USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 622 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 13 GLN : amide:sc= -1.6 K(o=-3.1,f=-11!) USER MOD Set 1.2: A 14 GLN : amide:sc= -1.47 K(o=-3.1,f=-8!) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -129:sc= -4.6! USER MOD Single : A 19 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.3) USER MOD Single : A 24 LYS NZ :NH3+ 146:sc= -2.59! (180deg=-4.55!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 35 THR OG1 : rot 65:sc= 1.14 USER MOD Single : A 37 LYS NZ :NH3+ 148:sc= -0.451 (180deg=-1.84!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc=-0.00381 X(o=-0.0038,f=-0.039) USER MOD Single : A 81 LYS NZ :NH3+ 144:sc= -1.15 (180deg=-3!) USER MOD Single : A 86 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.47) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 -3.951 11.714 5.335 1.00 0.00 N ATOM 19 CA ARG A 2 -5.000 10.797 5.880 1.00 0.00 C ATOM 20 C ARG A 2 -4.448 9.369 5.921 1.00 0.00 C ATOM 21 O ARG A 2 -3.527 9.033 5.200 1.00 0.00 O ATOM 22 CB ARG A 2 -6.261 10.827 4.995 1.00 0.00 C ATOM 23 CG ARG A 2 -6.511 12.241 4.449 1.00 0.00 C ATOM 24 CD ARG A 2 -6.809 13.197 5.607 1.00 0.00 C ATOM 25 NE ARG A 2 -8.286 13.393 5.729 1.00 0.00 N ATOM 26 CZ ARG A 2 -8.797 14.256 6.586 1.00 0.00 C ATOM 27 NH1 ARG A 2 -8.032 14.984 7.367 1.00 0.00 N ATOM 28 NH2 ARG A 2 -10.092 14.390 6.658 1.00 0.00 N ATOM 0 HA ARG A 2 -5.268 11.127 6.884 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.146 10.128 4.167 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.124 10.498 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.638 12.587 3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -7.348 12.229 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.408 12.794 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.318 14.155 5.436 1.00 0.00 H new ATOM 0 HE ARG A 2 -8.912 12.848 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.018 14.889 7.319 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.452 15.644 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.697 13.831 6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.500 15.054 7.316 1.00 0.00 H new ATOM 42 N LEU A 3 -5.005 8.531 6.757 1.00 0.00 N ATOM 43 CA LEU A 3 -4.517 7.124 6.851 1.00 0.00 C ATOM 44 C LEU A 3 -5.513 6.188 6.160 1.00 0.00 C ATOM 45 O LEU A 3 -6.388 5.624 6.792 1.00 0.00 O ATOM 46 CB LEU A 3 -4.384 6.727 8.324 1.00 0.00 C ATOM 47 CG LEU A 3 -3.326 7.605 8.996 1.00 0.00 C ATOM 48 CD1 LEU A 3 -3.999 8.825 9.624 1.00 0.00 C ATOM 49 CD2 LEU A 3 -2.615 6.799 10.085 1.00 0.00 C ATOM 0 H LEU A 3 -5.779 8.762 7.380 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.546 7.045 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.342 6.842 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.105 5.676 8.405 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.600 7.934 8.252 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.245 9.450 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.508 9.399 8.849 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.725 8.497 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.861 7.422 10.565 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.342 6.471 10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.135 5.928 9.638 1.00 0.00 H new ATOM 61 N PHE A 4 -5.379 6.018 4.867 1.00 0.00 N ATOM 62 CA PHE A 4 -6.309 5.117 4.126 1.00 0.00 C ATOM 63 C PHE A 4 -5.834 3.672 4.273 1.00 0.00 C ATOM 64 O PHE A 4 -4.648 3.399 4.268 1.00 0.00 O ATOM 65 CB PHE A 4 -6.325 5.504 2.646 1.00 0.00 C ATOM 66 CG PHE A 4 -7.092 6.792 2.471 1.00 0.00 C ATOM 67 CD1 PHE A 4 -8.490 6.791 2.543 1.00 0.00 C ATOM 68 CD2 PHE A 4 -6.405 7.988 2.235 1.00 0.00 C ATOM 69 CE1 PHE A 4 -9.201 7.988 2.383 1.00 0.00 C ATOM 70 CE2 PHE A 4 -7.114 9.184 2.074 1.00 0.00 C ATOM 71 CZ PHE A 4 -8.512 9.183 2.147 1.00 0.00 C ATOM 0 H PHE A 4 -4.664 6.466 4.294 1.00 0.00 H new ATOM 0 HA PHE A 4 -7.315 5.214 4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -5.305 5.623 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.786 4.711 2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.021 5.868 2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -5.327 7.988 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -10.279 7.988 2.442 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.583 10.107 1.894 1.00 0.00 H new ATOM 0 HZ PHE A 4 -9.059 10.105 2.021 1.00 0.00 H new ATOM 81 N GLY A 5 -6.749 2.745 4.409 1.00 0.00 N ATOM 82 CA GLY A 5 -6.353 1.316 4.562 1.00 0.00 C ATOM 83 C GLY A 5 -7.119 0.450 3.563 1.00 0.00 C ATOM 84 O GLY A 5 -8.324 0.305 3.648 1.00 0.00 O ATOM 0 H GLY A 5 -7.754 2.919 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.280 1.208 4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.558 0.980 5.579 1.00 0.00 H new ATOM 88 N TYR A 6 -6.420 -0.134 2.623 1.00 0.00 N ATOM 89 CA TYR A 6 -7.087 -1.008 1.615 1.00 0.00 C ATOM 90 C TYR A 6 -7.180 -2.424 2.192 1.00 0.00 C ATOM 91 O TYR A 6 -6.255 -2.903 2.820 1.00 0.00 O ATOM 92 CB TYR A 6 -6.258 -1.013 0.325 1.00 0.00 C ATOM 93 CG TYR A 6 -6.922 -1.885 -0.715 1.00 0.00 C ATOM 94 CD1 TYR A 6 -8.218 -1.594 -1.152 1.00 0.00 C ATOM 95 CD2 TYR A 6 -6.238 -2.988 -1.240 1.00 0.00 C ATOM 96 CE1 TYR A 6 -8.831 -2.405 -2.112 1.00 0.00 C ATOM 97 CE2 TYR A 6 -6.851 -3.800 -2.201 1.00 0.00 C ATOM 98 CZ TYR A 6 -8.148 -3.509 -2.636 1.00 0.00 C ATOM 99 OH TYR A 6 -8.753 -4.308 -3.584 1.00 0.00 O ATOM 0 H TYR A 6 -5.410 -0.041 2.511 1.00 0.00 H new ATOM 0 HA TYR A 6 -8.087 -0.639 1.387 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -6.154 0.004 -0.054 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.253 -1.380 0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -8.746 -0.743 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.237 -3.212 -0.903 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -9.832 -2.180 -2.449 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.323 -4.651 -2.606 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.142 -5.029 -3.842 1.00 0.00 H new ATOM 109 N ALA A 7 -8.292 -3.090 1.997 1.00 0.00 N ATOM 110 CA ALA A 7 -8.441 -4.467 2.553 1.00 0.00 C ATOM 111 C ALA A 7 -9.397 -5.292 1.689 1.00 0.00 C ATOM 112 O ALA A 7 -10.594 -5.077 1.700 1.00 0.00 O ATOM 113 CB ALA A 7 -9.001 -4.372 3.974 1.00 0.00 C ATOM 0 H ALA A 7 -9.098 -2.740 1.479 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.466 -4.954 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.113 -5.374 4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.317 -3.796 4.597 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.972 -3.878 3.950 1.00 0.00 H new ATOM 119 N ARG A 8 -8.882 -6.252 0.965 1.00 0.00 N ATOM 120 CA ARG A 8 -9.765 -7.110 0.126 1.00 0.00 C ATOM 121 C ARG A 8 -10.082 -8.385 0.908 1.00 0.00 C ATOM 122 O ARG A 8 -9.255 -8.881 1.651 1.00 0.00 O ATOM 123 CB ARG A 8 -9.056 -7.457 -1.190 1.00 0.00 C ATOM 124 CG ARG A 8 -10.037 -7.296 -2.359 1.00 0.00 C ATOM 125 CD ARG A 8 -9.831 -8.422 -3.371 1.00 0.00 C ATOM 126 NE ARG A 8 -8.383 -8.512 -3.741 1.00 0.00 N ATOM 127 CZ ARG A 8 -7.888 -9.587 -4.322 1.00 0.00 C ATOM 128 NH1 ARG A 8 -8.641 -10.625 -4.606 1.00 0.00 N ATOM 129 NH2 ARG A 8 -6.619 -9.619 -4.625 1.00 0.00 N ATOM 0 H ARG A 8 -7.888 -6.477 0.920 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.689 -6.582 -0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -8.193 -6.806 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.681 -8.480 -1.154 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.062 -7.311 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.886 -6.330 -2.841 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.168 -9.369 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.433 -8.238 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.766 -7.725 -3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.635 -10.612 -4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.232 -11.444 -5.056 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.023 -8.819 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.223 -10.444 -5.075 1.00 0.00 H new ATOM 143 N VAL A 9 -11.274 -8.908 0.766 1.00 0.00 N ATOM 144 CA VAL A 9 -11.641 -10.139 1.526 1.00 0.00 C ATOM 145 C VAL A 9 -11.536 -11.374 0.629 1.00 0.00 C ATOM 146 O VAL A 9 -11.839 -11.331 -0.548 1.00 0.00 O ATOM 147 CB VAL A 9 -13.073 -10.007 2.056 1.00 0.00 C ATOM 148 CG1 VAL A 9 -13.155 -8.819 3.014 1.00 0.00 C ATOM 149 CG2 VAL A 9 -14.037 -9.780 0.890 1.00 0.00 C ATOM 0 H VAL A 9 -12.005 -8.537 0.159 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.950 -10.255 2.361 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.346 -10.923 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.173 -8.725 3.391 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.472 -8.977 3.849 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.878 -7.906 2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.054 -9.687 1.271 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.762 -8.866 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -13.983 -10.625 0.204 1.00 0.00 H new ATOM 159 N SER A 10 -11.113 -12.474 1.193 1.00 0.00 N ATOM 160 CA SER A 