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= 0.636 K(o=-11,f=-17) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.5! C(o=-11!,f=-12!) USER MOD Set 1.3: A 85 SER OG : rot -56:sc= 1.29 USER MOD Single : A 10 HIS : no HE2:sc=-0.000701 X(o=-0.0007,f=-0.22) 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 14:sc= 0.235 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 119:sc= 0.746 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 34:sc= -1.26 USER MOD Single : A 38 MET CE :methyl -138:sc= -1.34 (180deg=-5.83!) USER MOD Single : A 56 CYS SG : rot 180:sc= -2.54 USER MOD Single : A 69 HIS : no HD1:sc= -0.365 X(o=-0.37,f=0.071) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.14 K(o=-1.1,f=-5.3!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -10.060 -14.777 1.961 1.00 0.00 N ATOM 67 CA ARG A 8 -8.874 -14.539 1.156 1.00 0.00 C ATOM 68 C ARG A 8 -8.098 -13.337 1.698 1.00 0.00 C ATOM 69 O ARG A 8 -8.658 -12.497 2.401 1.00 0.00 O ATOM 70 CB ARG A 8 -9.243 -14.282 -0.306 1.00 0.00 C ATOM 71 CG ARG A 8 -9.663 -15.579 -1.001 1.00 0.00 C ATOM 72 CD ARG A 8 -11.136 -15.528 -1.412 1.00 0.00 C ATOM 73 NE ARG A 8 -11.288 -15.989 -2.811 1.00 0.00 N ATOM 74 CZ ARG A 8 -12.365 -15.746 -3.569 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.393 -15.047 -3.069 1.00 0.00 N ATOM 76 NH2 ARG A 8 -12.416 -16.204 -4.827 1.00 0.00 N ATOM 0 HA ARG A 8 -8.252 -15.432 1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.056 -13.558 -0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.392 -13.844 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.041 -15.742 -1.881 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.497 -16.424 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -11.729 -16.156 -0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.515 -14.511 -1.312 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.525 -16.525 -3.223 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.355 -14.700 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.213 -14.862 -3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -11.635 -16.738 -5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.236 -16.019 -5.404 1.00 0.00 H new ATOM 90 N PRO A 9 -6.786 -13.291 1.341 1.00 0.00 N ATOM 91 CA PRO A 9 -5.927 -12.206 1.784 1.00 0.00 C ATOM 92 C PRO A 9 -6.220 -10.923 1.004 1.00 0.00 C ATOM 93 O PRO A 9 -7.038 -10.923 0.085 1.00 0.00 O ATOM 94 CB PRO A 9 -4.511 -12.716 1.578 1.00 0.00 C ATOM 95 CG PRO A 9 -4.623 -13.876 0.601 1.00 0.00 C ATOM 96 CD PRO A 9 -6.089 -14.268 0.510 1.00 0.00 C ATOM 0 HA PRO A 9 -6.091 -11.938 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.867 -11.931 1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.072 -13.041 2.521 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.243 -13.588 -0.379 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.022 -14.720 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.444 -14.237 -0.520 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.251 -15.283 0.872 1.00 0.00 H new ATOM 104 N HIS A 10 -5.535 -9.859 1.398 1.00 0.00 N ATOM 105 CA HIS A 10 -5.711 -8.572 0.747 1.00 0.00 C ATOM 106 C HIS A 10 -4.430 -8.195 0.000 1.00 0.00 C ATOM 107 O HIS A 10 -3.379 -8.013 0.614 1.00 0.00 O ATOM 108 CB HIS A 10 -6.143 -7.507 1.758 1.00 0.00 C ATOM 109 CG HIS A 10 -7.444 -7.817 2.457 1.00 0.00 C ATOM 110 ND1 HIS A 10 -8.654 -7.900 1.789 1.00 0.00 N ATOM 111 CD2 HIS A 10 -7.713 -8.064 3.772 1.00 0.00 C ATOM 112 CE1 HIS A 10 -9.600 -8.184 2.672 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.015 -8.284 3.900 1.00 0.00 N ATOM 0 H HIS A 10 -4.857 -9.862 2.160 1.00 0.00 H new ATOM 0 HA HIS A 10 -6.513 -8.639 0.011 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.359 -7.392 2.506 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.237 -6.550 1.245 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -8.793 -7.765 0.788 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.989 -8.078 4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.650 -8.314 2.457 1.00 0.00 H new ATOM 121 N VAL A 11 -4.559 -8.089 -1.314 1.00 0.00 N ATOM 122 CA VAL A 11 -3.425 -7.738 -2.151 1.00 0.00 C ATOM 123 C VAL A 11 -3.359 -6.216 -2.301 1.00 0.00 C ATOM 124 O VAL A 11 -2.985 -5.709 -3.357 1.00 0.00 O ATOM 125 CB VAL A 11 -3.518 -8.467 -3.493 1.00 0.00 C ATOM 126 CG1 VAL A 11 -3.937 -9.926 -3.296 1.00 0.00 C ATOM 127 CG2 VAL A 11 -4.476 -7.746 -4.444 1.00 0.00 C ATOM 0 H VAL A 11 -5.432 -8.240 -1.820 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.493 -8.060 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.527 -8.460 -3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.996 -10.422 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.202 -10.435 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.912 -9.962 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.524 -8.285 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.470 -7.707 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.118 -6.732 -4.622 1.00 0.00 H new ATOM 137 N VAL A 12 -3.729 -5.532 -1.229 1.00 0.00 N ATOM 138 CA VAL A 12 -3.717 -4.079 -1.228 1.00 0.00 C ATOM 139 C VAL A 12 -2.587 -3.581 -2.132 1.00 0.00 C ATOM 140 O VAL A 12 -1.452 -4.043 -2.023 1.00 0.00 O ATOM 141 CB VAL A 12 -3.610 -3.557 0.206 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.873 -2.051 0.263 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.558 -4.315 1.138 1.00 0.00 C ATOM 0 H VAL A 12 -4.039 -5.957 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.651 -3.690 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.591 -3.732 0.550 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.791 -1.706 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.140 -1.530 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.876 -1.842 -0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.462 -3.924 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.585 -4.187 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.303 -5.375 1.132 1.00 0.00 H new ATOM 153 N LYS A 13 -2.936 -2.647 -3.003 1.00 0.00 N ATOM 154 CA LYS A 13 -1.965 -2.082 -3.925 1.00 0.00 C ATOM 155 C LYS A 13 -1.500 -0.723 -3.399 1.00 0.00 C ATOM 156 O LYS A 13 -2.320 0.135 -3.074 1.00 0.00 O ATOM 157 CB LYS A 13 -2.539 -2.030 -5.342 1.00 0.00 C ATOM 158 CG LYS A 13 -2.901 -3.431 -5.839 1.00 0.00 C ATOM 159 CD LYS A 13 -2.985 -3.466 -7.367 1.00 0.00 C ATOM 160 CE LYS A 13 -1.590 -3.543 -7.991 1.00 0.00 C ATOM 161 NZ LYS A 13 -1.605 -4.413 -9.188 1.00 0.00 N ATOM 0 H LYS A 13 -3.878 -2.267 -3.090 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.083 -2.719 -3.987 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.425 -1.395 -5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.812 -1.578 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.154 -4.147 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.856 -3.737 -5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.576 -4.325 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.500 -2.575 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.252 -2.544 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.880 -3.931 -7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.651 -4.454 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.907 -5.371 -8.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.268 -4.026 -9.890 1.00 0.00 H new ATOM 175 N VAL A 14 -0.186 -0.568 -3.331 1.00 0.00 N ATOM 176 CA VAL A 14 0.398 0.672 -2.850 1.00 0.00 C ATOM 177 C VAL A 14 1.259 1.288 -3.955 1.00 0.00 C ATOM 178 O VAL A 14 2.369 0.825 -4.213 1.00 0.00 O ATOM 179 CB VAL A 14 1.176 0.418 -1.558 1.00 0.00 C ATOM 180 CG1 VAL A 14 2.105 1.591 -1.237 1.00 0.00 C ATOM 181 CG2 VAL A 14 0.227 0.135 -0.392 1.00 0.00 C ATOM 0 H VAL A 14 0.491 -1.281 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.383 1.392 -2.607 1.00 0.00 H new ATOM 0 HB VAL A 14 1.794 -0.467 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.646 1.384 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.816 1.725 -2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.515 2.500 -1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.807 -0.042 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.430 0.992 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.373 -0.747 -0.617 1.00 0.00 H new ATOM 191 N TYR A 15 0.714 2.322 -4.579 1.00 0.00 N ATOM 192 CA TYR A 15 1.418 3.005 -5.650 1.00 0.00 C ATOM 193 C TYR A 15 2.450 3.986 -5.090 1.00 0.00 C ATOM 194 O TYR A 15 2.220 4.612 -4.057 1.00 0.00 O ATOM 195 CB TYR A 15 0.354 3.789 -6.421 1.00 0.00 C ATOM 196 CG TYR A 15 -0.613 2.910 -7.216 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.729 2.379 -6.600 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.370 2.647 -8.549 