USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 556 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 57 HIS : no HD1:sc= -0.332! C(o=-14!,f=-26!) USER MOD Set 1.2: A 59 HIS :FLIP no HD1:sc= -14.2! C(o=-15!,f=-14!) USER MOD Set 1.3: A 85 SER OG : rot -106:sc= 0.594 USER MOD Set 2.1: A 31 THR OG1 : rot 129:sc= 0.571 USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.261 X(o=0.31,f=0.19) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 119:sc= 0.849 USER MOD Single : A 23 SER OG : rot 180:sc= -1.46 USER MOD Single : A 36 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 38 MET CE :methyl -145:sc= -0.18 (180deg=-2.91!) USER MOD Single : A 56 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0.011) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -9.557 -14.752 2.471 1.00 0.00 N ATOM 67 CA ARG A 8 -8.319 -14.654 1.717 1.00 0.00 C ATOM 68 C ARG A 8 -7.526 -13.422 2.158 1.00 0.00 C ATOM 69 O ARG A 8 -8.046 -12.567 2.873 1.00 0.00 O ATOM 70 CB ARG A 8 -8.594 -14.565 0.215 1.00 0.00 C ATOM 71 CG ARG A 8 -8.356 -15.913 -0.467 1.00 0.00 C ATOM 72 CD ARG A 8 -9.173 -16.028 -1.756 1.00 0.00 C ATOM 73 NE ARG A 8 -8.871 -17.307 -2.435 1.00 0.00 N ATOM 74 CZ ARG A 8 -9.365 -18.494 -2.056 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.188 -18.571 -1.002 1.00 0.00 N ATOM 76 NH2 ARG A 8 -9.036 -19.603 -2.732 1.00 0.00 N ATOM 0 HA ARG A 8 -7.738 -15.555 1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.623 -14.246 0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.949 -13.808 -0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.296 -16.028 -0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.627 -16.721 0.213 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.237 -15.971 -1.528 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.943 -15.193 -2.417 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.248 -17.284 -3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.439 -17.726 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.564 -19.474 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.410 -19.544 -3.535 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.412 -20.506 -2.444 1.00 0.00 H new ATOM 90 N PRO A 9 -6.246 -13.369 1.701 1.00 0.00 N ATOM 91 CA PRO A 9 -5.376 -12.256 2.040 1.00 0.00 C ATOM 92 C PRO A 9 -5.749 -11.005 1.242 1.00 0.00 C ATOM 93 O PRO A 9 -6.574 -11.068 0.332 1.00 0.00 O ATOM 94 CB PRO A 9 -3.970 -12.751 1.744 1.00 0.00 C ATOM 95 CG PRO A 9 -4.135 -13.945 0.818 1.00 0.00 C ATOM 96 CD PRO A 9 -5.596 -14.363 0.853 1.00 0.00 C ATOM 0 HA PRO A 9 -5.467 -11.955 3.084 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.372 -11.971 1.273 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.455 -13.036 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.837 -13.685 -0.198 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.495 -14.767 1.137 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.029 -14.374 -0.147 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.711 -15.367 1.261 1.00 0.00 H new ATOM 104 N HIS A 10 -5.124 -9.897 1.613 1.00 0.00 N ATOM 105 CA HIS A 10 -5.380 -8.633 0.943 1.00 0.00 C ATOM 106 C HIS A 10 -4.100 -8.145 0.261 1.00 0.00 C ATOM 107 O HIS A 10 -3.119 -7.828 0.930 1.00 0.00 O ATOM 108 CB HIS A 10 -5.960 -7.608 1.919 1.00 0.00 C ATOM 109 CG HIS A 10 -7.209 -8.074 2.628 1.00 0.00 C ATOM 110 ND1 HIS A 10 -8.461 -8.041 2.040 1.00 0.00 N ATOM 111 CD2 HIS A 10 -7.386 -8.584 3.881 1.00 0.00 C ATOM 112 CE1 HIS A 10 -9.344 -8.511 2.909 1.00 0.00 C ATOM 113 NE2 HIS A 10 -8.676 -8.846 4.049 1.00 0.00 N ATOM 0 H HIS A 10 -4.441 -9.848 2.369 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.132 -8.775 0.167 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.203 -7.361 2.663 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.184 -6.690 1.375 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.608 -8.747 4.612 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.406 -8.611 2.743 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.098 -9.234 4.892 1.00 0.00 H new ATOM 121 N VAL A 11 -4.153 -8.101 -1.062 1.00 0.00 N ATOM 122 CA VAL A 11 -3.010 -7.656 -1.842 1.00 0.00 C ATOM 123 C VAL A 11 -3.071 -6.137 -2.008 1.00 0.00 C ATOM 124 O VAL A 11 -2.819 -5.617 -3.094 1.00 0.00 O ATOM 125 CB VAL A 11 -2.966 -8.403 -3.177 1.00 0.00 C ATOM 126 CG1 VAL A 11 -3.343 -9.874 -2.995 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.868 -7.728 -4.212 1.00 0.00 C ATOM 0 H VAL A 11 -4.969 -8.366 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.080 -7.888 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.942 -8.365 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.304 -10.382 -3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.642 -10.347 -2.307 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.352 -9.943 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.819 -8.278 -5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.896 -7.721 -3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.533 -6.703 -4.374 1.00 0.00 H new ATOM 137 N VAL A 12 -3.408 -5.467 -0.916 1.00 0.00 N ATOM 138 CA VAL A 12 -3.506 -4.017 -0.927 1.00 0.00 C ATOM 139 C VAL A 12 -2.472 -3.448 -1.901 1.00 0.00 C ATOM 140 O VAL A 12 -1.286 -3.761 -1.806 1.00 0.00 O ATOM 141 CB VAL A 12 -3.351 -3.472 0.494 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.658 -1.974 0.543 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.233 -4.244 1.477 1.00 0.00 C ATOM 0 H VAL A 12 -3.617 -5.902 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.490 -3.703 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.313 -3.612 0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.540 -1.612 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.970 -1.440 -0.113 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.682 -1.802 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.104 -3.836 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.277 -4.151 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.947 -5.296 1.473 1.00 0.00 H new ATOM 153 N LYS A 13 -2.960 -2.623 -2.816 1.00 0.00 N ATOM 154 CA LYS A 13 -2.094 -2.008 -3.807 1.00 0.00 C ATOM 155 C LYS A 13 -1.625 -0.645 -3.293 1.00 0.00 C ATOM 156 O LYS A 13 -2.433 0.264 -3.108 1.00 0.00 O ATOM 157 CB LYS A 13 -2.794 -1.945 -5.166 1.00 0.00 C ATOM 158 CG LYS A 13 -3.405 -3.299 -5.531 1.00 0.00 C ATOM 159 CD LYS A 13 -3.745 -3.363 -7.022 1.00 0.00 C ATOM 160 CE LYS A 13 -2.505 -3.699 -7.853 1.00 0.00 C ATOM 161 NZ LYS A 13 -2.718 -4.947 -8.619 1.00 0.00 N ATOM 0 H LYS A 13 -3.944 -2.366 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.202 -2.615 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.574 -1.184 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.080 -1.645 -5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.707 -4.097 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.306 -3.466 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.515 -4.115 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.156 -2.407 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.285 -2.879 -8.536 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.640 -3.810 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.867 -5.161 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.906 -5.730 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.530 -4.828 -9.257 1.00 0.00 H new ATOM 175 N VAL A 14 -0.322 -0.547 -3.076 1.00 0.00 N ATOM 176 CA VAL A 14 0.264 0.690 -2.587 1.00 0.00 C ATOM 177 C VAL A 14 1.116 1.318 -3.692 1.00 0.00 C ATOM 178 O VAL A 14 2.315 1.058 -3.780 1.00 0.00 O ATOM 179 CB VAL A 14 1.052 0.423 -1.303 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.960 1.606 -0.961 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.112 0.099 -0.140 1.00 0.00 C ATOM 0 H VAL A 14 0.345 -1.303 -3.230 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.516 1.407 -2.331 1.00 0.00 H new ATOM 0 HB VAL A 14 1.686 -0.447 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.509 1.390 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.665 1.771 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.354 2.501 -0.819 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.698 -0.087 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.559 0.941 0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.473 -0.788 -0.381 1.00 0.00 H new ATOM 191 N TYR A 15 0.463 2.132 -4.507 1.00 0.00 N ATOM 192 CA TYR A 15 1.146 2.799 -5.603 1.00 0.00 C ATOM 193 C TYR A 15 2.290 3.673 -5.085 1.00 0.00 C ATOM 194 O TYR A 15 2.193 4.254 -4.006 1.00 0.00 O ATOM 195 CB TYR A 15 0.099 3.694 -6.269 1.00 0.00 C ATOM 196 CG TYR A 15 -0.932 2.931 -7.104 1.00 0.00 C ATOM 197 CD1 TYR A 15 -0.657 2.617 -8.420 1.00 0.00 C ATOM 198 CD2 TYR