00 H new ATOM 0 HG SER A 36 14.536 -11.844 -15.435 1.00 0.00 H new ATOM 583 N THR A 37 12.312 -11.079 -19.883 1.00 0.00 N ATOM 584 CA THR A 37 12.240 -11.969 -21.034 1.00 0.00 C ATOM 585 C THR A 37 13.380 -11.700 -22.009 1.00 0.00 C ATOM 586 O THR A 37 13.776 -12.580 -22.773 1.00 0.00 O ATOM 587 CB THR A 37 10.899 -11.818 -21.777 1.00 0.00 C ATOM 588 OG1 THR A 37 10.878 -10.586 -22.506 1.00 0.00 O ATOM 589 CG2 THR A 37 9.732 -11.855 -20.801 1.00 0.00 C ATOM 0 H THR A 37 11.486 -10.497 -19.748 1.00 0.00 H new ATOM 0 HA THR A 37 12.324 -12.987 -20.653 1.00 0.00 H new ATOM 0 HB THR A 37 10.798 -12.652 -22.471 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.023 -10.499 -22.977 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.796 -11.747 -21.349 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.733 -12.806 -20.269 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.830 -11.039 -20.085 1.00 0.00 H new ATOM 597 N ASN A 38 13.905 -10.480 -21.977 1.00 0.00 N ATOM 598 CA ASN A 38 15.002 -10.096 -22.859 1.00 0.00 C ATOM 599 C ASN A 38 16.291 -9.896 -22.068 1.00 0.00 C ATOM 600 O ASN A 38 16.286 -9.905 -20.837 1.00 0.00 O ATOM 601 CB ASN A 38 14.650 -8.814 -23.616 1.00 0.00 C ATOM 602 CG ASN A 38 15.244 -8.784 -25.011 1.00 0.00 C ATOM 603 OD1 ASN A 38 15.925 -7.831 -25.388 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.986 -9.832 -25.785 1.00 0.00 N ATOM 0 H ASN A 38 13.589 -9.740 -21.350 1.00 0.00 H new ATOM 0 HA ASN A 38 15.158 -10.902 -23.576 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.566 -8.721 -23.684 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.009 -7.953 -23.053 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.358 -9.869 -26.734 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.416 -10.600 -25.430 1.00 0.00 H new ATOM 611 N LYS A 39 17.395 -9.713 -22.784 1.00 0.00 N ATOM 612 CA LYS A 39 18.693 -9.509 -22.151 1.00 0.00 C ATOM 613 C LYS A 39 19.197 -8.089 -22.391 1.00 0.00 C ATOM 614 O LYS A 39 19.953 -7.545 -21.586 1.00 0.00 O ATOM 615 CB LYS A 39 19.710 -10.520 -22.686 1.00 0.00 C ATOM 616 CG LYS A 39 19.777 -10.570 -24.203 1.00 0.00 C ATOM 617 CD LYS A 39 20.957 -11.400 -24.681 1.00 0.00 C ATOM 618 CE LYS A 39 20.720 -12.886 -24.457 1.00 0.00 C ATOM 619 NZ LYS A 39 19.773 -13.453 -25.457 1.00 0.00 N ATOM 0 H LYS A 39 17.417 -9.702 -23.804 1.00 0.00 H new ATOM 0 HA LYS A 39 18.573 -9.658 -21.078 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.697 -10.272 -22.295 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.458 -11.511 -22.309 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.852 -10.991 -24.595 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.859 -9.558 -24.598 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.129 -11.214 -25.741 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.859 -11.091 -24.153 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.670 -13.418 -24.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.326 -13.044 -23.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.729 -14.486 -25.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.827 -13.048 -25.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.101 -13.222 -26.416 1.00 0.00 H new ATOM 633 N ASP A 40 18.774 -7.496 -23.501 1.00 0.00 N ATOM 634 CA ASP A 40 19.181 -6.138 -23.846 1.00 0.00 C ATOM 635 C ASP A 40 18.392 -5.113 -23.037 1.00 0.00 C ATOM 636 O ASP A 40 18.962 -4.170 -22.488 1.00 0.00 O ATOM 637 CB ASP A 40 18.983 -5.888 -25.342 1.00 0.00 C ATOM 638 CG ASP A 40 19.797 -6.837 -26.200 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.042 -6.793 -26.116 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.189 -7.623 -26.956 1.00 0.00 O ATOM 0 H ASP A 40 18.149 -7.934 -24.178 1.00 0.00 H new ATOM 0 HA ASP A 40 20.238 -6.029 -23.605 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.927 -5.995 -25.589 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.262 -4.861 -25.576 1.00 0.00 H new ATOM 645 N TRP A 41 17.080 -5.303 -22.970 1.00 0.00 N ATOM 646 CA TRP A 41 16.212 -4.394 -22.230 1.00 0.00 C ATOM 647 C TRP