USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot -109:sc= -6.19! USER MOD Single : A 21 TYR OH : rot 165:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -5.13 K(o=-5.1,f=-6.9!) USER MOD Single : A 35 THR OG1 : rot -76:sc= -0.331 USER MOD Single : A 38 TYR OH : rot 121:sc= -0.646 USER MOD Single : A 42 THR OG1 : rot -30:sc= 0.355 USER MOD Single : A 48 GLN : amide:sc= -1.45 K(o=-1.4,f=-5.9!) USER MOD Single : A 52 TYR OH : rot -15:sc= -0.0316 USER MOD Single : A 53 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 54 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.03) USER MOD Single : A 57 GLN : amide:sc= -0.798 X(o=-0.8,f=-0.62) USER MOD Single : A 58 GLN : amide:sc= -3.46! C(o=-3.5!,f=-7.8!) USER MOD Single : A 59 CYS SG : rot 9:sc= -1.08! USER MOD Single : A 60 THR OG1 : rot 180:sc= -3.36! USER MOD Single : A 87 THR OG1 : rot -62:sc= 0.597 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.558 X(o=-0.56,f=-0.61) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 82:sc= 1 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.011) USER MOD Single : A 114 ASN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.459 9.102 8.606 1.00 0.00 N ATOM 117 CA LYS A 11 -9.258 9.602 9.265 1.00 0.00 C ATOM 118 C LYS A 11 -8.148 8.557 9.238 1.00 0.00 C ATOM 119 O LYS A 11 -8.405 7.372 9.026 1.00 0.00 O ATOM 120 CB LYS A 11 -9.570 9.993 10.711 1.00 0.00 C ATOM 121 CG LYS A 11 -10.561 11.139 10.832 1.00 0.00 C ATOM 122 CD LYS A 11 -9.866 12.488 10.742 1.00 0.00 C ATOM 123 CE LYS A 11 -9.317 12.923 12.093 1.00 0.00 C ATOM 124 NZ LYS A 11 -9.262 14.405 12.217 1.00 0.00 N ATOM 0 HA LYS A 11 -8.916 10.484 8.723 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.967 9.124 11.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.643 10.272 11.211 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.308 11.060 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.091 11.064 11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.053 12.432 10.018 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.568 13.237 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.942 12.515 12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.318 12.510 12.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.883 14.661 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.646 14.793 11.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.219 14.798 12.112 1.00 0.00 H new ATOM 138 N ILE A 12 -6.915 9.004 9.453 1.00 0.00 N ATOM 139 CA ILE A 12 -5.767 8.105 9.457 1.00 0.00 C ATOM 140 C ILE A 12 -4.952 8.261 10.735 1.00 0.00 C ATOM 141 O ILE A 12 -4.911 9.338 11.331 1.00 0.00 O ATOM 142 CB ILE A 12 -4.853 8.357 8.243 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.603 7.479 8.328 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.470 9.828 8.164 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.860 7.358 7.016 1.00 0.00 C ATOM 0 H ILE A 12 -6.685 9.983 9.627 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.159 7.090 9.402 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.398 8.095 7.336 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.930 7.890 9.081 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.890 6.484 8.667 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.824 9.990 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.371 10.433 8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.941 10.115 9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.985 6.722 7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.517 6.918 6.265 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.542 8.347 6.685 1.00 0.00 H new ATOM 157 N ASP A 13 -4.300 7.180 11.149 1.00 0.00 N ATOM 158 CA ASP A 13 -3.481 7.196 12.356 1.00 0.00 C ATOM 159 C ASP A 13 -2.059 7.648 12.041 1.00 0.00 C ATOM 160 O ASP A 13 -1.088 7.041 12.496 1.00 0.00 O ATOM 161 CB ASP A 13 -3.460 5.811 13.003 1.00 0.00 C ATOM 162 CG ASP A 13 -4.529 5.651 14.065 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.651 6.157 13.858 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.243 5.017 15.103 1.00 0.00 O ATOM 0 H ASP A 13 -4.323 6.282 10.667 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.922 7.907 13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.600 5.052 12.234 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.481 5.636 13.448 1.00 0.00 H new ATOM 169 N LYS A 14 -1.941 8.715 11.259 1.00 0.00 N ATOM 170 CA LYS A 14 -0.637 9.248 10.882 1.00 0.00 C ATOM 171 C LYS A 14 0.432 8.833 11.888 1.00 0.00 C ATOM 172 O LYS A 14 1.487 8.323 11.512 1.00 0.00 O ATOM 173 CB LYS A 14 -0.696 10.774 10.784 1.00 0.00 C ATOM 174 CG LYS A 14 -1.027 11.281 9.391 1.00 0.00 C ATOM 175 CD LYS A 14 -1.458 12.738 9.417 1.00 0.00 C ATOM 176 CE LYS A 14 -1.221 13.413 8.074 1.00 0.00 C ATOM 177 NZ LYS A 14 0.163 13.952 7.961 1.00 0.00 N ATOM 0 H LYS A 14 -2.733 9.229 10.873 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.372 8.838 9.908 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.444 11.146 11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.264 11.187 11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.156 11.170 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.823 10.673 8.961 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.515 12.801 9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.907 13.268 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.399 12.697 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.938 14.223 7.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.285 14.404 7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.325 14.654 8.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.847 13.175 8.060 1.00 0.00 H new ATOM 191 N GLU A 15 0.151 9.055 13.168 1.00 0.00 N ATOM 192 CA GLU A 15 1.089 8.704 14.228 1.00 0.00 C ATOM 193 C GLU A 15 1.529 7.248 14.104 1.00 0.00 C ATOM 194 O GLU A 15 2.719 6.956 13.990 1.00 0.00 O ATOM 195 CB GLU A 15 0.455 8.941 15.600 1.00 0.00 C ATOM 196 CG GLU A 15 -0.931 8.336 15.743 1.00 0.00 C ATOM 197 CD GLU A 15 -1.727 8.963 16.871 1.00 0.00 C ATOM 198 OE1 GLU A 15 -1.535 8.551 18.034 1.00 0.00 O ATOM 199 OE2 GLU A 15 -2.544 9.865 16.590 1.00 0.00 O ATOM 0 H GLU A 15 -0.718 9.476 13.496 1.00 0.00 H new ATOM 0 HA GLU A 15 1.967 9.342 14.127 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.106 8.523 16.368 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.394 10.014 15.782 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.476 8.459 14.807 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.839 7.264 15.920 1.00 0.00 H new ATOM 206 N ALA A 16 0.560 6.339 14.126 1.00 0.00 N ATOM 207 CA ALA A 16 0.847 4.914 14.015 1.00 0.00 C ATOM 208 C ALA A 16 1.339 4.561 12.615 1.00 0.00 C ATOM 209 O ALA A 16 2.168 3.665 12.447 1.00 0.00 O ATOM 210 CB ALA A 16 -0.389 4.098 14.364 1.00 0.00 C ATOM 0 H ALA A 16 -0.430 6.564 14.220 1.00 0.00 H new ATOM 0 HA ALA A 16 1.640 4.672 14.722 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.160 3.036 14.277 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.695 4.321 15.386 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.198 4.352 13.679 1.00 0.00 H new ATOM 216 N CYS A 17 0.826 5.269 11.617 1.00 0.00 N ATOM 217 CA CYS A 17 1.213 5.030 10.231 1.00 0.00 C ATOM 218 C CYS A 17 2.698 5.306 10.025 1.00 0.00 C ATOM 219 O CYS A 17 3.464 4.409 9.674 1.00 0.00 O ATOM 220 CB CYS A 17 0.383 5.904 9.289 1.00 0.00 C ATOM 221 SG CYS A 17 -1.398 5.833 9.593 1.00 0.00 S ATOM 0 H CYS A 17 0.140 6.014 11.741 1.00 0.00 H new ATOM 0 HA CYS A 17 1.023 3.981 10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.716 6.938 9.382 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.578 5.598 8.261 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.978 5.189 8.624 1.00 0.00 H new ATOM 227 N ARG A 18 3.097 6.555 10.245 1.00 0.00 N ATOM 228 CA ARG A 18 4.491 6.951 10.082 1.00 0.00 C ATOM 229 C ARG A 18 5.429 5.881 10.632 1.00 0.00 C ATOM 230 O ARG A 18 6.444 5.554 10.017 1.00 0.00 O ATOM 231 CB ARG A 18 4.751 8.283 10.787 1.00 0.00 C ATOM 232 CG ARG A 18 6.227 8.613 10.940 1.00 0.00 C ATOM 233 CD ARG A 18 6.430 9.962 11.612 1.00 0.00 C ATOM 234 NE ARG A 18 5.701 11.028 10.929 1.00 0.00 N ATOM 235 CZ ARG A 18 5.760 12.306 11.289 1.00 0.00 C ATOM 236 NH1 ARG A 18 6.509 12.674 12.319 1.00 0.00 N ATOM 237 NH2 ARG A 18 5.068 13.218 10.618 1.00 0.00 N ATOM 0 H ARG A 18 2.475 7.309 10.536 1.00 0.00 H new ATOM 0 HA ARG A 18 4.686 7.067 9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.265 9.082 10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.289 8.259 11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.716 7.836 11.527 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.703 8.618 9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.100 9.904 12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.493 10.203 11.629 1.00 0.00 H new ATOM 0 HE ARG A 18 5.115 10.778 10.133 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.042 11.976 12.837 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.552 13.656 12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.490 12.938 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.114 14.199 10.895 1.00 0.00 H new ATOM 251 N ALA A 19 5.082 5.337 11.794 1.00 0.00 N ATOM 252 CA ALA A 19 5.891 4.303 12.426 1.00 0.00 C ATOM 253 C ALA A 19 6.080 3.109 11.497 1.00 0.00 C ATOM 254 O ALA A 19 7.205 2.674 11.252 1.00 0.00 O ATOM 255 CB ALA A 19 5.253 3.860 13.735 1.00 0.00 C ATOM 0 H ALA A 19 4.245 5.596 12.317 1.00 0.00 H new ATOM 0 HA ALA A 19 6.874 4.724 12.638 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.868 3.087 14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.176 4.713 14.409 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.258 3.462 13.538 1.00 0.00 H new ATOM 261 N ALA A 20 4.974 2.585 10.982 1.00 0.00 N ATOM 262 CA ALA A 20 5.018 1.442 10.079 1.00 0.00 C ATOM 263 C ALA A 20 5.779 1.781 8.801 1.00 0.00 C ATOM 264 O ALA A 20 6.638 1.017 8.359 1.00 0.00 O ATOM 265 CB ALA A 20 3.608 0.976 9.746 1.00 0.00 C ATOM 0 H ALA A 20 4.035 2.934 11.175 1.00 0.00 H new ATOM 0 HA ALA A 20 5.547 0.633 10.584 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.657 0.122 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.095 0.685 10.663 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.061 1.787 9.266 1.00 0.00 H new ATOM 271 N TYR A 21 5.461 2.929 8.216 1.00 0.00 N ATOM 272 CA TYR A 21 6.113 3.367 6.988 1.00 0.00 C ATOM 273 C TYR A 21 7.615 3.531 7.197 1.00 0.00 C ATOM 274 O TYR A 21 8.392 3.515 6.244 1.00 0.00 O ATOM 275 CB TYR A 21 5.508 4.687 6.506 1.00 0.00 C ATOM 276 CG TYR A 21 6.474 5.547 5.724 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.630 5.383 4.353 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.231 6.526 6.356 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.512 6.166 3.636 1.00 0.00 C ATOM 280 CE2 TYR A 21 8.115 7.315 5.646 1.00 0.00 C ATOM 281 CZ TYR A 21 8.252 7.131 4.286 1.00 0.00 C ATOM 282 OH TYR A 21 9.131 7.914 3.574 1.00 0.00 O ATOM 0 H TYR A 21 4.755 3.574 8.572 1.00 0.00 H new ATOM 0 HA TYR A 21 5.951 2.602 6.229 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.640 4.473 5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.151 5.249 7.369 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.051 4.630 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.126 6.673 7.421 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.622 6.024 2.571 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.696 8.072 6.153 1.00 0.00 H new ATOM 0 HH TYR A 21 9.391 8.689 4.115 1.00 0.00 H new ATOM 292 N ASN A 22 8.017 3.689 8.455 1.00 0.00 N ATOM 293 CA ASN A 22 9.425 3.856 8.792 1.00 0.00 C ATOM 294 C ASN A 22 10.113 2.503 8.947 1.00 0.00 C ATOM 295 O ASN A 22 11.224 2.300 8.461 1.00 0.00 O ATOM 296 CB ASN A 22 9.570 4.664 10.083 1.00 0.00 C ATOM 297 CG ASN A 22 9.490 6.159 9.842 1.00 0.00 C ATOM 298 OD1 ASN A 22 10.227 6.706 9.022 1.00 0.00 O ATOM 299 ND2 ASN A 22 8.594 6.827 10.558 1.00 0.00 N ATOM 0 H ASN A 22 7.387 3.705 9.257 1.00 0.00 H new ATOM 0 HA ASN A 22 9.905 4.396 7.976 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.788 4.369 10.783 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.524 4.425 10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.496 7.835 10.440 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.004 6.332 11.227 1.00 0.00 H new ATOM 306 N LEU A 23 9.441 1.579 9.626 1.00 0.00 N ATOM 307 CA LEU A 23 9.985 0.243 9.845 1.00 0.00 C ATOM 308 C LEU A 23 10.410 -0.394 8.526 1.00 0.00 C ATOM 309 O LEU A 23 11.136 -1.387 8.508 1.00 0.00 O ATOM 310 CB LEU A 23 8.952 -0.643 10.544 1.00 0.00 C ATOM 311 CG LEU A 23 9.096 -0.728 12.064 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.279 -1.606 12.440 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.249 0.661 12.663 1.00 0.00 C ATOM 0 H LEU A 23 8.519 1.731 10.034 1.00 0.00 H new ATOM 0 HA LEU A 23 10.864 0.336 10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.956 -0.268 10.309 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.020 -1.649 10.131 1.00 0.00 H new ATOM 0 HG LEU A 23 8.191 -1.180 12.471 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.366 -1.655 13.525 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.128 -2.610 12.043 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.193 -1.184 12.022 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.350 0.581 13.745 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.137 1.140 12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.370 1.259 12.424 1.00 0.00 H new ATOM 325 N VAL A 24 9.951 0.186 7.420 1.00 0.00 N ATOM 326 CA VAL A 24 10.283 -0.324 6.095 1.00 0.00 C ATOM 327 C VAL A 24 11.206 0.636 5.353 1.00 0.00 C ATOM 328 O VAL A 24 11.951 0.232 4.460 1.00 0.00 O ATOM 329 CB VAL A 24 9.017 -0.558 5.251 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.164 0.700 5.206 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.390 -1.010 3.847 1.00 0.00 C ATOM 0 H VAL A 24 9.348 1.009 7.416 1.00 0.00 H new ATOM 0 HA VAL A 24 10.794 -1.276 6.240 1.00 0.00 H new ATOM 0 HB VAL A 24 8.430 -1.348 5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.274 0.515 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.868 0.975 6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.738 1.513 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.483 -1.171 3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.999 -0.243 3.368 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.956 -1.940 3.902 1.00 0.00 H new ATOM 341 N ARG A 25 11.151 1.911 5.728 1.00 0.00 N ATOM 342 CA ARG A 25 11.982 2.929 5.097 1.00 0.00 C ATOM 343 C ARG A 25 13.383 2.937 5.699 1.00 0.00 C ATOM 344 O ARG A 25 14.354 3.297 5.032 1.00 0.00 O ATOM 345 CB ARG A 25 11.340 4.309 5.253 1.00 0.00 C ATOM 346 CG ARG A 25 11.945 5.139 6.373 1.00 0.00 C ATOM 347 CD ARG A 25 11.362 6.542 6.405 1.00 0.00 C ATOM 348 NE ARG A 25 12.174 7.456 7.205 1.00 0.00 N ATOM 349 CZ ARG A 25 12.168 8.774 7.047 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.397 9.332 6.124 1.00 0.00 N ATOM 351 NH2 ARG A 25 12.935 9.539 7.814 1.00 0.00 N ATOM 0 H ARG A 25 10.540 2.263 6.465 1.00 0.00 H new ATOM 0 HA ARG A 25 12.063 2.691 4.036 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.438 4.854 4.314 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.273 4.185 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.765 4.647 7.329 1.00 0.00 H new ATOM 0 HG3 ARG A 25 13.026 5.196 6.242 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.282 6.924 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.351 6.505 6.812 1.00 0.00 H new ATOM 0 HE ARG A 25 12.779 7.060 7.924 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.806 8.748 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.395 10.345 6.006 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.530 9.114 8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.930 10.552 7.692 1.00 0.00 H new ATOM 365 N ASP A 26 13.482 2.540 6.962 1.00 0.00 N ATOM 366 CA ASP A 26 14.765 2.501 7.655 1.00 0.00 C ATOM 367 C ASP A 26 15.657 1.403 7.082 1.00 0.00 C ATOM 368 O ASP A 26 15.170 0.428 6.511 1.00 0.00 O ATOM 369 CB ASP A 26 14.553 2.274 9.152 1.00 0.00 C ATOM 370 CG ASP A 26 15.861 2.213 9.919 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.440 3.286 10.189 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.304 1.093 10.246 1.00 0.00 O ATOM 0 H ASP A 26 12.688 2.240 7.528 1.00 0.00 H new ATOM 0 HA ASP A 26 15.260 3.461 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.936 3.077 9.555 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.004 1.345 9.302 1.00 0.00 H new ATOM 417 N VAL A 31 11.989 -5.042 8.843 1.00 0.00 N ATOM 418 CA VAL A 31 10.746 -5.054 8.081 1.00 0.00 C ATOM 419 C VAL A 31 10.953 -4.476 6.685 1.00 0.00 C ATOM 420 O VAL A 31 11.657 -3.481 6.512 1.00 0.00 O ATOM 421 CB VAL A 31 9.640 -4.257 8.796 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.347 -4.300 7.995 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.424 -4.793 10.204 1.00 0.00 C ATOM 0 HA VAL A 31 10.435 -6.096 7.998 1.00 0.00 H new ATOM 0 HB VAL A 31 9.956 -3.217 8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.577 -3.731 8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.515 -3.865 7.010 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.022 -5.334 7.885 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.639 -4.218 10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.129 -5.841 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.349 -4.704 10.773 1.00 0.00 H new ATOM 433 N ILE A 32 10.332 -5.106 5.692 1.00 0.00 N ATOM 434 CA ILE A 32 10.447 -4.652 4.312 1.00 0.00 C ATOM 435 C ILE A 32 9.084 -4.269 3.745 1.00 0.00 C ATOM 436 O ILE A 32 8.994 -3.549 2.750 1.00 0.00 O ATOM 437 CB ILE A 32 11.078 -5.733 3.415 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.051 -6.819 3.087 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.299 -6.338 4.094 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.485 -7.744 1.971 1.00 0.00 C ATOM 0 H ILE A 32 9.745 -5.931 5.818 1.00 0.00 H new ATOM 0 HA ILE A 32 11.094 -3.775 4.320 1.00 0.00 H new ATOM 0 HB ILE A 32 11.398 -5.269 2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.859 -7.409 3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.109 -6.345 2.810 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.734 -7.100 3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.036 -5.557 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.002 -6.790 5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.709 -8.488 1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.649 -7.165 1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.411 -8.246 2.253 1.00 0.00 H new ATOM 452 N TRP A 33 8.026 -4.754 4.384 1.00 0.00 N ATOM 453 CA TRP A 33 6.666 -4.461 3.944 1.00 0.00 C ATOM 454 C TRP A 33 5.761 -4.163 5.134 1.00 0.00 C ATOM 455 O TRP A 33 6.016 -4.617 6.249 1.00 0.00 O ATOM 456 CB TRP A 33 6.104 -5.636 3.142 1.00 0.00 C ATOM 457 CG TRP A 33 5.943 -6.886 3.953 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.758 -7.982 3.941 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.900 -7.169 4.894 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.286 -8.929 4.817 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.148 -8.454 5.415 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.785 -6.461 5.348 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.318 -9.044 6.365 1.00 0.00 C ATOM 464 CZ3 TRP A 33 2.962 -7.048 6.290 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.233 -8.328 6.791 1.00 0.00 C ATOM 0 H TRP A 33 8.083 -5.352 5.208 1.00 0.00 H new ATOM 0 HA TRP A 33 6.699 -3.577 3.307 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.136 -5.354 2.727 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.765 -5.841 2.300 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.644 -8.088 3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.713 -9.838 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.570 -5.473 4.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.524 -10.031 6.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.095 -6.511 6.646 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.572 -8.758 7.529 1.00 0.00 H new ATOM 476 N VAL A 34 4.704 -3.395 4.891 1.00 0.00 N ATOM 477 CA VAL A 34 3.760 -3.037 5.943 1.00 0.00 C ATOM 478 C VAL A 34 2.373 -2.770 5.369 1.00 0.00 C ATOM 479 O VAL A 34 2.231 -2.114 4.336 1.00 0.00 O ATOM 480 CB VAL A 34 4.230 -1.792 6.719 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.354 -0.597 5.787 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.278 -1.489 7.865 1.00 0.00 C ATOM 0 H VAL A 34 4.480 -3.008 3.974 1.00 0.00 H new ATOM 0 HA VAL A 34 3.711 -3.885 6.626 1.00 0.00 H new ATOM 0 HB VAL A 34 5.215 -1.997 7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.687 0.273 6.353 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.079 -0.820 5.004 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.385 -0.386 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.625 -0.607 8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.280 -1.303 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.246 -2.339 8.546 1.00 0.00 H new ATOM 492 N THR A 35 1.349 -3.282 6.046 1.00 0.00 N ATOM 493 CA THR A 35 -0.027 -3.101 5.604 1.00 0.00 C ATOM 494 C THR A 35 -0.770 -2.125 6.509 1.00 0.00 C ATOM 495 O THR A 35 -0.494 -2.039 7.706 1.00 0.00 O ATOM 496 CB THR A 35 -0.789 -4.439 5.576 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.487 -5.200 6.750 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.424 -5.243 4.338 1.00 0.00 C ATOM 0 H THR A 35 1.448 -3.826 6.903 1.00 0.00 H new ATOM 0 HA THR A 35 0.016 -2.695 4.593 1.00 0.00 H new ATOM 0 HB THR A 35 -1.857 -4.223 5.549 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.405 -5.595 6.663 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.974 -6.184 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.682 -4.673 3.445 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.646 -5.449 4.340 1.00 0.00 H new ATOM 506 N PHE A 36 -1.715 -1.391 5.930 1.00 0.00 N ATOM 507 CA PHE A 36 -2.499 -0.420 6.685 1.00 0.00 C ATOM 508 C PHE A 36 -3.993 -0.643 6.471 1.00 0.00 C ATOM 509 O PHE A 36 -4.564 -0.178 5.484 1.00 0.00 O ATOM 510 CB PHE A 36 -2.119 1.003 6.274 1.00 0.00 C ATOM 511 CG PHE A 36 -0.651 1.294 6.404 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.214 1.049 5.350 1.00 0.00 C ATOM 513 CD2 PHE A 36 -0.135 1.813 7.582 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.565 1.314 5.468 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.214 2.080 7.705 1.00 0.00 C ATOM 516 CZ PHE A 36 2.065 1.832 6.646 1.00 0.00 C ATOM 0 H PHE A 36 -1.956 -1.450 4.941 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.278 -0.556 7.744 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.423 1.167 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.677 1.711 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.172 0.646 4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.796 2.011 8.413 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.229 1.116 4.640 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.603 2.482 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.120 2.043 6.739 1.00 0.00 H new ATOM 526 N ARG A 37 -4.618 -1.356 7.400 1.00 0.00 N ATOM 527 CA ARG A 37 -6.045 -1.642 7.312 1.00 0.00 C ATOM 528 C ARG A 37 -6.848 -0.675 8.178 1.00 0.00 C ATOM 529 O ARG A 37 -6.281 0.137 8.909 1.00 0.00 O ATOM 530 CB ARG A 37 -6.327 -3.083 7.744 1.00 0.00 C ATOM 531 CG ARG A 37 -5.903 -3.385 9.172 1.00 0.00 C ATOM 532 CD ARG A 37 -5.625 -4.867 9.369 1.00 0.00 C ATOM 533 NE ARG A 37 -5.525 -5.221 10.783 1.00 0.00 N ATOM 534 CZ ARG A 37 -5.750 -6.443 11.252 1.00 0.00 C ATOM 535 NH1 ARG A 37 -6.086 -7.423 10.424 1.00 0.00 N ATOM 536 NH2 ARG A 37 -5.637 -6.687 12.551 1.00 0.00 N ATOM 0 H ARG A 37 -4.159 -1.747 8.223 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.351 -1.514 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.394 -3.282 7.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.809 -3.764 7.069 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.010 -2.810 9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.686 -3.066 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.420 -5.450 8.904 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.697 -5.133 8.862 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.268 -4.490 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.172 -7.239 9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.258 -8.361 10.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.377 -5.936 13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.810 -7.626 12.911 1.00 0.00 H new ATOM 550 N TYR A 38 -8.170 -0.767 8.089 1.00 0.00 N ATOM 551 CA TYR A 38 -9.050 0.100 8.861 1.00 0.00 C ATOM 552 C TYR A 38 -9.474 -0.572 10.164 1.00 0.00 C ATOM 553 O TYR A 38 -9.628 -1.792 10.224 1.00 0.00 O ATOM 554 CB TYR A 38 -10.287 0.469 8.040 1.00 0.00 C ATOM 555 CG TYR A 38 -9.962 1.125 6.716 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.799 2.502 6.622 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.816 0.367 5.561 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.503 3.104 5.415 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.519 0.961 4.350 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.364 2.330 4.282 1.00 0.00 C ATOM 561 OH TYR A 38 -9.067 2.927 3.079 1.00 0.00 O ATOM 0 H TYR A 38 -8.656 -1.434 7.489 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.499 1.008 9.104 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.872 -0.432 7.856 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.914 1.142 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.906 3.111 7.507 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.937 -0.705 5.611 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.381 4.176 5.359 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.409 0.357 3.461 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.226 2.562 2.732 1.00 0.00 H new ATOM 571 N ASP A 39 -9.658 0.233 11.204 1.00 0.00 N ATOM 572 CA ASP A 39 -10.065 -0.282 12.507 1.00 0.00 C ATOM 573 C ASP A 39 -11.399 0.321 12.938 1.00 0.00 C ATOM 574 O ASP A 39 -11.767 0.267 14.110 1.00 0.00 O ATOM 575 CB ASP A 39 -8.993 0.018 13.555 1.00 0.00 C ATOM 576 CG ASP A 39 -8.976 -1.004 14.674 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.261 -2.189 14.401 1.00 0.00 O ATOM 578 OD2 ASP A 39 -8.674 -0.620 15.824 1.00 0.00 O ATOM 0 H ASP A 39 -9.532 1.245 11.171 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.186 -1.362 12.