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 :FLIP amide:sc= -0.404 F(o=-2.1!,f=-0.4) 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= -0.918 USER MOD Single : A 25 MET CE :methyl -164:sc= -1.91 (180deg=-3.01!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0.184 (180deg=-0.159) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.38! C(o=-3.4!,f=-7.1!) 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) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= 0.885 (180deg=-0.103) USER MOD Single : A 47 LYS NZ :NH3+ 151:sc= -0.0589 (180deg=-0.899) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.096 K(o=-0.096,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 55 TYR OH : rot 30:sc= -0.141 USER MOD Single : A 58 GLN :FLIP amide:sc= -2.77! C(o=-6.8!,f=-2.8!) 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 -3.791 3.037 -10.325 1.00 0.00 N ATOM 89 CA GLU A 7 -4.085 4.465 -10.357 1.00 0.00 C ATOM 90 C GLU A 7 -3.538 5.162 -9.114 1.00 0.00 C ATOM 91 O GLU A 7 -4.214 5.246 -8.088 1.00 0.00 O ATOM 92 CB GLU A 7 -5.594 4.695 -10.461 1.00 0.00 C ATOM 93 CG GLU A 7 -6.107 4.731 -11.891 1.00 0.00 C ATOM 94 CD GLU A 7 -5.712 6.000 -12.621 1.00 0.00 C ATOM 95 OE1 GLU A 7 -4.896 6.770 -12.074 1.00 0.00 O ATOM 96 OE2 GLU A 7 -6.220 6.222 -13.741 1.00 0.00 O ATOM 0 HA GLU A 7 -3.598 4.890 -11.235 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.112 3.904 -9.918 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.844 5.636 -9.970 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.720 3.869 -12.434 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.193 4.643 -11.886 1.00 0.00 H new ATOM 103 N LEU A 8 -2.310 5.659 -9.215 1.00 0.00 N ATOM 104 CA LEU A 8 -1.671 6.348 -8.099 1.00 0.00 C ATOM 105 C LEU A 8 -1.839 7.859 -8.224 1.00 0.00 C ATOM 106 O LEU A 8 -1.904 8.398 -9.329 1.00 0.00 O ATOM 107 CB LEU A 8 -0.184 5.993 -8.039 1.00 0.00 C ATOM 108 CG LEU A 8 0.155 4.625 -7.446 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.523 4.160 -7.922 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.108 4.677 -5.925 1.00 0.00 C ATOM 0 H LEU A 8 -1.738 5.598 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.154 6.022 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.221 6.039 -9.050 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.328 6.757 -7.455 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.590 3.907 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.747 3.185 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.523 4.083 -9.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.281 4.878 -7.609 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.352 3.695 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.831 5.408 -5.563 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.892 4.965 -5.602 1.00 0.00 H new ATOM 122 N VAL A 9 -1.906 8.538 -7.084 1.00 0.00 N ATOM 123 CA VAL A 9 -2.063 9.988 -7.065 1.00 0.00 C ATOM 124 C VAL A 9 -1.034 10.640 -6.149 1.00 0.00 C ATOM 125 O VAL A 9 -0.698 10.104 -5.092 1.00 0.00 O ATOM 126 CB VAL A 9 -3.475 10.394 -6.603 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.498 10.097 -7.689 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.837 9.680 -5.309 1.00 0.00 C ATOM 0 H VAL A 9 -1.854 8.108 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.909 10.336 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.482 11.467 -6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.490 10.390 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.246 10.657 -8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.492 9.030 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.838 9.978 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.813 8.602 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.120 9.947 -4.533 1.00 0.00 H new ATOM 138 N LEU A 10 -0.535 11.801 -6.561 1.00 0.00 N ATOM 139 CA LEU A 10 0.457 12.529 -5.778 1.00 0.00 C ATOM 140 C LEU A 10 -0.164 13.755 -5.118 1.00 0.00 C ATOM 141 O LEU A 10 -0.990 14.443 -5.716 1.00 0.00 O ATOM 142 CB LEU A 10 1.628 12.951 -6.667 1.00 0.00 C ATOM 143 CG LEU A 10 2.982 13.092 -5.971 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.115 12.803 -6.944 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.133 14.483 -5.373 1.00 0.00 C ATOM 0 H LEU A 10 -0.802 12.258 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 10 0.825 11.865 -4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.729 12.222 -7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.380 13.905 -7.132 1.00 0.00 H new ATOM 0 HG LEU A 10 3.030 12.363 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.071 12.908 -6.431 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.017 11.786 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.070 13.507 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.103 14.565 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.063 15.229 -6.165 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.341 14.653 -4.643 1.00 0.00 H new ATOM 157 N ALA A 11 0.243 14.025 -3.881 1.00 0.00 N ATOM 158 CA ALA A 11 -0.270 15.171 -3.141 1.00 0.00 C ATOM 159 C ALA A 11 0.521 16.434 -3.467 1.00 0.00 C ATOM 160 O ALA A 11 1.749 16.450 -3.374 1.00 0.00 O ATOM 161 CB ALA A 11 -0.233 14.894 -1.646 1.00 0.00 C ATOM 0 H ALA A 11 0.926 13.465 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.305 15.333 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.619 15.759 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.848 14.022 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.795 14.702 -1.337 1.00 0.00 H new ATOM 167 N LEU A 12 -0.190 17.489 -3.850 1.00 0.00 N ATOM 168 CA LEU A 12 0.446 18.757 -4.191 1.00 0.00 C ATOM 169 C LEU A 12 0.607 19.635 -2.954 1.00 0.00 C ATOM 170 O LEU A 12 1.608 20.337 -2.804 1.00 0.00 O ATOM 171 CB LEU A 12 -0.375 19.493 -5.250 1.00 0.00 C ATOM 172 CG LEU A 12 -0.639 18.728 -6.547 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.946 19.181 -7.178 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.517 18.912 -7.520 1.00 0.00 C ATOM 0 H LEU A 12 -1.207 17.492 -3.932 1.00 0.00 H new ATOM 0 HA LEU A 12 1.436 18.542 -4.593 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.335 19.766 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.138 20.422 -5.498 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.723 17.667 -6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.117 18.625 -8.100 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.767 18.996 -6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.892 20.247 -7.401 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.312 18.360 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.633 19.971 -7.751 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.436 18.537 -7.069 1.00 0.00 H new ATOM 186 N TYR A 13 -0.383 19.589 -2.070 1.00 0.00 N ATOM 187 CA TYR A 13 -0.352 20.381 -0.846 1.00 0.00 C ATOM 188 C TYR A 13 -0.433 19.484 0.386 1.00 0.00 C ATOM 189 O TYR A 13 -0.633 18.274 0.274 1.00 0.00 O ATOM 190 CB TYR A 13 -1.504 21.387 -0.835 1.00 0.00 C ATOM 191 CG TYR A 13 -1.550 22.268 -2.062 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.108 21.811 -3.249 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.036 23.559 -2.034 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.152 22.613 -4.374 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.076 24.368 -3.153 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.635 23.890 -4.321 1.00 0.00 C ATOM 197 OH TYR A 13 -1.678 24.693 -5.438 1.00 0.00 O ATOM 0 H TYR A 13 -1.217 19.012 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 13 0.594 20.922 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.447 20.846 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.417 22.016 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.515 20.811 -3.294 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.598 23.936 -1.122 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.589 22.241 -5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.672 25.369 -3.114 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.273 