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.639 1.552 -7.348 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.280 1.819 -9.297 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.370 1.312 -8.660 1.00 0.00 C ATOM 202 OH TYR A 15 -3.230 0.530 -9.366 1.00 0.00 O ATOM 0 H TYR A 15 -0.207 2.703 -4.363 1.00 0.00 H new ATOM 0 HA TYR A 15 1.948 2.289 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.217 4.395 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.850 4.477 -7.106 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.919 2.584 -5.557 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.503 3.062 -9.031 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.516 1.131 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.101 1.605 -10.340 1.00 0.00 H new ATOM 0 HH TYR A 15 -2.913 0.446 -10.289 1.00 0.00 H new ATOM 212 N SER A 16 3.567 4.088 -5.796 1.00 0.00 N ATOM 213 CA SER A 16 4.635 4.981 -5.382 1.00 0.00 C ATOM 214 C SER A 16 4.640 6.234 -6.261 1.00 0.00 C ATOM 215 O SER A 16 4.255 6.179 -7.428 1.00 0.00 O ATOM 216 CB SER A 16 5.994 4.281 -5.448 1.00 0.00 C ATOM 217 OG SER A 16 6.484 3.944 -4.153 1.00 0.00 O ATOM 0 H SER A 16 3.755 3.567 -6.652 1.00 0.00 H new ATOM 0 HA SER A 16 4.456 5.272 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.907 3.376 -6.050 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.712 4.930 -5.950 1.00 0.00 H new ATOM 0 HG SER A 16 7.352 3.498 -4.238 1.00 0.00 H new ATOM 223 N GLU A 17 5.080 7.333 -5.666 1.00 0.00 N ATOM 224 CA GLU A 17 5.140 8.597 -6.380 1.00 0.00 C ATOM 225 C GLU A 17 5.708 8.386 -7.785 1.00 0.00 C ATOM 226 O GLU A 17 5.171 8.910 -8.760 1.00 0.00 O ATOM 227 CB GLU A 17 5.964 9.626 -5.604 1.00 0.00 C ATOM 228 CG GLU A 17 5.057 10.636 -4.899 1.00 0.00 C ATOM 229 CD GLU A 17 5.635 12.050 -4.989 1.00 0.00 C ATOM 230 OE1 GLU A 17 6.783 12.223 -4.524 1.00 0.00 O ATOM 231 OE2 GLU A 17 4.918 12.924 -5.520 1.00 0.00 O ATOM 0 H GLU A 17 5.398 7.374 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 17 4.127 8.988 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.588 9.118 -4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.635 10.148 -6.286 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.065 10.616 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.937 10.354 -3.853 1.00 0.00 H new ATOM 238 N ASP A 18 6.787 7.619 -7.844 1.00 0.00 N ATOM 239 CA ASP A 18 7.434 7.333 -9.113 1.00 0.00 C ATOM 240 C ASP A 18 6.410 6.730 -10.077 1.00 0.00 C ATOM 241 O ASP A 18 6.358 7.105 -11.248 1.00 0.00 O ATOM 242 CB ASP A 18 8.570 6.325 -8.938 1.00 0.00 C ATOM 243 CG ASP A 18 9.975 6.886 -9.170 1.00 0.00 C ATOM 244 OD1 ASP A 18 10.274 7.197 -10.343 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.717 6.990 -8.170 1.00 0.00 O ATOM 0 H ASP A 18 7.229 7.187 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 18 7.839 8.267 -9.503 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.521 5.916 -7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.408 5.495 -9.626 1.00 0.00 H new ATOM 250 N GLY A 19 5.622 5.805 -9.550 1.00 0.00 N ATOM 251 CA GLY A 19 4.603 5.146 -10.349 1.00 0.00 C ATOM 252 C GLY A 19 4.596 3.637 -10.093 1.00 0.00 C ATOM 253 O GLY A 19 3.564 2.984 -10.240 1.00 0.00 O ATOM 0 H GLY A 19 5.669 5.496 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.624 5.563 -10.112 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.784 5.338 -11.406 1.00 0.00 H new ATOM 257 N ALA A 20 5.759 3.128 -9.712 1.00 0.00 N ATOM 258 CA ALA A 20 5.899 1.709 -9.434 1.00 0.00 C ATOM 259 C ALA A 20 4.814 1.278 -8.445 1.00 0.00 C ATOM 260 O ALA A 20 4.783 1.747 -7.309 1.00 0.00 O ATOM 261 CB ALA A 20 7.309 1.429 -8.910 1.00 0.00 C ATOM 0 H ALA A 20 6.612 3.673 -9.589 1.00 0.00 H new ATOM 0 HA ALA A 20 5.767 1.124 -10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.415 0.364 -8.701 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.042 1.726 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.476 1.997 -7.995 1.00 0.00 H new ATOM 267 N CYS A 21 3.950 0.389 -8.914 1.00 0.00 N ATOM 268 CA CYS A 21 2.866 -0.110 -8.086 1.00 0.00 C ATOM 269 C CYS A 21 3.296 -1.453 -7.490 1.00 0.00 C ATOM 270 O CYS A 21 4.021 -2.215 -8.128 1.00 0.00 O ATOM 271 CB CYS A 21 1.560 -0.228 -8.874 1.00 0.00 C ATOM 272 SG CYS A 21 1.679 -1.596 -10.083 1.00 0.00 S ATOM 0 H CYS A 21 3.979 0.002 -9.857 1.00 0.00 H new ATOM 0 HA CYS A 21 2.665 0.597 -7.281 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.729 -0.406 -8.192 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.352 0.709 -9.392 1.00 0.00 H new ATOM 0 HG CYS A 21 2.709 -2.337 -9.800 1.00 0.00 H new ATOM 278 N ARG A 22 2.831 -1.701 -6.275 1.00 0.00 N ATOM 279 CA ARG A 22 3.159 -2.938 -5.586 1.00 0.00 C ATOM 280 C ARG A 22 1.998 -3.367 -4.686 1.00 0.00 C ATOM 281 O ARG A 22 1.282 -2.525 -4.147 1.00 0.00 O ATOM 282 CB ARG A 22 4.421 -2.778 -4.737 1.00 0.00 C ATOM 283 CG ARG A 22 4.192 -1.785 -3.596 1.00 0.00 C ATOM 284 CD ARG A 22 5.471 -1.006 -3.283 1.00 0.00 C ATOM 285 NE ARG A 22 6.594 -1.944 -3.062 1.00 0.00 N ATOM 286 CZ ARG A 22 7.491 -2.277 -4.001 1.00 0.00 C ATOM 287 NH1 ARG A 22 7.401 -1.750 -5.230 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.477 -3.137 -3.711 1.00 0.00 N ATOM 0 H ARG A 22 2.230 -1.067 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 22 3.339 -3.702 -6.343 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.714 -3.745 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.244 -2.434 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.396 -1.091 -3.867 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.860 -2.319 -2.706 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.706 -0.332 -4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.323 -0.388 -2.397 1.00 0.00 H new ATOM 0 HE ARG A 22 6.692 -2.363 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.650 -1.096 -5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.083 -2.003 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.545 -3.538 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.159 -3.390 -4.426 1.00 0.00 H new ATOM 302 N SER A 23 1.849 -4.677 -4.552 1.00 0.00 N ATOM 303 CA SER A 23 0.788 -5.228 -3.727 1.00 0.00 C ATOM 304 C SER A 23 1.387 -5.988 -2.542 1.00 0.00 C ATOM 305 O SER A 23 2.465 -6.571 -2.655 1.00 0.00 O ATOM 306 CB SER A 23 -0.122 -6.150 -4.542 1.00 0.00 C ATOM 307 OG SER A 23 0.623 -7.052 -5.356 1.00 0.00 O ATOM 0 H SER A 23 2.445 -5.372 -5.001 1.00 0.00 H new ATOM 0 HA SER A 23 0.183 -4.402 -3.353 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.763 -6.716 -3.866 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.776 -5.548 -5.173 1.00 0.00 H new ATOM 0 HG SER A 23 0.007 -7.624 -5.859 1.00 0.00 H new ATOM 313 N VAL A 24 0.664 -5.957 -1.433 1.00 0.00 N ATOM 314 CA VAL A 24 1.111 -6.635 -0.228 1.00 0.00 C ATOM 315 C VAL A 24 -0.041 -7.464 0.343 1.00 0.00 C ATOM 316 O VAL A 24 -1.144 -6.954 0.531 1.00 0.00 O ATOM 317 CB VAL A 24 1.666 -5.617 0.770 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.060 -5.144 0.353 1.00 0.00 C ATOM 319 CG2 VAL A 24 0.712 -4.432 0.933 1.00 0.00 C ATOM 0 H VAL A 24 -0.229 -5.473 -1.343 1.00 0.00 H new ATOM 0 HA VAL A 24 1.925 -7.323 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 24 1.755 -6.111 1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.431 -4.421 1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.737 -5.998 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.006 -4.676 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.131 -3.724 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.576 -3.939 -0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.252 -4.788 1.297 1.00 0.00 H new ATOM 329 N GLU A 25 0.254 -8.730 0.601 1.00 0.00 N ATOM 330 CA GLU A 25 -0.743 -9.635 1.147 1.00 0.00 C ATOM 331 C GLU A 25 -0.913 -9.395 2.648 1.00 0.00 C ATOM 332 O GLU A 25 -0.009 -9.678 3.432 1.00 0.00 O ATOM 333 CB GLU A 25 -0.374 -11.092 0.863 1.00 0.00 C ATOM 334 CG GLU A 25 -1.241 -11.668 -0.259 1.00 0.00 C ATOM 335 CD GLU A 25 -1.290 -13.196 -0.185 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.623 -13.700 0.909 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.993 -13.824 -1.224 1.00 0.00 O ATOM 0 H GLU A 25 1.170 -9.150 0.442 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.696 -9.433 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.678 -11.157 0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.502 -11.686 1.768 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.251 -11.264 -0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.843 -11.360 -1.226 1.00 0.00 H new ATOM 344 N VAL A 26 -2.079 -8.875 3.003 1.00 0.00 N ATOM 345 CA VAL A 26 -2.380 -8.594 4.397 1.00 0.00 C ATOM 346 C VAL A 26 -3.807 -9.048 4.708 