10 -10.984 -13.732 0.403 1.00 0.00 C ATOM 161 C SER A 10 -11.944 -14.783 0.971 1.00 0.00 C ATOM 162 O SER A 10 -12.526 -15.561 0.238 1.00 0.00 O ATOM 163 CB SER A 10 -9.549 -14.248 0.496 1.00 0.00 C ATOM 164 OG SER A 10 -9.236 -14.980 -0.681 1.00 0.00 O ATOM 0 H SER A 10 -10.849 -12.555 2.175 1.00 0.00 H new ATOM 0 HA SER A 10 -11.230 -13.537 -0.641 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.857 -13.414 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.435 -14.883 1.374 1.00 0.00 H new ATOM 0 HG SER A 10 -8.315 -15.311 -0.625 1.00 0.00 H new ATOM 170 N THR A 11 -12.114 -14.806 2.270 1.00 0.00 N ATOM 171 CA THR A 11 -13.036 -15.800 2.892 1.00 0.00 C ATOM 172 C THR A 11 -14.459 -15.236 2.918 1.00 0.00 C ATOM 173 O THR A 11 -14.693 -14.108 2.528 1.00 0.00 O ATOM 174 CB THR A 11 -12.579 -16.104 4.326 1.00 0.00 C ATOM 175 OG1 THR A 11 -13.513 -16.979 4.941 1.00 0.00 O ATOM 176 CG2 THR A 11 -12.488 -14.806 5.136 1.00 0.00 C ATOM 0 H THR A 11 -11.652 -14.177 2.926 1.00 0.00 H new ATOM 0 HA THR A 11 -13.021 -16.719 2.306 1.00 0.00 H new ATOM 0 HB THR A 11 -11.596 -16.574 4.296 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.223 -17.176 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.163 -15.033 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.770 -14.134 4.667 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.467 -14.327 5.167 1.00 0.00 H new ATOM 184 N SER A 12 -15.407 -16.016 3.370 1.00 0.00 N ATOM 185 CA SER A 12 -16.821 -15.538 3.421 1.00 0.00 C ATOM 186 C SER A 12 -17.246 -15.293 4.874 1.00 0.00 C ATOM 187 O SER A 12 -18.223 -14.614 5.129 1.00 0.00 O ATOM 188 CB SER A 12 -17.735 -16.594 2.799 1.00 0.00 C ATOM 189 OG SER A 12 -17.911 -16.305 1.417 1.00 0.00 O ATOM 0 H SER A 12 -15.262 -16.968 3.707 1.00 0.00 H new ATOM 0 HA SER A 12 -16.900 -14.604 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.301 -17.586 2.923 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.699 -16.602 3.307 1.00 0.00 H new ATOM 0 HG SER A 12 -18.495 -16.981 1.013 1.00 0.00 H new ATOM 195 N GLN A 13 -16.529 -15.839 5.830 1.00 0.00 N ATOM 196 CA GLN A 13 -16.901 -15.640 7.264 1.00 0.00 C ATOM 197 C GLN A 13 -16.918 -14.144 7.598 1.00 0.00 C ATOM 198 O GLN A 13 -17.951 -13.587 7.922 1.00 0.00 O ATOM 199 CB GLN A 13 -15.877 -16.351 8.156 1.00 0.00 C ATOM 200 CG GLN A 13 -16.588 -16.979 9.358 1.00 0.00 C ATOM 201 CD GLN A 13 -16.510 -16.029 10.554 1.00 0.00 C ATOM 202 OE1 GLN A 13 -15.439 -15.595 10.930 1.00 0.00 O ATOM 203 NE2 GLN A 13 -17.605 -15.684 11.173 1.00 0.00 N ATOM 0 H GLN A 13 -15.701 -16.414 5.676 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.894 -16.055 7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.356 -17.121 7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.123 -15.642 8.497 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -17.630 -17.184 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.126 -17.934 9.608 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.505 -16.047 10.859 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -17.562 -15.051 11.971 1.00 0.00 H new ATOM 212 N GLN A 14 -15.784 -13.494 7.522 1.00 0.00 N ATOM 213 CA GLN A 14 -15.729 -12.035 7.833 1.00 0.00 C ATOM 214 C GLN A 14 -14.309 -11.512 7.586 1.00 0.00 C ATOM 215 O GLN A 14 -13.668 -10.974 8.469 1.00 0.00 O ATOM 216 CB GLN A 14 -16.119 -11.811 9.299 1.00 0.00 C ATOM 217 CG GLN A 14 -15.209 -12.643 10.207 1.00 0.00 C ATOM 218 CD GLN A 14 -15.929 -12.938 11.525 1.00 0.00 C ATOM 219 OE1 GLN A 14 -17.141 -12.902 11.592 1.00 0.00 O ATOM 220 NE2 GLN A 14 -15.227 -13.233 12.586 1.00 0.00 N ATOM 0 H GLN A 14 -14.892 -13.913 7.257 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.425 -11.497 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -16.033 -10.754 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.160 -12.092 9.456 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -14.939 -13.576 9.712 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.281 -12.105 10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -14.209 -13.264 12.532 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.697 -13.433 13.469 1.00 0.00 H new ATOM 229 N SER A 15 -13.817 -11.667 6.382 1.00 0.00 N ATOM 230 CA SER A 15 -12.443 -11.183 6.063 1.00 0.00 C ATOM 231 C SER A 15 -12.396 -9.658 6.192 1.00 0.00 C ATOM 232 O SER A 15 -11.403 -9.093 6.611 1.00 0.00 O ATOM 233 CB SER A 15 -12.081 -11.594 4.633 1.00 0.00 C ATOM 234 OG SER A 15 -11.014 -12.532 4.672 1.00 0.00 O ATOM 0 H SER A 15 -14.310 -12.109 5.606 1.00 0.00 H new ATOM 0 HA SER A 15 -11.728 -11.623 6.758 1.00 0.00 H new ATOM 0 HB2 SER A 15 -12.948 -12.031 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.790 -10.718 4.053 1.00 0.00 H new ATOM 0 HG SER A 15 -10.302 -12.242 4.065 1.00 0.00 H new ATOM 240 N LEU A 16 -13.468 -8.988 5.839 1.00 0.00 N ATOM 241 CA LEU A 16 -13.502 -7.495 5.943 1.00 0.00 C ATOM 242 C LEU A 16 -13.213 -7.088 7.396 1.00 0.00 C ATOM 243 O LEU A 16 -12.466 -6.164 7.652 1.00 0.00 O ATOM 244 CB LEU A 16 -14.889 -6.996 5.498 1.00 0.00 C ATOM 245 CG LEU A 16 -15.065 -5.498 5.813 1.00 0.00 C ATOM 246 CD1 LEU A 16 -15.746 -4.802 4.631 1.00 0.00 C ATOM 247 CD2 LEU A 16 -15.935 -5.339 7.063 1.00 0.00 C ATOM 0 H LEU A 16 -14.324 -9.413 5.482 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.745 -7.047 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.013 -7.163 4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -15.665 -7.571 6.003 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.088 -5.048 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.870 -3.742 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.130 -4.915 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.723 -5.253 4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.060 -4.280 7.287 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.911 -5.790 6.887 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.454 -5.834 7.907 1.00 0.00 H new ATOM 259 N ASP A 17 -13.793 -7.783 8.338 1.00 0.00 N ATOM 260 CA ASP A 17 -13.549 -7.454 9.768 1.00 0.00 C ATOM 261 C ASP A 17 -12.090 -7.760 10.104 1.00 0.00 C ATOM 262 O ASP A 17 -11.340 -6.888 10.490 1.00 0.00 O ATOM 263 CB ASP A 17 -14.467 -8.302 10.651 1.00 0.00 C ATOM 264 CG ASP A 17 -14.593 -7.651 12.029 1.00 0.00 C ATOM 265 OD1 ASP A 17 -14.824 -6.454 12.078 1.00 0.00 O ATOM 266 OD2 ASP A 17 -14.457 -8.360 13.012 1.00 0.00 O ATOM 0 H ASP A 17 -14.426 -8.566 8.176 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.755 -6.399 9.946 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.450 -8.394 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.065 -9.311 10.749 1.00 0.00 H new ATOM 271 N ILE A 18 -11.682 -8.997 9.943 1.00 0.00 N ATOM 272 CA ILE A 18 -10.265 -9.387 10.244 1.00 0.00 C ATOM 273 C ILE A 18 -9.294 -8.472 9.493 1.00 0.00 C ATOM 274 O ILE A 18 -8.290 -8.048 10.034 1.00 0.00 O ATOM 275 CB ILE A 18 -10.031 -10.840 9.805 1.00 0.00 C ATOM 276 CG1 ILE A 18 -11.077 -11.759 10.459 1.00 0.00 C ATOM 277 CG2 ILE A 18 -8.627 -11.285 10.226 1.00 0.00 C ATOM 278 CD1 ILE A 18 -11.601 -12.773 9.431 1.00 0.00 C ATOM 0 H ILE A 18 -12.274 -9.759 9.613 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.092 -9.290 11.316 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.124 -10.904 8.721 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.634 -12.283 11.306 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.903 -11.164 10.849 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.463 -12.316 9.913 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.885 -10.641 9.755 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.533 -11.215 11.310 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.341 -13.420 9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -12.061 -12.242 8.598 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.773 -13.378 9.062 1.00 0.00 H new ATOM 290 N GLN A 19 -9.584 -8.164 8.253 1.00 0.00 N ATOM 291 CA GLN A 19 -8.676 -7.275 7.474 1.00 0.00 C ATOM 292 C GLN A 19 -8.626 -5.904 8.145 1.00 0.00 C ATOM 293 O GLN A 19 -7.564 -5.370 8.397 1.00 0.00 O ATOM 294 CB GLN A 19 -9.199 -7.120 6.046 1.00 0.00 C ATOM 295 CG GLN A 19 -8.719 -8.298 5.190 1.00 0.00 C ATOM 296 CD GLN A 19 -7.458 -7.897 4.422 1.00 0.00 C ATOM 297 OE1 GLN A 19 -7.533 -7.203 3.428 1.00 0.00 O ATOM 298 NE2 GLN A 19 -6.293 -8.306 4.845 1.00 0.00 N ATOM 0 H GLN A 19 -10.409 -8.490 7.750 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.678 -7.712 7.444 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -10.288 -7.080 6.050 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.847 -6.181 5.619 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -8.512 -9.160 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.502 -8.596 4.493 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.229 -8.889 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.446 -8.043 4.341 1.00 0.00 H new ATOM 307 N VAL A 20 -9.774 -5.335 8.451 1.00 0.00 N ATOM 308 CA VAL A 20 -9.811 -3.991 9.120 1.00 0.00 C ATOM 309 C VAL A 20 -8.895 -4.001 10.354 1.00 0.00 C ATOM 310 O VAL A 20 -8.065 -3.129 10.516 1.00 0.00 O ATOM 311 CB VAL A 20 -11.261 -3.669 9.531 1.00 0.00 C