25.562 -5.232 1.00 0.00 H new ATOM 207 N ASP A 14 -0.278 20.086 1.559 1.00 0.00 N ATOM 208 CA ASP A 14 -0.335 19.344 2.813 1.00 0.00 C ATOM 209 C ASP A 14 -1.764 19.282 3.343 1.00 0.00 C ATOM 210 O ASP A 14 -2.544 20.218 3.165 1.00 0.00 O ATOM 211 CB ASP A 14 0.581 19.988 3.855 1.00 0.00 C ATOM 212 CG ASP A 14 0.398 21.491 3.935 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.668 21.982 3.512 1.00 0.00 O ATOM 214 OD2 ASP A 14 1.323 22.176 4.421 1.00 0.00 O ATOM 0 H ASP A 14 -0.112 21.086 1.668 1.00 0.00 H new ATOM 0 HA ASP A 14 0.007 18.327 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.381 19.548 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.619 19.764 3.610 1.00 0.00 H new ATOM 219 N TYR A 15 -2.101 18.174 3.994 1.00 0.00 N ATOM 220 CA TYR A 15 -3.437 17.989 4.547 1.00 0.00 C ATOM 221 C TYR A 15 -3.379 17.231 5.870 1.00 0.00 C ATOM 222 O TYR A 15 -2.521 16.371 6.068 1.00 0.00 O ATOM 223 CB TYR A 15 -4.323 17.235 3.554 1.00 0.00 C ATOM 224 CG TYR A 15 -5.748 17.056 4.028 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.571 18.154 4.247 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.271 15.789 4.255 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.873 17.995 4.681 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.573 15.621 4.687 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.369 16.727 4.899 1.00 0.00 C ATOM 230 OH TYR A 15 -9.666 16.565 5.329 1.00 0.00 O ATOM 0 H TYR A 15 -1.467 17.391 4.152 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.865 18.974 4.731 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.329 17.772 2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.887 16.255 3.363 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.186 19.148 4.075 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.650 14.921 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.499 18.859 4.849 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -7.965 14.629 4.858 1.00 0.00 H new ATOM 0 HH TYR A 15 -9.859 15.610 5.433 1.00 0.00 H new ATOM 240 N GLN A 16 -4.299 17.557 6.772 1.00 0.00 N ATOM 241 CA GLN A 16 -4.353 16.908 8.077 1.00 0.00 C ATOM 242 C GLN A 16 -5.637 16.099 8.230 1.00 0.00 C ATOM 243 O GLN A 16 -6.696 16.503 7.752 1.00 0.00 O ATOM 244 CB GLN A 16 -4.257 17.950 9.193 1.00 0.00 C ATOM 245 CG GLN A 16 -5.387 18.967 9.175 1.00 0.00 C ATOM 246 CD GLN A 16 -5.131 20.106 8.208 1.00 0.00 C ATOM 247 OE1 GLN A 16 -5.847 20.106 7.090 1.00 0.00 O flip ATOM 248 NE2 GLN A 16 -4.298 20.977 8.463 1.00 0.00 N flip ATOM 0 H GLN A 16 -5.017 18.266 6.623 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.505 16.227 8.151 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.254 17.439 10.156 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.306 18.475 9.108 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.317 18.467 8.904 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.523 19.371 10.178 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.770 20.938 9.335 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.137 21.737 7.802 1.00 0.00 H new ATOM 257 N GLU A 17 -5.533 14.954 8.898 1.00 0.00 N ATOM 258 CA GLU A 17 -6.686 14.088 9.112 1.00 0.00 C ATOM 259 C GLU A 17 -7.492 14.544 10.325 1.00 0.00 C ATOM 260 O GLU A 17 -6.933 14.822 11.387 1.00 0.00 O ATOM 261 CB GLU A 17 -6.235 12.638 9.301 1.00 0.00 C ATOM 262 CG GLU A 17 -5.552 12.382 10.634 1.00 0.00 C ATOM 263 CD GLU A 17 -6.526 11.959 11.717 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.746 11.954 11.448 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.069 11.633 12.832 1.00 0.00 O ATOM 0 H GLU A 17 -4.663 14.605 9.300 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.323 14.151 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.102 11.983 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.552 12.371 8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.796 11.607 10.508 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.032 13.286 10.951 1.00 0.00 H new ATOM 272 N LYS A 18 -8.808 14.619 10.160 1.00 0.00 N ATOM 273 CA LYS A 18 -9.692 15.041 11.240 1.00 0.00 C ATOM 274 C LYS A 18 -10.582 13.889 11.695 1.00 0.00 C ATOM 275 O LYS A 18 -11.029 13.853 12.842 1.00 0.00 O ATOM 276 CB LYS A 18 -10.557 16.220 10.788 1.00 0.00 C ATOM 277 CG LYS A 18 -11.631 15.837 9.784 1.00 0.00 C ATOM 278 CD LYS A 18 -11.968 16.995 8.860 1.00 0.00 C ATOM 279 CE LYS A 18 -12.551 16.505 7.543 1.00 0.00 C ATOM 280 NZ LYS A 18 -14.033 16.377 7.606 1.00 0.00 N ATOM 0 H LYS A 18 -9.286 14.393 9.288 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.073 15.354 12.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.031 16.668 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.915 16.983 10.347 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.292 14.986 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.529 15.520 10.314 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.681 17.658 9.351 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.069 17.581 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.280 17.197 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -12.114 15.539 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.392 16.041 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.291 15.697 8.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.453 17.304 7.823 1.00 0.00 H new ATOM 294 N SER A 19 -10.835 12.949 10.790 1.00 0.00 N ATOM 295 CA SER A 19 -11.674 11.797 11.099 1.00 0.00 C ATOM 296 C SER A 19 -10.870 10.503 11.018 1.00 0.00 C ATOM 297 O SER A 19 -9.806 10.440 10.403 1.00 0.00 O ATOM 298 CB SER A 19 -12.863 11.733 10.138 1.00 0.00 C ATOM 299 OG SER A 19 -13.046 12.969 9.470 1.00 0.00 O ATOM 0 H SER A 19 -10.471 12.962 9.837 1.00 0.00 H new ATOM 0 HA SER A 19 -12.045 11.911 12.118 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.701 10.941 9.407 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.767 11.477 10.690 1.00 0.00 H new ATOM 0 HG SER A 19 -13.811 12.901 8.861 1.00 0.00 H new ATOM 305 N PRO A 20 -11.391 9.443 11.655 1.00 0.00 N ATOM 306 CA PRO A 20 -10.740 8.130 11.671 1.00 0.00 C ATOM 307 C PRO A 20 -10.773 7.450 10.307 1.00 0.00 C ATOM 308 O PRO A 20 -10.032 6.499 10.058 1.00 0.00 O ATOM 309 CB PRO A 20 -11.566 7.336 12.685 1.00 0.00 C ATOM 310 CG PRO A 20 -12.906 7.987 12.674 1.00 0.00 C ATOM 311 CD PRO A 20 -12.656 9.446 12.409 1.00 0.00 C ATOM 0 HA PRO A 20 -9.683 8.203 11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.634 6.285 12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.116 7.372 13.677 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.544 7.554 11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.416 7.845 13.627 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.466 9.895 11.834 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.570 10.014 13.335 1.00 0.00 H new ATOM 319 N ARG A 21 -11.637 7.944 9.426 1.00 0.00 N ATOM 320 CA ARG A 21 -11.768 7.382 8.086 1.00 0.00 C ATOM 321 C ARG A 21 -10.845 8.098 7.105 1.00 0.00 C ATOM 322 O ARG A 21 -10.438 7.528 6.093 1.00 0.00 O ATOM 323 CB ARG A 21 -13.217 7.484 7.607 1.00 0.00 C ATOM 324 CG ARG A 21 -14.050 6.253 7.922 1.00 0.00 C ATOM 325 CD ARG A 21 -13.616 5.057 7.088 1.00 0.00 C ATOM 326 NE ARG A 21 -14.503 3.912 7.269 1.00 0.00 N ATOM 327 CZ ARG A 21 -15.721 3.835 6.744 1.00 0.00 C ATOM 328 NH1 ARG A 21 -16.193 4.832 6.008 1.00 0.00 N ATOM 329 NH2 ARG A 21 -16.469 2.759 6.953 1.00 0.00 N ATOM 0 H ARG A 21 -12.257 8.732 9.615 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.480 6.332 8.129 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.683 8.355 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.224 7.651 6.530 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.958 6.012 8.981 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.102 6.467 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.597 5.337 6.035 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -12.599 4.775 7.361 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.169 3.128 7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.621 