1.00 0.00 C ATOM 347 O VAL A 26 -4.679 -9.006 3.841 1.00 0.00 O ATOM 348 CB VAL A 26 -2.146 -7.112 4.694 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.651 -6.802 4.795 1.00 0.00 C ATOM 350 CG2 VAL A 26 -2.819 -6.229 3.641 1.00 0.00 C ATOM 0 H VAL A 26 -2.826 -8.641 2.350 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.712 -9.153 5.052 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.600 -6.888 5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.513 -5.742 5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.210 -7.393 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.163 -7.050 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.637 -5.180 3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.408 -6.457 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.892 -6.420 3.638 1.00 0.00 H new ATOM 360 N ALA A 27 -4.002 -9.472 5.948 1.00 0.00 N ATOM 361 CA ALA A 27 -5.309 -9.933 6.385 1.00 0.00 C ATOM 362 C ALA A 27 -6.076 -8.764 7.006 1.00 0.00 C ATOM 363 O ALA A 27 -5.520 -7.684 7.198 1.00 0.00 O ATOM 364 CB ALA A 27 -5.140 -11.102 7.357 1.00 0.00 C ATOM 0 H ALA A 27 -3.277 -9.506 6.664 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.891 -10.296 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.121 -11.447 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.616 -11.917 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.563 -10.775 8.222 1.00 0.00 H new ATOM 370 N ALA A 28 -7.342 -9.020 7.304 1.00 0.00 N ATOM 371 CA ALA A 28 -8.191 -8.002 7.900 1.00 0.00 C ATOM 372 C ALA A 28 -7.734 -7.740 9.336 1.00 0.00 C ATOM 373 O ALA A 28 -8.473 -7.999 10.284 1.00 0.00 O ATOM 374 CB ALA A 28 -9.652 -8.449 7.826 1.00 0.00 C ATOM 0 H ALA A 28 -7.800 -9.917 7.144 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.109 -7.064 7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.289 -7.686 8.273 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.936 -8.594 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.774 -9.386 8.369 1.00 0.00 H new ATOM 380 N GLY A 29 -6.517 -7.228 9.451 1.00 0.00 N ATOM 381 CA GLY A 29 -5.952 -6.928 10.756 1.00 0.00 C ATOM 382 C GLY A 29 -4.812 -5.914 10.640 1.00 0.00 C ATOM 383 O GLY A 29 -4.754 -4.950 11.402 1.00 0.00 O ATOM 0 H GLY A 29 -5.907 -7.013 8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.729 -6.534 11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.583 -7.845 11.216 1.00 0.00 H new ATOM 387 N ALA A 30 -3.935 -6.165 9.679 1.00 0.00 N ATOM 388 CA ALA A 30 -2.800 -5.287 9.453 1.00 0.00 C ATOM 389 C ALA A 30 -3.289 -3.839 9.376 1.00 0.00 C ATOM 390 O ALA A 30 -4.467 -3.591 9.120 1.00 0.00 O ATOM 391 CB ALA A 30 -2.062 -5.721 8.186 1.00 0.00 C ATOM 0 H ALA A 30 -3.988 -6.964 9.048 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.093 -5.353 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.211 -5.062 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.710 -6.746 8.303 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.739 -5.665 7.333 1.00 0.00 H new ATOM 397 N THR A 31 -2.360 -2.921 9.600 1.00 0.00 N ATOM 398 CA THR A 31 -2.682 -1.505 9.559 1.00 0.00 C ATOM 399 C THR A 31 -1.732 -0.770 8.612 1.00 0.00 C ATOM 400 O THR A 31 -0.932 -1.397 7.920 1.00 0.00 O ATOM 401 CB THR A 31 -2.646 -0.970 10.992 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.257 -0.818 11.271 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.121 -2.004 12.015 1.00 0.00 C ATOM 0 H THR A 31 -1.384 -3.131 9.810 1.00 0.00 H new ATOM 0 HA THR A 31 -3.682 -1.338 9.160 1.00 0.00 H new ATOM 0 HB THR A 31 -3.268 -0.078 11.062 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.062 0.124 11.457 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.076 -1.574 13.015 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.148 -2.293 11.790 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.478 -2.883 11.969 1.00 0.00 H new ATOM 411 N ALA A 32 -1.851 0.550 8.613 1.00 0.00 N ATOM 412 CA ALA A 32 -1.013 1.377 7.762 1.00 0.00 C ATOM 413 C ALA A 32 0.434 1.303 8.253 1.00 0.00 C ATOM 414 O ALA A 32 1.347 1.781 7.580 1.00 0.00 O ATOM 415 CB ALA A 32 -1.552 2.809 7.751 1.00 0.00 C ATOM 0 H ALA A 32 -2.515 1.067 9.190 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.032 1.014 6.735 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.923 3.430 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.572 2.811 7.367 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.545 3.208 8.765 1.00 0.00 H new ATOM 421 N ARG A 33 0.599 0.701 9.421 1.00 0.00 N ATOM 422 CA ARG A 33 1.920 0.558 10.010 1.00 0.00 C ATOM 423 C ARG A 33 2.608 -0.697 9.471 1.00 0.00 C ATOM 424 O ARG A 33 3.823 -0.709 9.275 1.00 0.00 O ATOM 425 CB ARG A 33 1.837 0.472 11.535 1.00 0.00 C ATOM 426 CG ARG A 33 3.082 -0.204 12.114 1.00 0.00 C ATOM 427 CD ARG A 33 4.347 0.577 11.754 1.00 0.00 C ATOM 428 NE ARG A 33 5.153 0.823 12.971 1.00 0.00 N ATOM 429 CZ ARG A 33 5.778 -0.138 13.665 1.00 0.00 C ATOM 430 NH1 ARG A 33 5.692 -1.415 13.268 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.487 0.178 14.757 1.00 0.00 N ATOM 0 H ARG A 33 -0.160 0.306 9.976 1.00 0.00 H new ATOM 0 HA ARG A 33 2.501 1.439 9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.734 1.473 11.954 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.947 -0.088 11.824 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.991 -0.276 13.198 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.158 -1.222 11.733 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.934 0.018 11.025 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.079 1.525 11.288 1.00 0.00 H new ATOM 0 HE ARG A 33 5.238 1.784 13.302 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.151 -1.656 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.168 -2.146 13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.551 1.150 15.060 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.963 -0.553 15.285 1.00 0.00 H new ATOM 445 N HIS A 34 1.803 -1.725 9.247 1.00 0.00 N ATOM 446 CA HIS A 34 2.319 -2.983 8.735 1.00 0.00 C ATOM 447 C HIS A 34 2.818 -2.787 7.302 1.00 0.00 C ATOM 448 O HIS A 34 3.983 -3.049 7.005 1.00 0.00 O ATOM 449 CB HIS A 34 1.268 -4.089 8.850 1.00 0.00 C ATOM 450 CG HIS A 34 1.219 -4.749 10.207 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.921 -4.057 11.368 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.431 -6.045 10.576 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.956 -4.907 12.383 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.273 -6.139 11.891 1.00 0.00 N ATOM 0 H HIS A 34 0.796 -1.712 9.411 1.00 0.00 H new ATOM 0 HA HIS A 34 3.168 -3.304 9.339 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.287 -3.669 8.626 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.470 -4.848 8.095 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.685 -6.857 9.911 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.767 -4.667 13.419 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.372 -6.992 12.442 1.00 0.00 H new ATOM 462 N VAL A 35 1.912 -2.329 6.451 1.00 0.00 N ATOM 463 CA VAL A 35 2.246 -2.096 5.056 1.00 0.00 C ATOM 464 C VAL A 35 3.550 -1.299 4.975 1.00 0.00 C ATOM 465 O VAL A 35 4.525 -1.758 4.382 1.00 0.00 O ATOM 466 CB VAL A 35 1.079 -1.406 4.347 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.466 -0.996 2.925 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.164 -2.298 4.341 1.00 0.00 C ATOM 0 H VAL A 35 0.947 -2.113 6.700 1.00 0.00 H new ATOM 0 HA VAL A 35 2.410 -3.042 4.539 1.00 0.00 H new ATOM 0 HB VAL A 35 0.838 -0.500 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.619 -0.508 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.309 -0.306 2.962 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.747 -1.881 2.355 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.979 -1.784 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.059 -3.229 3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.459 -2.517 5.367 1.00 0.00 H new ATOM 478 N CYS A 36 3.524 -0.120 5.578 1.00 0.00 N ATOM 479 CA CYS A 36 4.692 0.744 5.581 1.00 0.00 C ATOM 480 C CYS A 36 5.928 -0.119 5.839 1.00 0.00 C ATOM 481 O CYS A 36 6.981 0.104 5.244 1.00 0.00 O ATOM 482 CB CYS A 36 4.559 1.871 6.608 1.00 0.00 C ATOM 483 SG CYS A 36 6.065 2.910 6.595 1.00 0.00 S ATOM 0 H CYS A 36 2.713 0.257 6.068 1.00 0.00 H new ATOM 0 HA CYS A 36 4.788 1.233 4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.685 2.481 6.380 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.405 1.452 7.602 1.00 0.00 H new ATOM 0 HG CYS A 36 6.538 2.973 5.386 1.00 0.00 H new ATOM 489 N GLU A 37 5.759 -1.088 6.728 1.00 0.00 N ATOM 490 CA GLU A 37 6.849 -1.986 7.072 1.00 0.00 C ATOM 491 C GLU A 37 7.028 -3.045 5.982 1.00 0.00 C ATOM 492 O GLU A 37 