A 41 15.340 -5.159 -21.241 1.00 0.00 C ATOM 648 O TRP A 41 14.855 -6.249 -21.541 1.00 0.00 O ATOM 649 CB TRP A 41 15.333 -3.596 -23.194 1.00 0.00 C ATOM 650 CG TRP A 41 16.117 -2.822 -24.211 1.00 0.00 C ATOM 651 CD1 TRP A 41 16.679 -3.309 -25.356 1.00 0.00 C ATOM 652 CD2 TRP A 41 16.426 -1.425 -24.172 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.320 -2.299 -26.032 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.178 -1.133 -25.327 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.138 -0.392 -23.276 1.00 0.00 C ATOM 656 CZ2 TRP A 41 17.646 0.149 -25.606 1.00 0.00 C ATOM 657 CZ3 TRP A 41 16.604 0.880 -23.554 1.00 0.00 C ATOM 658 CH2 TRP A 41 17.350 1.141 -24.711 1.00 0.00 C ATOM 0 H TRP A 41 16.593 -6.079 -23.419 1.00 0.00 H new ATOM 0 HA TRP A 41 16.843 -3.704 -21.671 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.658 -4.279 -23.709 1.00 0.00 H new ATOM 0 HB3 TRP A 41 14.713 -2.906 -22.622 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.627 -4.337 -25.682 1.00 0.00 H new ATOM 0 HE1 TRP A 41 17.820 -2.401 -26.915 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.562 -0.584 -22.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.222 0.353 -26.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 16.389 1.686 -22.868 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.699 2.146 -24.900 1.00 0.00 H new ATOM 669 N TRP A 42 15.144 -4.580 -20.061 1.00 0.00 N ATOM 670 CA TRP A 42 14.329 -5.209 -19.028 1.00 0.00 C ATOM 671 C TRP A 42 13.137 -4.329 -18.666 1.00 0.00 C ATOM 672 O TRP A 42 13.247 -3.104 -18.621 1.00 0.00 O ATOM 673 CB TRP A 42 15.172 -5.485 -17.782 1.00 0.00 C ATOM 674 CG TRP A 42 16.350 -6.373 -18.048 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.428 -7.379 -18.967 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.619 -6.333 -17.385 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.668 -7.968 -18.916 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.417 -7.344 -17.954 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.158 -5.542 -16.367 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.724 -7.583 -17.538 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.455 -5.780 -15.955 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.227 -6.793 -16.540 1.00 0.00 C ATOM 0 H TRP A 42 15.538 -3.677 -19.796 1.00 0.00 H new ATOM 0 HA TRP A 42 13.954 -6.154 -19.420 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.525 -4.538 -17.373 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.543 -5.946 -17.021 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.632 -7.669 -19.636 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.980 -8.744 -19.500 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.571 -4.759 -15.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.320 -8.364 -17.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.881 -5.175 -15.169 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.238 -6.953 -16.197 1.00 0.00 H new ATOM 693 N LYS A 43 11.997 -4.962 -18.407 1.00 0.00 N ATOM 694 CA LYS A 43 10.784 -4.238 -18.047 1.00 0.00 C ATOM 695 C LYS A 43 10.691 -4.050 -16.536 1.00 0.00 C ATOM 696 O LYS A 43 10.444 -5.003 -15.796 1.00 0.00 O ATOM 697 CB LYS A 43 9.549 -4.985 -18.556 1.00 0.00 C ATOM 698 CG LYS A 43 8.238 -4.302 -18.206 1.00 0.00 C ATOM 699 CD LYS A 43 7.834 -3.294 -19.269 1.00 0.00 C ATOM 700 CE LYS A 43 6.649 -3.790 -20.084 1.00 0.00 C ATOM 701 NZ LYS A 43 5.871 -2.664 -20.671 1.00 0.00 N ATOM 0 H LYS A 43 11.888 -5.976 -18.440 1.00 0.00 H new ATOM 0 HA LYS A 43 10.825 -3.255 -18.516 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.618 -5.088 -19.639 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.547 -5.992 -18.140 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.454 -5.051 -18.097 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.334 -3.799 -17.244 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.580 -2.346 -18.795 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.679 -3.103 -19.931 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.004 -4.441 -20.882 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.997 -4.390 -19.