USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 475 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 40 SER OG : rot -178:sc= -4! USER MOD Set 1.2: A 78 CYS SG : rot 150:sc= -1.08 USER MOD Set 2.1: A 31 CYS SG : rot -157:sc= -5.79! USER MOD Set 2.2: A 34 HIS :FLIP no HD1:sc= -27.5! C(o=-42!,f=-39!) USER MOD Set 2.3: A 37 THR OG1 : rot 70:sc= -0.473 USER MOD Set 2.4: A 86 CYS SG : rot -105:sc= -5.36 USER MOD Set 2.5: A 88 SER OG : rot -96:sc= 0.149 USER MOD Set 2.6: A 89 CYS SG : rot 180:sc= 0.0638 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 177:sc= -0.85! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00684 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= 0.717 (180deg=0.597) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.124 (180deg=-1.12) USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00427) USER MOD ----------------------------------------------------------------- ATOM 28 N ALA A 18 4.222 -1.623 -5.119 1.00 0.00 N ATOM 29 CA ALA A 18 5.361 -1.929 -5.968 1.00 0.00 C ATOM 30 C ALA A 18 5.883 -3.327 -5.629 1.00 0.00 C ATOM 31 O ALA A 18 6.402 -4.027 -6.497 1.00 0.00 O ATOM 32 CB ALA A 18 6.431 -0.849 -5.797 1.00 0.00 C ATOM 0 HA ALA A 18 5.067 -1.932 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.285 -1.079 -6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.018 0.120 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.753 -0.817 -4.756 1.00 0.00 H new ATOM 38 N VAL A 19 5.728 -3.691 -4.364 1.00 0.00 N ATOM 39 CA VAL A 19 6.177 -4.992 -3.900 1.00 0.00 C ATOM 40 C VAL A 19 5.309 -6.082 -4.531 1.00 0.00 C ATOM 41 O VAL A 19 5.827 -7.058 -5.072 1.00 0.00 O ATOM 42 CB VAL A 19 6.169 -5.033 -2.370 1.00 0.00 C ATOM 43 CG1 VAL A 19 4.750 -4.859 -1.824 1.00 0.00 C ATOM 44 CG2 VAL A 19 6.801 -6.327 -1.853 1.00 0.00 C ATOM 0 H VAL A 19 5.298 -3.107 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 19 7.205 -5.174 -4.212 1.00 0.00 H new ATOM 0 HB VAL A 19 6.771 -4.199 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.773 -4.892 -0.735 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.350 -3.899 -2.150 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.115 -5.662 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.783 -6.331 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.239 -7.182 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.833 -6.391 -2.199 1.00 0.00 H new ATOM 54 N TYR A 20 4.003 -5.879 -4.442 1.00 0.00 N ATOM 55 CA TYR A 20 3.058 -6.833 -4.998 1.00 0.00 C ATOM 56 C TYR A 20 3.233 -6.959 -6.513 1.00 0.00 C ATOM 57 O TYR A 20 3.209 -8.063 -7.055 1.00 0.00 O ATOM 58 CB TYR A 20 1.667 -6.269 -4.703 1.00 0.00 C ATOM 59 CG TYR A 20 1.026 -6.827 -3.430 1.00 0.00 C ATOM 60 CD1 TYR A 20 1.814 -7.419 -2.464 1.00 0.00 C ATOM 61 CD2 TYR A 20 -0.339 -6.737 -3.248 1.00 0.00 C ATOM 62 CE1 TYR A 20 1.212 -7.944 -1.266 1.00 0.00 C ATOM 63 CE2 TYR A 20 -0.941 -7.262 -2.050 1.00 0.00 C ATOM 64 CZ TYR A 20 -0.136 -7.839 -1.118 1.00 0.00 C ATOM 65 OH TYR A 20 -0.705 -8.335 0.014 1.00 0.00 O ATOM 0 H TYR A 20 3.577 -5.068 -3.993 1.00 0.00 H new ATOM 0 HA TYR A 20 3.210 -7.821 -4.563 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.737 -5.185 -4.617 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.013 -6.480 -5.549 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.882 -7.489 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.955 -6.273 -4.004 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.817 -8.410 -0.502 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.008 -7.199 -1.895 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.674 -8.189 -0.016 1.00 0.00 H new ATOM 75 N ILE A 21 3.405 -5.812 -7.154 1.00 0.00 N ATOM 76 CA ILE A 21 3.584 -5.780 -8.595 1.00 0.00 C ATOM 77 C ILE A 21 4.941 -6.389 -8.950 1.00 0.00 C ATOM 78 O ILE A 21 5.060 -7.120 -9.932 1.00 0.00 O ATOM 79 CB ILE A 21 3.390 -4.358 -9.128 1.00 0.00 C ATOM 80 CG1 ILE A 21 2.624 -4.369 -10.452 1.00 0.00 C ATOM 81 CG2 ILE A 21 4.730 -3.630 -9.247 1.00 0.00 C ATOM 82 CD1 ILE A 21 2.805 -3.047 -11.201 1.00 0.00 C ATOM 0 H ILE A 21 3.424 -4.898 -6.701 1.00 0.00 H new ATOM 0 HA ILE A 21 2.823 -6.387 -9.086 1.00 0.00 H new ATOM 0 HB ILE A 21 2.785 -3.803 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.975 -5.194 -11.072 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.565 -4.541 -10.262 1.00 0.00 H new ATOM 0 HG21 ILE A 21 4.564 -2.622 -9.628 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.202 -3.574 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.380 -4.174 -9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.250 -3.081 -12.139 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.431 -2.227 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.863 -2.890 -11.411 1.00 0.00 H new ATOM 94 N ALA A 22 5.932 -6.066 -8.131 1.00 0.00 N ATOM 95 CA ALA A 22 7.276 -6.573 -8.346 1.00 0.00 C ATOM 96 C ALA A 22 7.284 -8.089 -8.142 1.00 0.00 C ATOM 97 O ALA A 22 8.010 -8.807 -8.827 1.00 0.00 O ATOM 98 CB ALA A 22 8.249 -5.853 -7.409 1.00 0.00 C ATOM 0 H ALA A 22 5.830 -5.459 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 22 7.601 -6.377 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.258 -6.233 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.227 -4.783 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.956 -6.030 -6.374 1.00 0.00 H new ATOM 104 N ILE A 23 6.468 -8.531 -7.197 1.00 0.00 N ATOM 105 CA ILE A 23 6.371 -9.949 -6.894 1.00 0.00 C ATOM 106 C ILE A 23 5.280 -10.578 -7.762 1.00 0.00 C ATOM 107 O ILE A 23 5.162 -11.801 -7.827 1.00 0.00 O ATOM 108 CB ILE A 23 6.163 -10.163 -5.393 1.00 0.00 C ATOM 109 CG1 ILE A 23 4.737 -9.795 -4.979 1.00 0.00 C ATOM 110 CG2 ILE A 23 7.211 -9.401 -4.580 1.00 0.00 C ATOM 111 CD1 ILE A 23 3.845 -11.036 -4.920 1.00 0.00 C ATOM 0 H ILE A 23 5.867 -7.932 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 23 7.305 -10.456 -7.138 1.00 0.00 H new ATOM 0 HB ILE A 23 6.297 -11.223 -5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.752 -9.307 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.322 -9.078 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.040 -9.570 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.207 -9.754 -4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.134 -8.335 -4.795 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.837 -10.746 -4.623 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.813 -11.508 -5.902 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.249 -11.740 -4.192 1.00 0.00 H new ATOM 123 N GLU A 24 4.510 -9.715 -8.407 1.00 0.00 N ATOM 124 CA GLU A 24 3.432 -10.171 -9.269 1.00 0.00 C ATOM 125 C GLU A 24 3.830 -10.024 -10.739 1.00 0.00 C ATOM 126 O GLU A 24 3.102 -10.461 -11.629 1.00 0.00 O ATOM 127 CB GLU A 24 2.136 -9.414 -8.973 1.00 0.00 C ATOM 128 CG GLU A 24 1.529 -9.864 -7.643 1.00 0.00 C ATOM 129 CD GLU A 24 0.656 -11.106 -7.831 1.00 0.00 C ATOM 130 OE1 GLU A 24 0.068 -11.293 -8.907 1.00 0.00 O ATOM 131 OE2 GLU A 24 0.601 -11.893 -6.811 1.00 0.00 O ATOM 0 H GLU A 24 4.611 -8.702 -8.350 1.00 0.00 H new ATOM 0 HA GLU A 24 3.252 -11.227 -9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.336 -8.343 -8.942 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.421 -9.582 -9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.325 -10.079 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.932 -9.056 -7.220 1.00 0.00 H new ATOM 139 N ALA A 25 4.984 -9.408 -10.948 1.00 0.00 N ATOM 140 CA ALA A 25 5.487 -9.198 -12.295 1.00 0.00 C ATOM 141 C ALA A 25 6.035 -10.519 -12.842 1.00 0.00 C ATOM 142 O ALA A 25 6.479 -10.584 -13.987 1.00 0.00 O ATOM 143 CB ALA A 25 6.543 -8.091 -12.280 1.00 0.00 C ATOM 0 H ALA A 25 5.585 -9.047 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 25 4.685 -8.874 -12.958 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.920 -7.934 -13.291 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.097 -7.167 -11.912 1.00 0.00 H new ATOM 0 HB3 ALA A 25 7.366 -8.382 -11.627 1.00 0.00 H new ATOM 149 N GLY A 26 5.985 -11.538 -11.997 1.00 0.00 N ATOM 150 CA GLY A 26 6.470 -12.853 -12.381 1.00 0.00 C ATOM 151 C GLY A 26 7.550 -13.342 -11.414 1.00 0.00 C ATOM 152 O GLY A 26 8.530 -13.957 -11.832 1.00 0.00 O ATOM 0 H GLY A 26 5.616 -11.480 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.641 -13.561 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.873 -12.815 -13.393 1.00 0.00 H new ATOM 156 N THR A 27 7.333 -13.052 -10.139 1.00 0.00 N ATOM 157 CA THR A 27 8.276 -13.455 -9.109 1.00 0.00 C ATOM 158 C THR A 27 7.847 -14.785 -8.485 1.00 0.00 C ATOM 159 O THR A 27 8.657 -15.701 -8.350 1.00 0.00 O ATOM 160 CB THR A 27 8.384 -12.315 -8.095 1.00 0.00 C ATOM 161 OG1 THR A 27 8.496 -11.144 -8.900 1.00 0.00 O ATOM 162 CG2 THR A 27 9.697 -12.353 -7.310 1.00 0.00 C ATOM 0 H THR A 27 6.518 -12.543 -9.796 1.00 0.00 H new ATOM 0 HA THR A 27 9.267 -13.632 -9.527 1.00 0.00 H new ATOM 0 HB THR A 27 7.544 -12.365 -7.402 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.527 -10.352 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.723 -11.523 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.768 -13.295 -6.765 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.536 -12.269 -8.000 1.00 0.00 H new ATOM 170 N LEU A 28 6.575 -14.848 -8.121 1.00 0.00 N ATOM 171 CA LEU A 28 6.029 -16.050 -7.514 1.00 0.00 C ATOM 172 C LEU A 28 4.871 -16.567 -8.370 1.00 0.00 C ATOM 173 O LEU A 28 4.455 -15.908 -9.322 1.00 0.00 O ATOM 174 CB LEU A 28 5.647 -15.788 -6.056 1.00 0.00 C ATOM 175 CG LEU A 28 6.564 -14.838 -5.283 1.00 0.00 C ATOM 176 CD1 LEU A 28 5.949 -14.459 -3.934 1.00 0.00 C ATOM 177 CD2 LEU A 28 7.964 -15.434 -5.127 1.00 0.00 C ATOM 0 H LEU A 28 5.906 -14.086 -8.235 1.00 0.00 H new ATOM 0 HA LEU A 28 6.782 -16.838 -7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.635 -15.383 -6.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.620 -16.743 -5.531 1.00 0.00 H new ATOM 0 HG LEU A 28 6.668 -13.919 -5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.621 -13.783 -3.405 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.991 -13.965 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.796 -15.359 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.596 -14.739 -4.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.900 -16.377 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.396 -15.612 -6.112 1.00 0.00 H new ATOM 189 N ALA A 29 4.383 -17.742 -8.001 1.00 0.00 N ATOM 190 CA ALA A 29 3.281 -18.356 -8.723 1.00 0.00 C ATOM 191 C ALA A 29 2.232 -18.845 -7.723 1.00 0.00 C ATOM 192 O ALA A 29 2.560 -19.174 -6.584 1.00 0.00 O ATOM 193 CB ALA A 29 3.815 -19.484 -9.607 1.00 0.00 C ATOM 0 H ALA A 29 4.731 -18.286 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 29 2.799 -17.630 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.988 -19.944 -10.148 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.534 -19.079 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.303 -20.234 -8.985 1.00 0.00 H new ATOM 199 N GLU A 30 0.990 -18.878 -8.185 1.00 0.00 N ATOM 200 CA GLU A 30 -0.109 -19.322 -7.346 1.00 0.00 C ATOM 201 C GLU A 30 -1.189 -19.994 -8.196 1.00 0.00 C ATOM 202 O GLU A 30 -1.483 -19.543 -9.302 1.00 0.00 O ATOM 203 CB GLU A 30 -0.691 -18.157 -6.542 1.00 0.00 C ATOM 204 CG GLU A 30 -1.798 -17.450 -7.325 1.00 0.00 C ATOM 205 CD GLU A 30 -1.262 -16.876 -8.638 1.00 0.00 C ATOM 206 OE1 GLU A 30 -0.205 -16.227 -8.645 1.00 0.00 O ATOM 207 OE2 GLU A 30 -1.983 -17.126 -9.678 1.00 0.00 O ATOM 0 H GLU A 30 0.721 -18.604 -9.130 1.00 0.00 H new ATOM 0 HA GLU A 30 0.275 -20.055 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.088 -18.526 -5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.099 -17.446 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.605 -18.152 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.221 -16.648 -6.720 1.00 0.00 H new ATOM 215 N CYS A 31 -1.750 -21.062 -7.648 1.00 0.00 N ATOM 216 CA CYS A 31 -2.791 -21.800 -8.343 1.00 0.00 C ATOM 217 C CYS A 31 -3.932 -20.834 -8.665 1.00 0.00 C ATOM 218 O CYS A 31 -4.523 -20.242 -7.763 1.00 0.00 O ATOM 219 CB CYS A 31 -3.273 -23.001 -7.527 1.00 0.00 C ATOM 220 SG CYS A 31 -3.326 -24.495 -8.583 1.00 0.00 S ATOM 0 H CYS A 31 -1.503 -21.434 -6.731 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.392 -22.210 -9.271 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.606 -23.167 -6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.263 -22.799 -7.118 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.161 -25.354 -8.078 1.00 0.00 H new ATOM 225 N GLU A 32 -4.209 -20.704 -9.955 1.00 0.00 N ATOM 226 CA GLU A 32 -5.269 -19.819 -10.407 1.00 0.00 C ATOM 227 C GLU A 32 -6.632 -20.489 -10.227 1.00 0.00 C ATOM 228 O GLU A 32 -7.666 -19.892 -10.523 1.00 0.00 O ATOM 229 CB GLU A 32 -5.051 -19.403 -11.863 1.00 0.00 C ATOM 230 CG GLU A 32 -6.158 -18.458 -12.335 1.00 0.00 C ATOM 231 CD GLU A 32 -5.675 -17.581 -13.491 1.00 0.00 C ATOM 232 OE1 GLU A 32 -5.400 -18.094 -14.586 1.00 0.00 O ATOM 233 OE2 GLU A 32 -5.589 -16.322 -13.222 1.00 0.00 O ATOM 0 H GLU A 32 -3.718 -21.197 -10.701 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.247 -18.916 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.082 -18.913 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.028 -20.288 -12.498 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.025 -19.038 -12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.481 -17.828 -11.506 1.00 0.00 H new ATOM 241 N VAL A 33 -6.591 -21.721 -9.741 1.00 0.00 N ATOM 242 CA VAL A 33 -7.810 -22.479 -9.517 1.00 0.00 C ATOM 243 C VAL A 33 -8.077 -22.576 -8.014 1.00 0.00 C ATOM 244 O VAL A 33 -9.140 -23.033 -7.597 1.00 0.00 O ATOM 245 CB VAL A 33 -7.709 -23.847 -10.196 1.00 0.00 C ATOM 246 CG1 VAL A 33 -6.261 -24.162 -10.579 1.00 0.00 C ATOM 247 CG2 VAL A 33 -8.292 -24.945 -9.304 1.00 0.00 C ATOM 0 H VAL A 33 -5.732 -22.213 -9.496 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.663 -21.971 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.298 -23.812 -11.112 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.216 -25.139 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.893 -23.402 -11.