5.660 5.844 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.128 4.771 5.606 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.109 1.989 7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.404 2.702 6.549 1.00 0.00 H new ATOM 343 N GLU A 22 -10.519 9.350 7.412 1.00 0.00 N ATOM 344 CA GLU A 22 -9.645 10.143 6.555 1.00 0.00 C ATOM 345 C GLU A 22 -8.177 9.850 6.856 1.00 0.00 C ATOM 346 O GLU A 22 -7.828 9.442 7.963 1.00 0.00 O ATOM 347 CB GLU A 22 -9.927 11.635 6.743 1.00 0.00 C ATOM 348 CG GLU A 22 -11.030 12.163 5.841 1.00 0.00 C ATOM 349 CD GLU A 22 -12.391 12.143 6.510 1.00 0.00 C ATOM 350 OE1 GLU A 22 -12.745 11.103 7.104 1.00 0.00 O ATOM 351 OE2 GLU A 22 -13.101 13.167 6.440 1.00 0.00 O ATOM 0 H GLU A 22 -10.847 9.836 8.247 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.848 9.870 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.201 11.817 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.012 12.196 6.552 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.792 13.184 5.541 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.068 11.564 4.931 1.00 0.00 H new ATOM 358 N VAL A 23 -7.322 10.062 5.860 1.00 0.00 N ATOM 359 CA VAL A 23 -5.892 9.822 6.016 1.00 0.00 C ATOM 360 C VAL A 23 -5.097 11.112 5.853 1.00 0.00 C ATOM 361 O VAL A 23 -5.490 12.006 5.101 1.00 0.00 O ATOM 362 CB VAL A 23 -5.383 8.785 4.998 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.826 7.385 5.393 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.867 9.131 3.598 1.00 0.00 C ATOM 0 H VAL A 23 -7.595 10.399 4.937 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.744 9.433 7.024 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.293 8.808 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.457 6.666 4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.425 7.140 6.376 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.915 7.343 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.498 8.388 2.891 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.957 9.138 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.493 10.116 3.317 1.00 0.00 H new ATOM 374 N THR A 24 -3.976 11.204 6.561 1.00 0.00 N ATOM 375 CA THR A 24 -3.125 12.385 6.495 1.00 0.00 C ATOM 376 C THR A 24 -2.133 12.285 5.342 1.00 0.00 C ATOM 377 O THR A 24 -1.396 11.306 5.229 1.00 0.00 O ATOM 378 CB THR A 24 -2.348 12.592 7.809 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.263 12.766 8.897 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.433 13.803 7.711 1.00 0.00 C ATOM 0 H THR A 24 -3.636 10.474 7.187 1.00 0.00 H new ATOM 0 HA THR A 24 -3.783 13.239 6.332 1.00 0.00 H new ATOM 0 HB THR A 24 -1.736 11.708 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.761 12.895 9.729 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.895 13.929 8.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.719 13.655 6.901 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.029 14.694 7.512 1.00 0.00 H new ATOM 388 N MET A 25 -2.120 13.304 4.488 1.00 0.00 N ATOM 389 CA MET A 25 -1.216 13.330 3.344 1.00 0.00 C ATOM 390 C MET A 25 -0.373 14.601 3.346 1.00 0.00 C ATOM 391 O MET A 25 -0.727 15.592 3.985 1.00 0.00 O ATOM 392 CB MET A 25 -2.008 13.232 2.039 1.00 0.00 C ATOM 393 CG MET A 25 -3.193 14.183 1.974 1.00 0.00 C ATOM 394 SD MET A 25 -4.202 13.935 0.500 1.00 0.00 S ATOM 395 CE MET A 25 -5.007 15.530 0.370 1.00 0.00 C ATOM 0 H MET A 25 -2.725 14.122 4.567 1.00 0.00 H new ATOM 0 HA MET A 25 -0.548 12.472 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.341 13.438 1.202 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.366 12.210 1.917 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.812 14.047 2.861 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.831 15.211 1.993 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.861 15.453 -0.303 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.349 15.846 1.355 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.301 16.263 -0.022 1.00 0.00 H new ATOM 405 N LYS A 26 0.745 14.565 2.629 1.00 0.00 N ATOM 406 CA LYS A 26 1.639 15.714 2.547 1.00 0.00 C ATOM 407 C LYS A 26 2.152 15.904 1.123 1.00 0.00 C ATOM 408 O LYS A 26 2.273 14.943 0.363 1.00 0.00 O ATOM 409 CB LYS A 26 2.818 15.538 3.506 1.00 0.00 C ATOM 410 CG LYS A 26 2.401 15.333 4.952 1.00 0.00 C ATOM 411 CD LYS A 26 3.606 15.164 5.862 1.00 0.00 C ATOM 412 CE LYS A 26 4.263 16.500 6.172 1.00 0.00 C ATOM 413 NZ LYS A 26 5.333 16.368 7.199 1.00 0.00 N ATOM 0 H LYS A 26 1.054 13.752 2.096 1.00 0.00 H new ATOM 0 HA LYS A 26 1.076 16.602 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.413 14.684 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.461 16.416 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.809 16.186 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.762 14.453 5.026 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.297 14.685 6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.331 14.502 5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.686 16.917 5.258 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.508 17.203 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.756 17.301 7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.925 15.994 8.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.067 15.717 6.854 1.00 0.00 H new ATOM 427 N LYS A 27 2.453 17.149 0.769 1.00 0.00 N ATOM 428 CA LYS A 27 2.956 17.465 -0.563 1.00 0.00 C ATOM 429 C LYS A 27 4.149 16.582 -0.918 1.00 0.00 C ATOM 430 O LYS A 27 5.210 16.680 -0.303 1.00 0.00 O ATOM 431 CB LYS A 27 3.358 18.939 -0.641 1.00 0.00 C ATOM 432 CG LYS A 27 4.173 19.412 0.550 1.00 0.00 C ATOM 433 CD LYS A 27 3.369 20.344 1.441 1.00 0.00 C ATOM 434 CE LYS A 27 3.145 21.694 0.777 1.00 0.00 C ATOM 435 NZ LYS A 27 2.889 22.768 1.777 1.00 0.00 N ATOM 0 H LYS A 27 2.357 17.956 1.386 1.00 0.00 H new ATOM 0 HA LYS A 27 2.158 17.273 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.934 19.102 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.458 19.549 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.506 18.551 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.068 19.925 0.199 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.407 19.887 1.673 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.891 20.485 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.019 21.955 0.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.300 21.626 0.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.193 23.439 1.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.519 22.346 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.777 23.269 1.983 1.00 0.00 H new ATOM 449 N GLY A 28 3.966 15.722 -1.915 1.00 0.00 N ATOM 450 CA GLY A 28 5.036 14.836 -2.335 1.00 0.00 C ATOM 451 C GLY A 28 4.721 13.378 -2.066 1.00 0.00 C ATOM 452 O GLY A 28 5.344 12.485 -2.640 1.00 0.00 O ATOM 0 H GLY A 28 3.097 15.623 -2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.221 14.974 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.954 15.108 -1.814 1.00 0.00 H new ATOM 456 N ASP A 29 3.753 13.136 -1.189 1.00 0.00 N ATOM 457 CA ASP A 29 3.356 11.775 -0.844 1.00 0.00 C ATOM 458 C ASP A 29 2.538 11.146 -1.967 1.00 0.00 C ATOM 459 O ASP A 29 1.908 11.849 -2.758 1.00 0.00 O ATOM 460 CB ASP A 29 2.549 11.771 0.455 1.00 0.00 C ATOM 461 CG ASP A 29 3.021 10.705 1.426 1.00 0.00 C ATOM 462 OD1 ASP A 29 4.242 10.448 1.478 1.00 0.00 O ATOM 463 OD2 ASP A 29 2.168 10.129 2.133 1.00 0.00 O ATOM 0 H ASP A 29 3.229 13.864 -0.704 1.00 0.00 H new ATOM 0 HA ASP A 29 4.261 11.184 -0.703 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.624 12.750 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.496 11.608 0.225 1.00 0.00 H new ATOM 468 N ILE A 30 2.553 9.819 -2.032 1.00 0.00 N ATOM 469 CA ILE A 30 1.813 9.096 -3.058 1.00 0.00 C ATOM 470 C ILE A 30 0.847 8.093 -2.436 1.00 0.00 C ATOM 471 O ILE A 30 1.206 7.360 -1.513 1.00 0.00 O ATOM 472 CB ILE A 30 2.760 8.353 -4.017 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.867 9.290 -4.505 1.00 0.00 C ATOM 474 CG2 ILE A 30 1.983 7.785 -5.195 