8.152 -3.351 5.588 1.00 0.00 O ATOM 493 CB GLU A 37 6.612 -2.637 8.436 1.00 0.00 C ATOM 494 CG GLU A 37 6.990 -1.684 9.572 1.00 0.00 C ATOM 495 CD GLU A 37 8.393 -1.990 10.099 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.708 -3.194 10.211 1.00 0.00 O ATOM 497 OE2 GLU A 37 9.120 -1.012 10.379 1.00 0.00 O ATOM 0 H GLU A 37 4.884 -1.271 7.220 1.00 0.00 H new ATOM 0 HA GLU A 37 7.768 -1.403 7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.564 -2.922 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.200 -3.552 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.947 -0.654 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.266 -1.772 10.382 1.00 0.00 H new ATOM 504 N MET A 38 5.902 -3.574 5.526 1.00 0.00 N ATOM 505 CA MET A 38 5.921 -4.593 4.489 1.00 0.00 C ATOM 506 C MET A 38 6.511 -4.041 3.190 1.00 0.00 C ATOM 507 O MET A 38 6.978 -4.803 2.344 1.00 0.00 O ATOM 508 CB MET A 38 4.496 -5.087 4.234 1.00 0.00 C ATOM 509 CG MET A 38 3.906 -5.733 5.489 1.00 0.00 C ATOM 510 SD MET A 38 3.702 -7.488 5.234 1.00 0.00 S ATOM 511 CE MET A 38 2.560 -7.471 3.862 1.00 0.00 C ATOM 0 H MET A 38 4.971 -3.317 5.855 1.00 0.00 H new ATOM 0 HA MET A 38 6.546 -5.419 4.827 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.869 -4.252 3.921 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.498 -5.808 3.416 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.561 -5.555 6.342 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.944 -5.277 5.725 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.796 -8.233 4.015 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.087 -6.491 3.795 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.099 -7.678 2.937 1.00 0.00 H new ATOM 521 N LEU A 39 6.471 -2.722 3.072 1.00 0.00 N ATOM 522 CA LEU A 39 6.996 -2.060 1.890 1.00 0.00 C ATOM 523 C LEU A 39 8.475 -1.736 2.107 1.00 0.00 C ATOM 524 O LEU A 39 9.337 -2.241 1.389 1.00 0.00 O ATOM 525 CB LEU A 39 6.144 -0.840 1.536 1.00 0.00 C ATOM 526 CG LEU A 39 4.652 -1.102 1.321 1.00 0.00 C ATOM 527 CD1 LEU A 39 3.878 0.210 1.186 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.426 -2.027 0.123 1.00 0.00 C ATOM 0 H LEU A 39 6.083 -2.094 3.776 1.00 0.00 H new ATOM 0 HA LEU A 39 6.938 -2.721 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.252 -0.103 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.548 -0.391 0.629 1.00 0.00 H new ATOM 0 HG LEU A 39 4.265 -1.614 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.820 -0.005 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.001 0.800 2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.260 0.772 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.357 -2.198 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.833 -1.564 -0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.926 -2.979 0.299 1.00 0.00 H new ATOM 540 N VAL A 40 8.724 -0.895 3.100 1.00 0.00 N ATOM 541 CA VAL A 40 10.084 -0.497 3.421 1.00 0.00 C ATOM 542 C VAL A 40 10.987 -1.732 3.416 1.00 0.00 C ATOM 543 O VAL A 40 12.066 -1.715 2.825 1.00 0.00 O ATOM 544 CB VAL A 40 10.109 0.256 4.752 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.486 1.646 4.607 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.409 -0.547 5.850 1.00 0.00 C ATOM 0 H VAL A 40 8.007 -0.478 3.693 1.00 0.00 H new ATOM 0 HA VAL A 40 10.468 0.190 2.667 1.00 0.00 H new ATOM 0 HB VAL A 40 11.151 0.385 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.516 2.160 5.568 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.047 2.221 3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.451 1.548 4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.441 0.011 6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.371 -0.722 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.915 -1.503 5.980 1.00 0.00 H new ATOM 705 N TRP A 51 7.230 7.444 7.953 1.00 0.00 N ATOM 706 CA TRP A 51 6.542 7.004 6.751 1.00 0.00 C ATOM 707 C TRP A 51 5.119 6.601 7.142 1.00 0.00 C ATOM 708 O TRP A 51 4.802 6.495 8.326 1.00 0.00 O ATOM 709 CB TRP A 51 7.313 5.879 6.058 1.00 0.00 C ATOM 710 CG TRP A 51 8.546 6.354 5.286 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.754 6.666 5.773 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.642 6.558 3.860 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.619 7.055 4.770 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.921 6.987 3.570 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.680 6.385 2.850 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.355 7.280 2.272 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.129 6.682 1.558 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.413 7.115 1.249 1.00 0.00 C ATOM 0 HA TRP A 51 6.487 7.811 6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.624 5.151 6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.643 5.363 5.370 1.00 0.00 H new ATOM 0 HD1 TRP A 51 10.018 6.619 6.819 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.591 7.340 4.888 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.674 6.049 3.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.362 7.615 2.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.429 6.567 0.744 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.683 7.323 0.224 1.00 0.00 H new ATOM 729 N GLY A 52 4.298 6.387 6.124 1.00 0.00 N ATOM 730 CA GLY A 52 2.916 5.998 6.346 1.00 0.00 C ATOM 731 C GLY A 52 2.223 5.656 5.025 1.00 0.00 C ATOM 732 O GLY A 52 2.875 5.247 4.066 1.00 0.00 O ATOM 0 H GLY A 52 4.564 6.476 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.880 5.137 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.382 6.808 6.842 1.00 0.00 H new ATOM 736 N LEU A 53 0.910 5.836 5.019 1.00 0.00 N ATOM 737 CA LEU A 53 0.122 5.551 3.831 1.00 0.00 C ATOM 738 C LEU A 53 -0.758 6.760 3.508 1.00 0.00 C ATOM 739 O LEU A 53 -1.137 7.514 4.403 1.00 0.00 O ATOM 740 CB LEU A 53 -0.661 4.249 4.008 1.00 0.00 C ATOM 741 CG LEU A 53 -0.040 3.002 3.376 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.000 1.813 3.452 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.415 3.281 1.942 1.00 0.00 C ATOM 0 H LEU A 53 0.372 6.175 5.817 1.00 0.00 H new ATOM 0 HA LEU A 53 0.772 5.390 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.788 4.067 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.657 4.387 3.588 1.00 0.00 H new ATOM 0 HG LEU A 53 0.848 2.736 3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.534 0.940 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.231 1.598 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.920 2.053 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.853 2.378 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.442 3.587 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.159 4.078 1.945 1.00 0.00 H new ATOM 755 N VAL A 54 -1.058 6.907 2.225 1.00 0.00 N ATOM 756 CA VAL A 54 -1.886 8.012 1.772 1.00 0.00 C ATOM 757 C VAL A 54 -2.869 7.505 0.715 1.00 0.00 C ATOM 758 O VAL A 54 -2.460 7.059 -0.355 1.00 0.00 O ATOM 759 CB VAL A 54 -1.004 9.156 1.269 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.837 10.208 0.535 1.00 0.00 C ATOM 761 CG2 VAL A 54 -0.214 9.786 2.418 1.00 0.00 C ATOM 0 H VAL A 54 -0.742 6.279 1.486 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.474 8.413 2.598 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.289 8.740 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.186 11.010 0.188 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.333 9.748 -0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.586 10.617 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.405 10.596 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.906 10.180 3.162 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.423 9.031 2.879 1.00 0.00 H new ATOM 771 N GLU A 55 -4.148 7.592 1.052 1.00 0.00 N ATOM 772 CA GLU A 55 -5.193 7.148 0.146 1.00 0.00 C ATOM 773 C GLU A 55 -5.441 8.203 -0.935 1.00 0.00 C ATOM 774 O GLU A 55 -5.697 9.365 -0.625 1.00 0.00 O ATOM 775 CB GLU A 55 -6.481 6.829 0.907 1.00 0.00 C ATOM 776 CG GLU A 55 -7.212 8.111 1.309 1.00 0.00 C ATOM 777 CD GLU A 55 -7.975 7.920 2.621 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.343 7.419 3.577 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.172 8.278 2.639 1.00 0.00 O ATOM 0 H GLU A 55 -4.484 7.964 1.941 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.861 6.230 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.132 6.215 0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.247 6.245 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.494 8.924 1.417 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.906 8.401 0.520 1.00 0.00 H new ATOM 786 N CYS A 56 -5.357 7.759 -2.180 1.00 0.00 N ATOM 787 CA CYS A 56 -5.570 8.650 -3.308 1.00 0.00 C ATOM 