ATOM 312 CG1 VAL A 20 -11.322 -2.363 10.341 1.00 0.00 C ATOM 313 CG2 VAL A 20 -12.121 -3.519 8.272 1.00 0.00 C ATOM 0 H VAL A 20 -10.689 -5.746 8.265 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.457 -3.225 8.430 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.636 -4.483 10.151 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -12.355 -2.156 10.620 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.716 -2.465 11.241 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.938 -1.542 9.736 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.148 -3.291 8.558 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.727 -2.710 7.657 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -12.100 -4.449 7.704 1.00 0.00 H new ATOM 323 N ARG A 21 -9.020 -4.991 11.211 1.00 0.00 N ATOM 324 CA ARG A 21 -8.133 -5.051 12.417 1.00 0.00 C ATOM 325 C ARG A 21 -6.679 -5.081 11.950 1.00 0.00 C ATOM 326 O ARG A 21 -5.802 -4.527 12.581 1.00 0.00 O ATOM 327 CB ARG A 21 -8.414 -6.319 13.251 1.00 0.00 C ATOM 328 CG ARG A 21 -9.926 -6.604 13.368 1.00 0.00 C ATOM 329 CD ARG A 21 -10.686 -5.352 13.820 1.00 0.00 C ATOM 330 NE ARG A 21 -10.074 -4.815 15.076 1.00 0.00 N ATOM 331 CZ ARG A 21 -10.588 -3.772 15.699 1.00 0.00 C ATOM 332 NH1 ARG A 21 -11.662 -3.163 15.250 1.00 0.00 N ATOM 333 NH2 ARG A 21 -10.017 -3.337 16.789 1.00 0.00 N ATOM 0 H ARG A 21 -9.693 -5.753 11.127 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.327 -4.177 13.039 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.917 -7.174 12.792 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.988 -6.201 14.247 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.312 -6.941 12.406 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -10.094 -7.413 14.080 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.656 -4.594 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.735 -5.594 13.990 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.242 -5.265 15.458 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.119 -3.495 14.400 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.039 -2.358 15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -9.184 -3.803 17.149 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -10.404 -2.531 17.281 1.00 0.00 H new ATOM 347 N ALA A 22 -6.431 -5.715 10.834 1.00 0.00 N ATOM 348 CA ALA A 22 -5.047 -5.784 10.293 1.00 0.00 C ATOM 349 C ALA A 22 -4.609 -4.383 9.853 1.00 0.00 C ATOM 350 O ALA A 22 -3.518 -3.941 10.166 1.00 0.00 O ATOM 351 CB ALA A 22 -5.027 -6.737 9.096 1.00 0.00 C ATOM 0 H ALA A 22 -7.136 -6.191 10.271 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.362 -6.150 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.016 -6.794 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.346 -7.729 9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.704 -6.368 8.326 1.00 0.00 H new ATOM 357 N LEU A 23 -5.458 -3.679 9.142 1.00 0.00 N ATOM 358 CA LEU A 23 -5.094 -2.298 8.695 1.00 0.00 C ATOM 359 C LEU A 23 -4.999 -1.390 9.924 1.00 0.00 C ATOM 360 O LEU A 23 -4.073 -0.613 10.066 1.00 0.00 O ATOM 361 CB LEU A 23 -6.165 -1.732 7.740 1.00 0.00 C ATOM 362 CG LEU A 23 -6.672 -2.791 6.743 1.00 0.00 C ATOM 363 CD1 LEU A 23 -7.533 -2.102 5.681 1.00 0.00 C ATOM 364 CD2 LEU A 23 -5.500 -3.499 6.051 1.00 0.00 C ATOM 0 H LEU A 23 -6.382 -4.000 8.854 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.140 -2.339 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.004 -1.352 8.322 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.750 -0.887 7.191 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.254 -3.533 7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.897 -2.844 4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.381 -1.613 6.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.935 -1.358 5.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.885 -4.242 5.352 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.901 -2.767 5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.880 -3.992 6.799 1.00 0.00 H new ATOM 376 N LYS A 24 -5.960 -1.484 10.808 1.00 0.00 N ATOM 377 CA LYS A 24 -5.948 -0.631 12.036 1.00 0.00 C ATOM 378 C LYS A 24 -4.716 -0.972 12.874 1.00 0.00 C ATOM 379 O LYS A 24 -4.094 -0.102 13.454 1.00 0.00 O ATOM 380 CB LYS A 24 -7.220 -0.881 12.860 1.00 0.00 C ATOM 381 CG LYS A 24 -8.464 -0.843 11.949 1.00 0.00 C ATOM 382 CD LYS A 24 -9.392 0.314 12.352 1.00 0.00 C ATOM 383 CE LYS A 24 -10.824 -0.199 12.557 1.00 0.00 C ATOM 384 NZ LYS A 24 -11.357 0.310 13.856 1.00 0.00 N ATOM 0 H LYS A 24 -6.756 -2.117 10.732 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.915 0.419 11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.155 -1.849 13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.310 -0.126 13.641 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.157 -0.726 10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.001 -1.789 12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -9.029 0.777 13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.381 1.084 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.461 0.132 11.736 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.835 -1.289 12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.378 0.486 13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.191 -0.397 14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.874 1.196 14.106 1.00 0.00 H new ATOM 398 N ASP A 25 -4.344 -2.233 12.931 1.00 0.00 N ATOM 399 CA ASP A 25 -3.136 -2.633 13.716 1.00 0.00 C ATOM 400 C ASP A 25 -1.932 -1.845 13.206 1.00 0.00 C ATOM 401 O ASP A 25 -1.153 -1.307 13.968 1.00 0.00 O ATOM 402 CB ASP A 25 -2.867 -4.122 13.514 1.00 0.00 C ATOM 403 CG ASP A 25 -2.004 -4.649 14.660 1.00 0.00 C ATOM 404 OD1 ASP A 25 -2.518 -4.764 15.761 1.00 0.00 O ATOM 405 OD2 ASP A 25 -0.840 -4.928 14.420 1.00 0.00 O ATOM 0 H ASP A 25 -4.828 -3.001 12.466 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.303 -2.429 14.773 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.809 -4.669 13.473 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.363 -4.284 12.561 1.00 0.00 H new ATOM 410 N ALA A 26 -1.798 -1.771 11.910 1.00 0.00 N ATOM 411 CA ALA A 26 -0.670 -1.016 11.308 1.00 0.00 C ATOM 412 C ALA A 26 -0.810 0.467 11.669 1.00 0.00 C ATOM 413 O ALA A 26 0.170 1.176 11.794 1.00 0.00 O ATOM 414 CB ALA A 26 -0.715 -1.186 9.791 1.00 0.00 C ATOM 0 H ALA A 26 -2.430 -2.207 11.238 1.00 0.00 H new ATOM 0 HA ALA A 26 0.280 -1.391 11.688 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.110 -0.635 9.339 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.626 -2.243 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.661 -0.801 9.410 1.00 0.00 H new ATOM 420 N GLY A 27 -2.023 0.933 11.842 1.00 0.00 N ATOM 421 CA GLY A 27 -2.232 2.364 12.203 1.00 0.00 C ATOM 422 C GLY A 27 -3.125 3.035 11.160 1.00 0.00 C ATOM 423 O GLY A 27 -2.877 4.154 10.751 1.00 0.00 O ATOM 0 H GLY A 27 -2.876 0.381 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.691 2.437 13.189 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.273 2.878 12.259 1.00 0.00 H new ATOM 427 N VAL A 28 -4.161 2.364 10.726 1.00 0.00 N ATOM 428 CA VAL A 28 -5.070 2.966 9.707 1.00 0.00 C ATOM 429 C VAL A 28 -6.297 3.566 10.417 1.00 0.00 C ATOM 430 O VAL A 28 -6.524 3.327 11.588 1.00 0.00 O ATOM 431 CB VAL A 28 -5.451 1.876 8.659 1.00 0.00 C ATOM 432 CG1 VAL A 28 -6.845 1.266 8.909 1.00 0.00 C ATOM 433 CG2 VAL A 28 -5.419 2.492 7.255 1.00 0.00 C ATOM 0 H VAL A 28 -4.416 1.426 11.034 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.578 3.777 9.170 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.722 1.071 8.752 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.055 0.514 8.148 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.867 0.801 9.895 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.600 2.051 8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.685 1.733 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.132 3.315 7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.417 2.866 7.045 1.00 0.00 H new ATOM 443 N LYS A 29 -7.084 4.338 9.710 1.00 0.00 N ATOM 444 CA LYS A 29 -8.295 4.950 10.333 1.00 0.00 C ATOM 445 C LYS A 29 -9.519 4.082 10.027 1.00 0.00 C ATOM 446 O LYS A 29 -9.748 3.704 8.894 1.00 0.00 O ATOM 447 CB LYS A 29 -8.510 6.356 9.754 1.00 0.00 C ATOM 448 CG LYS A 29 -8.828 7.340 10.883 1.00 0.00 C ATOM 449 CD LYS A 29 -7.546 8.048 11.320 1.00 0.00 C ATOM 450 CE LYS A 29 -7.899 9.293 12.133 1.00 0.00 C ATOM 451 NZ LYS A 29 -6.670 9.823 12.788 1.00 0.00 N ATOM 0 H LYS A 29 -6.939 4.570 8.727 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.156 5.016 11.412 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.617 6.679 9.219 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.326 6.341 9.032 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.563 8.071 10.546 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.269 6.811 11.727 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.932 7.374 11.917 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.957 8.327 10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.335 10.053 11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.649 9.049 12.