A 15 -2.135 2.558 -6.542 1.00 0.00 C ATOM 199 CE1 TYR A 15 -1.627 1.899 -9.206 1.00 0.00 C ATOM 200 CE2 TYR A 15 -3.105 1.839 -7.328 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.803 1.545 -8.621 1.00 0.00 C ATOM 202 OH TYR A 15 -3.719 0.867 -9.363 1.00 0.00 O ATOM 0 H TYR A 15 -0.532 2.345 -4.431 1.00 0.00 H new ATOM 0 HA TYR A 15 1.572 2.069 -6.291 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.422 4.262 -5.498 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.607 4.416 -6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.285 2.910 -8.860 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.350 2.805 -5.513 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.425 1.647 -10.237 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -4.051 1.540 -6.900 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.510 0.680 -8.815 1.00 0.00 H new ATOM 212 N SER A 16 3.349 3.736 -5.879 1.00 0.00 N ATOM 213 CA SER A 16 4.511 4.529 -5.515 1.00 0.00 C ATOM 214 C SER A 16 4.665 5.707 -6.479 1.00 0.00 C ATOM 215 O SER A 16 4.343 5.593 -7.660 1.00 0.00 O ATOM 216 CB SER A 16 5.781 3.675 -5.514 1.00 0.00 C ATOM 217 OG SER A 16 5.970 3.001 -4.272 1.00 0.00 O ATOM 0 H SER A 16 3.427 3.251 -6.773 1.00 0.00 H new ATOM 0 HA SER A 16 4.361 4.912 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.726 2.943 -6.319 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.644 4.309 -5.718 1.00 0.00 H new ATOM 0 HG SER A 16 6.790 2.465 -4.312 1.00 0.00 H new ATOM 223 N GLU A 17 5.156 6.812 -5.938 1.00 0.00 N ATOM 224 CA GLU A 17 5.356 8.011 -6.735 1.00 0.00 C ATOM 225 C GLU A 17 5.968 7.650 -8.091 1.00 0.00 C ATOM 226 O GLU A 17 5.564 8.188 -9.120 1.00 0.00 O ATOM 227 CB GLU A 17 6.228 9.024 -5.992 1.00 0.00 C ATOM 228 CG GLU A 17 5.370 10.105 -5.331 1.00 0.00 C ATOM 229 CD GLU A 17 5.937 11.499 -5.606 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.827 11.937 -6.771 1.00 0.00 O ATOM 231 OE2 GLU A 17 6.467 12.096 -4.644 1.00 0.00 O ATOM 0 H GLU A 17 5.421 6.903 -4.957 1.00 0.00 H new ATOM 0 HA GLU A 17 4.385 8.475 -6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.822 8.512 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.929 9.486 -6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.348 10.043 -5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.326 9.932 -4.256 1.00 0.00 H new ATOM 238 N ASP A 18 6.932 6.743 -8.046 1.00 0.00 N ATOM 239 CA ASP A 18 7.604 6.305 -9.258 1.00 0.00 C ATOM 240 C ASP A 18 6.565 5.775 -10.248 1.00 0.00 C ATOM 241 O ASP A 18 6.632 6.070 -11.441 1.00 0.00 O ATOM 242 CB ASP A 18 8.594 5.176 -8.961 1.00 0.00 C ATOM 243 CG ASP A 18 10.058 5.608 -8.870 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.433 6.119 -7.792 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.770 5.417 -9.879 1.00 0.00 O ATOM 0 H ASP A 18 7.264 6.299 -7.190 1.00 0.00 H new ATOM 0 HA ASP A 18 8.143 7.157 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.311 4.703 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.502 4.418 -9.739 1.00 0.00 H new ATOM 250 N GLY A 19 5.629 5.002 -9.718 1.00 0.00 N ATOM 251 CA GLY A 19 4.577 4.429 -10.540 1.00 0.00 C ATOM 252 C GLY A 19 4.815 2.935 -10.771 1.00 0.00 C ATOM 253 O GLY A 19 4.253 2.349 -11.695 1.00 0.00 O ATOM 0 H GLY A 19 5.577 4.759 -8.729 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.611 4.577 -10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.536 4.947 -11.498 1.00 0.00 H new ATOM 257 N ALA A 20 5.649 2.362 -9.916 1.00 0.00 N ATOM 258 CA ALA A 20 5.968 0.948 -10.015 1.00 0.00 C ATOM 259 C ALA A 20 4.759 0.124 -9.568 1.00 0.00 C ATOM 260 O ALA A 20 4.478 -0.931 -10.135 1.00 0.00 O ATOM 261 CB ALA A 20 7.218 0.647 -9.185 1.00 0.00 C ATOM 0 H ALA A 20 6.114 2.851 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 20 6.189 0.676 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.457 -0.414 -9.259 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.055 1.235 -9.561 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.033 0.905 -8.142 1.00 0.00 H new ATOM 267 N CYS A 21 4.075 0.636 -8.556 1.00 0.00 N ATOM 268 CA CYS A 21 2.903 -0.039 -8.026 1.00 0.00 C ATOM 269 C CYS A 21 3.342 -1.388 -7.455 1.00 0.00 C ATOM 270 O CYS A 21 4.092 -2.123 -8.095 1.00 0.00 O ATOM 271 CB CYS A 21 1.813 -0.197 -9.089 1.00 0.00 C ATOM 272 SG CYS A 21 0.294 -0.881 -8.331 1.00 0.00 S ATOM 0 H CYS A 21 4.310 1.511 -8.088 1.00 0.00 H new ATOM 0 HA CYS A 21 2.461 0.563 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.598 0.768 -9.547 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.161 -0.857 -9.884 1.00 0.00 H new ATOM 0 HG CYS A 21 -0.680 -0.030 -8.466 1.00 0.00 H new ATOM 278 N ARG A 22 2.857 -1.673 -6.255 1.00 0.00 N ATOM 279 CA ARG A 22 3.191 -2.921 -5.590 1.00 0.00 C ATOM 280 C ARG A 22 2.061 -3.338 -4.647 1.00 0.00 C ATOM 281 O ARG A 22 1.366 -2.489 -4.090 1.00 0.00 O ATOM 282 CB ARG A 22 4.490 -2.789 -4.791 1.00 0.00 C ATOM 283 CG ARG A 22 4.342 -1.758 -3.670 1.00 0.00 C ATOM 284 CD ARG A 22 5.669 -1.045 -3.403 1.00 0.00 C ATOM 285 NE ARG A 22 6.708 -2.031 -3.033 1.00 0.00 N ATOM 286 CZ ARG A 22 7.609 -2.531 -3.890 1.00 0.00 C ATOM 287 NH1 ARG A 22 7.602 -2.141 -5.172 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.515 -3.422 -3.466 1.00 0.00 N ATOM 0 H ARG A 22 2.235 -1.061 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 22 3.327 -3.681 -6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.760 -3.756 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.302 -2.494 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.580 -1.027 -3.941 1.00 0.00 H new ATOM 0 HG3 ARG A 22 4.000 -2.251 -2.760 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.979 -0.493 -4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.545 -0.317 -2.601 1.00 0.00 H new ATOM 0 HE ARG A 22 6.741 -2.350 -2.065 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.911 -1.464 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.288 -2.521 -5.825 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.519 -3.720 -2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.200 -3.802 -4.119 1.00 0.00 H new ATOM 302 N SER A 23 1.912 -4.646 -4.496 1.00 0.00 N ATOM 303 CA SER A 23 0.877 -5.186 -3.630 1.00 0.00 C ATOM 304 C SER A 23 1.507 -6.072 -2.553 1.00 0.00 C ATOM 305 O SER A 23 2.514 -6.735 -2.800 1.00 0.00 O ATOM 306 CB SER A 23 -0.155 -5.980 -4.434 1.00 0.00 C ATOM 307 OG SER A 23 -0.793 -5.178 -5.423 1.00 0.00 O ATOM 0 H SER A 23 2.490 -5.347 -4.958 1.00 0.00 H new ATOM 0 HA SER A 23 0.362 -4.353 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.334 -6.827 -4.915 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.906 -6.387 -3.757 1.00 0.00 H new ATOM 0 HG SER A 23 -1.443 -5.721 -5.915 1.00 0.00 H new ATOM 313 N VAL A 24 0.888 -6.055 -1.382 1.00 0.00 N ATOM 314 CA VAL A 24 1.375 -6.849 -0.266 1.00 0.00 C ATOM 315 C VAL A 24 0.223 -7.677 0.306 1.00 0.00 C ATOM 316 O VAL A 24 -0.858 -7.150 0.561 1.00 0.00 O ATOM 317 CB VAL A 24 2.033 -5.940 0.774 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.431 -5.513 0.323 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.156 -4.722 1.071 1.00 0.00 C ATOM 0 H VAL A 24 0.053 -5.504 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 24 2.142 -7.548 -0.599 1.00 0.00 H new ATOM 0 HB VAL A 24 2.139 -6.509 1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.876 -4.868 1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.055 -6.396 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.359 -4.970 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.647 -4.092 1.813 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.004 -4.151 0.155 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.192 -5.053 1.457 1.00 0.00 H new ATOM 329 N GLU A 25 0.495 -8.961 0.491 1.00 0.00 N ATOM 330 CA GLU A 25 -0.506 -9.867 1.029 1.00 0.00 C ATOM 331 C GLU A 25 -0.608 -9.705 2.547 1.00 0.00 C ATOM 332 O GLU A 25 0.271 -10.149 3.283 1.00 0.00 O ATOM 333 CB GLU A 25 -0.191 -11.316 0.653 1.00 0.00 C ATOM 334 CG GLU A 25 -1.101 -11.799 -0.479 1.00 0.00 C ATOM 335 CD GLU A 25 -1.028 -13.320 -0.630 1.00 0.00 C ATOM 336 OE1 GLU A 25 -0.848 -13.986 0.413 1.00 0.00 O ATOM 337 OE2 GLU A 25 -1.154 -13.782 -1.784 1.00 0.00 O ATOM 0 H GLU A 25 1.393 -9.395 0.278 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.471 -9.613 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.852 -11.397 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.318 -11.958 1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.129 -11.499 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.808 -11.323 -1.415 1.00 0.00 H new ATOM 344 N VAL A 26 -1.690 -9.067 2.970 1.00 0.00 N ATOM 345 CA VAL A 26 -1.919 -8.840 4.386 1.00 0.00 C ATOM 346 C VAL A 26 -3.283 -9.412 