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.911 -2.990 -20.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.815 -1.885 -19.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.343 -2.330 -21.535 1.00 0.00 H new ATOM 715 N VAL A 44 10.889 -2.816 -16.084 1.00 0.00 N ATOM 716 CA VAL A 44 10.824 -2.503 -14.661 1.00 0.00 C ATOM 717 C VAL A 44 9.653 -1.577 -14.354 1.00 0.00 C ATOM 718 O VAL A 44 9.107 -0.934 -15.250 1.00 0.00 O ATOM 719 CB VAL A 44 12.128 -1.844 -14.172 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.309 -2.781 -14.372 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.357 -0.522 -14.889 1.00 0.00 C ATOM 0 H VAL A 44 11.096 -2.016 -16.683 1.00 0.00 H new ATOM 0 HA VAL A 44 10.683 -3.447 -14.135 1.00 0.00 H new ATOM 0 HB VAL A 44 12.034 -1.641 -13.105 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.221 -2.298 -14.021 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.145 -3.699 -13.808 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.409 -3.019 -15.431 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.282 -0.070 -14.532 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.430 -0.698 -15.962 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.523 0.150 -14.687 1.00 0.00 H new ATOM 731 N GLU A 45 9.272 -1.515 -13.082 1.00 0.00 N ATOM 732 CA GLU A 45 8.164 -0.668 -12.658 1.00 0.00 C ATOM 733 C GLU A 45 8.667 0.510 -11.827 1.00 0.00 C ATOM 734 O GLU A 45 9.228 0.327 -10.747 1.00 0.00 O ATOM 735 CB GLU A 45 7.151 -1.481 -11.849 1.00 0.00 C ATOM 736 CG GLU A 45 6.062 -0.635 -11.210 1.00 0.00 C ATOM 737 CD GLU A 45 6.470 -0.084 -9.858 1.00 0.00 C ATOM 738 OE1 GLU A 45 6.708 -0.892 -8.936 1.00 0.00 O ATOM 739 OE2 GLU A 45 6.551 1.155 -9.721 1.00 0.00 O ATOM 0 H GLU A 45 9.714 -2.041 -12.328 1.00 0.00 H new ATOM 0 HA GLU A 45 7.676 -0.279 -13.551 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.688 -2.221 -12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.678 -2.029 -11.068 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.812 0.192 -11.875 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.160 -1.236 -11.096 1.00 0.00 H new ATOM 746 N VAL A 46 8.461 1.719 -12.340 1.00 0.00 N ATOM 747 CA VAL A 46 8.892 2.926 -11.646 1.00 0.00 C ATOM 748 C VAL A 46 7.697 3.727 -11.143 1.00 0.00 C ATOM 749 O VAL A 46 6.549 3.415 -11.458 1.00 0.00 O ATOM 750 CB VAL A 46 9.749 3.823 -12.560 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.882 3.022 -13.184 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.886 4.467 -13.634 1.00 0.00 C ATOM 0 H VAL A 46 7.999 1.888 -13.233 1.00 0.00 H new ATOM 0 HA VAL A 46 9.494 2.605 -10.796 1.00 0.00 H new ATOM 0 HB VAL A 46 10.188 4.616 -11.954 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.476 3.672 -13.826 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.515 2.613 -12.397 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.468 2.207 -13.777 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.507 5.097 -14.271 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.418 3.690 -14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.114 5.076 -13.164 1.00 0.00 H new ATOM 762 N LYS A 47 7.974 4.763 -10.357 1.00 0.00 N ATOM 763 CA LYS A 47 6.923 5.612 -9.810 1.00 0.00 C ATOM 764 C LYS A 47 6.757 6.879 -10.644 1.00 0.00 C ATOM 765 O LYS A 47 7.739 7.508 -11.036 1.00 0.00 O ATOM 766 CB LYS A 47 7.240 5.982 -8.360 1.00 0.00 C ATOM 767 CG LYS A 47 6.453 7.176 -7.850 1.00 0.00 C ATOM 768 CD LYS A 47 6.097 7.024 -6.381 1.00 0.00 C ATOM 769 CE LYS A 47 4.980 6.012 -6.179 1.00 0.00 C ATOM 770 NZ LYS A 47 4.321 6.170 -4.854 1.00 0.00 N ATOM 0 H LYS A 47 8.919 5.034 -10.085 1.00 0.00 H new ATOM 0 HA LYS A 47 5.988 5.053 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.034 5.123 -7.722 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.305 6.196 -8.273 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.037 8.085 -7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.541 7.289 -8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.979 6.710 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.792 7.990 -5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.238 6.127 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.384 5.003 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.397 5.693 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.919 5.747 -4.