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.880 8.615 -5.402 1.00 0.00 C ATOM 0 H ILE A 30 3.070 9.223 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 30 1.248 9.839 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 30 3.222 7.526 -3.478 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.415 10.123 -5.044 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.382 9.711 -3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.667 7.263 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.228 7.088 -4.831 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.496 8.597 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.634 9.340 -5.709 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.360 7.800 -4.860 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.378 8.218 -6.284 1.00 0.00 H new ATOM 487 N LEU A 31 -0.378 8.064 -2.947 1.00 0.00 N ATOM 488 CA LEU A 31 -1.396 7.149 -2.443 1.00 0.00 C ATOM 489 C LEU A 31 -2.023 6.351 -3.582 1.00 0.00 C ATOM 490 O LEU A 31 -1.859 6.688 -4.756 1.00 0.00 O ATOM 491 CB LEU A 31 -2.480 7.924 -1.692 1.00 0.00 C ATOM 492 CG LEU A 31 -1.989 9.042 -0.771 1.00 0.00 C ATOM 493 CD1 LEU A 31 -1.977 10.372 -1.507 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.859 9.127 0.474 1.00 0.00 C ATOM 0 H LEU A 31 -0.691 8.664 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.915 6.452 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.162 8.357 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.058 7.217 -1.096 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.969 8.812 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.625 11.156 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.312 10.305 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.986 10.610 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.495 9.928 1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.889 9.334 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.817 8.180 1.013 1.00 0.00 H new ATOM 506 N THR A 32 -2.744 5.292 -3.229 1.00 0.00 N ATOM 507 CA THR A 32 -3.397 4.446 -4.221 1.00 0.00 C ATOM 508 C THR A 32 -4.855 4.847 -4.411 1.00 0.00 C ATOM 509 O THR A 32 -5.707 4.549 -3.573 1.00 0.00 O ATOM 510 CB THR A 32 -3.333 2.960 -3.821 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.974 2.573 -3.590 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.939 2.082 -4.906 1.00 0.00 C ATOM 0 H THR A 32 -2.891 4.999 -2.263 1.00 0.00 H new ATOM 0 HA THR A 32 -2.859 4.586 -5.159 1.00 0.00 H new ATOM 0 HB THR A 32 -3.908 2.827 -2.905 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.942 1.627 -3.334 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.883 1.037 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.982 2.360 -5.059 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.387 2.219 -5.836 1.00 0.00 H new ATOM 520 N LEU A 33 -5.138 5.525 -5.519 1.00 0.00 N ATOM 521 CA LEU A 33 -6.495 5.967 -5.820 1.00 0.00 C ATOM 522 C LEU A 33 -7.453 4.782 -5.878 1.00 0.00 C ATOM 523 O LEU A 33 -7.459 4.022 -6.847 1.00 0.00 O ATOM 524 CB LEU A 33 -6.522 6.725 -7.148 1.00 0.00 C ATOM 525 CG LEU A 33 -7.580 7.822 -7.272 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.954 7.284 -6.901 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.218 9.014 -6.398 1.00 0.00 C ATOM 0 H LEU A 33 -4.446 5.780 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.820 6.634 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.542 7.174 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.678 6.005 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.611 8.154 -8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.694 8.079 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.216 6.464 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.938 6.923 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.982 9.785 -6.499 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.158 8.697 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.254 9.415 -6.711 1.00 0.00 H new ATOM 539 N LEU A 34 -8.264 4.631 -4.836 1.00 0.00 N ATOM 540 CA LEU A 34 -9.229 3.539 -4.770 1.00 0.00 C ATOM 541 C LEU A 34 -10.535 3.924 -5.457 1.00 0.00 C ATOM 542 O LEU A 34 -11.103 3.140 -6.216 1.00 0.00 O ATOM 543 CB LEU A 34 -9.499 3.160 -3.313 1.00 0.00 C ATOM 544 CG LEU A 34 -9.645 1.665 -3.024 1.00 0.00 C ATOM 545 CD1 LEU A 34 -9.070 1.326 -1.658 1.00 0.00 C ATOM 546 CD2 LEU A 34 -11.106 1.246 -3.109 1.00 0.00 C ATOM 0 H LEU A 34 -8.272 5.251 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.806 2.680 -5.291 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.686 3.550 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.411 3.663 -2.991 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.084 1.112 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.183 0.258 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.012 1.589 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -9.602 1.888 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -11.191 0.180 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.688 1.806 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.486 1.452 -4.110 1.00 0.00 H new ATOM 558 N ASN A 35 -11.004 5.138 -5.188 1.00 0.00 N ATOM 559 CA ASN A 35 -12.242 5.629 -5.783 1.00 0.00 C ATOM 560 C ASN A 35 -12.092 7.078 -6.235 1.00 0.00 C ATOM 561 O ASN A 35 -11.664 7.938 -5.465 1.00 0.00 O ATOM 562 CB ASN A 35 -13.394 5.511 -4.782 1.00 0.00 C ATOM 563 CG ASN A 35 -14.731 5.880 -5.395 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.499 6.650 -4.818 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.016 5.331 -6.570 1.00 0.00 N ATOM 0 H ASN A 35 -10.546 5.800 -4.562 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.464 5.017 -6.657 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.440 4.490 -4.404 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.198 6.159 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.901 5.542 -7.030 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.350 4.698 -7.012 1.00 0.00 H new ATOM 572 N SER A 36 -12.447 7.341 -7.488 1.00 0.00 N ATOM 573 CA SER A 36 -12.349 8.686 -8.044 1.00 0.00 C ATOM 574 C SER A 36 -13.686 9.129 -8.631 1.00 0.00 C ATOM 575 O SER A 36 -13.752 10.085 -9.405 1.00 0.00 O ATOM 576 CB SER A 36 -11.264 8.737 -9.122 1.00 0.00 C ATOM 577 OG SER A 36 -11.779 8.345 -10.383 1.00 0.00 O ATOM 0 H SER A 36 -12.805 6.641 -8.138 1.00 0.00 H new ATOM 0 HA SER A 36 -12.082 9.368 -7.237 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.860 9.747 -9.189 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.439 8.082 -8.843 1.00 0.00 H new ATOM 0 HG SER A 36 -11.067 8.388 -11.055 1.00 0.00 H new ATOM 583 N THR A 37 -14.752 8.429 -8.256 1.00 0.00 N ATOM 584 CA THR A 37 -16.087 8.748 -8.745 1.00 0.00 C ATOM 585 C THR A 37 -16.459 10.191 -8.423 1.00 0.00 C ATOM 586 O THR A 37 -17.202 10.830 -9.167 1.00 0.00 O ATOM 587 CB THR A 37 -17.147 7.809 -8.138 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.410 8.015 -8.781 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.289 8.048 -6.643 1.00 0.00 C ATOM 0 H THR A 37 -14.716 7.637 -7.615 1.00 0.00 H new ATOM 0 HA THR A 37 -16.069 8.612 -9.826 1.00 0.00 H new ATOM 0 HB THR A 37 -16.822 6.781 -8.296 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.078 7.413 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 37 -18.043 7.374 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.334 7.862 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.593 9.080 -6.467 1.00 0.00 H new ATOM 597 N ASN A 38 -15.938 10.698 -7.311 1.00 0.00 N ATOM 598 CA ASN A 38 -16.216 12.067 -6.891 1.00 0.00 C ATOM 599 C ASN A 38 -15.181 13.032 -7.462 1.00 0.00 C ATOM 600 O ASN A 38 -14.211 12.616 -8.096 1.00 0.00 O ATOM 601 CB ASN A 38 -16.231 12.161 -5.364 1.00 0.00 C ATOM 602 CG ASN A 38 -17.628 12.362 -4.811 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.371 11.402 -4.607 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.992 13.615 -4.564 1.00 0.00 N ATOM 0 H ASN A 38 -15.321 10.182 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.197 12.346 