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.015 0.042 13.074 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.166 1.009 13.974 1.00 0.00 H new ATOM 583 N GLY A 40 -12.120 0.897 11.980 1.00 0.00 N ATOM 584 CA GLY A 40 -13.404 1.503 12.280 1.00 0.00 C ATOM 585 C GLY A 40 -13.443 2.978 11.933 1.00 0.00 C ATOM 586 O GLY A 40 -13.439 3.831 12.821 1.00 0.00 O ATOM 0 H GLY A 40 -11.837 0.955 11.002 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -14.186 0.982 11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.624 1.376 13.340 1.00 0.00 H new ATOM 590 N ALA A 41 -13.481 3.279 10.640 1.00 0.00 N ATOM 591 CA ALA A 41 -13.522 4.662 10.178 1.00 0.00 C ATOM 592 C ALA A 41 -12.194 5.366 10.433 1.00 0.00 C ATOM 593 O ALA A 41 -12.140 6.590 10.551 1.00 0.00 O ATOM 594 CB ALA A 41 -14.658 5.412 10.859 1.00 0.00 C ATOM 0 H ALA A 41 -13.484 2.584 9.893 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.699 4.655 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.677 6.443 10.505 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.606 4.929 10.622 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.505 5.402 11.938 1.00 0.00 H new ATOM 600 N THR A 42 -11.122 4.583 10.520 1.00 0.00 N ATOM 601 CA THR A 42 -9.794 5.131 10.762 1.00 0.00 C ATOM 602 C THR A 42 -8.709 4.168 10.298 1.00 0.00 C ATOM 603 O THR A 42 -8.665 3.013 10.726 1.00 0.00 O ATOM 604 CB THR A 42 -9.580 5.446 12.256 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.706 6.168 12.770 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.312 6.260 12.461 1.00 0.00 C ATOM 0 H THR A 42 -11.149 3.568 10.426 1.00 0.00 H new ATOM 0 HA THR A 42 -9.725 6.056 10.189 1.00 0.00 H new ATOM 0 HB THR A 42 -9.477 4.503 12.793 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.105 6.705 12.054 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.182 6.470 13.523 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.454 5.696 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.389 7.199 11.912 1.00 0.00 H new ATOM 614 N ILE A 43 -7.832 4.647 9.423 1.00 0.00 N ATOM 615 CA ILE A 43 -6.745 3.828 8.902 1.00 0.00 C ATOM 616 C ILE A 43 -5.683 3.582 9.968 1.00 0.00 C ATOM 617 O ILE A 43 -5.313 4.490 10.713 1.00 0.00 O ATOM 618 CB ILE A 43 -6.083 4.483 7.675 1.00 0.00 C ATOM 619 CG1 ILE A 43 -7.140 4.836 6.627 1.00 0.00 C ATOM 620 CG2 ILE A 43 -5.030 3.558 7.085 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.706 5.932 5.677 1.00 0.00 C ATOM 0 H ILE A 43 -7.853 5.600 9.059 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.183 2.876 8.602 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.592 5.403 7.992 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.382 3.942 6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.054 5.146 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.571 4.035 6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.265 3.353 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.498 2.622 6.779 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.504 6.130 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.491 6.839 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.810 5.617 5.143 1.00 0.00 H new ATOM 633 N VAL A 44 -5.193 2.348 10.036 1.00 0.00 N ATOM 634 CA VAL A 44 -4.171 1.982 11.008 1.00 0.00 C ATOM 635 C VAL A 44 -3.319 0.824 10.502 1.00 0.00 C ATOM 636 O VAL A 44 -3.803 -0.089 9.833 1.00 0.00 O ATOM 637 CB VAL A 44 -4.797 1.592 12.360 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.648 2.730 12.904 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.620 0.321 12.219 1.00 0.00 C ATOM 0 H VAL A 44 -5.488 1.584 9.428 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.539 2.859 11.148 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.993 1.400 13.070 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.082 2.435 13.860 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.026 3.614 13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.447 2.957 12.198 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.055 0.060 13.184 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.417 0.482 11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.979 -0.492 11.879 1.00 0.00 H new ATOM 649 N PRO A 45 -2.019 0.860 10.827 1.00 0.00 N ATOM 650 CA PRO A 45 -1.070 -0.180 10.416 1.00 0.00 C ATOM 651 C PRO A 45 -1.552 -1.580 10.780 1.00 0.00 C ATOM 652 O PRO A 45 -1.586 -1.950 11.953 1.00 0.00 O ATOM 653 CB PRO A 45 0.200 0.168 11.197 1.00 0.00 C ATOM 654 CG PRO A 45 0.094 1.630 11.458 1.00 0.00 C ATOM 655 CD PRO A 45 -1.373 1.918 11.622 1.00 0.00 C ATOM 0 HA PRO A 45 -0.930 -0.199 9.335 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.260 -0.397 12.127 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.096 -0.068 10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.648 1.907 12.355 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.514 2.205 10.633 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.676 1.876 12.668 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.631 2.911 11.255 1.00 0.00 H new ATOM 663 N GLY A 46 -1.923 -2.354 9.766 1.00 0.00 N ATOM 664 CA GLY A 46 -2.398 -3.706 10.000 1.00 0.00 C ATOM 665 C GLY A 46 -1.273 -4.665 10.336 1.00 0.00 C ATOM 666 O GLY A 46 -0.817 -4.721 11.478 1.00 0.00 O ATOM 0 H GLY A 46 -1.903 -2.070 8.787 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.121 -3.698 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.923 -4.062 9.113 1.00 0.00 H new ATOM 670 N ASP A 47 -0.827 -5.423 9.341 1.00 0.00 N ATOM 671 CA ASP A 47 0.251 -6.386 9.537 1.00 0.00 C ATOM 672 C ASP A 47 1.607 -5.751 9.246 1.00 0.00 C ATOM 673 O ASP A 47 1.682 -4.607 8.796 1.00 0.00 O ATOM 674 CB ASP A 47 0.043 -7.607 8.638 1.00 0.00 C ATOM 675 CG ASP A 47 -1.071 -8.508 9.136 1.00 0.00 C ATOM 676 OD1 ASP A 47 -2.252 -8.151 8.948 1.00 0.00 O ATOM 677 OD2 ASP A 47 -0.760 -9.571 9.714 1.00 0.00 O ATOM 0 H ASP A 47 -1.195 -5.390 8.390 1.00 0.00 H new ATOM 0 HA ASP A 47 0.235 -6.704 10.579 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.187 -7.275 7.626 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.971 -8.177 8.583 1.00 0.00 H new ATOM 682 N GLN A 48 2.674 -6.499 9.506 1.00 0.00 N ATOM 683 CA GLN A 48 4.026 -6.007 9.274 1.00 0.00 C ATOM 684 C GLN A 48 5.043 -7.139 9.383 1.00 0.00 C ATOM 685 O GLN A 48 4.969 -7.969 10.289 1.00 0.00 O ATOM 686 CB GLN A 48 4.368 -4.900 10.273 1.00 0.00 C ATOM 687 CG GLN A 48 5.568 -4.062 9.863 1.00 0.00 C ATOM 688 CD GLN A 48 5.966 -3.056 10.926 1.00 0.00 C ATOM 689 OE1 GLN A 48 6.952 -3.248 11.640 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.201 -1.977 11.038 1.00 0.00 N ATOM 0 H GLN A 48 2.628 -7.448 9.877 1.00 0.00 H new ATOM 0 HA GLN A 48 4.069 -5.600 8.264 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.503 -4.248 10.391 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.564 -5.348 11.247 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.412 -4.720 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.339 -3.535 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.394 -1.858 10.426 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.420 -1.267 11.736 1.00 0.00 H new ATOM 699 N GLY A 49 5.993 -7.166 8.453 1.00 0.00 N ATOM 700 CA GLY A 49 7.011 -8.201 8.463 1.00 0.00 C ATOM 701 C GLY A 49 8.022 -8.030 7.346 1.00 0.00 C ATOM 702 O GLY A 49 7.849 -7.186 6.467 1.00 0.00 O ATOM 0 H GLY A 49 6.076 -6.490 7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.528 -8.188 9.422 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.534 -9.177 8.371 1.00 0.00 H new ATOM 706 N ALA A 50 9.080 -8.832 7.380 1.00 0.00 N ATOM 707 CA ALA A 50 10.123 -8.766 6.364 1.00 0.00 C ATOM 708 C ALA A 50 9.900 -9.817 5.281 1.00 0.00 C ATOM 709 O ALA A 50 10.505 -9.756 4.209 1.00 0.00 O ATOM 710 CB ALA A 50 11.493 -8.945 7.000 1.00 0.00 C ATOM 0 H ALA A 50 9.238 -9.536 8.101 1.00 0.00 H new ATOM 0 HA ALA A 50 10.078 -7.783 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.262 -8.893 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.660 -8.155 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.540 -9.915 7.495 1.00 0.00 H new ATOM 716 N ASP A 51 9.030 -10.779 5.566 1.00 0.00 N ATOM 717 CA ASP A 51 8.726 -11.843 4.616 1.00 0.00 C ATOM 718 C ASP A 51 7.600 -11.426 3.675 1.00 0.00 C ATOM 719 O ASP A 51 6.443 -11.328 4.082 1.00 0.00 O ATOM 720 CB ASP A 51 8.342 -13.124 5.357 1.00 0.00 C ATOM 721 CG ASP A 51 9.443 -13.613 6.278 1.00 0.00 C ATOM 722 OD1 ASP A 51 9.689 -12.954 7.309 1.00 0.00 O ATOM 723 OD2 ASP A 51 10.058 -14.654 5.965 1.00 0.00 O ATOM 0 H ASP A 51 8.522 -10.844 6.448 1.00 0.00 H new ATOM 0 HA ASP A 51 9.620 -12.032 4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 51 7.438 -12.946 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.106 -13.903 4.632 1.00 0.00 H new ATOM 728 N TYR A 52 7.947 -11.183 2.416 1.00 0.00 N ATOM 729 CA TYR A 52 6.966 -10.773 1.418 1.00 0.00 C ATOM 730 C TYR A 52 5.836 -11.793 1.315 1.00 0.00 C ATOM 731 O TYR A 52 4.708 -11.452 0.962 1.00 0.00 O ATOM 732 CB TYR A 52 7.636 -10.597 0.055 1.00 0.00 C ATOM 733 CG TYR A 52 6.880 -9.681 -0.878 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.674 -10.075 -1.447 1.00 0.00 C ATOM 735 CD2 TYR A 52 7.369 -8.419 -1.192 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.980 -9.240 -2.301 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.681 -7.576 -2.044 1.00 0.00 C ATOM 738 CZ TYR A 52 5.487 -7.992 -2.596 1.00 0.00 C ATOM 739 OH TYR A 52 4.798 -7.157 -3.445 1.00 0.00 O ATOM 0 H TYR A 52 8.900 -11.263 2.062 1.00 0.00 H new ATOM 0 HA TYR A 52 6.543 -9.819 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.641 -10.202 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.743 -11.574 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.273 -11.051 -1.217 1.00 0.00 H new ATOM 0 HD2 TYR A 52 8.304 -8.091 -0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.045 -9.563 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.075 -6.598 -2.276 1.00 0.00 H new ATOM 0 HH TYR A 52 4.119 -7.671 -3.930 1.00 0.00 H new ATOM 749 N GLN A 53 6.150 -13.047 1.626 1.00 0.00 N ATOM 750 CA GLN A 53 5.162 -14.117 1.568 1.00 0.00 C ATOM 751 C GLN A 53 4.157 -13.993 2.708 1.00 0.00 C ATOM 752 O GLN A 53 3.048 -14.523 2.632 1.00 0.00 O ATOM 753 CB GLN A 53 5.853 -15.482 1.628 1.00 0.00 C ATOM 754 CG GLN A 53 6.657 -15.811 0.380 1.00 0.00 C ATOM 755 CD GLN A 53 5.784 -15.983 -0.848 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.171 -17.032 -1.047 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.722 -14.949 -1.680 1.00 0.00 N ATOM 0 H GLN A 53 7.080 -13.346 1.920 1.00 0.00 H new ATOM 0 HA GLN A 53 4.625 -14.030 0.623 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.515 -15.508 2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.100 -16.255 1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.380 -15.016 0.198 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.225 -16.726 0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.247 -14.098 -1.476 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.150 -15.006 -2.522 1.00 0.00 H new ATOM 766 N HIS A 54 4.552 -13.290 3.765 1.00 0.00 N ATOM 767 CA HIS A 54 3.685 -13.096 4.921 1.00 0.00 C ATOM 768 C HIS A 54 2.662 -11.997 4.655 1.00 0.00 C ATOM 769 O HIS A 54 1.573 -11.995 5.231 1.00 0.00 O ATOM 770 CB HIS A 54 4.517 -12.745 6.156 1.00 0.00 C ATOM 771 CG HIS A 54 4.973 -13.944 6.930 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.553 -13.858 8.178 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.932 -15.263 6.627 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.849 -15.071 8.609 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.482 -15.941 7.685 1.00 0.00 N ATOM 0 H HIS A 54 5.467 -12.846 3.844 1.00 0.00 H new ATOM 0 HA HIS A 54 3.151 -14.029 5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.389 -12.170 5.845 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.928 -12.102 6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.539 -15.700 5.721 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.312 -15.311 9.555 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.590 -16.953 7.748 1.00 0.00 H new ATOM 784 N PHE A 55 3.018 -11.063 3.779 1.00 0.00 N ATOM 785 CA PHE A 55 2.131 -9.957 3.437 1.00 0.00 C ATOM 786 C PHE A 55 1.020 -10.420 2.499 1.00 0.00 C ATOM 787 O PHE A 55 -0.149 -10.082 2.690 1.00 0.00 O ATOM 788 CB PHE A 55 2.924 -8.822 2.786 1.00 0.00 C ATOM 789 CG PHE A 55 2.187 -8.141 1.668 1.00 0.00 C ATOM 790 CD1 