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.185 7.181 -4.652 1.00 0.00 H new ATOM 784 N ALA A 48 5.508 7.247 -10.910 1.00 0.00 N ATOM 785 CA ALA A 48 5.214 8.440 -11.694 1.00 0.00 C ATOM 786 C ALA A 48 4.310 9.395 -10.923 1.00 0.00 C ATOM 787 O ALA A 48 3.338 8.975 -10.294 1.00 0.00 O ATOM 788 CB ALA A 48 4.572 8.056 -13.019 1.00 0.00 C ATOM 0 H ALA A 48 4.684 6.736 -10.594 1.00 0.00 H new ATOM 0 HA ALA A 48 6.154 8.954 -11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.358 8.957 -13.594 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.254 7.419 -13.583 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.644 7.517 -12.831 1.00 0.00 H new ATOM 794 N THR A 49 4.636 10.683 -10.973 1.00 0.00 N ATOM 795 CA THR A 49 3.855 11.697 -10.278 1.00 0.00 C ATOM 796 C THR A 49 3.094 12.577 -11.263 1.00 0.00 C ATOM 797 O THR A 49 3.694 13.343 -12.017 1.00 0.00 O ATOM 798 CB THR A 49 4.749 12.589 -9.396 1.00 0.00 C ATOM 799 OG1 THR A 49 5.556 11.776 -8.537 1.00 0.00 O ATOM 800 CG2 THR A 49 3.907 13.540 -8.558 1.00 0.00 C ATOM 0 H THR A 49 5.437 11.048 -11.489 1.00 0.00 H new ATOM 0 HA THR A 49 3.144 11.167 -9.644 1.00 0.00 H new ATOM 0 HB THR A 49 5.393 13.178 -10.049 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.123 12.350 -7.981 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.560 14.159 -7.944 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.315 14.177 -9.215 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.241 12.965 -7.914 1.00 0.00 H new ATOM 808 N ALA A 50 1.770 12.463 -11.252 1.00 0.00 N ATOM 809 CA ALA A 50 0.928 13.250 -12.143 1.00 0.00 C ATOM 810 C ALA A 50 -0.276 13.820 -11.400 1.00 0.00 C ATOM 811 O ALA A 50 -0.932 13.118 -10.632 1.00 0.00 O ATOM 812 CB ALA A 50 0.471 12.404 -13.322 1.00 0.00 C ATOM 0 H ALA A 50 1.258 11.833 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 50 1.520 14.085 -12.517 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.157 13.005 -13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.341 12.051 -13.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.099 11.549 -12.957 1.00 0.00 H new ATOM 818 N ASN A 51 -0.560 15.097 -11.634 1.00 0.00 N ATOM 819 CA ASN A 51 -1.685 15.761 -10.985 1.00 0.00 C ATOM 820 C ASN A 51 -1.563 15.679 -9.466 1.00 0.00 C ATOM 821 O ASN A 51 -2.557 15.770 -8.747 1.00 0.00 O ATOM 822 CB ASN A 51 -3.005 15.132 -11.436 1.00 0.00 C ATOM 823 CG ASN A 51 -3.026 14.839 -12.924 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.201 15.741 -13.743 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.849 13.572 -13.280 1.00 0.00 N ATOM 0 H ASN A 51 -0.027 15.693 -12.268 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.672 16.811 -11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.171 14.207 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.828 15.803 -11.189 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.855 13.314 -14.267 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.707 12.857 -12.567 1.00 0.00 H new ATOM 832 N GLY A 52 -0.335 15.508 -8.985 1.00 0.00 N ATOM 833 CA GLY A 52 -0.105 15.417 -7.555 1.00 0.00 C ATOM 834 C GLY A 52 -0.267 14.004 -7.030 1.00 0.00 C ATOM 835 O GLY A 52 0.048 13.723 -5.874 1.00 0.00 O ATOM 0 H GLY A 52 0.504 15.431 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.900 15.772 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.801 16.076 -7.036 1.00 0.00 H new ATOM 839 N LYS A 53 -0.761 13.112 -7.881 1.00 0.00 N ATOM 840 CA LYS A 53 -0.966 11.720 -7.498 1.00 0.00 C ATOM 841 C LYS A 53 0.182 10.846 -7.991 1.00 0.00 C ATOM 842 O LYS A 53 0.684 11.028 -9.101 1.00 0.00 O ATOM 843 CB LYS A 53 -2.292 11.204 -8.061 1.00 0.00 C ATOM 844 CG LYS A 53 -3.437 11.253 -7.064 1.00 0.00 