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.804 11.251 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.595 12.988 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.920 13.812 -4.190 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.343 14.380 -4.748 1.00 0.00 H new ATOM 611 N LYS A 39 -15.393 14.323 -7.231 1.00 0.00 N ATOM 612 CA LYS A 39 -14.479 15.348 -7.720 1.00 0.00 C ATOM 613 C LYS A 39 -13.850 16.113 -6.560 1.00 0.00 C ATOM 614 O LYS A 39 -12.708 16.563 -6.647 1.00 0.00 O ATOM 615 CB LYS A 39 -15.216 16.319 -8.645 1.00 0.00 C ATOM 616 CG LYS A 39 -16.402 17.004 -7.988 1.00 0.00 C ATOM 617 CD LYS A 39 -17.370 17.557 -9.020 1.00 0.00 C ATOM 618 CE LYS A 39 -18.719 17.885 -8.400 1.00 0.00 C ATOM 619 NZ LYS A 39 -19.763 18.120 -9.436 1.00 0.00 N ATOM 0 H LYS A 39 -16.190 14.684 -6.708 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.685 14.854 -8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.516 17.078 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.562 15.777 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.922 16.295 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.048 17.814 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.948 18.455 -9.472 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.504 16.830 -9.821 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.029 17.066 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.624 18.771 -7.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.668 18.341 -8.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -19.479 18.918 -10.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -19.872 17.266 -10.019 1.00 0.00 H new ATOM 633 N ASP A 40 -14.602 16.256 -5.474 1.00 0.00 N ATOM 634 CA ASP A 40 -14.117 16.964 -4.295 1.00 0.00 C ATOM 635 C ASP A 40 -13.388 16.013 -3.351 1.00 0.00 C ATOM 636 O ASP A 40 -12.233 16.244 -2.993 1.00 0.00 O ATOM 637 CB ASP A 40 -15.280 17.637 -3.564 1.00 0.00 C ATOM 638 CG ASP A 40 -16.114 18.509 -4.481 1.00 0.00 C ATOM 639 OD1 ASP A 40 -17.010 17.966 -5.163 1.00 0.00 O ATOM 640 OD2 ASP A 40 -15.873 19.733 -4.518 1.00 0.00 O ATOM 0 H ASP A 40 -15.550 15.891 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.414 17.729 -4.625 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.916 16.872 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.889 18.244 -2.747 1.00 0.00 H new ATOM 645 N TRP A 41 -14.070 14.946 -2.952 1.00 0.00 N ATOM 646 CA TRP A 41 -13.488 13.960 -2.049 1.00 0.00 C ATOM 647 C TRP A 41 -13.007 12.734 -2.817 1.00 0.00 C ATOM 648 O TRP A 41 -13.777 12.103 -3.541 1.00 0.00 O ATOM 649 CB TRP A 41 -14.508 13.545 -0.988 1.00 0.00 C ATOM 650 CG TRP A 41 -14.799 14.624 0.011 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.945 15.360 0.112 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.929 15.089 1.048 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.840 16.255 1.149 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.613 16.108 1.740 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.640 14.743 1.461 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.048 16.782 2.820 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.081 15.413 2.533 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.785 16.423 3.203 1.00 0.00 C ATOM 0 H TRP A 41 -15.027 14.741 -3.240 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.629 14.417 -1.558 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.436 13.256 -1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.138 12.664 -0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.807 15.254 -0.529 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.559 16.921 1.433 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.090 13.966 0.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.588 17.561 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.085 15.154 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.321 16.927 4.038 1.00 0.00 H new ATOM 669 N TRP A 42 -11.732 12.403 -2.655 1.00 0.00 N ATOM 670 CA TRP A 42 -11.149 11.251 -3.334 1.00 0.00 C ATOM 671 C TRP A 42 -10.709 10.192 -2.330 1.00 0.00 C ATOM 672 O TRP A 42 -10.086 10.504 -1.315 1.00 0.00 O ATOM 673 CB TRP A 42 -9.959 11.686 -4.190 1.00 0.00 C ATOM 674 CG TRP A 42 -10.343 12.091 -5.581 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.605 12.328 -6.046 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.459 12.303 -6.687 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.559 12.676 -7.375 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.254 12.668 -7.791 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.074 12.222 -6.852 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.708 12.950 -9.041 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.533 12.501 -8.093 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.349 12.862 -9.174 1.00 0.00 C ATOM 0 H TRP A 42 -11.081 12.915 -2.060 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.912 10.817 -3.980 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.456 12.521 -3.702 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.241 10.868 -4.243 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.507 12.253 -5.456 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.365 12.903 -7.957 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.437 11.946 -6.024 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.335 13.228 -9.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.464 12.440 -8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.896 13.075 -10.131 1.00 0.00 H new ATOM 693 N LYS A 43 -11.036 8.936 -2.618 1.00 0.00 N ATOM 694 CA LYS A 43 -10.673 7.830 -1.741 1.00 0.00 C ATOM 695 C LYS A 43 -9.360 7.193 -2.183 1.00 0.00 C ATOM 696 O LYS A 43 -9.261 6.650 -3.284 1.00 0.00 O ATOM 697 CB LYS A 43 -11.784 6.777 -1.728 1.00 0.00 C ATOM 698 CG LYS A 43 -13.181 7.367 -1.646 1.00 0.00 C ATOM 699 CD LYS A 43 -14.232 6.288 -1.448 1.00 0.00 C ATOM 700 CE LYS A 43 -14.062 5.583 -0.111 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.364 5.107 0.434 1.00 0.00 N ATOM 0 H LYS A 43 -11.552 8.659 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.543 8.226 -0.734 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.708 6.170 -2.630 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.630 6.109 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.229 8.078 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.396 7.923 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.226 6.732 -1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.164 5.560 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.387 4.736 -0.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.597 6.264 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.205 4.273 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.801 5.863 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.996 4.852 -0.351 1.00 0.00 H new ATOM 715 N VAL A 44 -8.353 7.262 -1.318 1.00 0.00 N ATOM 716 CA VAL A 44 -7.046 6.690 -1.619 1.00 0.00 C ATOM 717 C VAL A 44 -6.585 5.756 -0.505 1.00 0.00 C ATOM 718 O VAL A 44 -7.003 5.893 0.644 1.00 0.00 O ATOM 719 CB VAL A 44 -5.986 7.788 -1.824 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.049 8.332 -3.244 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.173 8.905 -0.809 1.00 0.00 C ATOM 0 H VAL A 44 -8.417 7.708 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.154 6.123 -2.544 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.000 7.350 -1.671 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.293 9.107 -3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.863 7.524 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.037 8.755 -3.428 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.415 9.672 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.164 9.343 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.074 8.501 0.199 1.00 0.00 H new ATOM 731 N GLU A 45 -5.721 4.808 -0.854 1.00 0.00 N ATOM 732 CA GLU A 45 -5.204 3.852 0.117 1.00 0.00 C ATOM 733 C GLU A 45 -3.780 4.213 0.531 1.00 0.00 C ATOM 734 O GLU A 45 -2.952 4.576 -0.305 1.00 0.00 O ATOM 735 CB GLU A 45 -5.235 2.436 -0.461 1.00 0.00 C ATOM 736 CG GLU A 45 -5.526 1.362 0.573 1.00 0.00 C ATOM 737 CD GLU A 45 -5.824 0.013 -0.053 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.869 -0.661 -0.494 1.00 0.00 O ATOM 739 OE2 GLU A 45 -7.012 -0.367 -0.103 1.00 0.00 O ATOM 0 H GLU A 45 -5.365 4.682 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.842 3.890 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.992 2.389 -1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.275 2.224 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.671 1.267 1.242 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.375 1.671 1.183 1.00 0.00 H new ATOM 746 N VAL A 46 -3.502 4.110 1.827 1.00 0.00 N ATOM 747 CA VAL A 46 -2.179 4.425 2.352 1.00 0.00 C ATOM 748 C VAL A 46 -1.565 3.217 3.052 1.00 0.00 C ATOM 749 O VAL A 46 -2.173 2.149 3.120 1.00 0.00 O ATOM 750 CB VAL A 46 -2.234 5.604 3.342 1.00 0.00 C ATOM 751 CG1 VAL A 46 -2.879 6.818 2.690 1.00 0.00 C ATOM 752 CG2 VAL A 46 -2.983 5.206 4.604 1.00 0.00 C ATOM 0 H VAL A 46 -4.175 3.811 2.532 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.558 4.704 1.501 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.214 5.869 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.909 7.641 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.296 7.115 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.894 6.569 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.012 6.051 5.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.001 4.913 4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.474 4.368 5.080 1.00 0.00 H new ATOM 762 N LYS A 47 -0.354 3.394 3.571 1.00 0.00 N ATOM 763 CA LYS A 47 0.344 2.320 4.267 1.00 0.00 C ATOM 764 C LYS A 47 0.748 2.756 5.672 1.00 0.00 C ATOM 765 O LYS A 47 1.584 3.644 5.840 1.00 0.00 O ATOM 766 CB LYS A 47 1.584 1.894 3.478 1.00 0.00 C ATOM 767 CG LYS A 47 2.138 0.544 3.898 1.00 0.00 C ATOM 768 CD LYS A 47 3.119 0.001 2.873 1.00 0.00 C ATOM 769 CE LYS A 47 2.410 -0.804 1.795 1.00 0.00 C ATOM 770 NZ LYS A 47 2.033 0.041 0.628 1.00 0.00 N ATOM 0 H LYS A 47 0.164 4.271 3.522 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.336 1.472 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.336 1.861 2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.360 2.650 3.601 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.634 0.638 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.318 -0.162 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.662 0.827 2.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.857 -0.627 3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.058 -1.615 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.515 -1.263 2.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.020 -0.542 -0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.089 0.448 0.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.726 0.808 0.516 1.00 0.00 H new ATOM 784 N ILE A 48 0.150 2.125 6.677 1.00 0.00 N ATOM 785 CA ILE A 48 0.451 2.446 8.067 1.00 0.00 C ATOM 786 C ILE A 48 1.183 1.296 8.751 1.00 0.00 C ATOM 787 O ILE A 48 0.666 0.182 8.842 1.00 0.00 O ATOM 788 CB ILE A 48 -0.830 2.768 8.860 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.689 3.778 8.095 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.478 3.302 10.240 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.839 3.146 7.343 1.00 0.00 C ATOM 0 H ILE A 48 -0.545 1.389 6.555 1.00 0.00 H new ATOM 0 HA ILE A 48 1.093 3.327 8.056 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.404 1.850 8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.084 4.512 8.797 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.058 4.319 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.393 3.525 10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.098 2.553 10.784 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.114 4.211 10.138 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.404 3.921 6.825 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.450 2.433 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.493 2.629 8.045 1.00 0.00 H new ATOM 803 N THR A 49 2.390 1.574 9.234 1.00 0.00 N ATOM 804 CA THR A 49 3.194 0.565 9.911 1.00 0.00 C ATOM 805 C THR A 49 3.044 0.667 11.424 1.00 0.00 C ATOM 806 O THR A 49 3.534 1.611 12.044 1.00 0.00 O ATOM 807 CB THR A 49 4.684 0.694 9.544 1.00 0.00 C ATOM 808 OG1 THR A 49 4.858 0.528 8.132 1.00 0.00 O ATOM 809 CG2 THR A 49 5.516 -0.340 10.287 1.00 0.00 C ATOM 0 H THR A 49 2.832 2.491 9.169 1.00 0.00 H new ATOM 0 HA THR A 49 2.829 -0.406 9.577 1.00 0.00 H new ATOM 0 HB THR A 49 5.022 1.688 9.837 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.808 0.613 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.565 -0.229 10.012 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.405 -0.192 11.361 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.175 -1.341 10.021 1.00 0.00 H new ATOM 817 N VAL A 50 2.365 -0.312 12.014 1.00 0.00 N ATOM 818 CA VAL A 50 2.152 -0.333 13.456 1.00 0.00 C ATOM 819 C VAL A 50 2.686 -1.622 14.072 1.00 0.00 C ATOM 820 O VAL A 50 2.362 -2.718 13.619 1.00 0.00 O ATOM 821 CB VAL A 50 0.659 -0.191 13.806 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.457 -0.227 15.313 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.093 1.092 13.215 1.00 0.00 C ATOM 0 H VAL A 50 1.953 -1.101 11.515 1.00 0.00 H new ATOM 0 HA VAL A 50 2.696 0.517 13.868 1.00 0.00 H new ATOM 0 HB VAL A 50 0.121 -1.033 13.371 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.604 -0.125 15.540 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.823 -1.175 15.707 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.007 0.594 15.774 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.963 1.176 13.472 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.634 1.948 13.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.202 1.072 12.131 1.00 0.00 H new ATOM 833 N ASN A 51 3.506 -1.480 15.108 1.00 0.00 N ATOM 834 CA ASN A 51 4.086 -2.634 15.786 1.00 0.00 C ATOM 835 C ASN A 51 4.818 -3.536 14.797 1.00 0.00 C ATOM 836 O ASN A 51 4.790 -4.759 14.918 1.00 0.00 O ATOM 837 CB ASN A 51 2.996 -3.428 16.508 1.00 0.00 C ATOM 838 CG ASN A 51 3.557 -4.320 17.600 1.00 0.00 C ATOM 839 OD1 ASN A 51 4.759 -4.313 17.865 1.00 0.00 O ATOM 840 ND2 ASN A 51 2.686 -5.092 18.238 1.00 0.00 N ATOM 0 H ASN A 51 3.784 -0.579 15.496 1.00 0.00 H new ATOM 0 HA ASN A 51 4.806 -2.269 16.518 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.274 -2.737 16.943 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.456 -4.039 15.785 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.004 -5.713 18.982 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.698 -5.064 17.984 1.00 0.00 H new ATOM 847 N GLY A 52 5.474 -2.921 13.817 1.00 0.00 N ATOM 848 CA GLY A 52 6.204 -3.683 12.821 1.00 0.00 C ATOM 849 C GLY A 52 5.286 -4.435 11.879 1.00 0.00 C ATOM 850 O GLY A 52 5.707 -5.381 11.212 1.00 0.00 O ATOM 0 H GLY A 52 5.513 -1.909 13.695 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.838 -3.009 12.245 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.864 -4.391 13.322 1.00 0.00 H new ATOM 854 N LYS A 53 4.026 -4.016 11.822 1.00 0.00 N ATOM 855 CA LYS A 53 3.044 -4.657 10.955 1.00 0.00 C ATOM 856 C LYS A 53 2.467 -3.658 9.957 1.00 0.00 C ATOM 857 O LYS A 53 1.851 -2.664 10.342 1.00 0.00 O ATOM 858 CB LYS A 53 1.917 -5.268 11.791 1.00 0.00 C ATOM 859 CG LYS A 53 2.360 -6.447 12.640 1.00 0.00 C ATOM 860 CD LYS A 53 1.204 -7.022 13.441 1.00 0.00 C ATOM 861 CE LYS A 53 1.698 -7.907 14.575 1.00 0.00 C ATOM 862 NZ LYS A 53 1.966 -9.298 14.117 1.00 0.00 N ATOM 0 H LYS A 53 3.661 -3.235 12.366 1.00 0.00 H new ATOM 0 HA LYS A 53 3.547 -5.449 10.401 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.500 -4.499 12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.116 -5.591 11.126 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.780 -7.221 11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.152 -6.131 13.318 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.602 -6.209 13.848 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.556 -7.600 12.783 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.609 -7.482 14.997 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.955 -7.924 15.