4.776 1.00 0.00 C ATOM 347 O VAL A 26 -4.117 -9.682 3.913 1.00 0.00 O ATOM 348 CB VAL A 26 -1.781 -7.350 4.707 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.318 -6.909 4.644 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.650 -6.506 3.772 1.00 0.00 C ATOM 0 H VAL A 26 -2.417 -8.700 2.356 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.167 -9.358 4.982 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.134 -7.192 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.248 -5.846 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.265 -7.478 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.073 -7.088 3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.534 -5.451 4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.341 -6.671 2.740 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.695 -6.793 3.888 1.00 0.00 H new ATOM 360 N ALA A 27 -3.469 -9.580 6.077 1.00 0.00 N ATOM 361 CA ALA A 27 -4.718 -10.115 6.592 1.00 0.00 C ATOM 362 C ALA A 27 -5.387 -9.069 7.485 1.00 0.00 C ATOM 363 O ALA A 27 -4.717 -8.190 8.026 1.00 0.00 O ATOM 364 CB ALA A 27 -4.446 -11.426 7.333 1.00 0.00 C ATOM 0 H ALA A 27 -2.775 -9.355 6.790 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.404 -10.339 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.383 -11.827 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.999 -12.146 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.762 -11.241 8.161 1.00 0.00 H new ATOM 370 N ALA A 28 -6.700 -9.197 7.611 1.00 0.00 N ATOM 371 CA ALA A 28 -7.466 -8.273 8.429 1.00 0.00 C ATOM 372 C ALA A 28 -6.737 -8.046 9.755 1.00 0.00 C ATOM 373 O ALA A 28 -6.837 -8.863 10.670 1.00 0.00 O ATOM 374 CB ALA A 28 -8.881 -8.820 8.628 1.00 0.00 C ATOM 0 H ALA A 28 -7.252 -9.927 7.160 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.556 -7.306 7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.456 -8.127 9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.366 -8.935 7.659 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.830 -9.789 9.125 1.00 0.00 H new ATOM 380 N GLY A 29 -6.020 -6.934 9.817 1.00 0.00 N ATOM 381 CA GLY A 29 -5.275 -6.590 11.016 1.00 0.00 C ATOM 382 C GLY A 29 -4.187 -5.559 10.708 1.00 0.00 C ATOM 383 O GLY A 29 -4.073 -4.547 11.398 1.00 0.00 O ATOM 0 H GLY A 29 -5.939 -6.259 9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.955 -6.193 11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.822 -7.487 11.437 1.00 0.00 H new ATOM 387 N ALA A 30 -3.415 -5.852 9.672 1.00 0.00 N ATOM 388 CA ALA A 30 -2.341 -4.963 9.265 1.00 0.00 C ATOM 389 C ALA A 30 -2.909 -3.564 9.014 1.00 0.00 C ATOM 390 O ALA A 30 -3.876 -3.408 8.271 1.00 0.00 O ATOM 391 CB ALA A 30 -1.642 -5.538 8.031 1.00 0.00 C ATOM 0 H ALA A 30 -3.512 -6.693 9.102 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.594 -4.879 10.054 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.836 -4.871 7.725 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.230 -6.519 8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.361 -5.635 7.217 1.00 0.00 H new ATOM 397 N THR A 31 -2.283 -2.584 9.648 1.00 0.00 N ATOM 398 CA THR A 31 -2.714 -1.204 9.503 1.00 0.00 C ATOM 399 C THR A 31 -1.894 -0.500 8.420 1.00 0.00 C ATOM 400 O THR A 31 -1.027 -1.111 7.797 1.00 0.00 O ATOM 401 CB THR A 31 -2.616 -0.531 10.874 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.218 -0.321 11.058 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.005 -1.471 12.017 1.00 0.00 C ATOM 0 H THR A 31 -1.481 -2.718 10.263 1.00 0.00 H new ATOM 0 HA THR A 31 -3.750 -1.146 9.170 1.00 0.00 H new ATOM 0 HB THR A 31 -3.259 0.349 10.893 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.057 0.614 11.305 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.918 -0.944 12.967 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.034 -1.804 11.880 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.341 -2.335 12.019 1.00 0.00 H new ATOM 411 N ALA A 32 -2.196 0.776 8.230 1.00 0.00 N ATOM 412 CA ALA A 32 -1.498 1.570 7.233 1.00 0.00 C ATOM 413 C ALA A 32 -0.001 1.579 7.552 1.00 0.00 C ATOM 414 O ALA A 32 0.817 1.918 6.698 1.00 0.00 O ATOM 415 CB ALA A 32 -2.094 2.978 7.192 1.00 0.00 C ATOM 0 H ALA A 32 -2.915 1.280 8.750 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.621 1.136 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.570 3.573 6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.151 2.918 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.986 3.447 8.170 1.00 0.00 H new ATOM 421 N ARG A 33 0.311 1.202 8.783 1.00 0.00 N ATOM 422 CA ARG A 33 1.695 1.163 9.225 1.00 0.00 C ATOM 423 C ARG A 33 2.340 -0.167 8.831 1.00 0.00 C ATOM 424 O ARG A 33 3.461 -0.191 8.324 1.00 0.00 O ATOM 425 CB ARG A 33 1.793 1.340 10.742 1.00 0.00 C ATOM 426 CG ARG A 33 3.106 0.764 11.277 1.00 0.00 C ATOM 427 CD ARG A 33 4.310 1.466 10.646 1.00 0.00 C ATOM 428 NE ARG A 33 5.384 1.630 11.651 1.00 0.00 N ATOM 429 CZ ARG A 33 6.515 2.316 11.437 1.00 0.00 C ATOM 430 NH1 ARG A 33 6.728 2.904 10.252 1.00 0.00 N ATOM 431 NH2 ARG A 33 7.434 2.413 12.407 1.00 0.00 N ATOM 0 H ARG A 33 -0.370 0.921 9.488 1.00 0.00 H new ATOM 0 HA ARG A 33 2.222 1.984 8.740 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.727 2.399 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.951 0.844 11.225 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.142 0.876 12.361 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.151 -0.304 11.066 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.678 0.885 9.800 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.012 2.440 10.258 1.00 0.00 H new ATOM 0 HE ARG A 33 5.255 1.193 12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.029 2.829 9.513 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.589 3.426 10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.273 1.965 13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.295 2.935 12.244 1.00 0.00 H new ATOM 445 N HIS A 34 1.606 -1.241 9.079 1.00 0.00 N ATOM 446 CA HIS A 34 2.093 -2.572 8.756 1.00 0.00 C ATOM 447 C HIS A 34 2.637 -2.586 7.326 1.00 0.00 C ATOM 448 O HIS A 34 3.725 -3.103 7.077 1.00 0.00 O ATOM 449 CB HIS A 34 1.002 -3.620 8.986 1.00 0.00 C ATOM 450 CG HIS A 34 1.014 -4.224 10.370 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.836 -3.472 11.518 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.182 -5.515 10.777 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.898 -4.284 12.563 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.112 -5.550 12.102 1.00 0.00 N ATOM 0 H HIS A 34 0.677 -1.217 9.500 1.00 0.00 H new ATOM 0 HA HIS A 34 2.914 -2.835 9.423 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.029 -3.162 8.809 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.117 -4.417 8.252 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.344 -6.365 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.797 -3.994 13.599 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.203 -6.385 12.680 1.00 0.00 H new ATOM 462 N VAL A 35 1.855 -2.012 6.424 1.00 0.00 N ATOM 463 CA VAL A 35 2.245 -1.952 5.026 1.00 0.00 C ATOM 464 C VAL A 35 3.577 -1.209 4.903 1.00 0.00 C ATOM 465 O VAL A 35 4.500 -1.688 4.246 1.00 0.00 O ATOM 466 CB VAL A 35 1.127 -1.314 4.197 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.607 -0.999 2.779 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.113 -2.209 4.170 1.00 0.00 C ATOM 0 H VAL A 35 0.953 -1.584 6.634 1.00 0.00 H new ATOM 0 HA VAL A 35 2.394 -2.956 4.629 1.00 0.00 H new ATOM 0 HB VAL A 35 0.851 -0.373 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.794 -0.547 2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.447 -0.306 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.923 -1.920 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.892 -1.733 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.143 -3.172 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.475 -2.360 5.187 1.00 0.00 H new ATOM 478 N CYS A 36 3.635 -0.053 5.547 1.00 0.00 N ATOM 479 CA CYS A 36 4.839 0.760 5.518 1.00 0.00 C ATOM 480 C CYS A 36 6.027 -0.128 5.890 1.00 0.00 C ATOM 481 O CYS A 36 7.054 -0.113 5.212 1.00 0.00 O ATOM 482 CB CYS A 36 4.723 1.975 6.442 1.00 0.00 C ATOM 483 SG CYS A 36 6.357 2.777 6.628 1.00 0.00 S ATOM 0 H CYS A 36 2.868 0.340 6.092 1.00 0.00 H new ATOM 0 HA CYS A 36 4.986 1.161 4.515 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.004 2.685 6.034 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.347 1.666 7.417 1.00 0.00 H new ATOM 0 HG CYS A 36 6.248 3.808 7.412 1.00 0.00 H new ATOM 489 N GLU A 37 5.849 -0.881 6.965 1.00 0.00 N ATOM 490 CA GLU A 37 6.894 -1.774 7.435 1.00 0.00 C ATOM 491 C GLU A 37 7.234 -2.806 6.358 1.00 0.00 C ATOM 492 O GLU A 37 8.378 -2.892 5.915 1.00 