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.909 10.670 13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.273 9.098 13.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.969 10.071 12.061 1.00 0.00 H new ATOM 465 N ALA A 30 -10.315 3.775 11.026 1.00 0.00 N ATOM 466 CA ALA A 30 -11.534 2.944 10.783 1.00 0.00 C ATOM 467 C ALA A 30 -12.468 3.708 9.846 1.00 0.00 C ATOM 468 O ALA A 30 -13.157 3.131 9.027 1.00 0.00 O ATOM 469 CB ALA A 30 -12.248 2.665 12.104 1.00 0.00 C ATOM 0 H ALA A 30 -10.172 4.064 11.994 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.247 1.994 10.332 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.135 2.059 11.917 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.576 2.129 12.774 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.543 3.608 12.564 1.00 0.00 H new ATOM 475 N ASN A 31 -12.473 5.013 9.954 1.00 0.00 N ATOM 476 CA ASN A 31 -13.330 5.842 9.068 1.00 0.00 C ATOM 477 C ASN A 31 -12.770 5.788 7.641 1.00 0.00 C ATOM 478 O ASN A 31 -13.485 5.992 6.677 1.00 0.00 O ATOM 479 CB ASN A 31 -13.314 7.289 9.580 1.00 0.00 C ATOM 480 CG ASN A 31 -14.748 7.801 9.734 1.00 0.00 C ATOM 481 OD1 ASN A 31 -15.162 8.706 9.034 1.00 0.00 O ATOM 482 ND2 ASN A 31 -15.528 7.260 10.629 1.00 0.00 N ATOM 0 H ASN A 31 -11.914 5.539 10.625 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.353 5.467 9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.795 7.340 10.537 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.764 7.924 8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -16.485 7.596 10.742 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.181 6.501 11.216 1.00 0.00 H new ATOM 489 N ARG A 32 -11.493 5.515 7.502 1.00 0.00 N ATOM 490 CA ARG A 32 -10.878 5.444 6.145 1.00 0.00 C ATOM 491 C ARG A 32 -10.503 3.989 5.843 1.00 0.00 C ATOM 492 O ARG A 32 -9.356 3.667 5.589 1.00 0.00 O ATOM 493 CB ARG A 32 -9.619 6.320 6.120 1.00 0.00 C ATOM 494 CG ARG A 32 -10.002 7.778 5.825 1.00 0.00 C ATOM 495 CD ARG A 32 -9.393 8.699 6.887 1.00 0.00 C ATOM 496 NE ARG A 32 -10.329 9.833 7.158 1.00 0.00 N ATOM 497 CZ ARG A 32 -10.034 10.774 8.034 1.00 0.00 C ATOM 498 NH1 ARG A 32 -8.908 10.757 8.710 1.00 0.00 N ATOM 499 NH2 ARG A 32 -10.881 11.747 8.236 1.00 0.00 N ATOM 0 H ARG A 32 -10.852 5.338 8.275 1.00 0.00 H new ATOM 0 HA ARG A 32 -11.583 5.801 5.394 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.103 6.257 7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.927 5.956 5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.646 8.064 4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.087 7.884 5.817 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.206 8.141 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.431 9.081 6.545 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.215 9.880 6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.237 10.003 8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.705 11.498 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.760 11.774 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.664 12.480 8.911 1.00 0.00 H new ATOM 513 N ILE A 33 -11.469 3.105 5.871 1.00 0.00 N ATOM 514 CA ILE A 33 -11.189 1.667 5.591 1.00 0.00 C ATOM 515 C ILE A 33 -11.775 1.296 4.226 1.00 0.00 C ATOM 516 O ILE A 33 -12.914 0.881 4.123 1.00 0.00 O ATOM 517 CB ILE A 33 -11.827 0.806 6.693 1.00 0.00 C ATOM 518 CG1 ILE A 33 -11.176 1.147 8.040 1.00 0.00 C ATOM 519 CG2 ILE A 33 -11.645 -0.692 6.390 1.00 0.00 C ATOM 520 CD1 ILE A 33 -9.685 0.792 8.023 1.00 0.00 C ATOM 0 H ILE A 33 -12.444 3.321 6.077 1.00 0.00 H new ATOM 0 HA ILE A 33 -10.113 1.491 5.577 1.00 0.00 H new ATOM 0 HB ILE A 33 -12.895 1.019 6.733 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -11.300 2.209 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -11.676 0.602 8.840 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.104 -1.282 7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.120 -0.931 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -10.582 -0.925 6.334 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -9.241 1.041 8.987 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -9.567 -0.275 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -9.185 1.357 7.236 1.00 0.00 H new ATOM 532 N PHE A 34 -10.999 1.434 3.182 1.00 0.00 N ATOM 533 CA PHE A 34 -11.498 1.081 1.824 1.00 0.00 C ATOM 534 C PHE A 34 -11.322 -0.422 1.612 1.00 0.00 C ATOM 535 O PHE A 34 -10.364 -0.865 1.004 1.00 0.00 O ATOM 536 CB PHE A 34 -10.706 1.849 0.767 1.00 0.00 C ATOM 537 CG PHE A 34 -11.418 3.143 0.455 1.00 0.00 C ATOM 538 CD1 PHE A 34 -12.458 3.161 -0.482 1.00 0.00 C ATOM 539 CD2 PHE A 34 -11.041 4.324 1.105 1.00 0.00 C ATOM 540 CE1 PHE A 34 -13.122 4.360 -0.769 1.00 0.00 C ATOM 541 CE2 PHE A 34 -11.704 5.522 0.818 1.00 0.00 C ATOM 542 CZ PHE A 34 -12.744 5.540 -0.119 1.00 0.00 C ATOM 0 H PHE A 34 -10.039 1.777 3.214 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.552 1.346 1.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -9.698 2.053 1.128 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -10.606 1.248 -0.137 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -12.748 2.250 -0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -10.239 4.310 1.828 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -13.925 4.374 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -11.413 6.433 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.255 6.465 -0.340 1.00 0.00 H new ATOM 552 N THR A 35 -12.239 -1.204 2.114 1.00 0.00 N ATOM 553 CA THR A 35 -12.138 -2.686 1.955 1.00 0.00 C ATOM 554 C THR A 35 -13.177 -3.160 0.937 1.00 0.00 C ATOM 555 O THR A 35 -14.263 -2.618 0.848 1.00 0.00 O ATOM 556 CB THR A 35 -12.371 -3.383 3.307 1.00 0.00 C ATOM 557 OG1 THR A 35 -12.620 -4.764 3.089 1.00 0.00 O ATOM 558 CG2 THR A 35 -13.571 -2.765 4.032 1.00 0.00 C ATOM 0 H THR A 35 -13.057 -0.880 2.630 1.00 0.00 H new ATOM 0 HA THR A 35 -11.140 -2.941 1.600 1.00 0.00 H new ATOM 0 HB THR A 35 -11.481 -3.255 3.923 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.820 -5.185 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.720 -3.271 4.986 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.383 -1.706 4.209 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.465 -2.878 3.418 1.00 0.00 H new ATOM 566 N ASP A 36 -12.844 -4.160 0.159 1.00 0.00 N ATOM 567 CA ASP A 36 -13.800 -4.668 -0.869 1.00 0.00 C ATOM 568 C ASP A 36 -14.582 -5.850 -0.301 1.00 0.00 C ATOM 569 O ASP A 36 -14.460 -6.196 0.858 1.00 0.00 O ATOM 570 CB ASP A 36 -13.035 -5.147 -2.110 1.00 0.00 C ATOM 571 CG ASP A 36 -11.959 -4.132 -2.505 1.00 0.00 C ATOM 572 OD1 ASP A 36 -11.082 -3.885 -1.695 1.00 0.00 O ATOM 573 OD2 ASP A 36 -12.027 -3.628 -3.611 1.00 0.00 O ATOM 0 H ASP A 36 -11.948 -4.647 0.193 1.00 0.00 H new ATOM 0 HA ASP A 36 -14.479 -3.860 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.574 -6.114 -1.909 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.729 -5.291 -2.938 1.00 0.00 H new ATOM 578 N LYS A 37 -15.372 -6.478 -1.130 1.00 0.00 N ATOM 579 CA LYS A 37 -16.162 -7.658 -0.683 1.00 0.00 C ATOM 580 C LYS A 37 -16.086 -8.724 -1.779 1.00 0.00 C ATOM 581 O LYS A 37 -17.065 -9.041 -2.427 1.00 0.00 O ATOM 582 CB LYS A 37 -17.619 -7.247 -0.450 1.00 0.00 C ATOM 583 CG LYS A 37 -17.671 -6.055 0.509 1.00 0.00 C ATOM 584 CD LYS A 37 -17.316 -6.513 1.926 1.00 0.00 C ATOM 585 CE LYS A 37 -18.592 -6.909 2.670 1.00 0.00 C ATOM 586 NZ LYS A 37 -18.950 -8.315 2.329 1.00 0.00 N ATOM 0 H LYS A 37 -15.504 -6.220 -2.108 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.761 -8.052 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.089 -6.985 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.181 -8.084 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.975 -5.283 0.182 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.667 -5.612 0.499 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.629 -7.359 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.804 -5.713 2.461 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.444 -6.811 3.745 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.407 -6.239 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.413 -8.763 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -19.599 -8.321 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.088 -8.844 2.087 1.00 0.00 H new ATOM 600 N ALA A 38 -14.917 -9.269 -1.994 1.00 0.00 N ATOM 601 CA ALA A 38 -14.736 -10.307 -3.050 1.00 0.00 C ATOM 602 C ALA A 38 -15.351 -11.633 -2.585 1.00 0.00 C ATOM 603 O ALA A 38 -14.673 -12.639 -2.467 1.00 0.00 O ATOM 604 CB ALA A 38 -13.239 -10.496 -3.313 1.00 0.00 C ATOM 0 H ALA A 38 -14.070 -9.035 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.233 -9.988 -3.966 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.098 -11.253 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.806 -9.553 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.746 -10.816 -2.395 1.00 0.00 H new ATOM 661 N ASP A 44 -15.080 -8.199 -6.163 1.00 0.00 N ATOM 662 CA ASP A 44 -15.660 -6.823 -6.160 1.00 0.00 C ATOM 663 C ASP A 44 -14.551 -5.806 -5.865 1.00 0.00 C ATOM 664 O ASP A 44 -14.649 -5.012 -4.948 1.00 0.00 O ATOM 665 CB ASP A 44 -16.749 -6.732 -5.086 1.00 0.00 C ATOM 666 CG ASP A 44 -17.885 -5.836 -5.582 1.00 0.00 C ATOM 667 OD1 ASP A 44 -18.189 -5.897 -6.763 1.00 0.00 O ATOM 668 OD2 ASP A 44 -18.434 -5.105 -4.775 1.00 0.00 O ATOM 0 HA ASP A 44 -16.098 -6.606 -7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -17.131 -7.727 -4.856 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -16.331 -6.329 -4.163 1.00 0.00 H new ATOM 673 N ARG A 45 -13.494 -5.830 -6.639 1.00 0.00 N ATOM 674 CA ARG A 45 -12.369 -4.876 -6.412 1.00 0.00 C ATOM 675 C ARG A 45 -12.849 -3.440 -6.647 1.00 0.00 C ATOM 676 O ARG A 45 -12.682 -2.889 -7.719 1.00 0.00 O ATOM 677 CB ARG A 45 -11.224 -5.200 -7.379 1.00 0.00 C ATOM 678 CG ARG A 45 -10.171 -6.053 -6.664 1.00 0.00 C ATOM 679 CD ARG A 45 -9.195 -6.641 -7.688 1.00 0.00 C ATOM 680 NE ARG A 45 -9.491 -8.095 -7.881 1.00 0.00 N ATOM 681 CZ ARG A 45 -8.810 -8.827 -8.742 1.00 0.00 C ATOM 682 NH1 ARG A 45 -7.846 -8.312 -9.470 1.00 0.00 N ATOM 683 NH2 ARG A 45 -9.102 -10.091 -8.874 1.00 0.00 N ATOM 0 H ARG A 45 -13.363 -6.472 -7.421 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.017 -4.971 -5.385 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -11.609 -5.733 -8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.772 -4.278 -7.745 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.629 -5.446 -5.