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.301 -9.869 14.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.091 -9.713 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.694 -9.285 13.374 1.00 0.00 H new ATOM 876 N THR A 54 2.670 -3.930 8.671 1.00 0.00 N ATOM 877 CA THR A 54 2.170 -3.056 7.617 1.00 0.00 C ATOM 878 C THR A 54 0.667 -3.229 7.427 1.00 0.00 C ATOM 879 O THR A 54 0.187 -4.334 7.173 1.00 0.00 O ATOM 880 CB THR A 54 2.880 -3.328 6.278 1.00 0.00 C ATOM 881 OG1 THR A 54 3.462 -4.636 6.288 1.00 0.00 O ATOM 882 CG2 THR A 54 3.960 -2.289 6.017 1.00 0.00 C ATOM 0 H THR A 54 3.177 -4.749 8.335 1.00 0.00 H new ATOM 0 HA THR A 54 2.379 -2.033 7.929 1.00 0.00 H new ATOM 0 HB THR A 54 2.139 -3.267 5.481 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.910 -4.801 5.432 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.447 -2.502 5.066 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.509 -1.297 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.698 -2.322 6.818 1.00 0.00 H new ATOM 890 N TYR A 55 -0.070 -2.131 7.550 1.00 0.00 N ATOM 891 CA TYR A 55 -1.519 -2.162 7.393 1.00 0.00 C ATOM 892 C TYR A 55 -1.957 -1.313 6.204 1.00 0.00 C ATOM 893 O TYR A 55 -1.331 -0.302 5.885 1.00 0.00 O ATOM 894 CB TYR A 55 -2.202 -1.664 8.668 1.00 0.00 C ATOM 895 CG TYR A 55 -2.000 -2.574 9.858 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.772 -3.718 10.022 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.037 -2.291 10.819 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.591 -4.552 11.109 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.848 -3.120 11.908 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.628 -4.249 12.048 1.00 0.00 C ATOM 901 OH TYR A 55 -1.444 -5.078 13.131 1.00 0.00 O ATOM 0 H TYR A 55 0.312 -1.208 7.758 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.816 -3.194 7.208 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.821 -0.672 8.911 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.270 -1.557 8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.526 -3.959 9.288 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.425 -1.407 10.713 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.201 -5.436 11.222 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.094 -2.886 12.645 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.674 -5.998 12.882 1.00 0.00 H new ATOM 911 N GLU A 56 -3.037 -1.731 5.551 1.00 0.00 N ATOM 912 CA GLU A 56 -3.559 -1.009 4.397 1.00 0.00 C ATOM 913 C GLU A 56 -5.002 -0.574 4.634 1.00 0.00 C ATOM 914 O GLU A 56 -5.835 -1.365 5.077 1.00 0.00 O ATOM 915 CB GLU A 56 -3.477 -1.882 3.142 1.00 0.00 C ATOM 916 CG GLU A 56 -2.086 -1.944 2.534 1.00 0.00 C ATOM 917 CD GLU A 56 -1.929 -3.090 1.553 1.00 0.00 C ATOM 918 OE1 GLU A 56 -2.901 -3.384 0.825 1.00 0.00 O ATOM 919 OE2 GLU A 56 -0.836 -3.692 1.513 1.00 0.00 O ATOM 0 H GLU A 56 -3.567 -2.566 5.802 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.949 -0.118 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.801 -2.893 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.174 -1.498 2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.874 -1.004 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.350 -2.049 3.331 1.00 0.00 H new ATOM 926 N ARG A 57 -5.290 0.689 4.336 1.00 0.00 N ATOM 927 CA ARG A 57 -6.631 1.230 4.518 1.00 0.00 C ATOM 928 C ARG A 57 -6.888 2.383 3.552 1.00 0.00 C ATOM 929 O ARG A 57 -5.959 3.076 3.138 1.00 0.00 O ATOM 930 CB ARG A 57 -6.820 1.707 5.959 1.00 0.00 C ATOM 931 CG ARG A 57 -5.936 2.886 6.331 1.00 0.00 C ATOM 932 CD ARG A 57 -6.743 4.169 6.459 1.00 0.00 C ATOM 933 NE ARG A 57 -7.717 4.098 7.545 1.00 0.00 N ATOM 934 CZ ARG A 57 -7.386 4.117 8.831 1.00 0.00 C ATOM 935 NH1 ARG A 57 -6.112 4.206 9.190 1.00 0.00 N ATOM 936 NH2 ARG A 57 -8.329 4.048 9.762 1.00 0.00 N ATOM 0 H ARG A 57 -4.612 1.356 3.968 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.347 0.436 4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.863 1.985 6.107 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.612 0.879 6.637 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.428 2.679 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.163 3.015 5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.067 5.006 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.261 4.367 5.520 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.705 4.030 7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.384 4.260 8.478 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.860 4.220 10.178 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.310 3.980 9.490 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.073 4.063 10.749 1.00 0.00 H new ATOM 950 N GLN A 58 -8.153 2.579 3.196 1.00 0.00 N ATOM 951 CA GLN A 58 -8.531 3.647 2.278 1.00 0.00 C ATOM 952 C GLN A 58 -9.249 4.771 3.016 1.00 0.00 C ATOM 953 O GLN A 58 -10.094 4.523 3.875 1.00 0.00 O ATOM 954 CB GLN A 58 -9.426 3.098 1.165 1.00 0.00 C ATOM 955 CG GLN A 58 -10.851 2.816 1.614 1.00 0.00 C ATOM 956 CD GLN A 58 -11.734 2.329 0.482 1.00 0.00 C ATOM 957 OE1 GLN A 58 -11.696 3.033 -0.643 1.00 0.00 O flip ATOM 958 NE2 GLN A 58 -12.443 1.332 0.618 1.00 0.00 N flip ATOM 0 H GLN A 58 -8.933 2.013 3.529 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.620 4.051 1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.448 3.812 0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.987 2.179 0.777 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.837 2.068 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -11.280 3.723 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -12.441 0.821 1.501 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -13.033 1.017 -0.152 1.00 0.00 H new ATOM 967 N GLY A 59 -8.907 6.010 2.675 1.00 0.00 N ATOM 968 CA GLY A 59 -9.528 7.154 3.316 1.00 0.00 C ATOM 969 C GLY A 59 -9.857 8.261 2.334 1.00 0.00 C ATOM 970 O GLY A 59 -9.327 8.293 1.223 1.00 0.00 O ATOM 0 H GLY A 59 -8.211 6.242 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.441 6.834 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.861 7.542 4.086 1.00 0.00 H new ATOM 974 N PHE A 60 -10.735 9.171 2.742 1.00 0.00 N ATOM 975 CA PHE A 60 -11.136 10.283 1.889 1.00 0.00 C ATOM 976 C PHE A 60 -10.175 11.459 2.041 1.00 0.00 C ATOM 977 O PHE A 60 -9.664 11.721 3.130 1.00 0.00 O ATOM 978 CB PHE A 60 -12.560 10.727 2.229 1.00 0.00 C ATOM 979 CG PHE A 60 -13.541 9.591 2.301 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.676 8.848 3.462 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.327 9.268 1.207 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.577 7.802 3.530 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.230 8.223 1.270 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.356 7.490 2.433 1.00 0.00 C ATOM 0 H PHE A 60 -11.183 9.160 3.659 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.106 9.943 0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.551 11.250 3.186 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.898 11.442 1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.071 9.089 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.233 9.839 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.672 7.229 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.836 7.980 0.410 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.062 6.674 2.485 1.00 0.00 H new ATOM 994 N VAL A 61 -9.934 12.165 0.940 1.00 0.00 N ATOM 995 CA VAL A 61 -9.036 13.313 0.949 1.00 0.00 C ATOM 996 C VAL A 61 -9.429 14.327 -0.119 1.00 0.00 C ATOM 997 O VAL A 61 -10.069 13.997 -1.118 1.00 0.00 O ATOM 998 CB VAL A 61 -7.574 12.884 0.721 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.987 12.291 1.993 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.484 11.893 -0.429 1.00 0.00 C ATOM 0 H VAL A 61 -10.349 11.961 0.031 