0.00 O ATOM 493 CB GLU A 37 6.484 -2.459 8.741 1.00 0.00 C ATOM 494 CG GLU A 37 6.922 -1.635 9.953 1.00 0.00 C ATOM 495 CD GLU A 37 8.314 -2.058 10.430 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.540 -3.285 10.501 1.00 0.00 O ATOM 497 OE2 GLU A 37 9.119 -1.145 10.712 1.00 0.00 O ATOM 0 H GLU A 37 4.996 -0.891 7.524 1.00 0.00 H new ATOM 0 HA GLU A 37 7.786 -1.182 7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.403 -2.595 8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.931 -3.452 8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.929 -0.576 9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.203 -1.761 10.762 1.00 0.00 H new ATOM 504 N MET A 38 6.220 -3.564 5.968 1.00 0.00 N ATOM 505 CA MET A 38 6.397 -4.586 4.951 1.00 0.00 C ATOM 506 C MET A 38 7.144 -4.029 3.738 1.00 0.00 C ATOM 507 O MET A 38 8.212 -4.526 3.380 1.00 0.00 O ATOM 508 CB MET A 38 5.029 -5.112 4.511 1.00 0.00 C ATOM 509 CG MET A 38 4.232 -5.636 5.708 1.00 0.00 C ATOM 510 SD MET A 38 4.057 -7.408 5.595 1.00 0.00 S ATOM 511 CE MET A 38 3.030 -7.527 4.139 1.00 0.00 C ATOM 0 H MET A 38 5.272 -3.491 6.338 1.00 0.00 H new ATOM 0 HA MET A 38 6.988 -5.397 5.377 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.471 -4.316 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.160 -5.909 3.780 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.738 -5.371 6.636 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.249 -5.166 5.735 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.340 -8.364 4.248 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.464 -6.604 4.017 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.658 -7.686 3.263 1.00 0.00 H new ATOM 521 N LEU A 39 6.554 -3.006 3.138 1.00 0.00 N ATOM 522 CA LEU A 39 7.151 -2.376 1.972 1.00 0.00 C ATOM 523 C LEU A 39 8.604 -2.012 2.283 1.00 0.00 C ATOM 524 O LEU A 39 9.520 -2.453 1.589 1.00 0.00 O ATOM 525 CB LEU A 39 6.304 -1.187 1.513 1.00 0.00 C ATOM 526 CG LEU A 39 4.839 -1.491 1.193 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.039 -0.200 1.011 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.723 -2.414 -0.022 1.00 0.00 C ATOM 0 H LEU A 39 5.669 -2.597 3.437 1.00 0.00 H new ATOM 0 HA LEU A 39 7.168 -3.069 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.335 -0.423 2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.768 -0.757 0.625 1.00 0.00 H new ATOM 0 HG LEU A 39 4.407 -2.021 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.001 -0.444 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.082 0.387 1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.463 0.378 0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.671 -2.614 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.177 -1.934 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.238 -3.353 0.184 1.00 0.00 H new ATOM 540 N VAL A 40 8.771 -1.212 3.325 1.00 0.00 N ATOM 541 CA VAL A 40 10.098 -0.784 3.736 1.00 0.00 C ATOM 542 C VAL A 40 11.016 -2.005 3.830 1.00 0.00 C ATOM 543 O VAL A 40 12.053 -2.058 3.172 1.00 0.00 O ATOM 544 CB VAL A 40 10.012 0.002 5.045 1.00 0.00 C ATOM 545 CG1 VAL A 40 11.402 0.215 5.649 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.294 1.337 4.837 1.00 0.00 C ATOM 0 H VAL A 40 8.009 -0.848 3.898 1.00 0.00 H new ATOM 0 HA VAL A 40 10.529 -0.110 2.996 1.00 0.00 H new ATOM 0 HB VAL A 40 9.426 -0.587 5.751 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.312 0.776 6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.863 -0.752 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.022 0.772 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.246 1.876 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.840 1.934 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.283 1.154 4.473 1.00 0.00 H new ATOM 705 N TRP A 51 7.411 7.212 7.457 1.00 0.00 N ATOM 706 CA TRP A 51 6.673 6.794 6.278 1.00 0.00 C ATOM 707 C TRP A 51 5.280 6.345 6.726 1.00 0.00 C ATOM 708 O TRP A 51 5.018 6.225 7.922 1.00 0.00 O ATOM 709 CB TRP A 51 7.432 5.710 5.511 1.00 0.00 C ATOM 710 CG TRP A 51 8.668 6.222 4.769 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.862 6.548 5.282 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.783 6.455 3.349 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.735 6.973 4.300 1.00 0.00 N ATOM 714 CE2 TRP A 51 10.058 6.914 3.088 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.841 6.283 2.320 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.507 7.239 1.802 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.305 6.613 1.041 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.586 7.076 0.761 1.00 0.00 C ATOM 0 HA TRP A 51 6.564 7.623 5.578 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.737 4.931 6.210 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.756 5.247 4.793 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.110 6.486 6.331 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.699 7.275 4.439 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.839 5.925 2.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.510 7.596 1.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.620 6.500 0.214 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.869 7.309 -0.255 1.00 0.00 H new ATOM 729 N GLY A 52 4.424 6.111 5.743 1.00 0.00 N ATOM 730 CA GLY A 52 3.065 5.678 6.021 1.00 0.00 C ATOM 731 C GLY A 52 2.309 5.378 4.726 1.00 0.00 C ATOM 732 O GLY A 52 2.848 4.744 3.820 1.00 0.00 O ATOM 0 H GLY A 52 4.645 6.213 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.085 4.787 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.541 6.452 6.581 1.00 0.00 H new ATOM 736 N LEU A 53 1.071 5.849 4.678 1.00 0.00 N ATOM 737 CA LEU A 53 0.235 5.639 3.508 1.00 0.00 C ATOM 738 C LEU A 53 -0.585 6.903 3.240 1.00 0.00 C ATOM 739 O LEU A 53 -0.800 7.710 4.142 1.00 0.00 O ATOM 740 CB LEU A 53 -0.615 4.378 3.676 1.00 0.00 C ATOM 741 CG LEU A 53 -0.030 3.092 3.087 1.00 0.00 C ATOM 742 CD1 LEU A 53 -0.996 1.919 3.265 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.367 3.290 1.623 1.00 0.00 C ATOM 0 H LEU A 53 0.627 6.375 5.431 1.00 0.00 H new ATOM 0 HA LEU A 53 0.851 5.465 2.626 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.789 4.220 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.587 4.555 3.217 1.00 0.00 H new ATOM 0 HG LEU A 53 0.879 2.847 3.637 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.556 1.018 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.186 1.762 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.935 2.140 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.780 2.361 1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.512 3.572 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.116 4.079 1.553 1.00 0.00 H new ATOM 755 N VAL A 54 -1.022 7.033 1.996 1.00 0.00 N ATOM 756 CA VAL A 54 -1.814 8.184 1.598 1.00 0.00 C ATOM 757 C VAL A 54 -2.935 7.728 0.662 1.00 0.00 C ATOM 758 O VAL A 54 -2.673 7.272 -0.450 1.00 0.00 O ATOM 759 CB VAL A 54 -0.911 9.250 0.973 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.740 10.343 0.296 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.035 9.848 2.017 1.00 0.00 C ATOM 0 H VAL A 54 -0.843 6.360 1.251 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.283 8.643 2.468 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.304 8.767 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.074 11.088 -0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.353 9.901 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.385 10.821 1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.666 10.603 1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.548 10.308 2.815 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.662 9.060 2.434 1.00 0.00 H new ATOM 771 N GLU A 55 -4.160 7.865 1.147 1.00 0.00 N ATOM 772 CA GLU A 55 -5.322 7.472 0.368 1.00 0.00 C ATOM 773 C GLU A 55 -5.619 8.520 -0.707 1.00 0.00 C ATOM 774 O GLU A 55 -5.867 9.683 -0.393 1.00 0.00 O ATOM 775 CB GLU A 55 -6.538 7.252 1.270 1.00 0.00 C ATOM 776 CG GLU A 55 -6.977 8.562 1.928 1.00 0.00 C ATOM 777 CD GLU A 55 -7.597 8.304 3.303 1.00 0.00 C ATOM 778 OE1 GLU A 55 -6.856 7.797 4.173 1.00 0.00 O ATOM 779 OE2 GLU A 55 -8.797 8.619 3.453 1.00 0.00 O ATOM 0 H GLU A 55 -4.373 8.243 2.070 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.101 6.526 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.360 6.842 0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.297 6.518 2.039 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.119 9.227 2.031 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.699 9.070 1.289 1.00 0.00 H new ATOM 786 N CYS A 56 -5.584 8.069 -1.952 1.00 0.00 N ATOM 787 CA CYS A 56 -5.847 8.953 -3.075 1.00 0.00 C ATOM 788 C CYS A 56 -7.302 8.761 -3.507 1.00 