C ATOM 845 CD LYS A 53 -3.727 12.676 -6.617 1.00 0.00 C ATOM 846 CE LYS A 53 -4.382 13.485 -7.727 1.00 0.00 C ATOM 847 NZ LYS A 53 -5.775 13.033 -7.995 1.00 0.00 N ATOM 0 H LYS A 53 -1.027 13.328 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.997 11.670 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.559 11.794 -8.937 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.158 10.176 -8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.331 10.823 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.191 10.641 -6.196 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.379 12.659 -5.744 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.799 13.159 -6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.389 14.540 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.790 13.397 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.265 13.743 -8.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.754 12.125 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.281 12.914 -7.094 1.00 0.00 H new ATOM 861 N THR A 54 0.594 9.893 -7.160 1.00 0.00 N ATOM 862 CA THR A 54 1.683 8.990 -7.512 1.00 0.00 C ATOM 863 C THR A 54 1.149 7.643 -7.985 1.00 0.00 C ATOM 864 O THR A 54 0.504 6.919 -7.226 1.00 0.00 O ATOM 865 CB THR A 54 2.632 8.764 -6.320 1.00 0.00 C ATOM 866 OG1 THR A 54 1.909 8.874 -5.090 1.00 0.00 O ATOM 867 CG2 THR A 54 3.772 9.772 -6.337 1.00 0.00 C ATOM 0 H THR A 54 0.190 9.727 -6.238 1.00 0.00 H new ATOM 0 HA THR A 54 2.237 9.463 -8.323 1.00 0.00 H new ATOM 0 HB THR A 54 3.053 7.762 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.519 8.727 -4.337 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.429 9.593 -5.486 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.339 9.665 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.366 10.782 -6.275 1.00 0.00 H new ATOM 875 N TYR A 55 1.421 7.312 -9.242 1.00 0.00 N ATOM 876 CA TYR A 55 0.966 6.052 -9.816 1.00 0.00 C ATOM 877 C TYR A 55 2.139 5.253 -10.376 1.00 0.00 C ATOM 878 O TYR A 55 3.031 5.807 -11.017 1.00 0.00 O ATOM 879 CB TYR A 55 -0.061 6.311 -10.920 1.00 0.00 C ATOM 880 CG TYR A 55 0.540 6.882 -12.184 1.00 0.00 C ATOM 881 CD1 TYR A 55 0.712 8.252 -12.339 1.00 0.00 C ATOM 882 CD2 TYR A 55 0.937 6.050 -13.225 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.260 8.777 -13.493 1.00 0.00 C ATOM 884 CE2 TYR A 55 1.487 6.567 -14.382 1.00 0.00 C ATOM 885 CZ TYR A 55 1.646 7.931 -14.511 1.00 0.00 C ATOM 886 OH TYR A 55 2.194 8.451 -15.662 1.00 0.00 O ATOM 0 H TYR A 55 1.955 7.899 -9.883 1.00 0.00 H new ATOM 0 HA TYR A 55 0.498 5.469 -9.022 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.569 5.376 -11.159 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.819 6.999 -10.545 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.412 8.918 -11.543 1.00 0.00 H new ATOM 0 HD2 TYR A 55 0.813 4.982 -13.127 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.385 9.845 -13.597 1.00 0.00 H new ATOM 0 HE2 TYR A 55 1.791 5.907 -15.181 1.00 0.00 H new ATOM 0 HH TYR A 55 2.413 7.721 -16.279 1.00 0.00 H new ATOM 896 N GLU A 56 2.129 3.947 -10.128 1.00 0.00 N ATOM 897 CA GLU A 56 3.192 3.071 -10.607 1.00 0.00 C ATOM 898 C GLU A 56 3.062 2.828 -12.108 1.00 0.00 C ATOM 899 O GLU A 56 1.983 2.502 -12.603 1.00 0.00 O ATOM 900 CB GLU A 56 3.160 1.737 -9.858 1.00 0.00 C ATOM 901 CG GLU A 56 3.713 1.818 -8.445 1.00 0.00 C ATOM 902 CD GLU A 56 4.132 0.465 -7.904 1.00 0.00 C ATOM 903 OE1 GLU A 56 3.499 -0.545 -8.275 1.00 0.00 O ATOM 904 OE2 GLU A 56 5.094 0.417 -7.108 1.00 0.00 O ATOM 0 H GLU A 56 1.397 3.473 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 56 4.146 3.563 -10.418 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.132 1.378 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.732 1.000 -10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.570 2.491 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.958 2.250 -7.788 1.00 0.00 H new ATOM 911 N ARG A 57 4.169 2.988 -12.825 1.00 0.00 N ATOM 912 CA ARG A 57 4.179 2.788 -14.269 1.00 0.00 C ATOM 913 C ARG A 57 5.282 1.816 -14.675 1.00 0.00 