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.641 -24.170 -9.683 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.208 -25.907 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.742 -24.980 -8.364 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.342 -24.731 -9.103 1.00 0.00 H new ATOM 257 N HIS A 34 -7.094 -22.137 -7.242 1.00 0.00 N ATOM 258 CA HIS A 34 -7.209 -22.168 -5.793 1.00 0.00 C ATOM 259 C HIS A 34 -6.846 -20.797 -5.220 1.00 0.00 C ATOM 260 O HIS A 34 -5.668 -20.481 -5.056 1.00 0.00 O ATOM 261 CB HIS A 34 -6.364 -23.300 -5.205 1.00 0.00 C ATOM 262 CG HIS A 34 -6.240 -24.506 -6.106 1.00 0.00 C ATOM 263 ND1 HIS A 34 -6.416 -25.833 -5.847 1.00 0.00 N flip ATOM 264 CD2 HIS A 34 -5.897 -24.410 -7.443 1.00 0.00 C flip ATOM 265 CE1 HIS A 34 -6.194 -26.512 -6.966 1.00 0.00 C flip ATOM 266 NE2 HIS A 34 -5.872 -25.631 -7.957 1.00 0.00 N flip ATOM 0 H HIS A 34 -6.214 -21.758 -7.592 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.240 -22.379 -5.511 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.367 -22.919 -4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.802 -23.611 -4.257 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.686 -23.495 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.258 -27.585 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.651 -25.870 -8.924 1.00 0.00 H new ATOM 274 N GLU A 35 -7.879 -20.019 -4.931 1.00 0.00 N ATOM 275 CA GLU A 35 -7.683 -18.689 -4.379 1.00 0.00 C ATOM 276 C GLU A 35 -7.211 -18.782 -2.927 1.00 0.00 C ATOM 277 O GLU A 35 -7.870 -19.401 -2.094 1.00 0.00 O ATOM 278 CB GLU A 35 -8.962 -17.857 -4.488 1.00 0.00 C ATOM 279 CG GLU A 35 -8.639 -16.365 -4.582 1.00 0.00 C ATOM 280 CD GLU A 35 -9.871 -15.515 -4.264 1.00 0.00 C ATOM 281 OE1 GLU A 35 -10.100 -15.168 -3.096 1.00 0.00 O ATOM 282 OE2 GLU A 35 -10.604 -15.215 -5.283 1.00 0.00 O ATOM 0 H GLU A 35 -8.854 -20.284 -5.069 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.911 -18.185 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.528 -18.166 -5.367 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.595 -18.042 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.835 -16.119 -3.889 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.279 -16.130 -5.584 1.00 0.00 H new ATOM 290 N GLY A 36 -6.072 -18.156 -2.668 1.00 0.00 N ATOM 291 CA GLY A 36 -5.503 -18.160 -1.331 1.00 0.00 C ATOM 292 C GLY A 36 -4.219 -18.990 -1.283 1.00 0.00 C ATOM 293 O GLY A 36 -3.341 -18.735 -0.460 1.00 0.00 O ATOM 0 H GLY A 36 -5.528 -17.643 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.291 -17.137 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.228 -18.564 -0.625 1.00 0.00 H new ATOM 297 N THR A 37 -4.150 -19.966 -2.176 1.00 0.00 N ATOM 298 CA THR A 37 -2.987 -20.835 -2.247 1.00 0.00 C ATOM 299 C THR A 37 -1.928 -20.235 -3.174 1.00 0.00 C ATOM 300 O THR A 37 -2.224 -19.884 -4.315 1.00 0.00 O ATOM 301 CB THR A 37 -3.460 -22.223 -2.682 1.00 0.00 C ATOM 302 OG1 THR A 37 -4.817 -22.022 -3.068 1.00 0.00 O ATOM 303 CG2 THR A 37 -3.547 -23.206 -1.513 1.00 0.00 C ATOM 0 H THR A 37 -4.880 -20.175 -2.857 1.00 0.00 H new ATOM 0 HA THR A 37 -2.505 -20.930 -1.274 1.00 0.00 H new ATOM 0 HB THR A 37 -2.780 -22.617 -3.437 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.848 -21.497 -3.895 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.887 -24.175 -1.877 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.564 -23.315 -1.056 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.252 -22.829 -0.772 1.00 0.00 H new ATOM 311 N TYR A 38 -0.716 -20.137 -2.649 1.00 0.00 N ATOM 312 CA TYR A 38 0.389 -19.586 -3.416 1.00 0.00 C ATOM 313 C TYR A 38 1.669 -20.393 -3.191 1.00 0.00 C ATOM 314 O TYR A 38 1.686 -21.325 -2.388 1.00 0.00 O ATOM 315 CB TYR A 38 0.598 -18.164 -2.891 1.00 0.00 C ATOM 316 CG TYR A 38 -0.251 -17.107 -3.600 1.00 0.00 C ATOM 317 CD1 TYR A 38 -1.624 -17.123 -3.467 1.00 0.00 C ATOM 318 CD2 TYR A 38 0.357 -16.139 -4.373 1.00 0.00 C ATOM 319 CE1 TYR A 38 -2.424 -16.128 -4.134 1.00 0.00 C ATOM 320 CE2 TYR A 38 -0.443 -15.144 -5.040 1.00 0.00 C ATOM 321 CZ TYR A 38 -1.793 -15.188 -4.888 1.00 0.00 C ATOM 322 OH TYR A 38 -2.548 -14.249 -5.518 1.00 0.00 O ATOM 0 H TYR A 38 -0.474 -20.430 -1.702 1.00 0.00 H new ATOM 0 HA TYR A 38 0.166 -19.610 -4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.369 -18.144 -1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.650 -17.900 -2.996 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.099 -17.882 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.432 -16.127 -4.478 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.500 -16.128 -4.038 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.020 -14.380 -5.647 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.964 -13.642 -6.019 1.00 0.00 H new ATOM 332 N PHE A 39 2.709 -20.007 -3.915 1.00 0.00 N ATOM 333 CA PHE A 39 3.990 -20.683 -3.805 1.00 0.00 C ATOM 334 C PHE A 39 5.076 -19.929 -4.574 1.00 0.00 C ATOM 335 O PHE A 39 4.951 -19.710 -5.779 1.00 0.00 O ATOM 336 CB PHE A 39 3.817 -22.073 -4.421 1.00 0.00 C ATOM 337 CG PHE A 39 3.872 -22.087 -5.950 1.00 0.00 C ATOM 338 CD1 PHE A 39 5.068 -22.214 -6.586 1.00 0.00 C ATOM 339 CD2 PHE A 39 2.726 -21.972 -6.673 1.00 0.00 C ATOM 340 CE1 PHE A 39 5.119 -22.227 -8.005 1.00 0.00 C ATOM 341 CE2 PHE A 39 2.777 -21.985 -8.092 1.00 0.00 C ATOM 342 CZ PHE A 39 3.973 -22.112 -8.728 1.00 0.00 C ATOM 0 H PHE A 39 2.691 -19.234 -4.580 1.00 0.00 H new ATOM 0 HA PHE A 39 4.294 -20.736 -2.759 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.595 -22.730 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.861 -22.486 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 39 5.978 -22.305 -6.012 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.777 -21.871 -6.168 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.068 -22.328 -8.510 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.867 -21.894 -8.666 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.012 -22.121 -9.807 1.00 0.00 H new ATOM 352 N SER A 40 6.118 -19.552 -3.848 1.00 0.00 N ATOM 353 CA SER A 40 7.226 -18.827 -4.447 1.00 0.00 C ATOM 354 C SER A 40 8.277 -19.811 -4.964 1.00 0.00 C ATOM 355 O SER A 40 8.514 -20.850 -4.350 1.00 0.00 O ATOM 356 CB SER A 40 7.854 -17.855 -3.447 1.00 0.00 C ATOM 357 OG SER A 40 6.928 -16.861 -3.014 1.00 0.00 O ATOM 0 H SER A 40 6.219 -19.735 -2.850 1.00 0.00 H new ATOM 0 HA SER A 40 6.841 -18.245 -5.284 1.00 0.00 H new ATOM 0 HB2 SER A 40 8.220 -18.410 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.717 -17.372 -3.905 1.00 0.00 H new ATOM 0 HG SER A 40 7.375 -16.245 -2.397 1.00 0.00 H new ATOM 363 N ASP A 41 8.880 -19.448 -6.086 1.00 0.00 N ATOM 364 CA ASP A 41 9.901 -20.286 -6.692 1.00 0.00 C ATOM 365 C ASP A 41 10.795 -20.867 -5.594 1.00 0.00 C ATOM 366 O ASP A 41 11.724 -20.207 -5.131 1.00 0.00 O ATOM 367 CB ASP A 41 10.785 -19.477 -7.643 1.00 0.00 C ATOM 368 CG ASP A 41 11.227 -18.112 -7.111 1.00 0.00 C ATOM 369 OD1 ASP A 41 11.425 -17.932 -5.900 1.00 0.00 O ATOM 370 OD2 ASP A 41 11.368 -17.197 -8.009 1.00 0.00 O ATOM 0 H ASP A 41 8.681 -18.585 -6.592 1.00 0.00 H new ATOM 0 HA ASP A 41 9.400 -21.077 -7.251 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.673 -20.064 -7.877 1.00 0.00 H new ATOM 0 HB3 ASP A 41 10.246 -19.328 -8.578 1.00 0.00 H new ATOM 376 N SER A 42 10.482 -22.096 -5.210 1.00 0.00 N ATOM 377 CA SER A 42 11.246 -22.773 -4.176 1.00 0.00 C ATOM 378 C SER A 42 12.630 -23.148 -4.708 1.00 0.00 C ATOM 379 O SER A 42 12.757 -23.636 -5.830 1.00 0.00 O ATOM 380 CB SER A 42 10.513 -24.021 -3.678 1.00 0.00 C ATOM 381 OG SER A 42 11.328 -24.811 -2.817 1.00 0.00 O ATOM 0 H SER A 42 9.710 -22.640 -5.596 1.00 0.00 H new ATOM 0 HA SER A 42 11.360 -22.091 -3.334 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.608 -23.723 -3.148 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.199 -24.622 -4.532 1.00 0.00 H new ATOM 0 HG SER A 42 10.824 -25.597 -2.519 1.00 0.00 H new ATOM 387 N GLY A 43 13.634 -22.905 -3.877 1.00 0.00 N ATOM 388 CA GLY A 43 15.004 -23.211 -4.251 1.00 0.00 C ATOM 389 C GLY A 43 15.805 -21.930 -4.497 1.00 0.00 C ATOM 390 O GLY A 43 17.023 -21.914 -4.332 1.00 0.00 O ATOM 0 H GLY A 43 13.526 -22.500 -2.947 1.00 0.00 H new ATOM 0 HA2 GLY A 43 15.478 -23.795 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 43 15.010 -23.826 -5.151 1.00 0.00 H new ATOM 394 N ASP A 44 15.086 -20.888 -4.887 1.00 0.00 N ATOM 395 CA ASP A 44 15.714 -19.606 -5.158 1.00 0.00 C ATOM 396 C ASP A 44 14.772 -18.480 -4.725 1.00 0.00 C ATOM 397 O ASP A 44 14.045 -17.924 -5.546 1.00 0.00 O ATOM 398 CB ASP A 44 15.998 -19.436 -6.652 1.00 0.00 C ATOM 399 CG ASP A 44 16.629 -20.652 -7.332 1.00 0.00 C ATOM 400 OD1 ASP A 44 15.939 -21.448 -7.985 1.00 0.00 O ATOM 401 OD2 ASP A 44 17.904 -20.767 -7.169 1.00 0.00 O ATOM 0 H ASP A 44 14.075 -20.905 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 44 16.653 -19.567 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.063 -19.199 -7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.659 -18.580 -6.786 1.00 0.00 H new ATOM 407 N ILE A 45 14.817 -18.178 -3.435 1.00 0.00 N ATOM 408 CA ILE A 45 13.977 -17.129 -2.883 1.00 0.00 C ATOM 409 C ILE A 45 14.516 -15.766 -3.322 1.00 0.00 C ATOM 410 O ILE A 45 13.744 -14.852 -3.606 1.00 0.00 O ATOM 411 CB ILE A 45 13.855 -17.283 -1.366 1.00 0.00 C ATOM 412 CG1 ILE A 45 12.883 -18.408 -1.005 1.00 0.00 C ATOM 413 CG2 ILE A 45 13.466 -15.957 -0.709 1.00 0.00 C ATOM 414 CD1 ILE A 45 11.441 -17.899 -0.978 1.00 0.00 C ATOM 0 H ILE A 45 15.422 -18.641 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 45 12.962 -17.210 -3.271 1.00 0.00 H new ATOM 0 HB ILE A 45 14.832 -17.563 -0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.973 -19.218 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 45 13.145 -18.821 -0.031 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.386 -16.095 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.228 -15.207 -0.924 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.507 -15.623 -1.104 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.771 -18.719 -0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.349 -17.106 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.174 -17.509 -1.960 1.00 0.00 H new ATOM 426 N SER A 46 15.837 -15.673 -3.362 1.00 0.00 N ATOM 427 CA SER A 46 16.488 -14.437 -3.762 1.00 0.00 C ATOM 428 C SER A 46 16.284 -14.198 -5.259 1.00 0.00 C ATOM 429 O SER A 46 16.258 -13.054 -5.711 1.00 0.00 O ATOM 430 CB SER A 46 17.981 -14.468 -3.428 1.00 0.00 C ATOM 431 OG SER A 46 18.585 -15.705 -3.796 1.00 0.00 O ATOM 0 H SER A 46 16.474 -16.433 -3.124 1.00 0.00 H new ATOM 0 HA SER A 46 16.035 -13.617 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 46 18.485 -13.651 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 46 18.117 -14.302 -2.359 1.00 0.00 H new ATOM 0 HG SER A 46 19.538 -15.684 -3.568 1.00 0.00 H new ATOM 437 N GLU A 47 16.144 -15.296 -5.987 1.00 0.00 N ATOM 438 CA GLU A 47 15.944 -15.220 -7.424 1.00 0.00 C ATOM 439 C GLU A 47 14.687 -14.408 -7.743 1.00 0.00 C ATOM 440 O GLU A 47 14.586 -13.806 -8.811 1.00 0.00 O ATOM 441 CB GLU A 47 15.864 -16.618 -8.041 1.00 0.00 C ATOM 442 CG GLU A 47 15.306 -16.558 -9.465 1.00 0.00 C ATOM 443 CD GLU A 47 15.568 -17.868 -10.212 1.00 0.00 C ATOM 444 OE1 GLU A 47 14.943 -18.893 -9.902 1.00 0.00 O ATOM 445 OE2 GLU A 47 16.455 -17.795 -11.145 1.00 0.00 O ATOM 0 H GLU A 47 16.165 -16.243 -5.609 1.00 0.00 H new ATOM 0 HA GLU A 47 16.802 -14.712 -7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.855 -17.071 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.230 -17.256 -7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.234 -16.362 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.765 -15.729 -10.005 1.00 0.00 H new ATOM 453 N ALA A 48 13.760 -14.417 -6.796 1.00 0.00 N ATOM 454 CA ALA A 48 12.514 -13.688 -6.962 1.00 0.00 C ATOM 455 C ALA A 48 12.804 -12.186 -6.972 1.00 0.00 C ATOM 456 O ALA A 48 12.207 -11.440 -7.747 1.00 0.00 O ATOM 457 CB ALA A 48 11.538 -14.086 -5.853 1.00 0.00 C ATOM 0 H ALA A 48 13.847 -14.917 -5.911 1.00 0.00 H new ATOM 0 HA ALA A 48 12.046 -13.940 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.603 -13.539 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.342 -15.157 -5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.972 -13.846 -4.883 1.00 0.00 H new ATOM 463 N GLU A 49 13.720 -11.787 -6.102 1.00 0.00 N ATOM 464 CA GLU A 49 14.096 -10.387 -6.001 1.00 0.00 C ATOM 465 C GLU A 49 14.962 -9.982 -7.196 1.00 0.00 C ATOM 466 O GLU A 49 14.901 -8.842 -7.653 1.00 0.00 O ATOM 467 CB GLU A 49 14.818 -10.107 -4.681 1.00 0.00 C ATOM 468 CG GLU A 49 16.333 -10.060 -4.884 1.00 0.00 C ATOM 469 CD GLU A 49 17.066 -10.050 -3.541 1.00 0.00 C ATOM 470 OE1 GLU A 49 16.548 -9.504 -2.556 1.00 0.00 O ATOM 471 OE2 GLU A 49 18.215 -10.637 -3.542 1.00 0.00 O ATOM 0 H GLU A 49 14.213 -12.409 -5.461 1.00 0.00 H new ATOM 0 HA GLU A 49 13.187 -9.785 -6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.473 -9.159 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.569 -10.881 -3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.652 -10.922 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 49 16.600 -9.170 -5.455 1.00 0.00 H new ATOM 479 N GLU A 50 15.748 -10.939 -7.667 1.00 0.00 N ATOM 480 CA GLU A 50 16.625 -10.697 -8.800 1.00 0.00 C ATOM 481 C GLU A 50 15.804 -10.514 -10.077 1.00 0.00 C ATOM 482 O GLU A 50 15.912 -9.488 -10.748 1.00 0.00 O ATOM 483 CB GLU A 50 17.642 -11.829 -8.958 1.00 0.00 C ATOM 484 CG GLU A 50 18.776 -11.420 -9.900 1.00 0.00 C ATOM 485 CD GLU A 50 18.316 -11.457 -11.359 1.00 0.00 C ATOM 486 OE1 GLU A 50 17.329 -12.134 -11.682 1.00 0.00 O ATOM 487 OE2 GLU A 50 19.024 -10.747 -12.172 1.00 0.00 O ATOM 0 H GLU A 50 15.796 -11.883 -7.285 1.00 0.00 H new ATOM 0 HA GLU A 50 17.181 -9.778 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.052 -12.093 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 50 17.145 -12.718 -9.346 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.119 -10.416 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.625 -12.090 -9.765 1.00 0.00 H new ATOM 495 N LEU A 51 15.002 -11.525 -10.376 1.00 0.00 N ATOM 496 CA LEU A 51 14.162 -11.489 -11.562 1.00 0.00 C ATOM 497 C LEU A 51 13.135 -10.364 -11.420 1.00 0.00 C ATOM 498 O LEU A 51 12.660 -9.823 -12.418 1.00 0.00 O ATOM 499 CB LEU A 51 13.539 -12.862 -11.819 1.00 0.00 C ATOM 500 CG LEU A 51 12.032 -12.971 -11.575 1.00 0.00 C ATOM 501 CD1 LEU A 51 11.692 -12.690 -10.110 1.00 0.00 C ATOM 502 CD2 LEU A 51 11.255 -12.062 -12.529 1.00 0.00 C ATOM 0 H LEU A 51 14.916 -12.374 -9.818 1.00 0.00 H new ATOM 0 HA LEU A 51 14.760 -11.266 -12.446 1.00 0.00 H new ATOM 0 HB2 LEU A 51 13.741 -13.143 -12.853 1.00 0.00 H new ATOM 0 HB3 LEU A 51 14.043 -13.592 -11.186 1.00 0.00 H new ATOM 0 HG LEU A 51 11.725 -13.995 -11.786 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.615 -12.774 -9.964 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.202 -13.413 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 51 12.016 -11.683 -9.