0.00 C ATOM 789 O CYS A 56 -7.820 7.646 -3.481 1.00 0.00 O ATOM 790 CB CYS A 56 -4.872 8.707 -4.229 1.00 0.00 C ATOM 791 SG CYS A 56 -3.549 9.970 -4.210 1.00 0.00 S ATOM 0 H CYS A 56 -5.378 7.103 -2.208 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.693 9.988 -2.770 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.437 7.711 -4.142 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.405 8.741 -5.179 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.726 9.751 -5.192 1.00 0.00 H new ATOM 797 N HIS A 57 -7.921 9.867 -3.895 1.00 0.00 N ATOM 798 CA HIS A 57 -9.307 9.835 -4.332 1.00 0.00 C ATOM 799 C HIS A 57 -9.381 10.159 -5.825 1.00 0.00 C ATOM 800 O HIS A 57 -9.418 11.327 -6.209 1.00 0.00 O ATOM 801 CB HIS A 57 -10.167 10.768 -3.478 1.00 0.00 C ATOM 802 CG HIS A 57 -10.421 10.261 -2.079 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.745 8.944 -1.806 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.396 10.908 -0.878 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.905 8.815 -0.497 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.689 10.033 0.076 1.00 0.00 N ATOM 0 H HIS A 57 -7.488 10.790 -3.916 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.714 8.833 -4.193 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.679 11.741 -3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.124 10.921 -3.977 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.175 11.955 -0.729 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.162 7.905 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.744 10.238 1.074 1.00 0.00 H new ATOM 814 N PRO A 58 -9.403 9.077 -6.648 1.00 0.00 N ATOM 815 CA PRO A 58 -9.473 9.235 -8.090 1.00 0.00 C ATOM 816 C PRO A 58 -10.881 9.640 -8.530 1.00 0.00 C ATOM 817 O PRO A 58 -11.509 8.948 -9.330 1.00 0.00 O ATOM 818 CB PRO A 58 -9.038 7.892 -8.655 1.00 0.00 C ATOM 819 CG PRO A 58 -9.188 6.894 -7.518 1.00 0.00 C ATOM 820 CD PRO A 58 -9.362 7.679 -6.228 1.00 0.00 C ATOM 0 HA PRO A 58 -8.829 10.034 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.655 7.609 -9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.007 7.932 -9.007 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.048 6.246 -7.690 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.311 6.250 -7.457 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.278 7.394 -5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.537 7.496 -5.539 1.00 0.00 H new ATOM 828 N HIS A 59 -11.336 10.760 -7.988 1.00 0.00 N ATOM 829 CA HIS A 59 -12.658 11.267 -8.315 1.00 0.00 C ATOM 830 C HIS A 59 -12.831 12.668 -7.727 1.00 0.00 C ATOM 831 O HIS A 59 -13.402 13.549 -8.369 1.00 0.00 O ATOM 832 CB HIS A 59 -13.743 10.292 -7.851 1.00 0.00 C ATOM 833 CG HIS A 59 -13.685 9.964 -6.378 1.00 0.00 C ATOM 834 ND1 HIS A 59 -14.663 9.953 -5.428 1.00 0.00 N flip ATOM 835 CD2 HIS A 59 -12.514 9.595 -5.738 1.00 0.00 C flip ATOM 836 CE1 HIS A 59 -14.121 9.597 -4.270 1.00 0.00 C flip ATOM 837 NE2 HIS A 59 -12.788 9.375 -4.460 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.813 11.331 -7.324 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.762 11.350 -9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.720 10.716 -8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.655 9.368 -8.422 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.543 9.502 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.648 9.499 -3.332 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.120 9.090 -3.744 1.00 0.00 H new ATOM 845 N LEU A 60 -12.327 12.832 -6.513 1.00 0.00 N ATOM 846 CA LEU A 60 -12.418 14.112 -5.831 1.00 0.00 C ATOM 847 C LEU A 60 -11.053 14.802 -5.866 1.00 0.00 C ATOM 848 O LEU A 60 -10.904 15.919 -5.371 1.00 0.00 O ATOM 849 CB LEU A 60 -12.978 13.929 -4.419 1.00 0.00 C ATOM 850 CG LEU A 60 -13.875 12.707 -4.207 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.409 12.662 -2.774 1.00 0.00 C ATOM 852 CD2 LEU A 60 -15.002 12.668 -5.241 1.00 0.00 C ATOM 0 H LEU A 60 -11.854 12.100 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.121 14.768 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.142 13.866 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.545 14.822 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 60 -13.273 11.811 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -15.043 11.784 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.574 12.608 -2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.991 13.562 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.624 11.790 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.610 13.568 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.575 12.618 -6.243 1.00 0.00 H new ATOM 864 N ALA A 61 -10.090 14.109 -6.455 1.00 0.00 N ATOM 865 CA ALA A 61 -8.742 14.640 -6.561 1.00 0.00 C ATOM 866 C ALA A 61 -8.267 15.093 -5.179 1.00 0.00 C ATOM 867 O ALA A 61 -7.802 16.220 -5.016 1.00 0.00 O ATOM 868 CB ALA A 61 -8.720 15.776 -7.586 1.00 0.00 C ATOM 0 H ALA A 61 -10.217 13.183 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.053 13.871 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.709 16.175 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -9.038 15.396 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.398 16.568 -7.266 1.00 0.00 H new ATOM 874 N LEU A 62 -8.399 14.190 -4.218 1.00 0.00 N ATOM 875 CA LEU A 62 -7.989 14.482 -2.855 1.00 0.00 C ATOM 876 C LEU A 62 -6.857 13.534 -2.453 1.00 0.00 C ATOM 877 O LEU A 62 -6.658 12.497 -3.083 1.00 0.00 O ATOM 878 CB LEU A 62 -9.193 14.437 -1.912 1.00 0.00 C ATOM 879 CG LEU A 62 -9.353 15.633 -0.971 1.00 0.00 C ATOM 880 CD1 LEU A 62 -8.243 15.656 0.081 1.00 0.00 C ATOM 881 CD2 LEU A 62 -9.425 16.943 -1.758 1.00 0.00 C ATOM 0 H LEU A 62 -8.784 13.256 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.596 15.496 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.098 14.350 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.123 13.532 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.298 15.525 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.381 16.516 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.282 14.740 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.274 15.728 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.539 17.777 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.509 17.072 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.279 16.914 -2.435 1.00 0.00 H new ATOM 893 N GLU A 63 -6.145 13.925 -1.406 1.00 0.00 N ATOM 894 CA GLU A 63 -5.038 13.123 -0.913 1.00 0.00 C ATOM 895 C GLU A 63 -4.938 13.236 0.609 1.00 0.00 C ATOM 896 O GLU A 63 -4.543 14.276 1.134 1.00 0.00 O ATOM 897 CB GLU A 63 -3.724 13.532 -1.581 1.00 0.00 C ATOM 898 CG GLU A 63 -3.676 13.058 -3.035 1.00 0.00 C ATOM 899 CD GLU A 63 -4.069 14.185 -3.992 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.509 15.290 -3.828 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.920 13.915 -4.867 1.00 0.00 O ATOM 0 H GLU A 63 -6.313 14.786 -0.886 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.228 12.081 -1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.616 14.616 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.885 13.109 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.672 12.707 -3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.350 12.212 -3.168 1.00 0.00 H new ATOM 908 N ARG A 64 -5.303 12.151 1.276 1.00 0.00 N ATOM 909 CA ARG A 64 -5.259 12.115 2.728 1.00 0.00 C ATOM 910 C ARG A 64 -4.234 11.084 3.203 1.00 0.00 C ATOM 911 O ARG A 64 -4.111 10.009 2.617 1.00 0.00 O ATOM 912 CB ARG A 64 -6.630 11.766 3.312 1.00 0.00 C ATOM 913 CG ARG A 64 -6.598 11.797 4.842 1.00 0.00 C ATOM 914 CD ARG A 64 -6.974 13.183 5.370 1.00 0.00 C ATOM 915 NE ARG A 64 -5.820 14.101 5.248 1.00 0.00 N ATOM 916 CZ ARG A 64 -5.841 15.387 5.623 1.00 0.00 C ATOM 917 NH1 ARG A 64 -6.956 15.915 6.146 1.00 0.00 N ATOM 918 NH2 ARG A 64 -4.747 16.146 5.474 1.00 0.00 N ATOM 0 H ARG A 64 -5.631 11.290 0.838 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.970 13.107 3.075 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.376 12.472 2.946 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.933 10.776 2.971 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.289 11.053 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.602 11.528 5.194 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.823 13.576 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.284 13.112 6.412 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.955 13.732 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.789 15.338 6.259 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -6.971 16.894 6.431 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.898 15.745 5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.763 