C ATOM 914 O ARG A 57 6.386 1.852 -14.131 1.00 0.00 O ATOM 915 CB ARG A 57 4.371 4.124 -14.989 1.00 0.00 C ATOM 916 CG ARG A 57 5.565 4.920 -14.488 1.00 0.00 C ATOM 917 CD ARG A 57 5.911 6.060 -15.433 1.00 0.00 C ATOM 918 NE ARG A 57 6.206 5.584 -16.781 1.00 0.00 N ATOM 919 CZ ARG A 57 6.291 6.382 -17.840 1.00 0.00 C ATOM 920 NH1 ARG A 57 6.105 7.688 -17.707 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.564 5.873 -19.035 1.00 0.00 N ATOM 0 H ARG A 57 5.070 3.255 -12.430 1.00 0.00 H new ATOM 0 HA ARG A 57 3.218 2.362 -14.558 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.491 3.938 -16.056 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.469 4.724 -14.870 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.347 5.320 -13.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.426 4.259 -14.383 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.080 6.764 -15.471 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.772 6.604 -15.044 1.00 0.00 H new ATOM 0 HE ARG A 57 6.355 4.584 -16.917 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.896 8.083 -16.790 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.171 8.298 -18.522 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.709 4.869 -19.141 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.629 6.486 -19.848 1.00 0.00 H new ATOM 935 N GLN A 58 4.976 0.947 -15.634 1.00 0.00 N ATOM 936 CA GLN A 58 5.941 -0.035 -16.112 1.00 0.00 C ATOM 937 C GLN A 58 6.620 0.446 -17.389 1.00 0.00 C ATOM 938 O GLN A 58 5.963 0.926 -18.311 1.00 0.00 O ATOM 939 CB GLN A 58 5.253 -1.379 -16.360 1.00 0.00 C ATOM 940 CG GLN A 58 4.804 -2.077 -15.087 1.00 0.00 C ATOM 941 CD GLN A 58 3.884 -3.251 -15.358 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.712 -3.237 -14.981 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.412 -4.277 -16.017 1.00 0.00 N ATOM 0 H GLN A 58 4.067 0.904 -16.095 1.00 0.00 H new ATOM 0 HA GLN A 58 6.703 -0.162 -15.343 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.387 -1.221 -17.003 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.937 -2.033 -16.901 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.680 -2.426 -14.540 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.292 -1.360 -14.445 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.388 -4.246 -16.311 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.841 -5.095 -16.229 1.00 0.00 H new ATOM 952 N GLY A 59 7.943 0.313 -17.437 1.00 0.00 N ATOM 953 CA GLY A 59 8.689 0.739 -18.606 1.00 0.00 C ATOM 954 C GLY A 59 9.878 -0.157 -18.893 1.00 0.00 C ATOM 955 O GLY A 59 10.130 -1.119 -18.167 1.00 0.00 O ATOM 0 H GLY A 59 8.510 -0.082 -16.687 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.027 0.748 -19.472 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.036 1.762 -18.459 1.00 0.00 H new ATOM 959 N PHE A 60 10.610 0.156 -19.957 1.00 0.00 N ATOM 960 CA PHE A 60 11.777 -0.629 -20.341 1.00 0.00 C ATOM 961 C PHE A 60 13.065 0.145 -20.077 1.00 0.00 C ATOM 962 O PHE A 60 13.104 1.369 -20.206 1.00 0.00 O ATOM 963 CB PHE A 60 11.695 -1.016 -21.819 1.00 0.00 C ATOM 964 CG PHE A 60 10.426 -1.733 -22.181 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.335 -3.111 -22.064 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.323 -1.030 -22.638 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.169 -3.773 -22.398 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.154 -1.687 -22.973 1.00 0.00 C ATOM 969 CZ PHE A 60 8.077 -3.060 -22.851 1.00 0.00 C ATOM 0 H PHE A 60 10.415 0.948 -20.569 1.00 0.00 H new ATOM 0 HA PHE A 60 11.788 -1.535 -19.736 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.780 -0.116 -22.427 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.545 -1.651 -22.068 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.185 -3.674 -21.708 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.377 0.044 -22.734 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.112 -4.847 -22.305 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.302 -1.127 -23.330 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.164 -3.576 -23.110 1.00 0.00 H new ATOM 979 N VAL A 61 14.117 -0.577 -19.706 1.00 0.00 N ATOM 980 CA VAL A 61 15.407 0.041 -19.424 1.00 0.00 C ATOM 981 C VAL A 61 16.552 -0.795 -19.985 1.00 0.00 C ATOM 982 O VAL A 61 16.470 -2.020 -20.080 1.00 0.00 O ATOM 983 CB VAL A 61 15.620 0.232 -17.910 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.594 1.203 -17.345 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.552 -1.107 -17.191 1.00 0.00 C ATOM 0 H VAL A 61 14.101 -1.591 -19.594 1.00 0.00 H new ATOM 0 HA VAL A 61 15.402 1.017 -19.909 1.00 0.00 H new ATOM 0 HB VAL A 61 16.612 0.655 -17.750 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.760 1.326 -16.275 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.695 2.168 -17.841 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.591 0.812 -17.514 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.704 -0.954 -16.123 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.575 -1.560 -17.357 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.328 -1.767 -17.578 1.00 0.00 H new ATOM 995 N PRO A 62 17.646 -0.120 -20.366 1.00 0.00 N ATOM 996 CA PRO A 62 18.830 -0.781 -20.924 1.00 0.00 C ATOM 997 C PRO A 62 19.580 -1.603 -19.881 1.00 0.00 C ATOM 998 O PRO A 62 20.020 -1.075 -18.860 1.00 0.00 O ATOM 999 CB PRO A 62 19.694 0.386 -21.407 1.00 0.00 C ATOM 1000 CG PRO A 62 19.277 1.541 -20.563 1.00 0.00 C ATOM 1001 CD PRO A 62 17.813 1.340 -20.282 1.00 0.00 C ATOM 0 HA PRO A 62 18.569 -1.489 -21.710 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.755 0.170 -21.285 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.529 0.589 -22.465 1.00 0.00 H new ATOM 0 HG2 PRO A 62 19.851 1.575 -19.637 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.449 2.485 -21.080 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.537 1.720 -19.298 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.189 1.858 -21.010 1.00 0.00 H new ATOM 1009 N ALA A 63 19.722 -2.898 -20.145 1.00 0.00 N ATOM 1010 CA ALA A 63 20.422 -3.792 -19.230 1.00 0.00 C ATOM 1011 C ALA A 63 21.892 -3.407 -19.104 1.00 0.00 C ATOM 1012 O ALA A 63 22.592 -3.880 -18.209 1.00 0.00 O ATOM 1013 CB ALA A 63 20.289 -5.234 -19.697 1.00 0.00 C ATOM 0 H ALA A 63 19.362 -3.351 -20.985 1.00 0.00 H new ATOM 0 HA ALA A 63 19.964 -3.697 -18.246 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.816 -5.891 -19.005 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.235 -5.511 -19.728 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.720 -5.335 -20.693 1.00 0.00 H new ATOM 1019 N ALA A 64 22.354 -2.547 -20.006 1.00 0.00 N ATOM 1020 CA ALA A 64 23.740 -2.099 -19.994 1.00 0.00 C ATOM 1021 C ALA A 64 23.960 -1.020 -18.939 1.00 0.00 C ATOM 1022 O ALA A 64 25.086 -0.786 -18.501 1.00 0.00 O ATOM 1023 CB ALA A 64 24.141 -1.585 -21.369 1.00 0.00 C ATOM 0 H ALA A 64 21.788 -2.147 -20.754 1.00 0.00 H new ATOM 0 HA ALA A 64 24.369 -2.952 -19.740 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.179 -1.254 -21.345 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.032 -2.384 -22.102 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.499 -0.749 -21.646 1.00 0.00 H new ATOM 1029 N TYR A 65 22.877 -0.364 -18.537 1.00 0.00 N ATOM 1030 CA TYR A 65 22.951 0.693 -17.535 1.00 0.00 C ATOM 1031 C TYR A 65 22.482 0.188 -16.174 1.00 0.00 C ATOM 1032 O TYR A 65 22.892 0.702 -15.133 1.00 0.00 O ATOM 1033 CB TYR A 65 22.105 1.892 -17.965 1.00 0.00 C ATOM 1034 CG TYR A 65 22.648 2.611 -19.180 1.00 0.00 C ATOM 1035 CD1 TYR A 65 22.720 1.975 -20.413 1.00 0.00 C ATOM 1036 CD2 TYR A 65 23.088 3.926 -19.095 1.00 0.00 C ATOM 1037 CE1 TYR A 65 23.215 2.627 -21.526 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.584 4.586 -20.202 1.00 0.00 C ATOM 1039 CZ TYR A 65 23.645 3.933 -21.415 1.00 0.00 C ATOM 1040 OH TYR A 65 24.140 4.587 -22.521 1.00 0.00 O ATOM 0 H TYR A 65 21.937 -0.546 -18.890 1.00 0.00 H new ATOM 0 HA TYR A 65 23.992 1.003 -17.448 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.091 1.553 -18.177 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.039 2.596 -17.136 