PHE A 55 1.043 -7.402 1.924 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.640 -8.238 0.362 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.362 -6.775 0.896 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.964 -7.613 -0.669 1.00 0.00 C ATOM 794 CZ PHE A 55 0.825 -6.880 -0.401 1.00 0.00 C ATOM 0 H PHE A 55 3.915 -11.050 3.293 1.00 0.00 H new ATOM 0 HA PHE A 55 1.676 -9.591 4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.177 -8.083 3.547 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.864 -9.219 2.402 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.679 -7.315 2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.532 -8.809 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.530 -6.204 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.326 -7.698 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.297 -6.389 -1.205 1.00 0.00 H new ATOM 804 N ILE A 56 1.393 -11.195 1.487 1.00 0.00 N ATOM 805 CA ILE A 56 0.430 -11.705 0.520 1.00 0.00 C ATOM 806 C ILE A 56 -0.573 -12.642 1.184 1.00 0.00 C ATOM 807 O ILE A 56 -1.660 -12.877 0.658 1.00 0.00 O ATOM 808 CB ILE A 56 1.129 -12.452 -0.632 1.00 0.00 C ATOM 809 CG1 ILE A 56 2.083 -11.512 -1.372 1.00 0.00 C ATOM 810 CG2 ILE A 56 0.100 -13.033 -1.589 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.978 -12.221 -2.366 1.00 0.00 C ATOM 0 H ILE A 56 2.356 -11.484 1.315 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.097 -10.841 0.115 1.00 0.00 H new ATOM 0 HB ILE A 56 1.710 -13.274 -0.213 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.500 -10.754 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.704 -10.990 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.610 -13.557 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.543 -13.731 -1.052 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.506 -12.228 -2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.628 -11.494 -2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.587 -12.960 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.365 -12.720 -3.116 1.00 0.00 H new ATOM 823 N GLN A 57 -0.199 -13.174 2.343 1.00 0.00 N ATOM 824 CA GLN A 57 -1.066 -14.085 3.081 1.00 0.00 C ATOM 825 C GLN A 57 -2.109 -13.314 3.882 1.00 0.00 C ATOM 826 O GLN A 57 -2.928 -13.907 4.584 1.00 0.00 O ATOM 827 CB GLN A 57 -0.237 -14.968 4.015 1.00 0.00 C ATOM 828 CG GLN A 57 0.386 -16.170 3.325 1.00 0.00 C ATOM 829 CD GLN A 57 -0.579 -16.868 2.386 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.346 -17.739 2.799 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.546 -16.487 1.113 1.00 0.00 N ATOM 0 H GLN A 57 0.699 -12.990 2.791 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.584 -14.718 2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.554 -14.366 4.462 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.872 -15.316 4.830 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.264 -15.848 2.765 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.731 -16.878 4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 57 0.106 -15.761 0.815 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.172 -16.920 0.435 1.00 0.00 H new ATOM 840 N GLN A 58 -2.073 -11.991 3.773 1.00 0.00 N ATOM 841 CA GLN A 58 -3.015 -11.139 4.490 1.00 0.00 C ATOM 842 C GLN A 58 -4.093 -10.609 3.550 1.00 0.00 C ATOM 843 O GLN A 58 -5.281 -10.641 3.872 1.00 0.00 O ATOM 844 CB GLN A 58 -2.281 -9.971 5.150 1.00 0.00 C ATOM 845 CG GLN A 58 -0.937 -10.358 5.749 1.00 0.00 C ATOM 846 CD GLN A 58 -1.063 -10.931 7.146 1.00 0.00 C ATOM 847 OE1 GLN A 58 -1.977 -10.580 7.893 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.145 -11.820 7.507 1.00 0.00 N ATOM 0 H GLN A 58 -1.402 -11.485 3.195 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.494 -11.741 5.262 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.127 -9.185 4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.912 -9.552 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.453 -11.090 5.103 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.290 -9.481 5.777 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.595 -12.082 6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.180 -12.241 8.435 1.00 0.00 H new ATOM 857 N CYS A 59 -3.672 -10.124 2.388 1.00 0.00 N ATOM 858 CA CYS A 59 -4.602 -9.587 1.400 1.00 0.00 C ATOM 859 C CYS A 59 -5.500 -10.687 0.844 1.00 0.00 C ATOM 860 O CYS A 59 -5.034 -11.592 0.150 1.00 0.00 O ATOM 861 CB CYS A 59 -3.836 -8.912 0.262 1.00 0.00 C ATOM 862 SG CYS A 59 -2.415 -9.859 -0.335 1.00 0.00 S ATOM 0 H CYS A 59 -2.692 -10.091 2.106 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.231 -8.846 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.519 -8.740 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.492 -7.934 0.600 1.00 0.00 H new ATOM 0 HG CYS A 59 -2.424 -11.042 0.204 1.00 0.00 H new ATOM 868 N THR A 60 -6.790 -10.604 1.153 1.00 0.00 N ATOM 869 CA THR A 60 -7.753 -11.593 0.687 1.00 0.00 C ATOM 870 C THR A 60 -8.879 -10.936 -0.103 1.00 0.00 C ATOM 871 O THR A 60 -8.933 -9.711 -0.221 1.00 0.00 O ATOM 872 CB THR A 60 -8.360 -12.384 1.862 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.129 -11.509 2.696 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.269 -13.050 2.687 1.00 0.00 C ATOM 0 H THR A 60 -7.192 -9.861 1.725 1.00 0.00 H new ATOM 0 HA THR A 60 -7.210 -12.280 0.038 1.00 0.00 H new ATOM 0 HB THR A 60 -9.008 -13.159 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.513 -12.019 3.439 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.722 -13.602 3.511 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.704 -13.737 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.599 -12.289 3.086 1.00 0.00 H new ATOM 882 N ASP A 61 -9.774 -11.755 -0.642 1.00 0.00 N ATOM 883 CA ASP A 61 -10.900 -11.252 -1.420 1.00 0.00 C ATOM 884 C ASP A 61 -12.011 -10.748 -0.505 1.00 0.00 C ATOM 885 O ASP A 61 -13.069 -10.326 -0.971 1.00 0.00 O ATOM 886 CB ASP A 61 -11.440 -12.346 -2.343 1.00 0.00 C ATOM 887 CG ASP A 61 -11.501 -13.699 -1.662 1.00 0.00 C ATOM 888 OD1 ASP A 61 -10.437 -14.331 -1.499 1.00 0.00 O ATOM 889 OD2 ASP A 61 -12.615 -14.126 -1.291 1.00 0.00 O ATOM 0 H ASP A 61 -9.742 -12.771 -0.555 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.546 -10.418 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.437 -12.069 -2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.807 -12.416 -3.228 1.00 0.00 H new ATOM 894 N ASP A 62 -11.764 -10.796 0.800 1.00 0.00 N ATOM 895 CA ASP A 62 -12.743 -10.344 1.781 1.00 0.00 C ATOM 896 C ASP A 62 -12.180 -9.206 2.627 1.00 0.00 C ATOM 897 O ASP A 62 -12.689 -8.913 3.708 1.00 0.00 O ATOM 898 CB ASP A 62 -13.167 -11.505 2.681 1.00 0.00 C ATOM 899 CG ASP A 62 -13.549 -12.742 1.892 1.00 0.00 C ATOM 900 OD1 ASP A 62 -14.502 -12.662 1.088 1.00 0.00 O ATOM 901 OD2 ASP A 62 -12.895 -13.788 2.077 1.00 0.00 O ATOM 0 H ASP A 62 -10.894 -11.144 1.202 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.616 -9.974 1.243 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.351 -11.750 3.361 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -14.012 -11.194 3.295 1.00 0.00 H new ATOM 906 N VAL A 63 -11.126 -8.570 2.127 1.00 0.00 N ATOM 907 CA VAL A 63 -10.493 -7.465 2.837 1.00 0.00 C ATOM 908 C VAL A 63 -9.782 -6.524 1.868 1.00 0.00 C ATOM 909 O VAL A 63 -9.465 -6.903 0.740 1.00 0.00 O ATOM 910 CB VAL A 63 -9.478 -7.973 3.877 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.369 -8.765 3.201 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.905 -6.812 4.675 1.00 0.00 C ATOM 0 H VAL A 63 -10.692 -8.801 1.233 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.287 -6.923 3.350 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.996 -8.638 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.662 -9.115 3.953 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.799 -9.621 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.851 -8.127 2.485 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.190 -7.190 5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.403 -6.119 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.712 -6.293 5.193 1.00 0.00 H new ATOM 922 N ARG A 64 -9.537 -5.298 2.316 1.00 0.00 N ATOM 923 CA ARG A 64 -8.864 -4.303 1.489 1.00 0.00 C ATOM 924 C ARG A 64 -8.081 -3.318 2.352 1.00 0.00 C ATOM 925 O ARG A 64 -8.604 -2.779 3.327 1.00 0.00 O ATOM 926 CB ARG A 64 -9.882 -3.549 0.633 1.00 0.00 C ATOM 927 CG ARG A 64 -10.796 -2.635 1.434 1.00 0.00 C ATOM 928 CD ARG A 64 -11.727 -3.430 2.336 1.00 0.00 C ATOM 929 NE ARG A 64 -11.154 -3.640 3.664 1.00 0.00 N ATOM 930 CZ ARG A 64 -11.842 -4.123 4.692 1.00 0.00 C ATOM 931 NH1 ARG A 64 -13.120 -4.447 4.546 1.00 0.00 N ATOM 932 NH2 ARG A 64 -11.252 -4.287 5.869 1.00 0.00 N ATOM 0 H ARG A 64 -9.794 -4.969 3.247 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.164 -4.824 0.836 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.350 -2.955 -0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.491 -4.271 0.088 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.195 -1.956 2.038 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.385 -2.020 0.753 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.677 -2.904 2.430 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.941 -4.395 1.876 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.173 -3.403 3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.577 -4.325 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.646 -4.818 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.269 -4.042 5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.782 -4.658 6.658 1.00 0.00 H new ATOM 946 N LEU A 65 -6.825 -3.089 1.988 1.00 0.00 N ATOM 947 CA LEU A 65 -5.969 -2.170 2.728 1.00 0.00 C ATOM 948 C LEU A 65 -4.706 -1.844 1.937 1.00 0.00 C ATOM 949 O LEU A 65 -4.423 -2.468 0.914 1.00 0.00 O ATOM 950 CB LEU A 65 -5.594 -2.770 4.085 1.00 0.00 C ATOM 951 CG LEU A 65 -4.977 -4.168 4.026 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.005 -5.186 3.560 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.763 -4.176 3.107 1.00 0.00 C ATOM 0 H LEU A 65 -6.376 -3.528 1.184 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.524 -1.246 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.891 -2.100 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.488 -2.810 4.707 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.652 -4.443 5.029 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.548 -6.175 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.845 -5.199 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.361 -4.915 2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.336 -5.179 3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.065 -3.880 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.017 -3.476 3.483 1.00 0.00 H new ATOM 965 N PHE A 66 -3.950 -0.862 2.417 1.00 0.00 N ATOM 966 CA PHE A 66 -2.718 -0.451 1.755 1.00 0.00 C ATOM 967 C PHE A 66 -1.553 -1.343 2.171 1.00 0.00 C ATOM 968 O PHE A 66 -1.539 -1.890 3.274 1.00 0.00 O ATOM 969 CB PHE A 66 -2.400 1.010 2.083 1.00 0.00 C ATOM 970 CG PHE A 66 -3.573 1.931 1.911 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.570 1.993 2.871 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.679 2.737 0.789 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.650 2.841 2.715 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.757 3.587 0.627 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.743 3.639 1.593 1.00 0.00 C ATOM 0 H PHE A 66 -4.170 -0.336 3.263 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.863 -0.551 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.045 1.074 3.112 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.585 1.349 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.502 1.371 3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.910 2.701 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.421 2.879 3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.828 4.209 -0.253 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.586 4.303 1.470 1.00 0.00 H new ATOM 985 N ALA A 67 -0.576 -1.487 1.281 1.00 0.00 N ATOM 986 CA ALA A 67 0.593 -2.311 1.557 1.00 0.00 C ATOM 987 C ALA A 67 1.865 -1.652 1.030 1.00 0.00 C ATOM 988 O ALA A 67 2.154 -1.706 -0.166 1.00 0.00 O ATOM 989 CB ALA A 67 0.421 -3.694 0.946 1.00 0.00 C ATOM 0 H ALA A 67 -0.572 -1.043 0.363 1.00 0.00 H new ATOM 0 HA ALA A 67 0.688 -2.413 2.638 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.302 -4.299 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.460 -4.173 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.298 -3.602 -0.133 1.00 0.00 H new ATOM 995 N PHE A 68 2.621 -1.032 1.930 1.00 0.00 N ATOM 996 CA PHE A 68 3.860 -0.362 1.555 1.00 0.00 C ATOM 997 C PHE A 68 5.052 -1.306 1.688 1.00 0.00 C ATOM 998 O PHE A 68 5.349 -1.798 2.777 1.00 0.00 O ATOM 999 CB PHE A 68 4.078 0.878 2.425 1.00 0.00 C ATOM 1000 CG PHE A 68 5.388 1.567 2.169 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.584 0.971 2.538 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.424 