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 10.187 -12.159 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.560 -11.027 -12.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.464 -12.352 -13.559 1.00 0.00 H new ATOM 514 N ALA A 52 12.822 -10.046 -10.173 1.00 0.00 N ATOM 515 CA ALA A 52 11.859 -8.995 -9.888 1.00 0.00 C ATOM 516 C ALA A 52 12.471 -7.639 -10.246 1.00 0.00 C ATOM 517 O ALA A 52 11.860 -6.849 -10.965 1.00 0.00 O ATOM 518 CB ALA A 52 11.436 -9.074 -8.420 1.00 0.00 C ATOM 0 H ALA A 52 13.218 -10.497 -9.348 1.00 0.00 H new ATOM 0 HA ALA A 52 10.961 -9.122 -10.493 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.714 -8.286 -8.206 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.982 -10.045 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.311 -8.947 -7.782 1.00 0.00 H new ATOM 524 N ARG A 53 13.669 -7.410 -9.729 1.00 0.00 N ATOM 525 CA ARG A 53 14.369 -6.163 -9.985 1.00 0.00 C ATOM 526 C ARG A 53 14.581 -5.972 -11.488 1.00 0.00 C ATOM 527 O ARG A 53 14.454 -4.861 -12.000 1.00 0.00 O ATOM 528 CB ARG A 53 15.726 -6.139 -9.279 1.00 0.00 C ATOM 529 CG ARG A 53 16.858 -6.468 -10.254 1.00 0.00 C ATOM 530 CD ARG A 53 18.203 -6.543 -9.529 1.00 0.00 C ATOM 531 NE ARG A 53 18.778 -5.187 -9.387 1.00 0.00 N ATOM 532 CZ ARG A 53 19.174 -4.428 -10.418 1.00 0.00 C ATOM 533 NH1 ARG A 53 19.061 -4.888 -11.671 1.00 0.00 N ATOM 534 NH2 ARG A 53 19.684 -3.209 -10.195 1.00 0.00 N ATOM 0 H ARG A 53 14.173 -8.067 -9.134 1.00 0.00 H new ATOM 0 HA ARG A 53 13.754 -5.352 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.894 -5.156 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.726 -6.858 -8.460 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.653 -7.418 -10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 53 16.903 -5.708 -11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.071 -6.996 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 53 18.890 -7.182 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 53 18.879 -4.806 -8.446 1.00 0.00 H new ATOM 0 HH11 ARG A 53 18.673 -5.816 -11.841 1.00 0.00 H new ATOM 0 HH12 ARG A 53 19.362 -4.310 -12.456 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.771 -2.859 -9.241 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.986 -2.631 -10.979 1.00 0.00 H new ATOM 548 N GLU A 54 14.899 -7.073 -12.153 1.00 0.00 N ATOM 549 CA GLU A 54 15.129 -7.041 -13.587 1.00 0.00 C ATOM 550 C GLU A 54 13.819 -6.764 -14.329 1.00 0.00 C ATOM 551 O GLU A 54 13.727 -5.809 -15.099 1.00 0.00 O ATOM 552 CB GLU A 54 15.768 -8.345 -14.070 1.00 0.00 C ATOM 553 CG GLU A 54 15.808 -8.403 -15.598 1.00 0.00 C ATOM 554 CD GLU A 54 16.753 -7.340 -16.163 1.00 0.00 C ATOM 555 OE1 GLU A 54 17.266 -6.503 -15.406 1.00 0.00 O ATOM 556 OE2 GLU A 54 16.948 -7.406 -17.436 1.00 0.00 O ATOM 0 H GLU A 54 15.003 -7.993 -11.725 1.00 0.00 H new ATOM 0 HA GLU A 54 15.826 -6.232 -13.805 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.780 -8.427 -13.673 1.00 0.00 H new ATOM 0 HB3 GLU A 54 15.204 -9.195 -13.685 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.134 -9.392 -15.919 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.805 -8.252 -15.998 1.00 0.00 H new ATOM 564 N LYS A 55 12.839 -7.617 -14.071 1.00 0.00 N ATOM 565 CA LYS A 55 11.539 -7.477 -14.704 1.00 0.00 C ATOM 566 C LYS A 55 11.049 -6.037 -14.540 1.00 0.00 C ATOM 567 O LYS A 55 10.665 -5.393 -15.516 1.00 0.00 O ATOM 568 CB LYS A 55 10.563 -8.524 -14.162 1.00 0.00 C ATOM 569 CG LYS A 55 9.248 -8.504 -14.944 1.00 0.00 C ATOM 570 CD LYS A 55 9.408 -9.186 -16.304 1.00 0.00 C ATOM 571 CE LYS A 55 8.153 -9.002 -17.160 1.00 0.00 C ATOM 572 NZ LYS A 55 7.124 -9.999 -16.793 1.00 0.00 N ATOM 0 H LYS A 55 12.919 -8.408 -13.432 1.00 0.00 H new ATOM 0 HA LYS A 55 11.614 -7.669 -15.774 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.014 -9.514 -14.227 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.366 -8.331 -13.107 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.471 -9.009 -14.369 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.921 -7.474 -15.086 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.271 -8.771 -16.824 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.603 -10.249 -16.161 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.757 -7.996 -17.024 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.407 -9.105 -18.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.206 -9.712 -17.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.390 -10.929 -17.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.052 -10.058 -15.757 1.00 0.00 H new ATOM 586 N PHE A 56 11.079 -5.573 -13.300 1.00 0.00 N ATOM 587 CA PHE A 56 10.643 -4.221 -12.996 1.00 0.00 C ATOM 588 C PHE A 56 11.654 -3.191 -13.506 1.00 0.00 C ATOM 589 O PHE A 56 11.280 -2.079 -13.874 1.00 0.00 O ATOM 590 CB PHE A 56 10.548 -4.113 -11.473 1.00 0.00 C ATOM 591 CG PHE A 56 9.309 -3.364 -10.978 1.00 0.00 C ATOM 592 CD1 PHE A 56 8.741 -2.402 -11.753 1.00 0.00 C ATOM 593 CD2 PHE A 56 8.774 -3.662 -9.763 1.00 0.00 C ATOM 594 CE1 PHE A 56 7.591 -1.707 -11.294 1.00 0.00 C ATOM 595 CE2 PHE A 56 7.625 -2.966 -9.304 1.00 0.00 C ATOM 596 CZ PHE A 56 7.057 -2.004 -10.079 1.00 0.00 C ATOM 0 H PHE A 56 11.399 -6.109 -12.493 1.00 0.00 H new ATOM 0 HA PHE A 56 9.686 -4.022 -13.479 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.547 -5.116 -11.047 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.439 -3.608 -11.099 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.165 -2.166 -12.718 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.223 -4.428 -9.148 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.140 -0.943 -11.910 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.202 -3.201 -8.339 1.00 0.00 H new ATOM 0 HZ PHE A 56 6.182 -1.476 -9.730 1.00 0.00 H new ATOM 606 N GLU A 57 12.914 -3.599 -13.510 1.00 0.00 N ATOM 607 CA GLU A 57 13.981 -2.726 -13.969 1.00 0.00 C ATOM 608 C GLU A 57 13.679 -2.213 -15.378 1.00 0.00 C ATOM 609 O GLU A 57 14.082 -1.109 -15.741 1.00 0.00 O ATOM 610 CB GLU A 57 15.333 -3.442 -13.924 1.00 0.00 C ATOM 611 CG GLU A 57 16.316 -2.819 -14.917 1.00 0.00 C ATOM 612 CD GLU A 57 16.243 -3.520 -16.275 1.00 0.00 C ATOM 613 OE1 GLU A 57 15.269 -4.236 -16.551 1.00 0.00 O ATOM 614 OE2 GLU A 57 17.245 -3.300 -17.057 1.00 0.00 O ATOM 0 H GLU A 57 13.220 -4.522 -13.203 1.00 0.00 H new ATOM 0 HA GLU A 57 14.038 -1.870 -13.297 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.744 -3.387 -12.916 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.197 -4.498 -14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.093 -1.759 -15.039 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.330 -2.888 -14.522 1.00 0.00 H new ATOM 622 N LYS A 58 12.972 -3.040 -16.135 1.00 0.00 N ATOM 623 CA LYS A 58 12.611 -2.683 -17.497 1.00 0.00 C ATOM 624 C LYS A 58 11.379 -1.776 -17.473 1.00 0.00 C ATOM 625 O LYS A 58 10.711 -1.603 -18.491 1.00 0.00 O ATOM 626 CB LYS A 58 12.432 -3.941 -18.350 1.00 0.00 C ATOM 627 CG LYS A 58 12.212 -3.579 -19.820 1.00 0.00 C ATOM 628 CD LYS A 58 13.215 -2.520 -20.281 1.00 0.00 C ATOM 629 CE LYS A 58 13.363 -2.531 -21.804 1.00 0.00 C ATOM 630 NZ LYS A 58 14.634 -1.888 -22.205 1.00 0.00 N ATOM 0 H LYS A 58 12.640 -3.955 -15.831 1.00 0.00 H new ATOM 0 HA LYS A 58 13.414 -2.117 -17.968 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.312 -4.577 -18.256 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.582 -4.516 -17.982 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.312 -4.472 -20.437 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.197 -3.208 -19.959 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.886 -1.535 -19.