788 C CYS A 56 -6.910 8.295 -3.955 1.00 0.00 C ATOM 789 O CYS A 56 -7.285 7.124 -4.012 1.00 0.00 O ATOM 790 CB CYS A 56 -4.416 8.580 -4.310 1.00 0.00 C ATOM 791 SG CYS A 56 -3.295 10.007 -4.074 1.00 0.00 S ATOM 0 H CYS A 56 -5.144 6.794 -2.433 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.599 9.682 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.865 7.649 -4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.807 8.578 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.317 9.937 -4.928 1.00 0.00 H new ATOM 797 N HIS A 57 -7.595 9.326 -4.427 1.00 0.00 N ATOM 798 CA HIS A 57 -8.885 9.137 -5.068 1.00 0.00 C ATOM 799 C HIS A 57 -8.782 9.510 -6.548 1.00 0.00 C ATOM 800 O HIS A 57 -8.943 10.674 -6.911 1.00 0.00 O ATOM 801 CB HIS A 57 -9.976 9.919 -4.334 1.00 0.00 C ATOM 802 CG HIS A 57 -10.284 9.394 -2.952 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.419 8.045 -2.675 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.481 10.050 -1.773 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.685 7.907 -1.385 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.724 9.151 -0.827 1.00 0.00 N ATOM 0 H HIS A 57 -7.281 10.295 -4.378 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.172 8.087 -5.013 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.670 10.962 -4.255 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.888 9.898 -4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.445 11.120 -1.633 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.843 6.973 -0.866 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.909 9.357 0.155 1.00 0.00 H new ATOM 814 N PRO A 58 -8.508 8.473 -7.385 1.00 0.00 N ATOM 815 CA PRO A 58 -8.382 8.680 -8.817 1.00 0.00 C ATOM 816 C PRO A 58 -9.753 8.885 -9.465 1.00 0.00 C ATOM 817 O PRO A 58 -10.124 8.156 -10.383 1.00 0.00 O ATOM 818 CB PRO A 58 -7.660 7.445 -9.331 1.00 0.00 C ATOM 819 CG PRO A 58 -7.823 6.388 -8.251 1.00 0.00 C ATOM 820 CD PRO A 58 -8.311 7.081 -6.990 1.00 0.00 C ATOM 0 HA PRO A 58 -7.824 9.583 -9.064 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.087 7.108 -10.275 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.607 7.656 -9.515 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.535 5.626 -8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.875 5.882 -8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.238 6.637 -6.628 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.581 6.997 -6.184 1.00 0.00 H new ATOM 828 N HIS A 59 -10.467 9.880 -8.960 1.00 0.00 N ATOM 829 CA HIS A 59 -11.789 10.190 -9.478 1.00 0.00 C ATOM 830 C HIS A 59 -12.247 11.546 -8.939 1.00 0.00 C ATOM 831 O HIS A 59 -12.819 12.350 -9.674 1.00 0.00 O ATOM 832 CB HIS A 59 -12.774 9.063 -9.161 1.00 0.00 C ATOM 833 CG HIS A 59 -12.778 8.640 -7.711 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.623 8.319 -7.021 1.00 0.00 N ATOM 835 CD2 HIS A 59 -13.808 8.491 -6.829 1.00 0.00 C ATOM 836 CE1 HIS A 59 -11.954 7.991 -5.780 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.308 8.098 -5.664 1.00 0.00 N ATOM 0 H HIS A 59 -10.155 10.482 -8.198 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.749 10.265 -10.565 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.778 9.384 -9.438 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.533 8.199 -9.780 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -14.853 8.663 -7.042 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.271 7.692 -4.999 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.848 7.907 -4.820 1.00 0.00 H new ATOM 845 N LEU A 60 -11.978 11.760 -7.659 1.00 0.00 N ATOM 846 CA LEU A 60 -12.354 13.006 -7.013 1.00 0.00 C ATOM 847 C LEU A 60 -11.119 13.899 -6.878 1.00 0.00 C ATOM 848 O LEU A 60 -11.222 15.043 -6.438 1.00 0.00 O ATOM 849 CB LEU A 60 -13.061 12.728 -5.685 1.00 0.00 C ATOM 850 CG LEU A 60 -13.749 11.367 -5.563 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.448 11.225 -4.209 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.709 11.132 -6.731 1.00 0.00 C ATOM 0 H LEU A 60 -11.504 11.091 -7.052 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.075 13.550 -7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.330 12.816 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.807 13.506 -5.524 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.984 10.592 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.929 10.249 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.714 11.318 -3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.200 12.007 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.185 10.158 -6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.472 11.910 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.155 11.160 -7.669 1.00 0.00 H new ATOM 864 N ALA A 61 -9.981 13.342 -7.263 1.00 0.00 N ATOM 865 CA ALA A 61 -8.727 14.074 -7.191 1.00 0.00 C ATOM 866 C ALA A 61 -8.505 14.555 -5.755 1.00 0.00 C ATOM 867 O ALA A 61 -8.243 15.735 -5.526 1.00 0.00 O ATOM 868 CB ALA A 61 -8.751 15.228 -8.195 1.00 0.00 C ATOM 0 H ALA A 61 -9.900 12.392 -7.626 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.890 13.429 -7.456 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.811 15.777 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.883 14.832 -9.202 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.577 15.899 -7.958 1.00 0.00 H new ATOM 874 N LEU A 62 -8.619 13.617 -4.826 1.00 0.00 N ATOM 875 CA LEU A 62 -8.434 13.930 -3.420 1.00 0.00 C ATOM 876 C LEU A 62 -7.265 13.110 -2.869 1.00 0.00 C ATOM 877 O LEU A 62 -6.898 12.084 -3.440 1.00 0.00 O ATOM 878 CB LEU A 62 -9.741 13.732 -2.650 1.00 0.00 C ATOM 879 CG LEU A 62 -10.251 14.946 -1.872 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.588 16.101 -2.817 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.438 14.568 -0.983 1.00 0.00 C ATOM 0 H LEU A 62 -8.837 12.640 -5.020 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.174 14.981 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.513 13.427 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.606 12.907 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.453 15.290 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.948 16.951 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.695 16.391 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.361 15.785 -3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.782 15.449 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.249 14.184 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.130 13.801 -0.272 1.00 0.00 H new ATOM 893 N GLU A 63 -6.713 13.593 -1.765 1.00 0.00 N ATOM 894 CA GLU A 63 -5.594 12.918 -1.131 1.00 0.00 C ATOM 895 C GLU A 63 -5.684 13.057 0.390 1.00 0.00 C ATOM 896 O GLU A 63 -5.453 14.136 0.933 1.00 0.00 O ATOM 897 CB GLU A 63 -4.261 13.456 -1.653 1.00 0.00 C ATOM 898 CG GLU A 63 -3.977 12.940 -3.065 1.00 0.00 C ATOM 899 CD GLU A 63 -4.204 14.039 -4.106 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.806 15.187 -3.815 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.771 13.704 -5.169 1.00 0.00 O ATOM 0 H GLU A 63 -7.020 14.444 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.644 11.859 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.281 14.546 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.456 13.155 -0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.949 12.583 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.623 12.089 -3.282 1.00 0.00 H new ATOM 908 N ARG A 64 -6.019 11.949 1.035 1.00 0.00 N ATOM 909 CA ARG A 64 -6.142 11.934 2.483 1.00 0.00 C ATOM 910 C ARG A 64 -5.106 10.988 3.094 1.00 0.00 C ATOM 911 O ARG A 64 -4.890 9.887 2.588 1.00 0.00 O ATOM 912 CB ARG A 64 -7.542 11.492 2.913 1.00 0.00 C ATOM 913 CG ARG A 64 -7.685 11.528 4.435 1.00 0.00 C ATOM 914 CD ARG A 64 -8.771 10.558 4.907 1.00 0.00 C ATOM 915 NE ARG A 64 -10.099 11.205 4.820 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.470 12.262 5.555 1.00 0.00 C ATOM 917 NH1 ARG A 64 -9.614 12.799 6.436 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.696 12.783 5.409 1.00 0.00 N ATOM 0 H ARG A 64 -6.209 11.055 0.582 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.968 12.949 2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.288 12.143 2.459 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.736 10.483 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.734 11.268 4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.931 12.540 4.757 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.756 9.656 4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.574 10.250 5.934 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.775 10.822 4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.681 12.403 6.547 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.896 