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.122 13.774 1.933 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.991 13.767 0.457 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.954 11.994 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.017 13.035 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.569 11.419 2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.444 11.600 -0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.080 11.010 -0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.863 12.357 -1.340 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.037 15.592 0.093 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.336 16.681 -0.842 1.00 0.00 C ATOM 1012 C PRO A 62 -8.558 16.555 -2.147 1.00 0.00 C ATOM 1013 O PRO A 62 -7.338 16.718 -2.171 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.901 17.934 -0.078 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.865 17.453 0.879 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.271 16.057 1.261 1.00 0.00 C ATOM 0 HA PRO A 62 -10.385 16.688 -1.137 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.497 18.689 -0.753 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.741 18.391 0.445 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.876 17.460 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.814 18.098 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.404 15.424 1.451 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.876 16.049 2.168 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.271 16.264 -3.230 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.646 16.119 -4.539 1.00 0.00 C ATOM 1026 C ALA A 63 -7.970 17.415 -4.972 1.00 0.00 C ATOM 1027 O ALA A 63 -6.989 17.397 -5.714 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.679 15.690 -5.572 1.00 0.00 C ATOM 0 H ALA A 63 -10.281 16.124 -3.227 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.879 15.348 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.199 15.585 -6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.113 14.735 -5.277 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.465 16.442 -5.634 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.501 18.540 -4.503 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.948 19.845 -4.841 1.00 0.00 C ATOM 1036 C ALA A 64 -6.540 20.007 -4.278 1.00 0.00 C ATOM 1037 O ALA A 64 -5.802 20.909 -4.675 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.855 20.953 -4.324 1.00 0.00 C ATOM 0 H ALA A 64 -9.314 18.573 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.888 19.916 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.430 21.922 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.842 20.857 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.944 20.874 -3.240 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.174 19.128 -3.351 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.855 19.175 -2.732 1.00 0.00 C ATOM 1046 C TYR A 65 -3.931 18.122 -3.336 1.00 0.00 C ATOM 1047 O TYR A 65 -2.746 18.057 -3.008 1.00 0.00 O ATOM 1048 CB TYR A 65 -4.970 18.963 -1.221 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.235 20.236 -0.449 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.158 21.169 -0.906 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.563 20.506 0.736 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -6.403 22.333 -0.204 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -4.802 21.667 1.445 1.00 0.00 C ATOM 1054 CZ TYR A 65 -5.723 22.578 0.970 1.00 0.00 C ATOM 1055 OH TYR A 65 -5.964 23.736 1.673 1.00 0.00 O ATOM 0 H TYR A 65 -6.772 18.375 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.427 20.159 -2.923 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.773 18.254 -1.022 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.048 18.511 -0.855 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -6.693 20.981 -1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.841 19.795 1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.124 23.048 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.271 21.861 2.365 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.404 23.753 2.477 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.483 17.298 -4.221 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.710 16.248 -4.874 1.00 0.00 C ATOM 1067 C VAL A 66 -3.966 16.230 -6.376 1.00 0.00 C ATOM 1068 O VAL A 66 -4.705 17.063 -6.902 1.00 0.00 O ATOM 1069 CB VAL A 66 -4.042 14.862 -4.291 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.840 14.854 -2.783 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.466 14.461 -4.648 1.00 0.00 C ATOM 0 H VAL A 66 -5.463 17.337 -4.502 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.658 16.469 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.362 14.131 -4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.080 13.866 -2.389 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.802 15.094 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.494 15.596 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.684 13.479 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.163 15.193 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.573 14.424 -5.732 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.352 15.274 -7.064 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.514 15.145 -8.508 1.00 0.00 C ATOM 1083 C LYS A 67 -3.087 13.759 -8.981 1.00 0.00 C ATOM 1084 O LYS A 67 -2.462 13.002 -8.237 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.695 16.216 -9.232 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.198 16.090 -9.012 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.416 16.512 -10.245 1.00 0.00 C ATOM 1088 CE LYS A 67 -0.668 17.971 -10.591 1.00 0.00 C ATOM 1089 NZ LYS A 67 0.530 18.610 -11.204 1.00 0.00 N ATOM 0 H LYS A 67 -2.737 14.576 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.569 15.282 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.903 16.159 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.021 17.200 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.901 16.706 -8.163 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.952 15.059 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.649 16.356 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.698 15.883 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.510 18.041 -11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.949 18.515 -9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.318 19.604 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.327 18.566 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.783 18.107 -12.078 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.428 13.432 -10.223 1.00 0.00 N ATOM 1104 CA LYS A 68 -3.079 12.138 -10.797 1.00 0.00 C ATOM 1105 C LYS A 68 -1.569 12.009 -10.971 1.00 0.00 C ATOM 1106 O LYS A 68 -0.909 12.929 -11.456 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.776 11.951 -12.147 1.00 0.00 C ATOM 1108 CG LYS A 68 -5.089 11.193 -12.054 1.00 0.00 C ATOM 1109 CD LYS A 68 -6.014 11.536 -13.209 1.00 0.00 C ATOM 1110 CE LYS A 68 -5.576 10.852 -14.496 1.00 0.00 C ATOM 1111 NZ LYS A 68 -6.582 11.017 -15.581 1.00 0.00 N ATOM 0 H LYS A 68 -3.946 14.046 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.416 11.362 -10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.962 12.930 -12.589 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.106 11.418 -12.822 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.892 10.121 -12.051 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.581 11.430 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.032 11.234 -12.963 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.029 12.616 -13.356 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.621 11.265 -14.820 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.416 9.790 -14.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.247 10.537 -16.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.487 10.600 -15.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.716 12.029 -15.779 1.00 0.00 H new