17.125 5.759 1.00 0.00 H new ATOM 932 N GLY A 65 -3.522 11.447 4.260 1.00 0.00 N ATOM 933 CA GLY A 65 -2.511 10.567 4.821 1.00 0.00 C ATOM 934 C GLY A 65 -3.016 9.895 6.099 1.00 0.00 C ATOM 935 O GLY A 65 -2.888 10.451 7.189 1.00 0.00 O ATOM 0 H GLY A 65 -3.626 12.339 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.239 9.806 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.608 11.137 5.038 1.00 0.00 H new ATOM 939 N LEU A 66 -3.580 8.709 5.924 1.00 0.00 N ATOM 940 CA LEU A 66 -4.104 7.956 7.050 1.00 0.00 C ATOM 941 C LEU A 66 -2.964 7.630 8.016 1.00 0.00 C ATOM 942 O LEU A 66 -1.844 7.352 7.590 1.00 0.00 O ATOM 943 CB LEU A 66 -4.867 6.722 6.561 1.00 0.00 C ATOM 944 CG LEU A 66 -4.018 5.616 5.930 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.734 4.266 6.006 1.00 0.00 C ATOM 946 CD2 LEU A 66 -3.625 5.976 4.496 1.00 0.00 C ATOM 0 H LEU A 66 -3.685 8.251 5.019 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.829 8.553 7.602 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.412 6.298 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.610 7.044 5.831 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.095 5.525 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.110 3.497 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.921 4.011 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.682 4.327 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.022 5.173 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.524 6.111 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.048 6.901 4.498 1.00 0.00 H new ATOM 958 N GLU A 67 -3.288 7.676 9.300 1.00 0.00 N ATOM 959 CA GLU A 67 -2.304 7.390 10.331 1.00 0.00 C ATOM 960 C GLU A 67 -1.892 5.918 10.277 1.00 0.00 C ATOM 961 O GLU A 67 -2.278 5.195 9.360 1.00 0.00 O ATOM 962 CB GLU A 67 -2.838 7.760 11.716 1.00 0.00 C ATOM 963 CG GLU A 67 -2.454 9.194 12.087 1.00 0.00 C ATOM 964 CD GLU A 67 -1.865 9.256 13.498 1.00 0.00 C ATOM 965 OE1 GLU A 67 -2.609 8.903 14.439 1.00 0.00 O ATOM 966 OE2 GLU A 67 -0.686 9.656 13.604 1.00 0.00 O ATOM 0 H GLU A 67 -4.218 7.907 9.650 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.421 8.001 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.923 7.655 11.731 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.440 7.069 12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.729 9.577 11.369 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.332 9.837 12.027 1.00 0.00 H new ATOM 973 N ASP A 68 -1.114 5.517 11.272 1.00 0.00 N ATOM 974 CA ASP A 68 -0.646 4.144 11.350 1.00 0.00 C ATOM 975 C ASP A 68 -1.769 3.257 11.890 1.00 0.00 C ATOM 976 O ASP A 68 -2.118 2.249 11.277 1.00 0.00 O ATOM 977 CB ASP A 68 0.550 4.023 12.296 1.00 0.00 C ATOM 978 CG ASP A 68 0.488 4.919 13.535 1.00 0.00 C ATOM 979 OD1 ASP A 68 0.874 6.100 13.401 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.055 4.402 14.588 1.00 0.00 O ATOM 0 H ASP A 68 -0.796 6.120 12.031 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.347 3.832 10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.634 2.986 12.620 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.458 4.258 11.741 1.00 0.00 H new ATOM 985 N HIS A 69 -2.304 3.663 13.032 1.00 0.00 N ATOM 986 CA HIS A 69 -3.380 2.918 13.662 1.00 0.00 C ATOM 987 C HIS A 69 -4.501 2.678 12.647 1.00 0.00 C ATOM 988 O HIS A 69 -5.281 1.738 12.789 1.00 0.00 O ATOM 989 CB HIS A 69 -3.867 3.629 14.925 1.00 0.00 C ATOM 990 CG HIS A 69 -4.778 4.803 14.657 1.00 0.00 C ATOM 991 ND1 HIS A 69 -4.304 6.081 14.419 1.00 0.00 N ATOM 992 CD2 HIS A 69 -6.139 4.879 14.592 1.00 0.00 C ATOM 993 CE1 HIS A 69 -5.340 6.882 14.221 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.477 6.135 14.329 1.00 0.00 N ATOM 0 H HIS A 69 -2.012 4.499 13.538 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.012 1.943 13.983 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.393 2.911 15.554 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.002 3.975 15.491 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.825 4.056 14.731 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.293 7.940 14.011 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -7.430 6.484 14.225 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.544 3.545 11.646 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.556 3.440 10.609 1.00 0.00 C ATOM 1004 C GLU A 70 -5.402 2.121 9.849 1.00 0.00 C ATOM 1005 O GLU A 70 -4.311 1.790 9.388 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.489 4.633 9.654 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.160 5.864 10.267 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.678 5.685 10.333 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.128 5.004 11.280 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.354 6.232 9.435 1.00 0.00 O ATOM 0 H GLU A 70 -3.894 4.323 11.531 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.537 3.451 11.084 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.448 4.859 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.978 4.378 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.767 6.036 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.920 6.747 9.674 1.00 0.00 H new ATOM 1017 N SER A 71 -6.511 1.403 9.743 1.00 0.00 N ATOM 1018 CA SER A 71 -6.512 0.127 9.047 1.00 0.00 C ATOM 1019 C SER A 71 -6.741 0.348 7.551 1.00 0.00 C ATOM 1020 O SER A 71 -7.752 0.925 7.152 1.00 0.00 O ATOM 1021 CB SER A 71 -7.581 -0.809 9.616 1.00 0.00 C ATOM 1022 OG SER A 71 -7.025 -2.039 10.073 1.00 0.00 O ATOM 0 H SER A 71 -7.414 1.680 10.127 1.00 0.00 H new ATOM 0 HA SER A 71 -5.540 -0.344 9.193 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.094 -0.314 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.330 -1.012 8.850 1.00 0.00 H new ATOM 0 HG SER A 71 -7.739 -2.608 10.430 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.787 -0.124 6.762 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.872 0.014 5.318 1.00 0.00 C ATOM 1030 C VAL A 72 -7.166 -0.635 4.824 1.00 0.00 C ATOM 1031 O VAL A 72 -7.815 -0.120 3.915 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.620 -0.572 4.662 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.467 0.433 4.687 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.216 -1.888 5.330 1.00 0.00 C ATOM 0 H VAL A 72 -4.951 -0.603 7.096 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.908 1.066 5.036 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.856 -0.785 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.589 -0.008 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.757 1.333 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.232 0.692 5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.324 -2.283 4.845 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.007 -1.711 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.029 -2.608 5.236 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.503 -1.756 5.444 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.708 -2.481 5.078 1.00 0.00 C ATOM 1046 C VAL A 73 -9.934 -1.667 5.496 1.00 0.00 C ATOM 1047 O VAL A 73 -10.714 -1.234 4.649 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.683 -3.882 5.692 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -9.817 -4.745 5.135 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.325 -4.553 5.474 1.00 0.00 C ATOM 0 H VAL A 73 -6.962 -2.180 6.198 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.760 -2.615 3.998 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.837 -3.779 6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.776 -5.736 5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.775 -4.280 5.366 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.708 -4.835 4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.335 -5.547 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.128 -4.637 4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.544 -3.953 5.941 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.066 -1.483 6.801 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.184 -0.728 7.341 1.00 0.00 C ATOM 1062 C GLU A 74 -11.371 0.575 6.562 1.00 0.00 C ATOM 1063 O GLU A 74 -12.499 1.013 6.340 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.989 -0.452 8.833 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.989 -1.754 9.637 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.935 -1.658 10.836 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.957 -0.951 10.697 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.616 -2.294 11.863 1.00 0.00 O ATOM 0 H GLU A 74 -9.417 -1.844 7.501 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.088 -1.327 7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.048 0.076 8.989 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.784 