13.604 6.996 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.347 12.375 4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.978 13.588 5.969 1.00 0.00 H new ATOM 932 N GLY A 65 -4.492 11.450 4.173 1.00 0.00 N ATOM 933 CA GLY A 65 -3.484 10.659 4.858 1.00 0.00 C ATOM 934 C GLY A 65 -4.066 9.990 6.105 1.00 0.00 C ATOM 935 O GLY A 65 -4.745 10.637 6.901 1.00 0.00 O ATOM 0 H GLY A 65 -4.673 12.363 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.092 9.899 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.646 11.297 5.140 1.00 0.00 H new ATOM 939 N LEU A 66 -3.780 8.703 6.236 1.00 0.00 N ATOM 940 CA LEU A 66 -4.266 7.940 7.373 1.00 0.00 C ATOM 941 C LEU A 66 -3.097 7.627 8.309 1.00 0.00 C ATOM 942 O LEU A 66 -1.947 7.577 7.876 1.00 0.00 O ATOM 943 CB LEU A 66 -5.024 6.698 6.899 1.00 0.00 C ATOM 944 CG LEU A 66 -4.265 5.770 5.949 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.624 4.306 6.210 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.499 6.167 4.490 1.00 0.00 C ATOM 0 H LEU A 66 -3.218 8.169 5.573 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.985 8.525 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.323 6.123 7.775 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.939 7.022 6.404 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.198 5.880 6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.071 3.667 5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.364 4.045 7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.694 4.161 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.948 5.491 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.563 6.105 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.153 7.188 4.331 1.00 0.00 H new ATOM 958 N GLU A 67 -3.433 7.425 9.575 1.00 0.00 N ATOM 959 CA GLU A 67 -2.425 7.118 10.576 1.00 0.00 C ATOM 960 C GLU A 67 -1.836 5.728 10.328 1.00 0.00 C ATOM 961 O GLU A 67 -2.099 5.114 9.295 1.00 0.00 O ATOM 962 CB GLU A 67 -3.005 7.224 11.988 1.00 0.00 C ATOM 963 CG GLU A 67 -2.600 8.542 12.650 1.00 0.00 C ATOM 964 CD GLU A 67 -2.313 8.342 14.139 1.00 0.00 C ATOM 965 OE1 GLU A 67 -3.281 8.448 14.923 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.132 8.088 14.460 1.00 0.00 O ATOM 0 H GLU A 67 -4.388 7.468 9.930 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.623 7.851 10.492 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.092 7.154 11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.655 6.387 12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.715 8.944 12.156 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.396 9.276 12.525 1.00 0.00 H new ATOM 973 N ASP A 68 -1.051 5.272 11.293 1.00 0.00 N ATOM 974 CA ASP A 68 -0.423 3.966 11.192 1.00 0.00 C ATOM 975 C ASP A 68 -1.357 2.908 11.782 1.00 0.00 C ATOM 976 O ASP A 68 -1.618 1.884 11.153 1.00 0.00 O ATOM 977 CB ASP A 68 0.892 3.925 11.974 1.00 0.00 C ATOM 978 CG ASP A 68 1.472 5.294 12.334 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.826 6.028 11.387 1.00 0.00 O ATOM 980 OD2 ASP A 68 1.550 5.575 13.550 1.00 0.00 O ATOM 0 H ASP A 68 -0.836 5.784 12.149 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.223 3.769 10.139 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.733 3.361 12.893 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.630 3.377 11.387 1.00 0.00 H new ATOM 985 N HIS A 69 -1.837 3.193 12.984 1.00 0.00 N ATOM 986 CA HIS A 69 -2.737 2.279 13.667 1.00 0.00 C ATOM 987 C HIS A 69 -3.972 2.031 12.798 1.00 0.00 C ATOM 988 O HIS A 69 -4.622 0.994 12.919 1.00 0.00 O ATOM 989 CB HIS A 69 -3.087 2.802 15.061 1.00 0.00 C ATOM 990 CG HIS A 69 -4.125 3.899 15.063 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.795 5.243 15.026 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.487 3.838 15.096 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.915 5.949 15.038 1.00 0.00 C ATOM 994 NE2 HIS A 69 -5.963 5.077 15.082 1.00 0.00 N ATOM 0 H HIS A 69 -1.619 4.044 13.502 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.243 1.319 13.817 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.449 1.973 15.669 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.180 3.174 15.537 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.078 2.935 15.128 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.986 7.026 15.017 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.950 5.335 15.101 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.258 3.001 11.942 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.404 2.901 11.054 1.00 0.00 C ATOM 1004 C GLU A 70 -5.320 1.621 10.221 1.00 0.00 C ATOM 1005 O GLU A 70 -4.263 1.295 9.682 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.509 4.134 10.154 1.00 0.00 C ATOM 1007 CG GLU A 70 -6.060 5.333 10.929 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.577 5.226 11.098 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -7.995 4.609 12.101 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.285 5.765 10.219 1.00 0.00 O ATOM 0 H GLU A 70 -3.716 3.860 11.844 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.307 2.857 11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.527 4.378 9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.158 3.915 9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.584 5.387 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.813 6.255 10.403 1.00 0.00 H new ATOM 1017 N SER A 71 -6.447 0.929 10.142 1.00 0.00 N ATOM 1018 CA SER A 71 -6.514 -0.309 9.384 1.00 0.00 C ATOM 1019 C SER A 71 -6.730 -0.003 7.900 1.00 0.00 C ATOM 1020 O SER A 71 -7.812 0.428 7.503 1.00 0.00 O ATOM 1021 CB SER A 71 -7.630 -1.215 9.907 1.00 0.00 C ATOM 1022 OG SER A 71 -7.142 -2.186 10.828 1.00 0.00 O ATOM 0 H SER A 71 -7.321 1.202 10.591 1.00 0.00 H new ATOM 0 HA SER A 71 -5.568 -0.836 9.506 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.393 -0.607 10.392 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.110 -1.720 9.069 1.00 0.00 H new ATOM 0 HG SER A 71 -7.885 -2.743 11.140 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.684 -0.236 7.122 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.745 0.009 5.691 1.00 0.00 C ATOM 1030 C VAL A 72 -7.055 -0.555 5.138 1.00 0.00 C ATOM 1031 O VAL A 72 -7.728 0.096 4.339 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.507 -0.573 5.007 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.354 0.432 5.013 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.089 -1.892 5.659 1.00 0.00 C ATOM 0 H VAL A 72 -4.788 -0.592 7.456 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.739 1.079 5.486 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.765 -0.780 3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.486 -0.007 4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.655 1.334 4.481 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.098 0.686 6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.207 -2.284 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.859 -1.721 6.711 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.903 -2.612 5.578 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.379 -1.760 5.583 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.596 -2.419 5.142 1.00 0.00 C ATOM 1046 C VAL A 73 -9.806 -1.589 5.576 1.00 0.00 C ATOM 1047 O VAL A 73 -10.761 -1.433 4.816 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.635 -3.854 5.671 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -9.820 -4.624 5.082 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.317 -4.578 5.390 1.00 0.00 C ATOM 0 H VAL A 73 -6.819 -2.297 6.245 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.621 -2.487 4.054 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.769 -3.809 6.752 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -9.824 -5.641 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.750 -4.126 5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.731 -4.654 3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.371 -5.596 5.776 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.140 -4.607 4.315 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.499 -4.048 5.878 1.00 0.00 H new ATOM 1060 N GLU A 74 -9.727 -1.079 6.796 1.00 0.00 N ATOM 1061 CA GLU A 74 -10.803 -0.269 7.340 1.00 0.00 C ATOM 1062 C GLU A 74 -10.869 1.080 6.620 1.00 0.00 C ATOM 1063 O GLU A 74 -11.938 1.677 6.509 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.637 -0.078 8.849 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.947 -1.372 9.603 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.832 -1.099 10.821 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -12.962 -0.611 10.604 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -11.358 -1.385 11.942 1.00 