1.00 0.00 H new ATOM 0 HD1 TYR A 65 22.383 0.953 -20.503 1.00 0.00 H new ATOM 0 HD2 TYR A 65 23.041 4.441 -18.147 1.00 0.00 H new ATOM 0 HE1 TYR A 65 23.265 2.117 -22.477 1.00 0.00 H new ATOM 0 HE2 TYR A 65 23.922 5.608 -20.118 1.00 0.00 H new ATOM 0 HH TYR A 65 24.398 5.499 -22.273 1.00 0.00 H new ATOM 1050 N VAL A 66 21.621 -0.824 -16.190 1.00 0.00 N ATOM 1051 CA VAL A 66 21.096 -1.402 -14.958 1.00 0.00 C ATOM 1052 C VAL A 66 21.464 -2.876 -14.842 1.00 0.00 C ATOM 1053 O VAL A 66 21.618 -3.571 -15.848 1.00 0.00 O ATOM 1054 CB VAL A 66 19.565 -1.258 -14.879 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.179 0.176 -14.552 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.920 -1.710 -16.181 1.00 0.00 C ATOM 0 H VAL A 66 21.272 -1.261 -17.043 1.00 0.00 H new ATOM 0 HA VAL A 66 21.548 -0.852 -14.133 1.00 0.00 H new ATOM 0 HB VAL A 66 19.198 -1.898 -14.077 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.093 0.258 -14.500 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.610 0.459 -13.592 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.556 0.841 -15.329 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.838 -1.602 -16.108 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.291 -1.098 -17.003 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.168 -2.755 -16.366 1.00 0.00 H new ATOM 1066 N LYS A 67 21.604 -3.351 -13.609 1.00 0.00 N ATOM 1067 CA LYS A 67 21.952 -4.744 -13.359 1.00 0.00 C ATOM 1068 C LYS A 67 21.086 -5.331 -12.249 1.00 0.00 C ATOM 1069 O LYS A 67 20.757 -4.650 -11.278 1.00 0.00 O ATOM 1070 CB LYS A 67 23.431 -4.862 -12.983 1.00 0.00 C ATOM 1071 CG LYS A 67 23.825 -6.244 -12.490 1.00 0.00 C ATOM 1072 CD LYS A 67 25.327 -6.460 -12.578 1.00 0.00 C ATOM 1073 CE LYS A 67 25.733 -7.005 -13.938 1.00 0.00 C ATOM 1074 NZ LYS A 67 27.054 -7.692 -13.888 1.00 0.00 N ATOM 0 H LYS A 67 21.481 -2.790 -12.766 1.00 0.00 H new ATOM 0 HA LYS A 67 21.770 -5.308 -14.274 1.00 0.00 H new ATOM 0 HB2 LYS A 67 24.039 -4.608 -13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.660 -4.130 -12.208 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.498 -6.370 -11.458 1.00 0.00 H new ATOM 0 HG3 LYS A 67 23.312 -7.002 -13.082 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.843 -5.517 -12.394 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.642 -7.153 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.974 -7.703 -14.291 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.775 -6.188 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 27.295 -8.049 -14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.783 -7.020 -13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.007 -8.487 -13.219 1.00 0.00 H new ATOM 1088 N LYS A 68 20.721 -6.600 -12.398 1.00 0.00 N ATOM 1089 CA LYS A 68 19.896 -7.281 -11.408 1.00 0.00 C ATOM 1090 C LYS A 68 20.677 -7.517 -10.119 1.00 0.00 C ATOM 1091 O LYS A 68 21.876 -7.798 -10.150 1.00 0.00 O ATOM 1092 CB LYS A 68 19.392 -8.614 -11.964 1.00 0.00 C ATOM 1093 CG LYS A 68 20.495 -9.632 -12.197 1.00 0.00 C ATOM 1094 CD LYS A 68 20.080 -10.680 -13.216 1.00 0.00 C ATOM 1095 CE LYS A 68 20.390 -10.230 -14.636 1.00 0.00 C ATOM 1096 NZ LYS A 68 21.764 -10.621 -15.054 1.00 0.00 N ATOM 0 H LYS A 68 20.984 -7.178 -13.196 1.00 0.00 H new ATOM 0 HA LYS A 68 19.042 -6.643 -11.182 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.662 -9.034 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.872 -8.432 -12.905 1.00 0.00 H new ATOM 0 HG2 LYS A 68 21.394 -9.123 -12.543 1.00 0.00 H new ATOM 0 HG3 LYS A 68 20.747 -10.119 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 68 20.598 -11.616 -13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 68 19.013 -10.879 -13.121 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.664 -10.666 -15.322 1.00 0.00 H new ATOM 0 HE3 LYS A 68 20.284 -9.147 -14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 21.936 -10.296 -16.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 22.459 -10.184 -14.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 21.858 -11.656 -15.013 1.00 0.00 H new