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 14.184 -2.705 -19.817 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.336 -3.557 -22.171 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.523 -2.007 -22.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.719 -1.904 -23.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.645 -0.903 -21.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.432 -2.405 -21.784 1.00 0.00 H new ATOM 754 N VAL A 67 15.572 -0.218 -6.180 1.00 0.00 N ATOM 755 CA VAL A 67 15.820 -1.593 -6.579 1.00 0.00 C ATOM 756 C VAL A 67 16.144 -2.429 -5.339 1.00 0.00 C ATOM 757 O VAL A 67 15.726 -3.581 -5.236 1.00 0.00 O ATOM 758 CB VAL A 67 16.925 -1.638 -7.636 1.00 0.00 C ATOM 759 CG1 VAL A 67 18.102 -0.745 -7.239 1.00 0.00 C ATOM 760 CG2 VAL A 67 17.387 -3.076 -7.885 1.00 0.00 C ATOM 0 HA VAL A 67 14.931 -2.025 -7.038 1.00 0.00 H new ATOM 0 HB VAL A 67 16.512 -1.252 -8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 67 18.873 -0.796 -8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 67 17.759 0.285 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 67 18.514 -1.087 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.173 -3.080 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 67 17.773 -3.500 -6.958 1.00 0.00 H new ATOM 0 HG23 VAL A 67 16.545 -3.673 -8.234 1.00 0.00 H new ATOM 770 N GLU A 68 16.887 -1.816 -4.429 1.00 0.00 N ATOM 771 CA GLU A 68 17.271 -2.489 -3.200 1.00 0.00 C ATOM 772 C GLU A 68 16.054 -2.673 -2.292 1.00 0.00 C ATOM 773 O GLU A 68 15.902 -3.714 -1.655 1.00 0.00 O ATOM 774 CB GLU A 68 18.383 -1.723 -2.480 1.00 0.00 C ATOM 775 CG GLU A 68 19.762 -2.159 -2.979 1.00 0.00 C ATOM 776 CD GLU A 68 20.176 -3.491 -2.352 1.00 0.00 C ATOM 777 OE1 GLU A 68 20.646 -4.392 -3.063 1.00 0.00 O ATOM 778 OE2 GLU A 68 19.996 -3.573 -1.077 1.00 0.00 O ATOM 0 H GLU A 68 17.233 -0.861 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 68 17.660 -3.475 -3.455 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.256 -0.653 -2.642 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.310 -1.894 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.747 -2.253 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.499 -1.394 -2.736 1.00 0.00 H new ATOM 786 N GLU A 69 15.219 -1.645 -2.261 1.00 0.00 N ATOM 787 CA GLU A 69 14.019 -1.680 -1.441 1.00 0.00 C ATOM 788 C GLU A 69 12.963 -2.580 -2.084 1.00 0.00 C ATOM 789 O GLU A 69 12.157 -3.194 -1.386 1.00 0.00 O ATOM 790 CB GLU A 69 13.472 -0.270 -1.211 1.00 0.00 C ATOM 791 CG GLU A 69 14.502 0.609 -0.499 1.00 0.00 C ATOM 792 CD GLU A 69 14.753 0.116 0.927 1.00 0.00 C ATOM 793 OE1 GLU A 69 13.797 -0.212 1.646 1.00 0.00 O ATOM 794 OE2 GLU A 69 15.992 0.079 1.282 1.00 0.00 O ATOM 0 H GLU A 69 15.349 -0.783 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 69 14.279 -2.097 -0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.203 0.180 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.560 -0.322 -0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.437 0.605 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.150 1.640 -0.474 1.00 0.00 H new ATOM 802 N LEU A 70 13.000 -2.630 -3.408 1.00 0.00 N ATOM 803 CA LEU A 70 12.055 -3.445 -4.153 1.00 0.00 C ATOM 804 C LEU A 70 12.407 -4.922 -3.969 1.00 0.00 C ATOM 805 O LEU A 70 11.565 -5.719 -3.557 1.00 0.00 O ATOM 806 CB LEU A 70 12.004 -3.002 -5.616 1.00 0.00 C ATOM 807 CG LEU A 70 11.216 -3.909 -6.564 1.00 0.00 C ATOM 808 CD1 LEU A 70 10.515 -3.091 -7.650 1.00 0.00 C ATOM 809 CD2 LEU A 70 12.115 -4.997 -7.156 1.00 0.00 C ATOM 0 H LEU A 70 13.669 -2.119 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 70 11.045 -3.308 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.571 -2.003 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.026 -2.922 -5.987 1.00 0.00 H new ATOM 0 HG LEU A 70 10.439 -4.412 -5.988 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.963 -3.760 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.824 -2.387 -7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.258 -2.543 -8.229 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.530 -5.627 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.929 -4.533 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.527 -5.606 -6.351 1.00 0.00 H new ATOM 821 N VAL A 71 13.654 -5.244 -4.283 1.00 0.00 N ATOM 822 CA VAL A 71 14.127 -6.612 -4.158 1.00 0.00 C ATOM 823 C VAL A 71 13.882 -7.104 -2.730 1.00 0.00 C ATOM 824 O VAL A 71 13.339 -8.189 -2.528 1.00 0.00 O ATOM 825 CB VAL A 71 15.597 -6.697 -4.575 1.00 0.00 C ATOM 826 CG1 VAL A 71 15.747 -6.537 -6.089 1.00 0.00 C ATOM 827 CG2 VAL A 71 16.440 -5.662 -3.828 1.00 0.00 C ATOM 0 H VAL A 71 14.350 -4.581 -4.623 1.00 0.00 H new ATOM 0 HA VAL A 71 13.573 -7.270 -4.828 1.00 0.00 H new ATOM 0 HB VAL A 71 15.965 -7.687 -4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.801 -6.601 -6.359 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.194 -7.328 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.353 -5.567 -6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 71 17.480 -5.744 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 71 16.071 -4.661 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 16.371 -5.842 -2.755 1.00 0.00 H new ATOM 837 N LYS A 72 14.293 -6.281 -1.776 1.00 0.00 N ATOM 838 CA LYS A 72 14.124 -6.619 -0.373 1.00 0.00 C ATOM 839 C LYS A 72 12.632 -6.730 -0.056 1.00 0.00 C ATOM 840 O LYS A 72 12.227 -7.556 0.760 1.00 0.00 O ATOM 841 CB LYS A 72 14.869 -5.617 0.512 1.00 0.00 C ATOM 842 CG LYS A 72 13.931 -4.508 0.992 1.00 0.00 C ATOM 843 CD LYS A 72 13.182 -4.932 2.257 1.00 0.00 C ATOM 844 CE LYS A 72 14.006 -4.628 3.510 1.00 0.00 C ATOM 845 NZ LYS A 72 14.785 -5.817 3.920 1.00 0.00 N ATOM 0 H LYS A 72 14.742 -5.381 -1.947 1.00 0.00 H new ATOM 0 HA LYS A 72 14.568 -7.591 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.298 -6.133 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.699 -5.181 -0.044 1.00 0.00 H new ATOM 0 HG2 LYS A 72 14.504 -3.603 1.191 1.00 0.00 H new ATOM 0 HG3 LYS A 72 13.216 -4.266 0.206 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.227 -4.410 2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 72 12.961 -5.998 2.213 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.680 -3.794 3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.345 -4.321 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.901 -5.817 