0.00 O ATOM 0 H GLU A 74 -8.934 -1.211 7.424 1.00 0.00 H new ATOM 0 HA GLU A 74 -11.745 -0.793 7.175 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.618 0.240 9.069 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.300 0.716 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.447 -2.075 8.936 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.017 -1.842 9.923 1.00 0.00 H new ATOM 1075 N VAL A 75 -9.711 1.521 6.150 1.00 0.00 N ATOM 1076 CA VAL A 75 -9.623 2.788 5.445 1.00 0.00 C ATOM 1077 C VAL A 75 -9.971 2.571 3.971 1.00 0.00 C ATOM 1078 O VAL A 75 -10.461 3.481 3.305 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.237 3.404 5.648 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.096 4.706 4.856 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -7.951 3.632 7.133 1.00 0.00 C ATOM 0 H VAL A 75 -8.826 1.023 6.244 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.343 3.501 5.848 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.497 2.699 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.102 5.124 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.237 4.503 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.849 5.419 5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.960 4.070 7.250 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.698 4.309 7.548 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.991 2.680 7.662 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.703 1.360 3.505 1.00 0.00 N ATOM 1092 CA GLN A 76 -9.982 1.012 2.122 1.00 0.00 C ATOM 1093 C GLN A 76 -11.407 0.470 1.988 1.00 0.00 C ATOM 1094 O GLN A 76 -11.976 0.474 0.897 1.00 0.00 O ATOM 1095 CB GLN A 76 -8.960 0.003 1.594 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.485 -1.428 1.722 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.406 -2.444 1.343 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -7.566 -2.824 2.142 1.00 0.00 O ATOM 1099 NE2 GLN A 76 -8.475 -2.862 0.082 1.00 0.00 N ATOM 0 H GLN A 76 -9.296 0.608 4.060 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.899 1.915 1.517 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.736 0.220 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -8.026 0.102 2.148 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.815 -1.608 2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.355 -1.559 1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.204 -2.504 -0.535 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.799 -3.541 -0.268 1.00 0.00 H new ATOM 1108 N ALA A 77 -11.942 0.016 3.112 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.289 -0.528 3.133 1.00 0.00 C ATOM 1110 C ALA A 77 -14.298 0.617 3.025 1.00 0.00 C ATOM 1111 O ALA A 77 -15.374 0.449 2.454 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.484 -1.359 4.403 1.00 0.00 C ATOM 0 H ALA A 77 -11.467 0.014 4.015 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.449 -1.190 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.495 -1.767 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.762 -2.176 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.334 -0.727 5.278 1.00 0.00 H new ATOM 1118 N ALA A 78 -13.915 1.756 3.583 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.773 2.929 3.556 1.00 0.00 C ATOM 1120 C ALA A 78 -14.924 3.412 2.112 1.00 0.00 C ATOM 1121 O ALA A 78 -15.991 3.881 1.719 1.00 0.00 O ATOM 1122 CB ALA A 78 -14.193 4.007 4.474 1.00 0.00 C ATOM 0 H ALA A 78 -13.022 1.892 4.057 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.768 2.685 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.836 4.887 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.134 3.624 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.195 4.279 4.130 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.839 3.281 1.361 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.838 3.699 -0.030 1.00 0.00 C ATOM 1130 C TRP A 79 -15.150 3.235 -0.665 1.00 0.00 C ATOM 1131 O TRP A 79 -15.598 2.115 -0.424 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.601 3.171 -0.760 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.277 3.693 -0.199 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -11.086 4.709 0.654 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.959 3.179 -0.487 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.746 4.887 0.935 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -9.040 3.928 0.219 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.558 2.118 -1.317 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.660 3.695 0.167 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.176 1.898 -1.358 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.237 2.643 -0.653 1.00 0.00 C ATOM 0 H TRP A 79 -12.956 2.891 1.690 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.780 4.785 -0.106 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.600 2.082 -0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.670 3.443 -1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.880 5.312 1.069 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.348 5.593 1.554 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.260 1.520 -1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.960 4.295 0.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.814 1.093 -1.981 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.186 2.411 -0.738 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.746 4.143 -1.484 1.00 0.00 N ATOM 1153 CA PRO A 80 -16.998 3.838 -2.154 1.00 0.00 C ATOM 1154 C PRO A 80 -16.774 2.878 -3.325 1.00 0.00 C ATOM 1155 O PRO A 80 -15.634 2.607 -3.700 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.550 5.185 -2.590 1.00 0.00 C ATOM 1157 CG PRO A 80 -16.373 6.147 -2.560 1.00 0.00 C ATOM 1158 CD PRO A 80 -15.244 5.479 -1.792 1.00 0.00 C ATOM 0 HA PRO A 80 -17.706 3.323 -1.505 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.981 5.126 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -18.343 5.517 -1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.053 6.391 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -16.658 7.084 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -14.333 5.432 -2.388 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -15.002 6.031 -0.883 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.879 2.389 -3.868 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.817 1.465 -4.988 1.00 0.00 C ATOM 1168 C VAL A 81 -17.463 2.236 -6.261 1.00 0.00 C ATOM 1169 O VAL A 81 -16.708 1.746 -7.099 1.00 0.00 O ATOM 1170 CB VAL A 81 -19.133 0.693 -5.102 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.304 1.642 -5.362 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -19.046 -0.381 -6.189 1.00 0.00 C ATOM 0 H VAL A 81 -18.823 2.615 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 81 -17.034 0.724 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 81 -19.312 0.193 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -21.227 1.068 -5.439 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.386 2.353 -4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.134 2.183 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.994 -0.915 -6.250 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.832 0.089 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -18.249 -1.083 -5.944 1.00 0.00 H new ATOM 1182 N GLY A 82 -18.026 3.431 -6.366 1.00 0.00 N ATOM 1183 CA GLY A 82 -17.780 4.275 -7.523 1.00 0.00 C ATOM 1184 C GLY A 82 -16.521 5.122 -7.327 1.00 0.00 C ATOM 1185 O GLY A 82 -16.584 6.350 -7.352 1.00 0.00 O ATOM 0 H GLY A 82 -18.652 3.835 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.671 3.655 -8.413 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.638 4.926 -7.692 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.407 4.431 -7.135 1.00 0.00 N ATOM 1190 CA GLY A 83 -14.135 5.105 -6.934 1.00 0.00 C ATOM 1191 C GLY A 83 -12.990 4.095 -6.828 1.00 0.00 C ATOM 1192 O GLY A 83 -12.999 3.232 -5.951 1.00 0.00 O ATOM 0 H GLY A 83 -15.358 3.412 -7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.947 5.788 -7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.178 5.708 -6.027 1.00 0.00 H new ATOM 1196 N ASP A 84 -12.034 4.235 -7.733 1.00 0.00 N ATOM 1197 CA ASP A 84 -10.885 3.346 -7.752 1.00 0.00 C ATOM 1198 C ASP A 84 -9.855 3.827 -6.728 1.00 0.00 C ATOM 1199 O ASP A 84 -8.690 4.034 -7.064 1.00 0.00 O ATOM 1200 CB ASP A 84 -10.216 3.340 -9.128 1.00 0.00 C ATOM 1201 CG ASP A 84 -10.868 2.418 -10.160 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -11.900 2.839 -10.726 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -10.320 1.312 -10.361 1.00 0.00 O ATOM 0 H ASP A 84 -12.031 4.951 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.233 2.341 