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.656 -6.855 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.284 -6.112 -8.637 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.169 -6.510 -7.345 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.235 -8.530 -7.335 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.609 -7.324 -9.377 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.335 -8.900 -10.129 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.849 -10.503 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -8.583 -10.668 -9.536 1.00 0.00 H new ATOM 697 N LYS A 46 -13.437 -2.834 -5.649 1.00 0.00 N ATOM 698 CA LYS A 46 -13.927 -1.430 -5.797 1.00 0.00 C ATOM 699 C LYS A 46 -13.127 -0.496 -4.877 1.00 0.00 C ATOM 700 O LYS A 46 -13.086 0.701 -5.087 1.00 0.00 O ATOM 701 CB LYS A 46 -15.407 -1.364 -5.411 1.00 0.00 C ATOM 702 CG LYS A 46 -16.252 -2.033 -6.498 1.00 0.00 C ATOM 703 CD LYS A 46 -17.593 -1.305 -6.624 1.00 0.00 C ATOM 704 CE LYS A 46 -18.405 -1.506 -5.343 1.00 0.00 C ATOM 705 NZ LYS A 46 -19.762 -0.919 -5.519 1.00 0.00 N ATOM 0 H LYS A 46 -13.600 -3.253 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 46 -13.798 -1.116 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.566 -1.862 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -15.714 -0.326 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.723 -2.010 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.417 -3.082 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -17.427 -0.242 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.147 -1.686 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.484 -2.568 -5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -17.899 -1.034 -4.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.315 -1.055 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.677 0.098 -5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.243 -1.389 -6.312 1.00 0.00 H new ATOM 719 N GLY A 47 -12.500 -1.033 -3.858 1.00 0.00 N ATOM 720 CA GLY A 47 -11.712 -0.183 -2.916 1.00 0.00 C ATOM 721 C GLY A 47 -10.620 0.579 -3.669 1.00 0.00 C ATOM 722 O GLY A 47 -10.663 1.787 -3.765 1.00 0.00 O ATOM 0 H GLY A 47 -12.501 -2.029 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.374 0.521 -2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.262 -0.807 -2.143 1.00 0.00 H new ATOM 726 N LEU A 48 -9.631 -0.113 -4.187 1.00 0.00 N ATOM 727 CA LEU A 48 -8.512 0.594 -4.921 1.00 0.00 C ATOM 728 C LEU A 48 -9.102 1.503 -6.008 1.00 0.00 C ATOM 729 O LEU A 48 -8.529 2.519 -6.353 1.00 0.00 O ATOM 730 CB LEU A 48 -7.504 -0.388 -5.587 1.00 0.00 C ATOM 731 CG LEU A 48 -8.066 -1.808 -5.750 1.00 0.00 C ATOM 732 CD1 LEU A 48 -9.369 -1.764 -6.548 1.00 0.00 C ATOM 733 CD2 LEU A 48 -7.047 -2.666 -6.502 1.00 0.00 C ATOM 0 H LEU A 48 -9.544 -1.128 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.967 1.173 -4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.221 -0.001 -6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.595 -0.430 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.261 -2.234 -4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.762 -2.775 -6.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.098 -1.148 -6.021 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.178 -1.338 -7.533 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.439 -3.676 -6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.859 -2.231 -7.484 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.115 -2.703 -5.937 1.00 0.00 H new ATOM 745 N ASP A 49 -10.244 1.146 -6.539 1.00 0.00 N ATOM 746 CA ASP A 49 -10.879 1.987 -7.597 1.00 0.00 C ATOM 747 C ASP A 49 -11.323 3.314 -6.981 1.00 0.00 C ATOM 748 O ASP A 49 -10.917 4.377 -7.415 1.00 0.00 O ATOM 749 CB ASP A 49 -12.094 1.254 -8.170 1.00 0.00 C ATOM 750 CG ASP A 49 -12.222 1.561 -9.664 1.00 0.00 C ATOM 751 OD1 ASP A 49 -12.373 2.724 -9.997 1.00 0.00 O ATOM 752 OD2 ASP A 49 -12.167 0.628 -10.448 1.00 0.00 O ATOM 0 H ASP A 49 -10.764 0.307 -6.284 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.163 2.176 -8.397 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.989 0.180 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.998 1.564 -7.646 1.00 0.00 H new ATOM 757 N LEU A 50 -12.147 3.258 -5.966 1.00 0.00 N ATOM 758 CA LEU A 50 -12.619 4.509 -5.304 1.00 0.00 C ATOM 759 C LEU A 50 -11.438 5.164 -4.576 1.00 0.00 C ATOM 760 O LEU A 50 -11.377 6.370 -4.430 1.00 0.00 O ATOM 761 CB LEU A 50 -13.721 4.173 -4.295 1.00 0.00 C ATOM 762 CG LEU A 50 -14.828 3.367 -4.983 1.00 0.00 C ATOM 763 CD1 LEU A 50 -15.498 2.442 -3.964 1.00 0.00 C ATOM 764 CD2 LEU A 50 -15.873 4.324 -5.560 1.00 0.00 C ATOM 0 H LEU A 50 -12.514 2.395 -5.566 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.017 5.194 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.305 3.602 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.134 5.090 -3.875 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.394 2.771 -5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.285 1.869 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.756 1.759 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.930 3.038 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.660 3.751 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.304 4.920 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.400 4.984 -6.287 1.00 0.00 H new ATOM 776 N LEU A 51 -10.498 4.371 -4.128 1.00 0.00 N ATOM 777 CA LEU A 51 -9.308 4.920 -3.418 1.00 0.00 C ATOM 778 C LEU A 51 -8.527 5.820 -4.378 1.00 0.00 C ATOM 779 O LEU A 51 -8.066 6.883 -4.010 1.00 0.00 O ATOM 780 CB LEU A 51 -8.417 3.758 -2.963 1.00 0.00 C ATOM 781 CG LEU A 51 -7.606 4.168 -1.733 1.00 0.00 C ATOM 782 CD1 LEU A 51 -8.519 4.212 -0.507 1.00 0.00 C ATOM 783 CD2 LEU A 51 -6.490 3.148 -1.498 1.00 0.00 C ATOM 0 H LEU A 51 -10.506 3.356 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.623 5.499 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.031 2.888 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.745 3.467 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.173 5.155 -1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.939 4.504 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.316 4.937 -0.673 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.954 3.226 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.910 3.438 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.926 2.163 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.837 3.116 -2.370 1.00 0.00 H new ATOM 795 N ARG A 52 -8.388 5.402 -5.613 1.00 0.00 N ATOM 796 CA ARG A 52 -7.647 6.224 -6.618 1.00 0.00 C ATOM 797 C ARG A 52 -8.289 7.612 -6.737 1.00 0.00 C ATOM 798 O ARG A 52 -7.648 8.566 -7.135 1.00 0.00 O ATOM 799 CB ARG A 52 -7.693 5.524 -7.978 1.00 0.00 C ATOM 800 CG ARG A 52 -6.591 4.463 -8.046 1.00 0.00 C ATOM 801 CD ARG A 52 -7.046 3.308 -8.941 1.00 0.00 C ATOM 802 NE ARG A 52 -7.475 3.845 -10.270 1.00 0.00 N ATOM 803 CZ ARG A 52 -8.108 3.088 -11.145 1.00 0.00 C ATOM 804 NH1 ARG A 52 -8.392 1.831 -10.892 1.00 0.00 N ATOM 805 NH2 ARG A 52 -8.461 3.601 -12.292 1.00 0.00 N ATOM 0 H ARG A 52 -8.759 4.521 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.612 6.336 -6.296 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.668 5.060 -8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.561 6.252 -8.778 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.674 4.901 -8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.365 4.094 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.234 2.593 -9.071 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.870 2.772 -8.470 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.274 4.817 -10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.122 1.417 -10.000 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.883 1.269 