2.812 1.561 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.790 1.602 2.304 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.628 3.447 1.324 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.812 2.843 1.697 1.00 0.00 C ATOM 0 H PHE A 68 2.397 -0.980 2.924 1.00 0.00 H new ATOM 0 HA PHE A 68 3.776 -0.056 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.265 1.583 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.028 0.589 3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.573 0.002 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.501 3.291 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.715 1.126 2.595 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.643 4.416 0.847 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.754 3.340 1.515 1.00 0.00 H new ATOM 1015 N VAL A 69 5.729 -1.557 0.572 1.00 0.00 N ATOM 1016 CA VAL A 69 6.887 -2.442 0.563 1.00 0.00 C ATOM 1017 C VAL A 69 8.107 -1.744 -0.025 1.00 0.00 C ATOM 1018 O VAL A 69 7.983 -0.886 -0.901 1.00 0.00 O ATOM 1019 CB VAL A 69 6.607 -3.726 -0.240 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.756 -4.711 -0.091 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.294 -4.355 0.203 1.00 0.00 C ATOM 0 H VAL A 69 5.495 -1.160 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 69 7.089 -2.709 1.600 1.00 0.00 H new ATOM 0 HB VAL A 69 6.521 -3.463 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.540 -5.612 -0.665 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.675 -4.257 -0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.878 -4.972 0.960 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.112 -5.261 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.350 -4.605 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.479 -3.650 0.039 1.00 0.00 H new ATOM 1031 N ARG A 70 9.288 -2.117 0.459 1.00 0.00 N ATOM 1032 CA ARG A 70 10.532 -1.526 -0.019 1.00 0.00 C ATOM 1033 C ARG A 70 11.270 -2.488 -0.943 1.00 0.00 C ATOM 1034 O ARG A 70 11.584 -3.616 -0.561 1.00 0.00 O ATOM 1035 CB ARG A 70 11.427 -1.146 1.162 1.00 0.00 C ATOM 1036 CG ARG A 70 12.862 -0.841 0.764 1.00 0.00 C ATOM 1037 CD ARG A 70 13.796 -0.892 1.964 1.00 0.00 C ATOM 1038 NE ARG A 70 15.111 -0.336 1.657 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.249 -0.992 1.851 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.233 -2.222 2.347 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.407 -0.420 1.547 1.00 0.00 N ATOM 0 H ARG A 70 9.409 -2.826 1.182 1.00 0.00 H new ATOM 0 HA ARG A 70 10.286 -0.626 -0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.004 -0.274 1.662 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.425 -1.961 1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.193 -1.559 0.013 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.911 0.146 0.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.353 -0.339 2.792 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.907 -1.925 2.294 1.00 0.00 H new ATOM 0 HE ARG A 70 15.158 0.608 1.273 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.345 -2.666 2.580 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.109 -2.724 2.495 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.424 0.525 1.164 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.280 -0.925 1.697 1.00 0.00 H new ATOM 1239 N PHE A 83 10.114 2.038 -3.390 1.00 0.00 N ATOM 1240 CA PHE A 83 8.933 1.690 -2.608 1.00 0.00 C ATOM 1241 C PHE A 83 7.663 1.854 -3.437 1.00 0.00 C ATOM 1242 O PHE A 83 7.697 2.388 -4.546 1.00 0.00 O ATOM 1243 CB PHE A 83 8.852 2.560 -1.352 1.00 0.00 C ATOM 1244 CG PHE A 83 10.174 2.745 -0.664 1.00 0.00 C ATOM 1245 CD1 PHE A 83 11.062 3.719 -1.092 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.530 1.944 0.410 1.00 0.00 C ATOM 1247 CE1 PHE A 83 12.280 3.892 -0.462 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.746 2.113 1.044 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.622 3.088 0.607 1.00 0.00 C ATOM 0 HA PHE A 83 9.020 0.644 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.452 3.537 -1.622 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.148 2.110 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.799 4.350 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.849 1.180 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.963 4.655 -0.805 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.011 1.483 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.573 3.221 1.101 1.00 0.00 H new ATOM 1259 N ALA A 84 6.543 1.391 -2.892 1.00 0.00 N ATOM 1260 CA ALA A 84 5.262 1.487 -3.580 1.00 0.00 C ATOM 1261 C ALA A 84 4.115 1.066 -2.666 1.00 0.00 C ATOM 1262 O ALA A 84 4.143 -0.015 -2.078 1.00 0.00 O ATOM 1263 CB ALA A 84 5.274 0.635 -4.841 1.00 0.00 C ATOM 0 H ALA A 84 6.497 0.946 -1.976 1.00 0.00 H new ATOM 0 HA ALA A 84 5.106 2.529 -3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.311 0.717 -5.344 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.063 0.983 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.457 -0.406 -4.575 1.00 0.00 H new ATOM 1269 N LEU A 85 3.109 1.926 -2.552 1.00 0.00 N ATOM 1270 CA LEU A 85 1.954 1.644 -1.708 1.00 0.00 C ATOM 1271 C LEU A 85 0.959 0.743 -2.433 1.00 0.00 C ATOM 1272 O LEU A 85 0.067 1.221 -3.135 1.00 0.00 O ATOM 1273 CB LEU A 85 1.268 2.948 -1.292 1.00 0.00 C ATOM 1274 CG LEU A 85 0.342 2.834 -0.083 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.114 2.364 1.141 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.337 4.167 0.195 1.00 0.00 C ATOM 0 H LEU A 85 3.070 2.824 -3.034 1.00 0.00 H new ATOM 0 HA LEU A 85 2.305 1.126 -0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.035 3.691 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.692 3.323 -2.138 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.427 2.095 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.437 2.289 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.554 1.387 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.905 3.079 1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.993 4.068 1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.419 4.925 0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.924 4.464 -0.674 1.00 0.00 H new ATOM 1288 N ILE A 86 1.119 -0.565 -2.258 1.00 0.00 N ATOM 1289 CA ILE A 86 0.235 -1.534 -2.894 1.00 0.00 C ATOM 1290 C ILE A 86 -1.135 -1.550 -2.226 1.00 0.00 C ATOM 1291 O ILE A 86 -1.316 -2.153 -1.167 1.00 0.00 O ATOM 1292 CB ILE A 86 0.831 -2.953 -2.852 1.00 0.00 C ATOM 1293 CG1 ILE A 86 1.985 -3.075 -3.850 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.244 -3.988 -3.147 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.048 -4.063 -3.425 1.00 0.00 C ATOM 0 H ILE A 86 1.852 -0.978 -1.681 1.00 0.00 H new ATOM 0 HA ILE A 86 0.126 -1.226 -3.934 1.00 0.00 H new ATOM 0 HB ILE A 86 1.221 -3.138 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.587 -3.376 -4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.444 -2.095 -3.985 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.193 -4.986 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.035 -3.913 -2.401 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.661 -3.807 -4.138 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.834 -4.098 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.474 -3.752 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.603 -5.052 -3.318 1.00 0.00 H new ATOM 1307 N THR A 87 -2.101 -0.885 -2.852 1.00 0.00 N ATOM 1308 CA THR A 87 -3.456 -0.822 -2.319 1.00 0.00 C ATOM 1309 C THR A 87 -4.250 -2.070 -2.686 1.00 0.00 C ATOM 1310 O THR A 87 -4.730 -2.203 -3.812 1.00 0.00 O ATOM 1311 CB THR A 87 -4.207 0.420 -2.835 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.762 1.588 -2.135 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.708 0.258 -2.658 1.00 0.00 C ATOM 0 H THR A 87 -1.970 -0.382 -3.730 1.00 0.00 H new ATOM 0 HA THR A 87 -3.365 -0.758 -1.235 1.00 0.00 H new ATOM 0 HB THR A 87 -3.993 0.530 -3.898 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.960 1.493 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.216 1.148 -3.030 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.048 -0.614 -3.216 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.937 0.124 -1.601 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.384 -2.982 -1.730 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.121 -4.221 -1.955 1.00 0.00 C ATOM 1323 C TRP A 88 -6.620 -4.002 -1.783 1.00 0.00 C ATOM 1324 O TRP A 88 -7.051 -3.270 -0.891 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.639 -5.307 -0.992 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.490 -6.540 -1.012 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.213 -7.055 0.026 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.706 -7.415 -2.125 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.865 -8.196 -0.374 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.571 -8.438 -1.689 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.255 -7.432 -3.448 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -6.991 -9.465 -2.530 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.673 -8.453 -4.280 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.533 -9.457 -3.820 1.00 0.00 C ATOM 0 H TRP A 88 -3.993 -2.888 -0.793 1.00 0.00 H new ATOM 0 HA TRP A 88 -4.935 -4.544 -2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.614 -5.578 -1.245 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.621 -4.903 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.265 -6.628 1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.470 -8.770 0.213 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.592 -6.661 -3.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.655 -10.241 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.330 -8.477 -5.304 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.841 -10.241 -4.496 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.410 -4.639 -2.640 1.00 0.00 N ATOM 1346 CA ILE A 89 -8.861 -4.514 -2.581 1.00 0.00 C ATOM 1347 C ILE A 89 -9.542 -5.811 -3.003 1.00 0.00 C ATOM 1348 O ILE A 89 -9.675 -6.096 -4.193 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.363 -3.367 -3.478 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.738 -2.040 -3.044 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -10.881 -3.285 -3.430 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -8.896 -0.936 -4.065 1.00 0.00 C ATOM 0 H ILE A 89 -7.069 -5.248 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.118 -4.293 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.061 -3.569 -4.506 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.192 -1.723 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.677 -2.194 -2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.222 -2.470 -4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.307 -4.224 -3.782 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.203 -3.102 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.429 -0.025 -3.691 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.417 -1.232 -4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.956 -0.754 -4.243 1.00 0.00 H new ATOM 1364 N GLY A 90 -9.975 -6.593 -2.019 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.640 -7.850 -2.309 1.00 0.00 C ATOM 1366 C GLY A 90 -11.482 -7.784 -3.568 1.00 0.00 C ATOM 1367 O GLY A 90 -12.233 -6.831 -3.769 1.00 0.00 O ATOM 0 H GLY A 90 -9.877 -6.379 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.893 -8.636 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.274 -8.125 -1.466 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.356 -8.799 -4.417 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.110 -8.850 -5.663 1.00 0.00 C ATOM 1373 C GLU A 91 -13.570 -9.207 -5.401 1.00 0.00 C ATOM 1374 O GLU A 91 -14.358 -9.366 -6.334 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.488 -9.869 -6.620 1.00 0.00 C ATOM 1376 CG GLU A 91 -11.839 -9.627 -8.079 1.00 0.00 C ATOM 1377 CD GLU A 91 -13.119 -10.327 -8.494 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -13.213 -11.556 -8.301 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -14.026 -9.643 -9.013 1.00 0.00 O ATOM 0 H GLU A 91 -10.739 -9.597 -4.264 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.072 -7.862 -6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.404 -9.846 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.817 -10.869 -6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.943 -8.556 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.019 -9.973 -8.708 1.00 0.00 H new ATOM 1386 N ASP A 92 -13.922 -9.332 -4.127 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.287 -9.670 -3.741 1.00 0.00 C ATOM 1388 C ASP A 92 -15.903 -8.561 -2.893 1.00 0.00 C ATOM 1389 O ASP A 92 -17.108 -8.556 -2.640 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.311 -10.991 -2.969 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.701 -11.589 -2.886 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.323 -11.795 -3.949 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -17.169 -11.849 -1.757 1.00 0.00 O ATOM 0 H ASP A 92 -13.281 -9.204 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 92 -15.878 -9.779 -4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.641 -11.703 -3.452 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.929 -10.826 -1.962 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.067 -7.624 -2.457 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.528 -6.510 -1.636 1.00 0.00 C ATOM 1400 C VAL A 93 -16.596 -5.699 -2.363 1.00 0.00 C ATOM 1401 O VAL A 93 -16.548 -5.540 -3.582 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.365 -5.577 -1.252 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -14.848 -4.480 -0.316 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.233 -6.371 -0.617 1.00 0.00 C ATOM 0 H VAL A 93 -14.067 -7.614 -2.658 1.00 0.00 H new ATOM 0 HA VAL A 93 -15.954 -6.939 -0.729 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.984 -5.107 -2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -14.013 -3.830 -0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -15.623 -3.894 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -15.256 -4.928 0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -12.419 -5.696 -0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.598 -6.870 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -12.870 -7.116 -1.325 1.00 0.00 H new ATOM 1414 N SER A 94 -17.562 -5.189 -1.604 1.00 0.00 N ATOM 1415 CA SER A 94 -18.645 -4.397 -2.175 1.00 0.00 C ATOM 1416 C SER A 94 -18.115 -3.086 -2.747 1.00 0.00 C ATOM 1417 O SER A 94 -17.343 -2.381 -2.100 1.00 0.00 O ATOM 1418 CB SER A 94 -19.710 -4.111 -1.114 1.00 0.00 C ATOM 1419 OG SER A 94 -20.143 -5.308 -0.491 1.00 0.00 O ATOM 0 H SER A 94 -17.616 -5.310 -0.593 1.00 0.00 H new ATOM 0 HA SER A 94 -19.095 -4.971 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 94 -19.307 -3.432 -0.363 1.00 0.00 H new ATOM 0 HB3 SER A 94 -20.561 -3.608 -1.574 1.00 0.00 H new ATOM 0 HG SER A 94 -20.822 -5.098 0.184 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.538 -2.766 -3.967 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.097 -1.540 -4.607 1.00 0.00 C ATOM 1427 C GLY A 95 -17.882 -0.413 -3.616 1.00 0.00 C ATOM 1428 O GLY A 95 -16.963 0.389 -3.769 1.00 0.00 O ATOM 0 H GLY A 95 -19.178 -3.334 -4.523 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.168 -1.729 -5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.837 -1.233 -5.346 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.734 -0.353 -2.598 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.633 0.685 -1.579 1.00 0.00 C ATOM 1434 C LEU A 96 -17.223 0.748 -1.003 1.00 0.00 C ATOM 1435 O LEU A 96 -16.529 1.755 -1.142 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.644 0.428 -0.458 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.930 1.628 0.444 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -18.660 2.082 1.148 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.531 2.770 -0.362 1.00 0.00 C ATOM 0 H LEU A 96 -19.501 -1.010 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.856 1.643 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.582 0.097 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.278 -0.392 0.160 1.00 0.00 H new ATOM 0 HG LEU A 96 -20.652 1.324 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -18.883 2.937 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.271 1.267 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.915 2.368 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.728 3.616 0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -19.832 3.072 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -21.464 2.441 -0.819 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.806 -0.334 -0.354 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.477 -0.402 0.244 1.00 0.00 C ATOM 1453 C GLN A 97 -14.395 -0.213 -0.813 1.00 0.00 C ATOM 1454 O GLN A 97 -13.343 0.366 -0.541 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.284 -1.742 0.956 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.639 -1.701 2.434 1.00 0.00 C ATOM 1457 CD GLN A 97 -14.985 -0.542 3.160 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -13.785 -0.305 3.021 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -15.774 0.188 3.941 1.00 0.00 N ATOM 0 H GLN A 97 -17.369 -1.176 -0.229 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.391 0.404 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.897 -2.497 0.464 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.245 -2.055 0.849 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -16.721 -1.628 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.334 -2.637 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -16.763 -0.045 4.027 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.390 0.981 4.455 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.658 -0.708 -2.018 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.705 -0.594 -3.115 1.00 0.00 C ATOM 1470 C ARG A 98 -13.655 0.834 -3.649 1.00 0.00 C ATOM 1471 O ARG A 98 -12.646 1.266 -4.204 1.00 0.00 O ATOM 1472 CB ARG A 98 -14.077 -1.559 -4.244 1.00 0.00 C ATOM 1473 CG ARG A 98 -13.178 -1.444 -5.464 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.719 -0.431 -6.461 1.00 0.00 C ATOM 1475 NE ARG A 98 -15.023 -0.824 -6.987 1.00 0.00 N ATOM 1476 CZ ARG A 98 -15.184 -1.646 -8.018 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -14.125 -2.162 -8.629 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -16.403 -1.957 -8.438 1.00 0.00 N ATOM 0 H ARG A 98 -15.523 -1.192 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.718 -0.854 -2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -14.034 -2.581 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -15.108 -1.373 -4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.176 -1.150 -5.152 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.089 -2.418 -5.945 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.801 0.543 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.014 -0.321 -7.285 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.857 -0.446 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.186 -1.928 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.250 -2.793 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.220 -1.565 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.524 -2.588 -9.230 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.754 1.563 -3.477 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.836 2.943 -3.939 1.00 0.00 C ATOM 1494 C ALA A 99 -14.340 3.910 -2.869 1.00 0.00 C ATOM 1495 O ALA A 99 -14.101 5.085 -3.143 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.264 3.281 -4.339 1.00 0.00 C ATOM 0 H ALA A 99 -15.599 1.220 -3.021 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.192 3.048 -4.812 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.311 4.315 -4.682 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.584 2.617 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.922 3.154 -3.480 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.191 3.407 -1.647 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.724 4.227 -0.535 1.00 0.00 C ATOM 1504 C LYS A 100 -12.222 4.064 -0.333 1.00 0.00 C ATOM 1505 O LYS A 100 -11.513 5.031 -0.049 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.467 3.849 0.749 1.00 0.00 C ATOM 1507 CG LYS A 100 -15.936 4.235 0.737 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.153 5.622 1.320 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.185 6.684 0.233 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.568 6.926 -0.266 1.00 0.00 N ATOM 0 H LYS A 100 -14.387 2.436 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.929 5.271 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.384 2.773 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -13.980 4.332 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.312 4.206 -0.286 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.510 3.505 1.308 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -17.090 5.641 1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -15.356 5.849 2.029 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -15.771 7.614 0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.549 6.374 -0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.547 7.657 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.954 6.045 -0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.169 7.246 0.520 1.00 0.00 H new ATOM 1524 N THR A 101 -11.739 2.835 -0.482 1.00 0.00 N ATOM 1525 CA THR A 101 -10.319 2.545 -0.315 1.00 0.00 C ATOM 1526 C THR A 101 -9.461 3.549 -1.076 1.00 0.00 C ATOM 1527 O THR A 101 -8.393 3.944 -0.613 1.00 0.00 O ATOM 1528 CB THR A 101 -9.976 1.123 -0.798 1.00 0.00 C ATOM 1529 OG1 THR A 101 -10.911 0.183 -0.257 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.564 0.738 -0.382 1.00 0.00 C ATOM 0 H THR A 101 -12.310 2.023 -0.718 1.00 0.00 H new ATOM 0 HA THR A 101 -10.103 2.620 0.751 1.00 0.00 H new ATOM 0 HB THR A 101 -10.035 1.108 -1.886 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.729 0.188 -0.797 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.343 -0.270 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.852 1.439 -0.819 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.484 0.769 0.705 1.00 0.00 H new ATOM 1538 N GLY A 102 -9.936 3.958 -2.249 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.199 4.914 -3.055 1.00 0.00 C ATOM 1540 C GLY A 102 -9.303 6.328 -2.519 1.00 0.00 C ATOM 1541 O GLY A 102 -8.372 7.123 -2.655 1.00 0.00 O ATOM 0 H GLY A 102 -10.818 3.644 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.150 4.620 -3.093 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.575 4.888 -4.078 1.00 0.00 H new ATOM 1545 N THR A 103 -10.440 6.645 -1.908 1.00 0.00 N ATOM 1546 CA THR A 103 -10.664 7.973 -1.351 1.00 0.00 C ATOM 1547 C THR A 103 -9.855 8.179 -0.076 1.00 0.00 C ATOM 1548 O THR A 103 -9.459 9.300 0.246 1.00 0.00 O ATOM 1549 CB THR A 103 -12.155 8.210 -1.044 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.927 8.094 -2.244 1.00 0.00 O ATOM 1551 CG2 THR A 103 -12.369 9.585 -0.428 1.00 0.00 C ATOM 0 H THR A 103 -11.220 6.000 -1.786 1.00 0.00 H new ATOM 0 HA THR A 103 -10.338 8.690 -2.104 1.00 0.00 H new ATOM 0 HB THR A 103 -12.480 7.454 -0.329 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.874 8.244 -2.040 1.00 0.00 H new ATOM 0 HG21 THR A 103 -13.429 9.729 -0.220 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.803 9.660 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 103 -12.028 10.352 -1.123 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.613 7.091 0.647 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.849 7.152 1.887 1.00 0.00 C ATOM 1561 C ASP A 104 -7.352 7.067 1.608 1.00 0.00 C ATOM 1562 O ASP A 104 -6.537 7.032 2.531 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.270 6.021 2.827 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.684 6.195 3.346 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.217 7.321 3.248 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.257 5.207 3.849 1.00 0.00 O ATOM 0 H ASP A 104 -9.935 6.156 0.395 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.057 8.109 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.193 5.069 2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.580 5.977 3.669 1.00 0.00 H new ATOM 1571 N LYS A 105 -6.995 7.033 0.329 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.596 6.952 -0.073 1.00 0.00 C ATOM 1573 C LYS A 105 -4.874 8.268 0.197 1.00 0.00 C ATOM 1574 O LYS A 105 -3.683 8.283 0.509 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.490 6.597 -1.559 1.00 0.00 C ATOM 1576 CG LYS A 105 -4.096 6.783 -2.132 1.00 0.00 C ATOM 1577 CD LYS A 105 -4.144 7.189 -3.595 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.616 8.626 -3.760 1.00 0.00 C ATOM 1579 NZ LYS A 105 -3.528 9.603 -3.478 1.00 0.00 N ATOM 0 H LYS A 105 -7.656 7.060 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.120 6.169 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.795 5.560 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.190 7.214 -2.122 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.565 7.544 -1.560 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.533 5.856 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.154 7.077 -4.037 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.813 6.521 -4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.982 8.774 -4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.454 8.812 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.889 10.570 -3.