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.217 4.357 -9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.174 3.046 -9.007 1.00 0.00 H new ATOM 1208 N SER A 85 -10.322 3.992 -5.499 1.00 0.00 N ATOM 1209 CA SER A 85 -9.457 4.446 -4.424 1.00 0.00 C ATOM 1210 C SER A 85 -8.244 3.521 -4.304 1.00 0.00 C ATOM 1211 O SER A 85 -8.345 2.323 -4.561 1.00 0.00 O ATOM 1212 CB SER A 85 -10.213 4.505 -3.096 1.00 0.00 C ATOM 1213 OG SER A 85 -11.262 5.469 -3.121 1.00 0.00 O ATOM 0 H SER A 85 -11.289 3.819 -5.224 1.00 0.00 H new ATOM 0 HA SER A 85 -9.116 5.454 -4.661 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.629 3.523 -2.872 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.517 4.748 -2.293 1.00 0.00 H new ATOM 0 HG SER A 85 -10.894 6.347 -3.354 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.125 4.114 -3.913 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.894 3.358 -3.756 1.00 0.00 C ATOM 1221 C ARG A 86 -5.024 3.981 -2.662 1.00 0.00 C ATOM 1222 O ARG A 86 -5.411 4.975 -2.048 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.102 3.316 -5.064 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.917 4.722 -5.639 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.453 5.160 -5.555 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.232 6.350 -6.406 1.00 0.00 N ATOM 1227 CZ ARG A 86 -3.172 6.316 -7.744 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -3.318 5.152 -8.392 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.968 7.446 -8.435 1.00 0.00 N ATOM 0 H ARG A 86 -7.045 5.108 -3.700 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.164 2.340 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.128 2.860 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.622 2.689 -5.788 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.247 4.740 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.543 5.427 -5.093 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.192 5.388 -4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.802 4.347 -5.876 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.118 7.253 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.475 4.292 -7.867 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.272 5.126 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.858 8.332 -7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.922 7.420 -9.454 1.00 0.00 H new ATOM 1243 N PHE A 87 -3.867 3.372 -2.451 1.00 0.00 N ATOM 1244 CA PHE A 87 -2.940 3.855 -1.442 1.00 0.00 C ATOM 1245 C PHE A 87 -1.636 4.339 -2.081 1.00 0.00 C ATOM 1246 O PHE A 87 -1.221 3.824 -3.119 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.633 2.677 -0.516 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.688 2.445 0.567 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.821 3.334 1.588 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.494 1.351 0.509 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.800 3.119 2.594 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.473 1.136 1.515 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.606 2.025 2.536 1.00 0.00 C ATOM 0 H PHE A 87 -3.550 2.548 -2.962 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.382 4.693 -0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.538 1.772 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.668 2.846 -0.038 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.182 4.203 1.634 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.389 0.646 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.905 3.824 3.405 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.112 0.267 1.469 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.351 1.862 3.300 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.027 5.322 -1.436 1.00 0.00 N ATOM 1264 CA VAL A 88 0.220 5.881 -1.928 1.00 0.00 C ATOM 1265 C VAL A 88 1.224 5.971 -0.777 1.00 0.00 C ATOM 1266 O VAL A 88 0.893 6.457 0.304 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.040 7.231 -2.600 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.266 7.863 -3.085 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.040 7.088 -3.749 1.00 0.00 C ATOM 0 H VAL A 88 -1.374 5.746 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 88 0.654 5.232 -2.689 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.478 7.897 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.053 8.821 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.932 8.018 -2.236 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.745 7.201 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.207 8.062 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.643 6.398 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.984 6.702 -3.364 1.00 0.00 H new ATOM 1279 N PHE A 89 2.430 5.493 -1.047 1.00 0.00 N ATOM 1280 CA PHE A 89 3.484 5.513 -0.047 1.00 0.00 C ATOM 1281 C PHE A 89 4.327 6.785 -0.164 1.00 0.00 C ATOM 1282 O PHE A 89 4.988 7.004 -1.177 1.00 0.00 O ATOM 1283 CB PHE A 89 4.375 4.298 -0.312 1.00 0.00 C ATOM 1284 CG PHE A 89 5.333 3.967 0.834 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.889 3.991 2.119 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.627 3.647 0.567 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.778 3.683 3.183 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.516 3.339 1.631 1.00 0.00 C ATOM 1289 CZ PHE A 89 7.072 3.364 2.917 1.00 0.00 C ATOM 0 H PHE A 89 2.701 5.090 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 89 3.049 5.488 0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.742 3.432 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.956 4.477 -1.217 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.861 4.244 2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.979 3.627 -0.454 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.426 3.702 4.204 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.544 3.085 1.419 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.748 3.130 3.726 1.00 0.00 H new ATOM 1299 N ARG A 90 4.275 7.589 0.888 1.00 0.00 N ATOM 1300 CA ARG A 90 5.026 8.833 0.916 1.00 0.00 C ATOM 1301 C ARG A 90 5.375 9.210 2.357 1.00 0.00 C ATOM 1302 O ARG A 90 4.635 8.885 3.284 1.00 0.00 O ATOM 1303 CB ARG A 90 4.229 9.972 0.277 1.00 0.00 C ATOM 1304 CG ARG A 90 2.793 10.000 0.805 1.00 0.00 C ATOM 1305 CD ARG A 90 1.836 10.582 -0.238 1.00 0.00 C ATOM 1306 NE ARG A 90 2.213 11.979 -0.546 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.695 12.692 -1.556 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.776 12.142 -2.361 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.096 13.954 -1.760 1.00 0.00 N ATOM 0 H ARG A 90 3.725 7.403 1.727 1.00 0.00 H new ATOM 0 HA ARG A 90 5.942 8.680 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.716 10.924 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.220 9.851 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.479 8.990 1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.749 10.596 1.717 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.865 9.980 -1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 90 0.813 10.547 0.135 1.00 0.00 H new ATOM 0 HE ARG A 90 2.911 12.428 0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.471 11.181 -2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.381 12.684 -3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.796 14.372 -1.147 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.702 14.496 -2.529 1.00 0.00 H new ATOM 1323 N LYS A 91 6.504 9.890 2.500 1.00 0.00 N ATOM 1324 CA LYS A 91 6.960 10.314 3.812 1.00 0.00 C ATOM 1325 C LYS A 91 6.583 11.781 4.029 1.00 0.00 C ATOM 1326 O LYS A 91 6.169 12.165 5.122 1.00 0.00 O ATOM 1327 CB LYS A 91 8.455 10.033 3.977 1.00 0.00 C ATOM 1328 CG LYS A 91 9.248 10.566 2.782 1.00 0.00 C ATOM 1329 CD LYS A 91 10.729 10.722 3.132 1.00 0.00 C ATOM 1330 CE LYS A 91 11.617 10.138 2.032 1.00 0.00 C ATOM 1331 NZ LYS A 91 12.449 11.198 1.420 1.00 0.00 N ATOM 0 H LYS A 91 7.116 10.157 1.729 1.00 0.00 H new ATOM 0 HA LYS A 91 6.463 9.738 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.817 10.497 4.894 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.618 8.960 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.140 9.886 1.937 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.841 11.528 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.964 11.777 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.938 10.221 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.257 9.360 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.998 9.667 1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.046 10.784 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.833 11.927 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.053 11.629 2.148 1.00 0.00 H new