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.247 4.576 -12.502 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.951 3.027 -12.978 1.00 0.00 H new ATOM 819 N MET A 53 -9.549 7.729 -6.396 1.00 0.00 N ATOM 820 CA MET A 53 -10.238 9.049 -6.487 1.00 0.00 C ATOM 821 C MET A 53 -10.534 9.614 -5.082 1.00 0.00 C ATOM 822 O MET A 53 -11.161 10.651 -4.952 1.00 0.00 O ATOM 823 CB MET A 53 -11.539 8.880 -7.299 1.00 0.00 C ATOM 824 CG MET A 53 -12.601 8.117 -6.490 1.00 0.00 C ATOM 825 SD MET A 53 -14.170 8.129 -7.388 1.00 0.00 S ATOM 826 CE MET A 53 -15.248 8.316 -5.947 1.00 0.00 C ATOM 0 H MET A 53 -10.130 6.962 -6.057 1.00 0.00 H new ATOM 0 HA MET A 53 -9.587 9.762 -6.993 1.00 0.00 H new ATOM 0 HB2 MET A 53 -11.926 9.860 -7.580 1.00 0.00 H new ATOM 0 HB3 MET A 53 -11.327 8.344 -8.224 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.275 7.091 -6.320 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.727 8.578 -5.510 1.00 0.00 H new ATOM 0 HE1 MET A 53 -16.288 8.347 -6.272 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.104 7.472 -5.273 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.002 9.242 -5.427 1.00 0.00 H new ATOM 836 N LYS A 54 -10.102 8.947 -4.036 1.00 0.00 N ATOM 837 CA LYS A 54 -10.374 9.453 -2.658 1.00 0.00 C ATOM 838 C LYS A 54 -9.060 9.826 -1.959 1.00 0.00 C ATOM 839 O LYS A 54 -9.042 10.648 -1.061 1.00 0.00 O ATOM 840 CB LYS A 54 -11.096 8.363 -1.853 1.00 0.00 C ATOM 841 CG LYS A 54 -12.579 8.723 -1.702 1.00 0.00 C ATOM 842 CD LYS A 54 -12.817 9.357 -0.329 1.00 0.00 C ATOM 843 CE LYS A 54 -14.236 9.038 0.142 1.00 0.00 C ATOM 844 NZ LYS A 54 -14.302 9.149 1.628 1.00 0.00 N ATOM 0 H LYS A 54 -9.574 8.076 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.001 10.342 -2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.996 7.401 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.636 8.259 -0.870 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.878 9.415 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -13.193 7.830 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.090 8.977 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.675 10.436 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.946 9.726 -0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.518 8.033 -0.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.267 8.932 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.635 8.476 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.050 10.116 1.915 1.00 0.00 H new ATOM 858 N VAL A 55 -7.964 9.226 -2.356 1.00 0.00 N ATOM 859 CA VAL A 55 -6.654 9.542 -1.706 1.00 0.00 C ATOM 860 C VAL A 55 -6.314 11.022 -1.901 1.00 0.00 C ATOM 861 O VAL A 55 -6.666 11.624 -2.898 1.00 0.00 O ATOM 862 CB VAL A 55 -5.554 8.683 -2.330 1.00 0.00 C ATOM 863 CG1 VAL A 55 -5.792 7.209 -1.983 1.00 0.00 C ATOM 864 CG2 VAL A 55 -5.563 8.871 -3.849 1.00 0.00 C ATOM 0 H VAL A 55 -7.920 8.531 -3.102 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.727 9.329 -0.639 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.584 8.988 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.007 6.599 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.778 7.083 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.760 6.895 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.779 8.259 -4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.531 8.568 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.385 9.920 -4.087 1.00 0.00 H new ATOM 874 N GLU A 56 -5.620 11.601 -0.955 1.00 0.00 N ATOM 875 CA GLU A 56 -5.235 13.035 -1.066 1.00 0.00 C ATOM 876 C GLU A 56 -3.726 13.122 -1.301 1.00 0.00 C ATOM 877 O GLU A 56 -2.954 12.437 -0.663 1.00 0.00 O ATOM 878 CB GLU A 56 -5.595 13.758 0.233 1.00 0.00 C ATOM 879 CG GLU A 56 -6.955 14.443 0.079 1.00 0.00 C ATOM 880 CD GLU A 56 -6.764 15.823 -0.549 1.00 0.00 C ATOM 881 OE1 GLU A 56 -5.765 16.456 -0.250 1.00 0.00 O ATOM 882 OE2 GLU A 56 -7.621 16.225 -1.321 1.00 0.00 O ATOM 0 H GLU A 56 -5.302 11.136 -0.105 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.766 13.502 -1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.625 13.048 1.060 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.830 14.496 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.611 13.836 -0.545 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.438 14.538 1.051 1.00 0.00 H new ATOM 889 N GLU A 57 -3.300 13.955 -2.218 1.00 0.00 N ATOM 890 CA GLU A 57 -1.833 14.085 -2.512 1.00 0.00 C ATOM 891 C GLU A 57 -1.037 14.302 -1.220 1.00 0.00 C ATOM 892 O GLU A 57 -1.006 15.384 -0.667 1.00 0.00 O ATOM 893 CB GLU A 57 -1.606 15.268 -3.456 1.00 0.00 C ATOM 894 CG GLU A 57 -2.204 16.539 -2.844 1.00 0.00 C ATOM 895 CD GLU A 57 -2.742 17.438 -3.958 1.00 0.00 C ATOM 896 OE1 GLU A 57 -3.777 17.107 -4.514 1.00 0.00 O ATOM 897 OE2 GLU A 57 -2.111 18.445 -4.237 1.00 0.00 O ATOM 0 H GLU A 57 -3.905 14.554 -2.779 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.489 13.163 -2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.539 15.405 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.066 15.067 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.006 16.280 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.446 17.070 -2.268 1.00 0.00 H new ATOM 904 N GLY A 58 -0.393 13.266 -0.742 1.00 0.00 N ATOM 905 CA GLY A 58 0.411 13.386 0.509 1.00 0.00 C ATOM 906 C GLY A 58 -0.157 12.468 1.600 1.00 0.00 C ATOM 907 O GLY A 58 0.149 12.630 2.766 1.00 0.00 O ATOM 0 H GLY A 58 -0.391 12.339 -1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.450 13.123 0.308 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.405 14.420 0.855 1.00 0.00 H new ATOM 911 N ASP A 59 -0.980 11.503 1.240 1.00 0.00 N ATOM 912 CA ASP A 59 -1.550 10.591 2.276 1.00 0.00 C ATOM 913 C ASP A 59 -0.783 9.259 2.279 1.00 0.00 C ATOM 914 O ASP A 59 0.155 9.072 1.527 1.00 0.00 O ATOM 915 CB ASP A 59 -3.044 10.345 1.986 1.00 0.00 C ATOM 916 CG ASP A 59 -3.223 9.499 0.716 1.00 0.00 C ATOM 917 OD1 ASP A 59 -3.063 8.293 0.809 1.00 0.00 O ATOM 918 OD2 ASP A 59 -3.516 10.069 -0.318 1.00 0.00 O ATOM 0 H ASP A 59 -1.275 11.314 0.282 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.451 11.054 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.505 9.838 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.558 11.299 1.868 1.00 0.00 H new ATOM 923 N VAL A 60 -1.191 8.338 3.112 1.00 0.00 N ATOM 924 CA VAL A 60 -0.507 7.008 3.166 1.00 0.00 C ATOM 925 C VAL A 60 -1.541 5.914 2.891 1.00 0.00 C ATOM 926 O VAL A 60 -2.606 5.891 3.479 1.00 0.00 O ATOM 927 CB VAL A 60 0.127 6.769 4.549 1.00 0.00 C ATOM 928 CG1 VAL A 60 1.503 7.434 4.602 1.00 0.00 C ATOM 929 CG2 VAL A 60 -0.762 7.342 5.662 1.00 0.00 C ATOM 0 H VAL A 60 -1.971 8.448 3.760 1.00 0.00 H new ATOM 0 HA VAL A 60 0.285 6.988 2.417 1.00 0.00 H new ATOM 0 HB VAL A 60 0.228 5.695 4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.951 7.265 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.144 7.007 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.396 8.505 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.295 7.162 6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.886 8.415 5.513 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.738 6.857 5.634 1.00 0.00 H new ATOM 939 N ILE A 61 -1.235 5.014 1.992 1.00 0.00 N ATOM 940 CA ILE A 61 -2.193 3.920 1.658 1.00 0.00 C ATOM 941 C ILE A 61 -1.663 2.591 2.205 1.00 0.00 C ATOM 942 O ILE A 61 -0.796 1.974 1.618 1.00 0.00 O ATOM 943 CB ILE A 61 -2.336 3.835 0.136 1.00 0.00 C ATOM 944 CG1 ILE A 61 -2.786 5.195 -0.404 1.00 0.00 C ATOM 945 CG2 ILE A 61 -3.371 2.770 -0.235 1.00 0.00 C ATOM 946 CD1 ILE A 61 -2.567 5.252 -1.916 1.00 0.00 C ATOM 0 H ILE A 61 -0.357 4.991 1.473 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.165 4.126 2.107 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.375 3.563 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.839 5.357 -0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.226 5.993 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.466 2.717 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.050 1.802 0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.335 3.032 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.889 6.222 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.509 5.110 -2.136 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.147 4.464 -2.398 1.00 0.00 H new ATOM 958 N LEU A 62 -2.185 2.149 3.321 1.00 0.00 N ATOM 959 CA LEU A 62 -1.721 0.859 3.909 1.00 0.00 C ATOM 960 C LEU A 62 -2.378 -0.297 3.153 1.00 0.00 C ATOM 961 O LEU A 62 -3.584 -0.335 2.991 1.00 0.00 O ATOM 962 CB LEU A 62 -2.114 0.793 5.386 1.00 0.00 C ATOM 963 CG LEU A 62 -0.970 1.340 6.243 1.00 0.00 C ATOM 964 CD1 LEU A 62 -1.527 1.845 7.574 1.00 0.00 C ATOM 965 CD2 LEU A 62 0.046 0.227 6.506 1.00 0.00 C ATOM 0 H LEU A 62 -2.914 2.628 3.850 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.637 0.787 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.021 1.373 5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.335 -0.236 5.669 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.483 2.161 5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.713 2.235 