0.201 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.292 -2.582 8.996 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.979 -1.972 9.983 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.248 1.157 6.168 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.274 2.402 5.418 1.00 0.00 C ATOM 1077 C VAL A 75 -10.568 2.099 3.947 1.00 0.00 C ATOM 1078 O VAL A 75 -11.259 2.867 3.278 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.963 3.163 5.621 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.957 4.469 4.824 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.706 3.426 7.106 1.00 0.00 C ATOM 0 H VAL A 75 -9.315 0.790 6.354 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.070 3.051 5.782 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.152 2.538 5.246 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.013 4.990 4.986 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.072 4.248 3.763 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.782 5.101 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.768 3.968 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.522 4.020 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.645 2.477 7.638 1.00 0.00 H new ATOM 1091 N GLN A 76 -10.029 0.980 3.486 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.225 0.567 2.107 1.00 0.00 C ATOM 1093 C GLN A 76 -11.684 0.169 1.874 1.00 0.00 C ATOM 1094 O GLN A 76 -12.230 0.401 0.796 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.279 -0.577 1.738 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.834 -1.391 0.567 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.707 -1.868 -0.351 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.048 -1.092 -1.024 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.523 -3.186 -0.342 1.00 0.00 N ATOM 0 H GLN A 76 -9.456 0.346 4.043 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.991 1.411 1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.301 -0.174 1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.134 -1.227 2.601 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.387 -2.250 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.539 -0.784 -0.001 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.110 -3.779 0.245 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.795 -3.603 -0.922 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.274 -0.422 2.902 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.659 -0.855 2.823 1.00 0.00 C ATOM 1110 C ALA A 77 -14.576 0.368 2.903 1.00 0.00 C ATOM 1111 O ALA A 77 -15.651 0.382 2.306 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.942 -1.869 3.933 1.00 0.00 C ATOM 0 H ALA A 77 -11.818 -0.611 3.795 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.852 -1.351 1.872 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.981 -2.193 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.285 -2.731 3.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.762 -1.406 4.903 1.00 0.00 H new ATOM 1118 N ALA A 78 -14.116 1.365 3.645 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.881 2.589 3.811 1.00 0.00 C ATOM 1120 C ALA A 78 -14.953 3.325 2.471 1.00 0.00 C ATOM 1121 O ALA A 78 -15.890 4.084 2.226 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.248 3.442 4.912 1.00 0.00 C ATOM 0 H ALA A 78 -13.223 1.350 4.138 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.902 2.365 4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.822 4.360 5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.247 2.885 5.849 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.223 3.690 4.636 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.952 3.076 1.641 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.890 3.705 0.333 1.00 0.00 C ATOM 1130 C TRP A 79 -15.157 3.324 -0.436 1.00 0.00 C ATOM 1131 O TRP A 79 -15.654 2.207 -0.305 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.606 3.318 -0.403 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.337 3.929 0.196 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.244 4.881 1.135 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.976 3.590 -0.144 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.928 5.179 1.424 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.132 4.369 0.622 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.475 2.656 -1.067 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.737 4.293 0.542 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.078 2.593 -1.135 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.215 3.370 -0.371 1.00 0.00 C ATOM 0 H TRP A 79 -13.177 2.447 1.849 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.854 4.790 0.430 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.511 2.232 -0.400 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.689 3.627 -1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.092 5.355 1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.600 5.867 2.102 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.117 2.036 -1.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -7.098 4.914 1.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.640 1.892 -1.830 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.146 3.262 -0.482 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.656 4.299 -1.242 1.00 0.00 N ATOM 1153 CA PRO A 80 -16.855 4.077 -2.031 1.00 0.00 C ATOM 1154 C PRO A 80 -16.560 3.184 -3.238 1.00 0.00 C ATOM 1155 O PRO A 80 -15.400 2.979 -3.594 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.331 5.466 -2.423 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.135 6.385 -2.236 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.094 5.635 -1.422 1.00 0.00 C ATOM 0 HA PRO A 80 -17.630 3.546 -1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.678 5.483 -3.456 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.168 5.782 -1.800 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.725 6.679 -3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.433 7.300 -1.724 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.137 5.595 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.915 6.122 -0.463 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.629 2.676 -3.834 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.498 1.809 -4.993 1.00 0.00 C ATOM 1168 C VAL A 81 -16.872 2.597 -6.145 1.00 0.00 C ATOM 1169 O VAL A 81 -15.738 2.331 -6.539 1.00 0.00 O ATOM 1170 CB VAL A 81 -18.858 1.206 -5.350 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -18.822 0.555 -6.735 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.311 0.205 -4.286 1.00 0.00 C ATOM 0 H VAL A 81 -18.589 2.848 -3.536 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.834 0.973 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.586 2.016 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -19.801 0.134 -6.965 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -18.565 1.305 -7.483 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -18.075 -0.238 -6.745 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -20.280 -0.208 -4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.581 -0.601 -4.210 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -19.395 0.710 -3.324 1.00 0.00 H new ATOM 1182 N GLY A 82 -17.638 3.551 -6.653 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.173 4.379 -7.753 1.00 0.00 C ATOM 1184 C GLY A 82 -15.873 5.097 -7.386 1.00 0.00 C ATOM 1185 O GLY A 82 -15.068 5.417 -8.259 1.00 0.00 O ATOM 0 H GLY A 82 -18.578 3.769 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.014 3.761 -8.637 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.938 5.112 -8.010 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.708 5.330 -6.092 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.519 6.005 -5.598 1.00 0.00 C ATOM 1191 C GLY A 83 -13.256 5.437 -6.249 1.00 0.00 C ATOM 1192 O GLY A 83 -12.474 6.177 -6.843 1.00 0.00 O ATOM 0 H GLY A 83 -16.378 5.063 -5.370 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -14.590 7.073 -5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.456 5.893 -4.516 1.00 0.00 H new ATOM 1196 N ASP A 84 -13.097 4.129 -6.114 1.00 0.00 N ATOM 1197 CA ASP A 84 -11.943 3.453 -6.682 1.00 0.00 C ATOM 1198 C ASP A 84 -10.666 4.026 -6.062 1.00 0.00 C ATOM 1199 O ASP A 84 -9.628 4.089 -6.718 1.00 0.00 O ATOM 1200 CB ASP A 84 -11.870 3.664 -8.195 1.00 0.00 C ATOM 1201 CG ASP A 84 -12.992 3.000 -8.995 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -13.484 1.953 -8.522 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -13.332 3.554 -10.063 1.00 0.00 O ATOM 0 H ASP A 84 -13.748 3.519 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.039 2.388 -6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -11.884 