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.195 9.480 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.738 9.442 -4.135 1.00 0.00 H new ATOM 1593 N THR A 106 -5.604 9.373 0.079 1.00 0.00 N ATOM 1594 CA THR A 106 -5.034 10.694 0.312 1.00 0.00 C ATOM 1595 C THR A 106 -4.505 10.822 1.736 1.00 0.00 C ATOM 1596 O THR A 106 -3.666 11.675 2.023 1.00 0.00 O ATOM 1597 CB THR A 106 -6.070 11.806 0.060 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.729 11.587 -1.193 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.406 13.175 0.056 1.00 0.00 C ATOM 0 H THR A 106 -6.591 9.379 -0.177 1.00 0.00 H new ATOM 0 HA THR A 106 -4.209 10.810 -0.391 1.00 0.00 H new ATOM 0 HB THR A 106 -6.803 11.778 0.866 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.387 12.297 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.158 13.943 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.930 13.351 1.021 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.654 13.212 -0.732 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.001 9.968 2.624 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.578 9.985 4.020 1.00 0.00 C ATOM 1609 C LEU A 107 -3.277 9.209 4.204 1.00 0.00 C ATOM 1610 O LEU A 107 -2.330 9.700 4.818 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.670 9.392 4.914 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.030 10.084 4.817 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -7.584 9.981 3.406 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -8.006 9.482 5.818 1.00 0.00 C ATOM 0 H LEU A 107 -5.696 9.255 2.403 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.406 11.022 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.796 8.340 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.332 9.431 5.950 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.896 11.139 5.056 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.552 10.479 3.358 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.895 10.458 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.703 8.931 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.969 9.986 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -8.133 8.420 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -7.616 9.608 6.828 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.240 7.994 3.668 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.056 7.149 3.771 1.00 0.00 C ATOM 1628 C VAL A 108 -0.865 7.783 3.062 1.00 0.00 C ATOM 1629 O VAL A 108 0.281 7.620 3.481 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.310 5.751 3.175 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.148 4.819 3.485 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.618 5.179 3.699 1.00 0.00 C ATOM 0 H VAL A 108 -4.016 7.572 3.158 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.831 7.048 4.833 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.389 5.845 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.345 3.836 3.056 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.232 5.225 3.056 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.033 4.727 4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.782 4.191 3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.570 5.098 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.441 5.837 3.420 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.143 8.508 1.984 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.095 9.171 1.215 1.00 0.00 C ATOM 1644 C LYS A 109 0.581 10.259 2.042 1.00 0.00 C ATOM 1645 O LYS A 109 1.789 10.469 1.939 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.677 9.774 -0.065 1.00 0.00 C ATOM 1647 CG LYS A 109 0.368 10.073 -1.126 1.00 0.00 C ATOM 1648 CD LYS A 109 0.969 11.457 -0.941 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.094 12.542 -1.016 1.00 0.00 C ATOM 1650 NZ LYS A 109 0.463 13.831 -1.509 1.00 0.00 N ATOM 0 H LYS A 109 -2.086 8.652 1.622 1.00 0.00 H new ATOM 0 HA LYS A 109 0.654 8.425 0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.415 9.086 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.204 10.695 0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.158 9.323 -1.082 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.085 10.001 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.476 11.509 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.724 11.632 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.898 12.218 -1.677 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.532 12.690 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.293 14.544 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.213 14.154 -0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.859 13.697 -2.461 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.207 10.948 2.861 1.00 0.00 N ATOM 1665 CA GLU A 110 0.317 12.015 3.706 1.00 0.00 C ATOM 1666 C GLU A 110 1.606 11.579 4.397 1.00 0.00 C ATOM 1667 O GLU A 110 2.529 12.375 4.575 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.722 12.425 4.752 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.121 12.600 4.185 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.164 13.588 3.035 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.354 13.442 2.096 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -3.009 14.506 3.074 1.00 0.00 O ATOM 0 H GLU A 110 -1.210 10.787 2.957 1.00 0.00 H new ATOM 0 HA GLU A 110 0.538 12.872 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.750 11.671 5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.408 13.360 5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.494 11.634 3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.790 12.939 4.976 1.00 0.00 H new ATOM 1679 N VAL A 111 1.662 10.309 4.784 1.00 0.00 N ATOM 1680 CA VAL A 111 2.837 9.765 5.454 1.00 0.00 C ATOM 1681 C VAL A 111 3.845 9.228 4.446 1.00 0.00 C ATOM 1682 O VAL A 111 5.052 9.425 4.592 1.00 0.00 O ATOM 1683 CB VAL A 111 2.454 8.639 6.432 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.701 7.960 6.981 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.592 9.183 7.561 1.00 0.00 C ATOM 0 H VAL A 111 0.907 9.637 4.645 1.00 0.00 H new ATOM 0 HA VAL A 111 3.290 10.583 6.014 1.00 0.00 H new ATOM 0 HB VAL A 111 1.873 7.893 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.410 7.167 7.670 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.275 7.533 6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.312 8.693 7.508 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.331 8.373 8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.145 9.950 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.682 9.617 7.147 1.00 0.00 H new ATOM 1695 N VAL A 112 3.343 8.545 3.421 1.00 0.00 N ATOM 1696 CA VAL A 112 4.201 7.980 2.387 1.00 0.00 C ATOM 1697 C VAL A 112 4.283 8.902 1.176 1.00 0.00 C ATOM 1698 O VAL A 112 3.382 8.923 0.337 1.00 0.00 O ATOM 1699 CB VAL A 112 3.694 6.598 1.932 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.411 6.157 0.665 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.875 5.573 3.041 1.00 0.00 C ATOM 0 H VAL A 112 2.347 8.370 3.285 1.00 0.00 H new ATOM 0 HA VAL A 112 5.193 7.870 2.824 1.00 0.00 H new ATOM 0 HB VAL A 112 2.630 6.675 1.710 1.00 0.00 H new ATOM 0 HG11 VAL A 112 4.040 5.179 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.225 6.881 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.482 6.095 0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.512 4.603 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.932 5.496 3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 112 3.311 5.885 3.920 1.00 0.00 H new ATOM 1711 N GLN A 113 5.369 9.664 1.091 1.00 0.00 N ATOM 1712 CA GLN A 113 5.568 10.590 -0.018 1.00 0.00 C ATOM 1713 C GLN A 113 6.866 10.281 -0.758 1.00 0.00 C ATOM 1714 O GLN A 113 6.972 10.503 -1.963 1.00 0.00 O ATOM 1715 CB GLN A 113 5.587 12.031 0.491 1.00 0.00 C ATOM 1716 CG GLN A 113 6.419 12.222 1.749 1.00 0.00 C ATOM 1717 CD GLN A 113 6.212 13.582 2.385 1.00 0.00 C ATOM 1718 OE1 GLN A 113 7.172 14.296 2.676 1.00 0.00 O ATOM 1719 NE2 GLN A 113 4.955 13.949 2.605 1.00 0.00 N ATOM 0 H GLN A 113 6.124 9.658 1.777 1.00 0.00 H new ATOM 0 HA GLN A 113 4.737 10.470 -0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.976 12.679 -0.294 1.00 0.00 H new ATOM 0 HB3 GLN A 113 4.564 12.351 0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 113 6.164 11.445 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.474 12.096 1.505 1.00 0.00 H new ATOM 0 HE21 GLN A 113 4.189 13.326 2.348 1.00 0.00 H new ATOM 0 HE22 GLN A 113 4.755 14.854 3.031 1.00 0.00 H new ATOM 1728 N ASN A 114 7.850 9.768 -0.026 1.00 0.00 N ATOM 1729 CA ASN A 114 9.142 9.431 -0.613 1.00 0.00 C ATOM 1730 C ASN A 114 9.010 8.257 -1.578 1.00 0.00 C ATOM 1731 O ASN A 114 9.783 8.132 -2.529 1.00 0.00 O ATOM 1732 CB ASN A 114 10.151 9.092 0.485 1.00 0.00 C ATOM 1733 CG ASN A 114 11.580 9.380 0.066 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.210 10.312 0.568 1.00 0.00 O ATOM 1735 ND2 ASN A 114 12.099 8.579 -0.858 1.00 0.00 N ATOM 0 H ASN A 114 7.777 9.577 0.973 1.00 0.00 H new ATOM 0 HA ASN A 114 9.498 10.298 -1.169 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.915 9.666 1.381 1.00 0.00 H new ATOM 0 HB3 ASN A 114 10.058 8.038 0.748 1.00 0.00 H new ATOM 0 HD21 ASN A 114 13.056 8.724 -1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.540 7.819 -1.246 1.00 0.00 H new ATOM 1742 N PHE A 115 8.026 7.400 -1.329 1.00 0.00 N ATOM 1743 CA PHE A 115 7.793 6.235 -2.175 1.00 0.00 C ATOM 1744 C PHE A 115 7.687 6.642 -3.642 1.00 0.00 C ATOM 1745 O PHE A 115 7.943 7.791 -3.998 1.00 0.00 O ATOM 1746 CB PHE A 115 6.518 5.510 -1.741 1.00 0.00 C ATOM 1747 CG PHE A 115 5.286 5.981 -2.459 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.180 7.292 -2.893 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.234 5.112 -2.700 1.00 0.00 C ATOM 1750 CE1 PHE A 115 4.048 7.729 -3.554 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.100 5.543 -3.362 1.00 0.00 C ATOM 1752 CZ PHE A 115 3.006 6.854 -3.789 1.00 0.00 C ATOM 0 H PHE A 115 7.376 7.490 -0.548 1.00 0.00 H new ATOM 0 HA PHE A 115 8.641 5.560 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.642 4.441 -1.912 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.379 5.647 -0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.992 7.981 -2.713 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.301 4.087 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.978 8.754 -3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.288 4.856 -3.546 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.120 7.193 -4.305 1.00 0.00 H new ATOM 1762 N ALA A 116 7.306 5.690 -4.487 1.00 0.00 N ATOM 1763 CA ALA A 116 7.164 5.948 -5.915 1.00 0.00 C ATOM 1764 C ALA A 116 5.708 6.215 -6.282 1.00 0.00 C ATOM 1765 O ALA A 116 5.351 7.320 -6.688 1.00 0.00 O ATOM 1766 CB ALA A 116 7.707 4.776 -6.720 1.00 0.00 C ATOM 0 H ALA A 116 7.090 4.733 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 116 7.742 6.840 -6.157 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.594 4.982 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.762 4.633 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.154 3.872 -6.465 1.00 0.00 H new ATOM 1772 N LYS A 117 4.869 5.194 -6.137 1.00 0.00 N ATOM 1773 CA LYS A 117 3.451 5.317 -6.452 1.00 0.00 C ATOM 1774 C LYS A 117 2.649 4.198 -5.797 1.00 0.00 C ATOM 1775 O LYS A 117 3.207 3.181 -5.388 1.00 0.00 O ATOM 1776 CB LYS A 117 3.240 5.292 -7.968 1.00 0.00 C ATOM 1777 CG LYS A 117 1.914 4.683 -8.387 1.00 0.00 C ATOM 1778 CD LYS A 117 1.880 4.391 -9.878 1.00 0.00 C ATOM 1779 CE LYS A 117 0.538 3.816 -10.303 1.00 0.00 C ATOM 1780 NZ LYS A 117 -0.423 4.883 -10.697 1.00 0.00 N ATOM 0 H LYS A 117 5.148 4.271 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 117 3.098 6.270 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.300 6.311 -8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.051 4.729 -8.430 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.744 3.761 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.103 5.364 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.077 5.308 -10.434 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.674 3.689 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.684 3.132 -11.139 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.117 3.233 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -1.325 4.450 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -0.583 5.521 -9.