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.252 2.637 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.014 1.024 8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.861 0.615 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.442 -0.594 7.032 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.443 -0.135 5.558 1.00 0.00 H new ATOM 977 N VAL A 63 -1.595 -1.233 2.684 1.00 0.00 N ATOM 978 CA VAL A 63 -2.169 -2.386 1.930 1.00 0.00 C ATOM 979 C VAL A 63 -1.729 -3.700 2.578 1.00 0.00 C ATOM 980 O VAL A 63 -0.581 -3.868 2.943 1.00 0.00 O ATOM 981 CB VAL A 63 -1.675 -2.343 0.481 1.00 0.00 C ATOM 982 CG1 VAL A 63 -2.386 -3.427 -0.333 1.00 0.00 C ATOM 983 CG2 VAL A 63 -1.985 -0.970 -0.122 1.00 0.00 C ATOM 0 H VAL A 63 -0.581 -1.248 2.791 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.257 -2.322 1.949 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.599 -2.517 0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.035 -3.397 -1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.169 -4.405 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.462 -3.252 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.634 -0.938 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.061 -0.797 -0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.481 -0.196 0.457 1.00 0.00 H new ATOM 1207 N ILE A 77 0.650 -3.023 -10.022 1.00 0.00 N ATOM 1208 CA ILE A 77 1.580 -1.922 -10.410 1.00 0.00 C ATOM 1209 C ILE A 77 0.788 -0.743 -11.001 1.00 0.00 C ATOM 1210 O ILE A 77 1.294 0.359 -11.094 1.00 0.00 O ATOM 1211 CB ILE A 77 2.579 -2.450 -11.445 1.00 0.00 C ATOM 1212 CG1 ILE A 77 3.337 -3.650 -10.852 1.00 0.00 C ATOM 1213 CG2 ILE A 77 3.578 -1.345 -11.827 1.00 0.00 C ATOM 1214 CD1 ILE A 77 2.753 -4.951 -11.405 1.00 0.00 C ATOM 0 HA ILE A 77 2.116 -1.573 -9.527 1.00 0.00 H new ATOM 0 HB ILE A 77 2.039 -2.761 -12.339 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.396 -3.582 -11.099 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.262 -3.639 -9.765 1.00 0.00 H new ATOM 0 HG21 ILE A 77 4.283 -1.731 -12.563 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.039 -0.498 -12.251 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.121 -1.022 -10.939 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.292 -5.800 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.699 -5.020 -11.136 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.852 -4.962 -12.490 1.00 0.00 H new ATOM 1226 N GLN A 78 -0.441 -0.964 -11.404 1.00 0.00 N ATOM 1227 CA GLN A 78 -1.249 0.147 -11.990 1.00 0.00 C ATOM 1228 C GLN A 78 -1.567 1.181 -10.907 1.00 0.00 C ATOM 1229 O GLN A 78 -1.047 2.282 -10.921 1.00 0.00 O ATOM 1230 CB GLN A 78 -2.553 -0.418 -12.565 1.00 0.00 C ATOM 1231 CG GLN A 78 -2.845 0.232 -13.920 1.00 0.00 C ATOM 1232 CD GLN A 78 -3.294 1.678 -13.706 1.00 0.00 C ATOM 1233 OE1 GLN A 78 -4.401 1.925 -13.268 1.00 0.00 O ATOM 1234 NE2 GLN A 78 -2.476 2.653 -13.997 1.00 0.00 N ATOM 0 H GLN A 78 -0.917 -1.865 -11.352 1.00 0.00 H new ATOM 0 HA GLN A 78 -0.681 0.627 -12.786 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.473 -1.499 -12.679 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -3.377 -0.231 -11.876 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.954 0.206 -14.547 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.620 -0.327 -14.444 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.547 2.447 -14.364 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.766 3.621 -13.857 1.00 0.00 H new ATOM 1243 N LEU A 79 -2.421 0.840 -9.971 1.00 0.00 N ATOM 1244 CA LEU A 79 -2.778 1.811 -8.890 1.00 0.00 C ATOM 1245 C LEU A 79 -1.512 2.220 -8.125 1.00 0.00 C ATOM 1246 O LEU A 79 -1.409 3.327 -7.633 1.00 0.00 O ATOM 1247 CB LEU A 79 -3.825 1.194 -7.939 1.00 0.00 C ATOM 1248 CG LEU A 79 -3.249 0.011 -7.143 1.00 0.00 C ATOM 1249 CD1 LEU A 79 -4.011 -0.125 -5.827 1.00 0.00 C ATOM 1250 CD2 LEU A 79 -3.406 -1.282 -7.945 1.00 0.00 C ATOM 0 H LEU A 79 -2.885 -0.066 -9.910 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.217 2.703 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.182 1.957 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.687 0.858 -8.516 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.192 0.190 -6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.607 -0.962 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.904 0.792 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.066 -0.302 -6.034 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.996 -2.116 -7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.463 -1.462 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.871 -1.191 -8.890 1.00 0.00 H new ATOM 1262 N ILE A 80 -0.541 1.342 -8.046 1.00 0.00 N ATOM 1263 CA ILE A 80 0.729 1.682 -7.337 1.00 0.00 C ATOM 1264 C ILE A 80 1.401 2.841 -8.092 1.00 0.00 C ATOM 1265 O ILE A 80 2.040 3.691 -7.500 1.00 0.00 O ATOM 1266 CB ILE A 80 1.635 0.430 -7.299 1.00 0.00 C ATOM 1267 CG1 ILE A 80 1.072 -0.566 -6.269 1.00 0.00 C ATOM 1268 CG2 ILE A 80 3.080 0.795 -6.914 1.00 0.00 C ATOM 1269 CD1 ILE A 80 1.097 0.037 -4.861 1.00 0.00 C ATOM 0 H ILE A 80 -0.575 0.403 -8.443 1.00 0.00 H new ATOM 0 HA ILE A 80 0.540 1.992 -6.309 1.00 0.00 H new ATOM 0 HB ILE A 80 1.650 -0.015 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.050 -0.834 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.658 -1.485 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.691 -0.108 -6.896 1.00 0.00 H new ATOM 0 HG22 ILE A 80 3.486 1.494 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.088 1.258 -5.927 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.695 -0.684 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.123 0.282 -4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.491 0.943 -4.842 1.00 0.00 H new ATOM 1281 N LYS A 81 1.239 2.885 -9.392 1.00 0.00 N ATOM 1282 CA LYS A 81 1.843 3.992 -10.189 1.00 0.00 C ATOM 1283 C LYS A 81 0.901 5.198 -10.147 1.00 0.00 C ATOM 1284 O LYS A 81 1.332 6.333 -10.083 1.00 0.00 O ATOM 1285 CB LYS A 81 2.034 3.532 -11.643 1.00 0.00 C ATOM 1286 CG LYS A 81 3.527 3.505 -11.991 1.00 0.00 C ATOM 1287 CD LYS A 81 4.047 2.068 -11.916 1.00 0.00 C ATOM 1288 CE LYS A 81 3.824 1.369 -13.261 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.002 0.510 -13.582 1.00 0.00 N ATOM 0 H LYS A 81 0.713 2.200 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 81 2.812 4.266 -9.773 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.602 2.541 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.506 4.205 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.685 3.907 -12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.083 4.140 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.108 2.067 -11.666 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.532 1.525 -11.123 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.919 0.762 -13.221 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.677 2.110 -14.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.681 -0.354 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.653 1.031 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.494 0.253 -12.703 1.00 0.00 H new ATOM 1303 N GLU A 82 -0.385 4.952 -10.180 1.00 0.00 N ATOM 1304 CA GLU A 82 -1.370 6.071 -10.138 1.00 0.00 C ATOM 1305 C GLU A 82 -1.237 6.813 -8.807 1.00 0.00 C ATOM 1306 O GLU A 82 -1.406 8.017 -8.737 1.00 0.00 O ATOM 1307 CB GLU A 82 -2.787 5.505 -10.271 1.00 0.00 C ATOM 1308 CG GLU A 82 -3.698 6.551 -10.914 1.00 0.00 C ATOM 1309 CD GLU A 82 -3.591 6.453 -12.437 1.00 0.00 C ATOM 1310 OE1 GLU A 82 -3.913 5.403 -12.969 1.00 0.00 O ATOM 1311 OE2 GLU A 82 -3.190 7.431 -13.047 1.00 0.00 O ATOM 0 H GLU A 82 -0.795 4.019 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.177 6.761 -10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.772 4.599 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.172 5.226 -9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.730 6.392 -10.600 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.414 7.550 -10.582 1.00 0.00 H new ATOM 1318 N PHE A 83 -0.929 6.102 -7.753 1.00 0.00 N ATOM 1319 CA PHE A 83 -0.774 6.752 -6.420 1.00 0.00 C ATOM 1320 C PHE A 83 0.605 7.410 -6.341 1.00 0.00 C ATOM 1321 O PHE A 83 0.760 8.477 -5.777 1.00 0.00 O ATOM 1322 CB PHE A 83 -0.897 5.698 -5.319 1.00 0.00 C ATOM 1323 CG PHE A 83 -2.336 5.259 -5.190 1.00 0.00 C ATOM 1324 CD1 PHE A 83 -3.342 6.208 -4.978 1.00 0.00 C ATOM 1325 CD2 PHE A 83 -2.666 3.900 -5.278 1.00 0.00 C ATOM 1326 CE1 PHE A 83 -4.675 5.800 -4.856 1.00 0.00 C ATOM 1327 CE2 PHE A 83 -4.000 3.492 -5.157 1.00 0.00 C ATOM 1328 CZ PHE A 83 -5.004 4.443 -4.945 1.00 0.00 C ATOM 0 H PHE A 83 -0.778 5.093 -7.760 1.00 0.00 H new ATOM 0 HA PHE A 83 -1.551 7.505 -6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.265 4.841 -5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.545 6.106 -4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.090 7.256 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.890 3.166 -5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -5.451 6.533 -4.693 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.254 2.445 -5.227 1.00 0.00 H new ATOM 0 HZ PHE A 83 -6.033 4.130 -4.850 1.00 0.00 H new