4.735 -8.398 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.914 3.283 -8.554 1.00 0.00 H new ATOM 1208 N SER A 85 -10.786 4.429 -4.806 1.00 0.00 N ATOM 1209 CA SER A 85 -9.655 4.995 -4.091 1.00 0.00 C ATOM 1210 C SER A 85 -8.515 3.976 -4.025 1.00 0.00 C ATOM 1211 O SER A 85 -8.728 2.786 -4.248 1.00 0.00 O ATOM 1212 CB SER A 85 -10.057 5.433 -2.681 1.00 0.00 C ATOM 1213 OG SER A 85 -10.855 6.614 -2.696 1.00 0.00 O ATOM 0 H SER A 85 -11.649 4.375 -4.265 1.00 0.00 H new ATOM 0 HA SER A 85 -9.315 5.877 -4.633 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.609 4.629 -2.195 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.160 5.609 -2.086 1.00 0.00 H new ATOM 0 HG SER A 85 -10.317 7.376 -2.396 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.329 4.482 -3.717 1.00 0.00 N ATOM 1220 CA ARG A 86 -6.156 3.631 -3.619 1.00 0.00 C ATOM 1221 C ARG A 86 -5.183 4.187 -2.577 1.00 0.00 C ATOM 1222 O ARG A 86 -5.413 5.257 -2.017 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.441 3.522 -4.967 1.00 0.00 C ATOM 1224 CG ARG A 86 -5.277 4.898 -5.614 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.800 5.285 -5.714 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.372 5.288 -7.131 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.844 6.135 -8.056 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -4.762 7.051 -7.720 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -3.399 6.065 -9.318 1.00 0.00 N ATOM 0 H ARG A 86 -7.156 5.470 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.490 2.639 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.462 3.063 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -6.007 2.869 -5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.723 4.892 -6.609 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.813 5.645 -5.029 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.644 6.271 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.192 4.583 -5.143 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.674 4.603 -7.421 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.102 7.104 -6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.121 7.696 -8.424 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.701 5.367 -9.575 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.758 6.710 -10.022 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.116 3.434 -2.349 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.108 3.838 -1.384 1.00 0.00 C ATOM 1245 C PHE A 87 -1.792 4.190 -2.082 1.00 0.00 C ATOM 1246 O PHE A 87 -1.413 3.549 -3.061 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.875 2.646 -0.454 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.921 2.508 0.654 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -4.001 3.449 1.633 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.769 1.445 0.661 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.971 3.321 2.662 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.739 1.317 1.690 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.820 2.258 2.669 1.00 0.00 C ATOM 0 H PHE A 87 -3.928 2.547 -2.816 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.447 4.719 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.866 1.732 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.889 2.740 0.001 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.327 4.293 1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.705 0.698 -0.116 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.035 4.068 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.412 0.473 1.695 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.558 2.161 3.452 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.131 5.208 -1.550 1.00 0.00 N ATOM 1264 CA VAL A 88 0.134 5.653 -2.109 1.00 0.00 C ATOM 1265 C VAL A 88 1.176 5.744 -0.992 1.00 0.00 C ATOM 1266 O VAL A 88 0.861 6.157 0.123 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.060 6.974 -2.855 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.267 7.483 -3.422 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.109 6.832 -3.960 1.00 0.00 C ATOM 0 H VAL A 88 -1.448 5.737 -0.738 1.00 0.00 H new ATOM 0 HA VAL A 88 0.503 4.934 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.425 7.711 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.101 8.423 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.974 7.642 -2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.673 6.746 -4.115 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.227 7.786 -4.474 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.786 6.073 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.062 6.536 -3.521 1.00 0.00 H new ATOM 1279 N PHE A 89 2.395 5.352 -1.331 1.00 0.00 N ATOM 1280 CA PHE A 89 3.485 5.384 -0.371 1.00 0.00 C ATOM 1281 C PHE A 89 4.332 6.646 -0.545 1.00 0.00 C ATOM 1282 O PHE A 89 4.924 6.860 -1.602 1.00 0.00 O ATOM 1283 CB PHE A 89 4.358 4.157 -0.644 1.00 0.00 C ATOM 1284 CG PHE A 89 5.306 3.801 0.503 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.845 3.770 1.782 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.611 3.516 0.243 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.725 3.439 2.846 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.491 3.185 1.307 1.00 0.00 C ATOM 1289 CZ PHE A 89 7.030 3.153 2.586 1.00 0.00 C ATOM 0 H PHE A 89 2.652 5.011 -2.257 1.00 0.00 H new ATOM 0 HA PHE A 89 3.087 5.383 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.713 3.302 -0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.945 4.334 -1.545 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.810 3.997 1.988 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.977 3.542 -0.773 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.359 3.414 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.527 2.959 1.101 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.699 2.901 3.395 1.00 0.00 H new ATOM 1299 N ARG A 90 4.363 7.450 0.508 1.00 0.00 N ATOM 1300 CA ARG A 90 5.127 8.685 0.485 1.00 0.00 C ATOM 1301 C ARG A 90 5.468 9.125 1.911 1.00 0.00 C ATOM 1302 O ARG A 90 4.693 8.895 2.837 1.00 0.00 O ATOM 1303 CB ARG A 90 4.348 9.802 -0.213 1.00 0.00 C ATOM 1304 CG ARG A 90 2.906 9.865 0.294 1.00 0.00 C ATOM 1305 CD ARG A 90 1.950 10.291 -0.822 1.00 0.00 C ATOM 1306 NE ARG A 90 2.246 11.680 -1.238 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.504 12.378 -2.109 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.418 11.820 -2.661 1.00 0.00 N ATOM 1309 NH2 ARG A 90 1.848 13.633 -2.429 1.00 0.00 N ATOM 0 H ARG A 90 3.871 7.270 1.383 1.00 0.00 H new ATOM 0 HA ARG A 90 6.046 8.496 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.841 10.758 -0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.351 9.634 -1.290 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.609 8.889 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.839 10.569 1.124 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.049 9.618 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.919 10.218 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 90 3.066 12.135 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.156 10.864 -2.418 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.147 12.351 -3.324 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.675 14.058 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.283 14.163 -3.092 1.00 0.00 H new ATOM 1323 N LYS A 91 6.628 9.751 2.041 1.00 0.00 N ATOM 1324 CA LYS A 91 7.081 10.225 3.338 1.00 0.00 C ATOM 1325 C LYS A 91 6.741 11.710 3.480 1.00 0.00 C ATOM 1326 O LYS A 91 6.549 12.203 4.590 1.00 0.00 O ATOM 1327 CB LYS A 91 8.566 9.913 3.534 1.00 0.00 C ATOM 1328 CG LYS A 91 9.403 10.483 2.387 1.00 0.00 C ATOM 1329 CD LYS A 91 10.865 10.649 2.805 1.00 0.00 C ATOM 1330 CE LYS A 91 11.807 10.087 1.739 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.674 11.157 1.197 1.00 0.00 N ATOM 0 H LYS A 91 7.268 9.941 1.270 1.00 0.00 H new ATOM 0 HA LYS A 91 6.560 9.700 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.907 10.332 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.710 8.834 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.341 9.821 1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.997 11.447 2.080 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.083 11.705 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.036 10.138 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.421 9.296 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.227 9.638 0.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.307 10.758 0.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.084 11.899 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.241 11.567 1.966 1.00 0.00 H new