4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.282 -6.679 3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.721 -5.792 3.467 1.00 0.00 H new ATOM 859 N LYS A 73 11.854 -5.886 -0.717 1.00 0.00 N ATOM 860 CA LYS A 73 10.415 -5.879 -0.516 1.00 0.00 C ATOM 861 C LYS A 73 9.805 -7.113 -1.183 1.00 0.00 C ATOM 862 O LYS A 73 8.762 -7.604 -0.753 1.00 0.00 O ATOM 863 CB LYS A 73 9.813 -4.558 -0.999 1.00 0.00 C ATOM 864 CG LYS A 73 9.962 -3.466 0.063 1.00 0.00 C ATOM 865 CD LYS A 73 9.634 -2.089 -0.516 1.00 0.00 C ATOM 866 CE LYS A 73 10.068 -0.975 0.439 1.00 0.00 C ATOM 867 NZ LYS A 73 9.959 0.345 -0.222 1.00 0.00 N ATOM 0 H LYS A 73 12.193 -5.202 -1.393 1.00 0.00 H new ATOM 0 HA LYS A 73 10.179 -5.941 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.306 -4.245 -1.919 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.758 -4.700 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.300 -3.678 0.903 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.981 -3.468 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.135 -1.966 -1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.563 -2.015 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.447 -0.993 1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.096 -1.144 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.289 1.087 0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.544 0.352 -1.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.967 0.525 -0.477 1.00 0.00 H new ATOM 881 N VAL A 74 10.481 -7.579 -2.223 1.00 0.00 N ATOM 882 CA VAL A 74 10.019 -8.747 -2.953 1.00 0.00 C ATOM 883 C VAL A 74 10.151 -9.985 -2.064 1.00 0.00 C ATOM 884 O VAL A 74 9.189 -10.730 -1.884 1.00 0.00 O ATOM 885 CB VAL A 74 10.782 -8.875 -4.273 1.00 0.00 C ATOM 886 CG1 VAL A 74 10.409 -10.169 -4.999 1.00 0.00 C ATOM 887 CG2 VAL A 74 10.541 -7.656 -5.166 1.00 0.00 C ATOM 0 H VAL A 74 11.345 -7.169 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 74 8.965 -8.643 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 74 11.846 -8.916 -4.042 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.965 -10.235 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.655 -11.024 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.340 -10.172 -5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 74 11.095 -7.772 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.477 -7.570 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.880 -6.756 -4.653 1.00 0.00 H new ATOM 897 N VAL A 75 11.350 -10.166 -1.531 1.00 0.00 N ATOM 898 CA VAL A 75 11.621 -11.301 -0.665 1.00 0.00 C ATOM 899 C VAL A 75 10.777 -11.180 0.606 1.00 0.00 C ATOM 900 O VAL A 75 10.319 -12.184 1.150 1.00 0.00 O ATOM 901 CB VAL A 75 13.121 -11.396 -0.379 1.00 0.00 C ATOM 902 CG1 VAL A 75 13.936 -11.187 -1.657 1.00 0.00 C ATOM 903 CG2 VAL A 75 13.537 -10.400 0.705 1.00 0.00 C ATOM 0 H VAL A 75 12.145 -9.546 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 75 11.338 -12.232 -1.157 1.00 0.00 H new ATOM 0 HB VAL A 75 13.329 -12.400 -0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 75 14.999 -11.259 -1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 75 13.670 -11.951 -2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.720 -10.201 -2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 14.608 -10.488 0.889 1.00 0.00 H new ATOM 0 HG22 VAL A 75 13.308 -9.387 0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 75 12.992 -10.614 1.624 1.00 0.00 H new ATOM 913 N ALA A 76 10.597 -9.942 1.042 1.00 0.00 N ATOM 914 CA ALA A 76 9.816 -9.676 2.239 1.00 0.00 C ATOM 915 C ALA A 76 8.399 -10.221 2.049 1.00 0.00 C ATOM 916 O ALA A 76 7.920 -11.010 2.862 1.00 0.00 O ATOM 917 CB ALA A 76 9.829 -8.175 2.534 1.00 0.00 C ATOM 0 H ALA A 76 10.978 -9.112 0.588 1.00 0.00 H new ATOM 0 HA ALA A 76 10.251 -10.181 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.243 -7.975 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.856 -7.844 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.397 -7.635 1.691 1.00 0.00 H new ATOM 923 N VAL A 77 7.768 -9.778 0.972 1.00 0.00 N ATOM 924 CA VAL A 77 6.416 -10.211 0.666 1.00 0.00 C ATOM 925 C VAL A 77 6.418 -11.714 0.382 1.00 0.00 C ATOM 926 O VAL A 77 5.512 -12.431 0.803 1.00 0.00 O ATOM 927 CB VAL A 77 5.851 -9.385 -0.492 1.00 0.00 C ATOM 928 CG1 VAL A 77 5.104 -10.275 -1.487 1.00 0.00 C ATOM 929 CG2 VAL A 77 4.950 -8.262 0.024 1.00 0.00 C ATOM 0 H VAL A 77 8.168 -9.123 0.300 1.00 0.00 H new ATOM 0 HA VAL A 77 5.759 -10.042 1.519 1.00 0.00 H new ATOM 0 HB VAL A 77 6.689 -8.927 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.713 -9.663 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.787 -11.022 -1.891 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.279 -10.775 -0.980 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.562 -7.691 -0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.120 -8.691 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.526 -7.603 0.674 1.00 0.00 H new ATOM 939 N CYS A 78 7.448 -12.148 -0.331 1.00 0.00 N ATOM 940 CA CYS A 78 7.580 -13.553 -0.676 1.00 0.00 C ATOM 941 C CYS A 78 7.476 -14.375 0.610 1.00 0.00 C ATOM 942 O CYS A 78 6.710 -15.335 0.677 1.00 0.00 O ATOM 943 CB CYS A 78 8.884 -13.831 -1.427 1.00 0.00 C ATOM 944 SG CYS A 78 9.133 -15.635 -1.603 1.00 0.00 S ATOM 0 H CYS A 78 8.198 -11.551 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 78 6.778 -13.840 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 78 8.854 -13.362 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 78 9.724 -13.390 -0.890 1.00 0.00 H new ATOM 0 HG CYS A 78 9.796 -15.877 -2.695 1.00 0.00 H new ATOM 950 N GLU A 79 8.258 -13.969 1.599 1.00 0.00 N ATOM 951 CA GLU A 79 8.264 -14.656 2.879 1.00 0.00 C ATOM 952 C GLU A 79 6.953 -14.400 3.625 1.00 0.00 C ATOM 953 O GLU A 79 6.443 -15.283 4.314 1.00 0.00 O ATOM 954 CB GLU A 79 9.467 -14.232 3.724 1.00 0.00 C ATOM 955 CG GLU A 79 9.019 -13.691 5.083 1.00 0.00 C ATOM 956 CD GLU A 79 10.224 -13.300 5.942 1.00 0.00 C ATOM 957 OE1 GLU A 79 11.374 -13.511 5.528 1.00 0.00 O ATOM 958 OE2 GLU A 79 9.933 -12.759 7.076 1.00 0.00 O ATOM 0 H GLU A 79 8.892 -13.172 1.540 1.00 0.00 H new ATOM 0 HA GLU A 79 8.351 -15.727 2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.132 -15.083 3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.037 -13.468 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.374 -12.824 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.428 -14.445 5.602 1.00 0.00 H new ATOM 966 N GLU A 80 6.444 -13.187 3.462 1.00 0.00 N ATOM 967 CA GLU A 80 5.202 -12.804 4.111 1.00 0.00 C ATOM 968 C GLU A 80 4.040 -13.640 3.571 1.00 0.00 C ATOM 969 O GLU A 80 3.001 -13.759 4.220 1.00 0.00 O ATOM 970 CB GLU A 80 4.929 -11.309 3.934 1.00 0.00 C ATOM 971 CG GLU A 80 4.040 -10.776 5.060 1.00 0.00 C ATOM 972 CD GLU A 80 4.075 -9.247 5.110 1.00 0.00 C ATOM 973 OE1 GLU A 80 3.312 -8.586 4.390 1.00 0.00 O ATOM 974 OE2 GLU A 80 4.934 -8.748 5.933 1.00 0.00 O ATOM 0 H GLU A 80 6.869 -12.457 2.890 1.00 0.00 H new ATOM 0 HA GLU A 80 5.299 -12.999 5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.872 -10.763 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.447 -11.135 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.015 -11.115 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.374 -11.182 6.015 1.00 0.00 H new ATOM 982 N LEU A 81 4.254 -14.199 2.389 1.00 0.00 N ATOM 983 CA LEU A 81 3.238 -15.021 1.754 1.00 0.00 C ATOM 984 C LEU A 81 3.337 -16.451 2.290 1.00 0.00 C ATOM 985 O LEU A 81 2.397 -17.233 2.159 1.00 0.00 O ATOM 986 CB LEU A 81 3.346 -14.926 0.231 1.00 0.00 C ATOM 987 CG LEU A 81 2.580 -13.775 -0.425 1.00 0.00 C ATOM 988 CD1 LEU A 81 2.658 -13.864 -1.950 1.00 0.00 C ATOM 989 CD2 LEU A 81 1.134 -13.726 0.073 1.00 0.00 C ATOM 0 H LEU A 81 5.117 -14.099 1.854 1.00 0.00 H new ATOM 0 HA LEU A 81 2.242 -14.655 2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.399 -14.833 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.991 -15.863 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 81 3.054 -12.838 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.106 -13.035 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.700 -13.814 -2.265 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.224 -14.807 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.611 -12.899 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.633 -14.663 -0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.126 -13.581 1.153 1.00 0.00 H new ATOM 1001 N GLY A 82 4.484 -16.749 2.882 1.00 0.00 N ATOM 1002 CA GLY A 82 4.718 -18.071 3.437 1.00 0.00 C ATOM 1003 C GLY A 82 3.997 -19.144 2.621 1.00 0.00 C ATOM 1004 O GLY A 82 3.294 -19.986 3.179 1.00 0.00 O ATOM 0 H GLY A 82 5.261 -16.098 2.989 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.788 -18.279 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.373 -18.102 4.470 1.00 0.00 H new ATOM 1008 N ALA A 83 4.195 -19.081 1.312 1.00 0.00 N ATOM 1009 CA ALA A 83 3.572 -20.037 0.413 1.00 0.00 C ATOM 1010 C ALA A 83 4.651 -20.706 -0.441 1.00 0.00 C ATOM 1011 O ALA A 83 5.549 -20.036 -0.949 1.00 0.00 O ATOM 1012 CB ALA A 83 2.514 -19.327 -0.434 1.00 0.00 C ATOM 0 H ALA A 83 4.779 -18.382 0.853 1.00 0.00 H new ATOM 0 HA ALA A 83 3.066 -20.821 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.047 -20.044 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.755 -18.895 0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.985 -18.535 -1.016 1.00 0.00 H new ATOM 1018 N GLU A 84 4.528 -22.018 -0.572 1.00 0.00 N ATOM 1019 CA GLU A 84 5.481 -22.785 -1.356 1.00 0.00 C ATOM 1020 C GLU A 84 4.783 -23.964 -2.036 1.00 0.00 C ATOM 1021 O GLU A 84 5.405 -24.993 -2.296 1.00 0.00 O ATOM 1022 CB GLU A 84 6.646 -23.264 -0.487 1.00 0.00 C ATOM 1023 CG GLU A 84 6.183 -24.326 0.513 1.00 0.00 C ATOM 1024 CD GLU A 84 7.359 -24.849 1.341 1.00 0.00 C ATOM 1025 OE1 GLU A 84 7.495 -26.068 1.523 1.00 0.00 O ATOM 1026 OE2 GLU A 84 8.148 -23.939 1.802 1.00 0.00 O ATOM 0 H GLU A 84 3.782 -22.570 -0.148 1.00 0.00 H new ATOM 0 HA GLU A 84 5.891 -22.136 -2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.432 -23.674 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.077 -22.418 0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.427 -23.903 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.713 -25.152 -0.020 1.00 0.00 H new ATOM 1034 N GLU A 85 3.500 -23.775 -2.306 1.00 0.00 N ATOM 1035 CA GLU A 85 2.710 -24.810 -2.951 1.00 0.00 C ATOM 1036 C GLU A 85 1.221 -24.593 -2.674 1.00 0.00 C ATOM 1037 O GLU A 85 0.853 -24.036 -1.640 1.00 0.00 O ATOM 1038 CB GLU A 85 3.155 -26.202 -2.496 1.00 0.00 C ATOM 1039 CG GLU A 85 4.103 -26.835 -3.516 1.00 0.00 C ATOM 1040 CD GLU A 85 3.533 -28.149 -4.054 1.00 0.00 C ATOM 1041 OE1 GLU A 85 4.030 -29.230 -3.705 1.00 0.00 O ATOM 1042 OE2 GLU A 85 2.535 -28.020 -4.862 1.00 0.00 O ATOM 0 H GLU A 85 2.987 -22.920 -2.090 1.00 0.00 H new ATOM 0 HA GLU A 85 2.872 -24.745 -4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.651 -26.131 -1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.282 -26.841 -2.360 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.270 -26.142 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.072 -27.018 -3.052 1.00 0.00 H new ATOM 1050 N CYS A 86 0.405 -25.043 -3.615 1.00 0.00 N ATOM 1051 CA CYS A 86 -1.036 -24.904 -3.485 1.00 0.00 C ATOM 1052 C CYS A 86 -1.597 -26.216 -2.932 1.00 0.00 C ATOM 1053 O CYS A 86 -1.983 -27.101 -3.695 1.00 0.00 O ATOM 1054 CB CYS A 86 -1.689 -24.519 -4.814 1.00 0.00 C ATOM 1055 SG CYS A 86 -3.471 -24.933 -4.778 1.00 0.00 S ATOM 0 H CYS A 86 0.714 -25.504 -4.471 1.00 0.00 H new ATOM 0 HA CYS A 86 -1.265 -24.092 -2.794 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.559 -23.452 -4.997 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.201 -25.045 -5.634 1.00 0.00 H new ATOM 0 HG CYS A 86 -3.683 -26.000 -5.489 1.00 0.00 H new ATOM 1060 N PHE A 87 -1.624 -26.300 -1.610 1.00 0.00 N ATOM 1061 CA PHE A 87 -2.132 -27.488 -0.946 1.00 0.00 C ATOM 1062 C PHE A 87 -3.554 -27.811 -1.410 1.00 0.00 C ATOM 1063 O PHE A 87 -3.967 -28.969 -1.398 1.00 0.00 O ATOM 1064 CB PHE A 87 -2.153 -27.188 0.554 1.00 0.00 C ATOM 1065 CG PHE A 87 -2.638 -28.356 1.415 1.00 0.00 C ATOM 1066 CD1 PHE A 87 -1.990 -29.551 1.368 1.00 0.00 C ATOM 1067 CD2 PHE A 87 -3.717 -28.199 2.228 1.00 0.00 C ATOM 1068 CE1 PHE A 87 -2.439 -30.635 2.168 1.00 0.00 C ATOM 1069 CE2 PHE A 87 -4.166 -29.283 3.028 1.00 0.00 C ATOM 1070 CZ PHE A 87 -3.518 -30.478 2.981 1.00 0.00 C ATOM 0 H PHE A 87 -1.302 -25.564 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 87 -1.499 -28.344 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -1.149 -26.908 0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -2.796 -26.326 0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -1.134 -29.676 0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.232 -27.250 2.265 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.924 -31.584 2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.022 -29.158 3.674 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.860 -31.302 3.589 1.00 0.00 H new ATOM 1080 N SER A 88 -4.264 -26.765 -1.808 1.00 0.00 N ATOM 1081 CA SER A 88 -5.631 -26.922 -2.274 1.00 0.00 C ATOM 1082 C SER A 88 -5.670 -27.882 -3.465 1.00 0.00 C ATOM 1083 O SER A 88 -6.734 -28.379 -3.831 1.00 0.00 O ATOM 1084 CB SER A 88 -6.239 -25.572 -2.661 1.00 0.00 C ATOM 1085 OG SER A 88 -7.629 -25.679 -2.957 1.00 0.00 O ATOM 0 H SER A 88 -3.918 -25.806 -1.817 1.00 0.00 H new ATOM 0 HA SER A 88 -6.225 -27.338 -1.460 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.095 -24.862 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.713 -25.172 -3.528 1.00 0.00 H new ATOM 0 HG SER A 88 -7.751 -25.777 -3.924 1.00 0.00 H new ATOM 1091 N CYS A 89 -4.497 -28.115 -4.036 1.00 0.00 N ATOM 1092 CA CYS A 89 -4.384 -29.006 -5.177 1.00 0.00 C ATOM 1093 C CYS A 89 -4.956 -30.369 -4.781 1.00 0.00 C ATOM 1094 O CYS A 89 -5.310 -31.172 -5.642 1.00 0.00 O ATOM 1095 CB CYS A 89 -2.940 -29.115 -5.670 1.00 0.00 C ATOM 1096 SG CYS A 89 -2.651 -27.925 -7.029 1.00 0.00 S ATOM 0 H CYS A 89 -3.617 -27.702 -3.729 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.954 -28.602 -6.014 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -2.251 -28.916 -4.849 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -2.741 -30.129 -6.015 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.421 -28.024 -7.439 1.00 0.00 H new