ATOM 1338 N ASP A 84 1.604 6.780 -6.906 1.00 0.00 N ATOM 1339 CA ASP A 84 2.978 7.359 -6.876 1.00 0.00 C ATOM 1340 C ASP A 84 2.979 8.691 -7.625 1.00 0.00 C ATOM 1341 O ASP A 84 3.695 9.611 -7.276 1.00 0.00 O ATOM 1342 CB ASP A 84 3.949 6.391 -7.555 1.00 0.00 C ATOM 1343 CG ASP A 84 5.343 6.553 -6.949 1.00 0.00 C ATOM 1344 OD1 ASP A 84 5.427 6.751 -5.749 1.00 0.00 O ATOM 1345 OD2 ASP A 84 6.304 6.476 -7.696 1.00 0.00 O ATOM 0 H ASP A 84 1.525 5.885 -7.389 1.00 0.00 H new ATOM 0 HA ASP A 84 3.288 7.521 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.603 5.365 -7.428 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.983 6.586 -8.627 1.00 0.00 H new ATOM 1350 N ALA A 85 2.176 8.796 -8.651 1.00 0.00 N ATOM 1351 CA ALA A 85 2.113 10.062 -9.437 1.00 0.00 C ATOM 1352 C ALA A 85 1.205 11.072 -8.726 1.00 0.00 C ATOM 1353 O ALA A 85 1.316 12.265 -8.939 1.00 0.00 O ATOM 1354 CB ALA A 85 1.553 9.768 -10.830 1.00 0.00 C ATOM 0 H ALA A 85 1.558 8.054 -8.980 1.00 0.00 H new ATOM 0 HA ALA A 85 3.116 10.480 -9.525 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.506 10.692 -11.406 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.201 9.055 -11.340 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.552 9.347 -10.738 1.00 0.00 H new ATOM 1360 N GLN A 86 0.307 10.609 -7.886 1.00 0.00 N ATOM 1361 CA GLN A 86 -0.606 11.544 -7.170 1.00 0.00 C ATOM 1362 C GLN A 86 0.090 12.137 -5.931 1.00 0.00 C ATOM 1363 O GLN A 86 -0.519 12.870 -5.173 1.00 0.00 O ATOM 1364 CB GLN A 86 -1.863 10.776 -6.736 1.00 0.00 C ATOM 1365 CG GLN A 86 -3.056 11.201 -7.597 1.00 0.00 C ATOM 1366 CD GLN A 86 -3.585 12.550 -7.108 1.00 0.00 C ATOM 1367 OE1 GLN A 86 -3.809 12.736 -5.928 1.00 0.00 O ATOM 1368 NE2 GLN A 86 -3.797 13.506 -7.970 1.00 0.00 N ATOM 0 H GLN A 86 0.171 9.622 -7.669 1.00 0.00 H new ATOM 0 HA GLN A 86 -0.877 12.362 -7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -1.696 9.703 -6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -2.074 10.971 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.756 11.274 -8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.843 10.449 -7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.609 13.351 -8.960 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.151 14.409 -7.654 1.00 0.00 H new ATOM 1377 N GLY A 87 1.350 11.830 -5.712 1.00 0.00 N ATOM 1378 CA GLY A 87 2.058 12.383 -4.519 1.00 0.00 C ATOM 1379 C GLY A 87 1.556 11.677 -3.258 1.00 0.00 C ATOM 1380 O GLY A 87 1.541 12.246 -2.181 1.00 0.00 O ATOM 0 H GLY A 87 1.913 11.223 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 87 3.134 12.243 -4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.882 13.456 -4.443 1.00 0.00 H new ATOM 1384 N VAL A 88 1.144 10.441 -3.386 1.00 0.00 N ATOM 1385 CA VAL A 88 0.639 9.686 -2.204 1.00 0.00 C ATOM 1386 C VAL A 88 1.570 8.503 -1.927 1.00 0.00 C ATOM 1387 O VAL A 88 2.210 7.982 -2.822 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.782 9.181 -2.495 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -1.313 8.378 -1.302 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.699 10.381 -2.737 1.00 0.00 C ATOM 0 H VAL A 88 1.137 9.922 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 88 0.615 10.336 -1.329 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.759 8.539 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.321 8.025 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.661 7.524 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.335 9.013 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.710 10.030 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.710 11.015 -1.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.332 10.954 -3.589 1.00 0.00 H new ATOM 1400 N SER A 89 1.649 8.083 -0.691 1.00 0.00 N ATOM 1401 CA SER A 89 2.537 6.938 -0.340 1.00 0.00 C ATOM 1402 C SER A 89 1.692 5.678 -0.138 1.00 0.00 C ATOM 1403 O SER A 89 0.499 5.752 0.086 1.00 0.00 O ATOM 1404 CB SER A 89 3.295 7.261 0.949 1.00 0.00 C ATOM 1405 OG SER A 89 4.580 7.774 0.622 1.00 0.00 O ATOM 0 H SER A 89 1.134 8.486 0.092 1.00 0.00 H new ATOM 0 HA SER A 89 3.249 6.768 -1.147 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.739 7.990 1.539 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.394 6.364 1.561 1.00 0.00 H new ATOM 0 HG SER A 89 5.068 7.984 1.446 1.00 0.00 H new ATOM 1411 N ILE A 90 2.307 4.527 -0.210 1.00 0.00 N ATOM 1412 CA ILE A 90 1.554 3.254 -0.016 1.00 0.00 C ATOM 1413 C ILE A 90 2.341 2.352 0.936 1.00 0.00 C ATOM 1414 O ILE A 90 3.314 1.729 0.557 1.00 0.00 O ATOM 1415 CB ILE A 90 1.365 2.560 -1.370 1.00 0.00 C ATOM 1416 CG1 ILE A 90 0.646 3.529 -2.324 1.00 0.00 C ATOM 1417 CG2 ILE A 90 0.529 1.286 -1.181 1.00 0.00 C ATOM 1418 CD1 ILE A 90 0.389 2.861 -3.679 1.00 0.00 C ATOM 0 H ILE A 90 3.304 4.414 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 90 0.573 3.461 0.412 1.00 0.00 H new ATOM 0 HB ILE A 90 2.332 2.285 -1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -0.299 3.846 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.250 4.426 -2.463 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.395 0.793 -2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.043 0.612 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.445 1.548 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.120 3.563 -4.340 1.00 0.00 H new ATOM 0 HD12 ILE A 90 1.339 2.566 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.234 1.978 -3.537 1.00 0.00 H new ATOM 1430 N ARG A 91 1.926 2.289 2.176 1.00 0.00 N ATOM 1431 CA ARG A 91 2.644 1.442 3.173 1.00 0.00 C ATOM 1432 C ARG A 91 2.248 -0.024 2.983 1.00 0.00 C ATOM 1433 O ARG A 91 1.111 -0.336 2.685 1.00 0.00 O ATOM 1434 CB ARG A 91 2.271 1.897 4.586 1.00 0.00 C ATOM 1435 CG ARG A 91 2.718 3.349 4.797 1.00 0.00 C ATOM 1436 CD ARG A 91 3.275 3.519 6.213 1.00 0.00 C ATOM 1437 NE ARG A 91 4.452 4.444 6.175 1.00 0.00 N ATOM 1438 CZ ARG A 91 5.246 4.587 7.218 1.00 0.00 C ATOM 1439 NH1 ARG A 91 5.042 3.926 8.334 1.00 0.00 N ATOM 1440 NH2 ARG A 91 6.261 5.404 7.136 1.00 0.00 N ATOM 0 H ARG A 91 1.117 2.791 2.541 1.00 0.00 H new ATOM 0 HA ARG A 91 3.720 1.544 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.194 1.813 4.733 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.745 1.250 5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.478 3.616 4.063 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.876 4.024 4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.505 3.919 6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.571 2.551 6.618 1.00 0.00 H new ATOM 0 HE ARG A 91 4.643 4.974 5.325 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.254 3.283 8.409 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.672 4.055 9.126 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.431 5.921 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.884 5.525 7.935 1.00 0.00 H new ATOM 1454 N PHE A 92 3.185 -0.921 3.155 1.00 0.00 N ATOM 1455 CA PHE A 92 2.886 -2.371 2.987 1.00 0.00 C ATOM 1456 C PHE A 92 2.960 -3.063 4.348 1.00 0.00 C ATOM 1457 O PHE A 92 3.784 -2.728 5.179 1.00 0.00 O ATOM 1458 CB PHE A 92 3.916 -2.995 2.040 1.00 0.00 C ATOM 1459 CG PHE A 92 3.480 -2.791 0.609 1.00 0.00 C ATOM 1460 CD1 PHE A 92 3.189 -1.503 0.139 1.00 0.00 C ATOM 1461 CD2 PHE A 92 3.369 -3.890 -0.250 1.00 0.00 C ATOM 1462 CE1 PHE A 92 2.786 -1.317 -1.189 1.00 0.00 C ATOM 1463 CE2 PHE A 92 2.965 -3.703 -1.579 1.00 0.00 C ATOM 1464 CZ PHE A 92 2.673 -2.416 -2.047 1.00 0.00 C ATOM 0 H PHE A 92 4.150 -0.707 3.406 1.00 0.00 H new ATOM 0 HA PHE A 92 1.887 -2.494 2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.894 -2.541 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.020 -4.059 2.250 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.276 -0.654 0.801 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.595 -4.882 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.562 -0.324 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 92 2.879 -4.551 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 92 2.360 -2.272 -3.071 1.00 0.00 H new ATOM 1474 N ILE A 93 2.104 -4.024 4.582 1.00 0.00 N ATOM 1475 CA ILE A 93 2.115 -4.743 5.889 1.00 0.00 C ATOM 1476 C ILE A 93 3.428 -5.529 6.032 1.00 0.00 C ATOM 1477 O ILE A 93 3.900 -5.762 7.127 1.00 0.00 O ATOM 1478 CB ILE A 93 0.913 -5.698 5.953 1.00 0.00 C ATOM 1479 CG1 ILE A 93 0.892 -6.412 7.310 1.00 0.00 C ATOM 1480 CG2 ILE A 93 1.003 -6.735 4.829 1.00 0.00 C ATOM 1481 CD1 ILE A 93 0.648 -5.391 8.423 1.00 0.00 C ATOM 0 H ILE A 93 1.395 -4.342 3.921 1.00 0.00 H new ATOM 0 HA ILE A 93 2.044 -4.025 6.706 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.004 -5.121 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.110 -7.171 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.838 -6.927 7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.146 -7.406 4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.005 -6.227 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.922 -7.310 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.633 -5.900 9.387 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.446 -4.648 8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.309 -4.896 8.259 1.00 0.00 H new