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.033 5.424 -11.495 1.00 0.00 H new ATOM 1794 N GLU A 118 1.337 4.392 -5.705 1.00 0.00 N ATOM 1795 CA GLU A 118 0.459 3.397 -5.100 1.00 0.00 C ATOM 1796 C GLU A 118 0.015 2.365 -6.132 1.00 0.00 C ATOM 1797 O GLU A 118 -0.381 2.713 -7.245 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.765 4.075 -4.480 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.583 4.882 -5.474 1.00 0.00 C ATOM 1800 CD GLU A 118 -3.042 4.993 -5.075 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -3.364 4.675 -3.911 1.00 0.00 O ATOM 1802 OE2 GLU A 118 -3.861 5.399 -5.926 1.00 0.00 O ATOM 0 H GLU A 118 0.859 5.228 -6.041 1.00 0.00 H new ATOM 0 HA GLU A 118 1.017 2.885 -4.316 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.403 3.314 -4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.437 4.732 -3.674 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.157 5.882 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -1.514 4.418 -6.458 1.00 0.00 H new ATOM 1809 N PHE A 119 0.083 1.092 -5.755 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.311 0.009 -6.648 1.00 0.00 C ATOM 1811 C PHE A 119 -1.647 -0.591 -6.219 1.00 0.00 C ATOM 1812 O PHE A 119 -1.710 -1.398 -5.292 1.00 0.00 O ATOM 1813 CB PHE A 119 0.766 -1.079 -6.668 1.00 0.00 C ATOM 1814 CG PHE A 119 1.958 -0.727 -7.511 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.418 0.578 -7.572 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.619 -1.701 -8.241 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.514 0.905 -8.347 1.00 0.00 C ATOM 1818 CE2 PHE A 119 3.717 -1.380 -9.017 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.166 -0.075 -9.070 1.00 0.00 C ATOM 0 H PHE A 119 0.407 0.786 -4.838 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.423 0.420 -7.651 1.00 0.00 H new ATOM 0 HB2 PHE A 119 1.097 -1.270 -5.647 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.328 -2.005 -7.040 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.914 1.349 -7.007 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.272 -2.723 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.861 1.927 -8.388 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.223 -2.149 -9.581 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.024 0.178 -9.675 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.714 -0.188 -6.902 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.050 -0.685 -6.594 1.00 0.00 C ATOM 1831 C VAL A 120 -4.295 -2.044 -7.240 1.00 0.00 C ATOM 1832 O VAL A 120 -4.597 -2.131 -8.430 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.138 0.299 -7.066 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.523 -0.260 -6.780 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -4.952 1.655 -6.404 1.00 0.00 C ATOM 0 H VAL A 120 -2.679 0.481 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.107 -0.786 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.042 0.431 -8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.279 0.448 -7.120 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.649 -1.206 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.635 -0.424 -5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.729 2.338 -6.749 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.020 1.544 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -3.973 2.057 -6.666 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.162 -3.102 -6.447 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.370 -4.457 -6.942 1.00 0.00 C ATOM 1847 C ILE A 121 -5.621 -5.080 -6.333 1.00 0.00 C ATOM 1848 O ILE A 121 -5.934 -4.852 -5.164 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.160 -5.360 -6.637 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.865 -4.689 -7.100 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.328 -6.716 -7.305 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.616 -5.353 -6.565 1.00 0.00 C ATOM 0 H ILE A 121 -3.911 -3.047 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.494 -4.382 -8.022 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.103 -5.513 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.832 -4.695 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -1.874 -3.645 -6.787 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.465 -7.342 -7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.232 -7.196 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.408 -6.583 -8.384 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.263 -4.825 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.627 -5.324 -5.475 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.583 -6.390 -6.900 1.00 0.00 H new ATOM 1864 N SER A 122 -6.334 -5.868 -7.132 1.00 0.00 N ATOM 1865 CA SER A 122 -7.553 -6.522 -6.671 1.00 0.00 C ATOM 1866 C SER A 122 -7.400 -8.039 -6.705 1.00 0.00 C ATOM 1867 O SER A 122 -8.170 -8.766 -6.074 1.00 0.00 O ATOM 1868 CB SER A 122 -8.742 -6.098 -7.536 1.00 0.00 C ATOM 1869 OG SER A 122 -8.594 -4.763 -7.989 1.00 0.00 O ATOM 0 H SER A 122 -6.088 -6.069 -8.101 1.00 0.00 H new ATOM 0 HA SER A 122 -7.735 -6.215 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.830 -6.768 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.664 -6.190 -6.962 1.00 0.00 H new ATOM 0 HG SER A 122 -9.366 -4.517 -8.541 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.403 -8.512 -7.444 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.148 -9.943 -7.560 1.00 0.00 C ATOM 1877 C ASP A 123 -4.772 -10.296 -7.004 1.00 0.00 C ATOM 1878 O ASP A 123 -3.763 -9.709 -7.396 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.249 -10.384 -9.021 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.716 -11.820 -9.161 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -7.624 -12.225 -8.403 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -6.177 -12.537 -10.027 1.00 0.00 O ATOM 0 H ASP A 123 -5.758 -7.925 -7.972 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.903 -10.470 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.940 -9.727 -9.549 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.276 -10.273 -9.499 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.739 -11.257 -6.086 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.487 -11.687 -5.474 1.00 0.00 C ATOM 1889 C ARG A 124 -2.449 -12.024 -6.539 1.00 0.00 C ATOM 1890 O ARG A 124 -1.260 -11.750 -6.371 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.725 -12.903 -4.577 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.531 -12.588 -3.327 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.295 -13.622 -2.237 1.00 0.00 C ATOM 1894 NE ARG A 124 -5.214 -14.751 -2.345 1.00 0.00 N ATOM 1895 CZ ARG A 124 -4.949 -15.963 -1.869 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -3.797 -16.201 -1.256 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -5.836 -16.940 -2.006 1.00 0.00 N ATOM 0 H ARG A 124 -5.565 -11.752 -5.750 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.107 -10.865 -4.868 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.244 -13.671 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.762 -13.321 -4.283 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.259 -11.599 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.592 -12.555 -3.575 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.268 -13.983 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.411 -13.152 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 124 -6.109 -14.601 -2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -3.112 -15.453 -1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.596 -17.132 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.723 -16.761 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.631 -17.870 -1.640 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.905 -12.618 -7.637 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.016 -12.992 -8.731 1.00 0.00 C ATOM 1913 C LYS A 125 -1.189 -11.797 -9.192 1.00 0.00 C ATOM 1914 O LYS A 125 -0.193 -11.956 -9.898 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.825 -13.549 -9.904 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.021 -15.055 -9.848 1.00 0.00 C ATOM 1917 CD LYS A 125 -3.758 -15.474 -8.588 1.00 0.00 C ATOM 1918 CE LYS A 125 -5.245 -15.165 -8.682 1.00 0.00 C ATOM 1919 NZ LYS A 125 -6.005 -15.742 -7.538 1.00 0.00 N ATOM 0 H LYS A 125 -3.886 -12.851 -7.793 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.337 -13.763 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.801 -13.065 -9.924 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.322 -13.291 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.581 -15.383 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.051 -15.551 -9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.617 -16.542 -8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.332 -14.958 -7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -5.391 -14.085 -8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.640 -15.562 -9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -7.014 -15.510 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -5.887 -16.775 -7.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -5.646 -15.345 -6.647 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.607 -10.601 -8.788 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.904 -9.379 -9.161 1.00 0.00 C ATOM 1935 C GLU A 126 -0.042 -8.875 -8.007 1.00 0.00 C ATOM 1936 O GLU A 126 0.875 -8.077 -8.206 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.900 -8.297 -9.579 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.370 -8.426 -11.018 1.00 0.00 C ATOM 1939 CD GLU A 126 -1.597 -7.529 -11.966 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -1.960 -6.340 -12.087 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -0.630 -8.016 -12.588 1.00 0.00 O ATOM 0 H GLU A 126 -2.429 -10.453 -8.202 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.254 -9.608 -10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.766 -8.337 -8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.439 -7.319 -9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -2.266 -9.463 -11.339 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.430 -8.180 -11.074 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.344 -9.345 -6.801 1.00 0.00 N ATOM 1949 CA LEU A 127 0.403 -8.942 -5.615 1.00 0.00 C ATOM 1950 C LEU A 127 1.826 -9.485 -5.657 1.00 0.00 C ATOM 1951 O LEU A 127 2.680 -9.077 -4.869 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.308 -9.432 -4.350 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.424 -8.521 -3.842 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.844 -7.318 -3.114 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.312 -8.071 -4.993 1.00 0.00 C ATOM 0 H LEU A 127 -1.100 -10.005 -6.619 1.00 0.00 H new ATOM 0 HA LEU A 127 0.452 -7.853 -5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.726 -10.419 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.432 -9.551 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.034 -9.087 -3.138 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.655 -6.681 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.252 -7.658 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.209 -6.752 -3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.101 -7.423 -4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.714 -7.524 -5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.758 -8.943 -5.471 1.00 0.00 H new ATOM 1967 N GLU A 128 2.075 -10.409 -6.580 1.00 0.00 N ATOM 1968 CA GLU A 128 3.395 -11.010 -6.722 1.00 0.00 C ATOM 1969 C GLU A 128 4.470 -9.936 -6.851 1.00 0.00 C ATOM 1970 O GLU A 128 4.605 -9.300 -7.896 1.00 0.00 O ATOM 1971 CB GLU A 128 3.431 -11.932 -7.943 1.00 0.00 C ATOM 1972 CG GLU A 128 2.258 -12.894 -8.014 1.00 0.00 C ATOM 1973 CD GLU A 128 2.612 -14.196 -8.706 1.00 0.00 C ATOM 1974 OE1 GLU A 128 2.535 -14.245 -9.951 1.00 0.00 O ATOM 1975 OE2 GLU A 128 2.964 -15.166 -8.003 1.00 0.00 O ATOM 0 H GLU A 128 1.380 -10.757 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 128 3.597 -11.597 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.446 -11.323 -8.847 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.359 -12.504 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.906 -13.107 -7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.434 -12.417 -8.545 1.00 0.00 H new ATOM 1982 N GLU A 129 5.233 -9.738 -5.780 1.00 0.00 N ATOM 1983 CA GLU A 129 6.295 -8.739 -5.772 1.00 0.00 C ATOM 1984 C GLU A 129 6.994 -8.679 -7.128 1.00 0.00 C ATOM 1985 O GLU A 129 7.372 -7.605 -7.596 1.00 0.00 O ATOM 1986 CB GLU A 129 7.314 -9.053 -4.675 1.00 0.00 C ATOM 1987 CG GLU A 129 8.440 -9.965 -5.133 1.00 0.00 C ATOM 1988 CD GLU A 129 9.359 -10.371 -3.997 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.398 -9.649 -2.979 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.040 -11.409 -4.127 1.00 0.00 O ATOM 0 H GLU A 129 5.135 -10.256 -4.907 1.00 0.00 H new ATOM 0 HA GLU A 129 5.844 -7.768 -5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 129 7.740 -8.119 -4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 129 6.799 -9.519 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.016 -10.859 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.022 -9.459 -5.903 1.00 0.00 H new ATOM 1997 N ASP A 130 7.163 -9.839 -7.752 1.00 0.00 N ATOM 1998 CA ASP A 130 7.816 -9.920 -9.054 1.00 0.00 C ATOM 1999 C ASP A 130 7.159 -8.970 -10.051 1.00 0.00 C ATOM 2000 O ASP A 130 7.840 -8.231 -10.762 1.00 0.00 O ATOM 2001 CB ASP A 130 7.764 -11.352 -9.586 1.00 0.00 C ATOM 2002 CG ASP A 130 8.963 -11.692 -10.449 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.313 -10.875 -11.328 1.00 0.00 O ATOM 2004 OD2 ASP A 130 9.553 -12.774 -10.247 1.00 0.00 O ATOM 0 H ASP A 130 6.857 -10.737 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 130 8.858 -9.625 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 130 7.715 -12.047 -8.747 1.00 0.00 H new ATOM 0 HB3 ASP A 130 6.852 -11.488 -10.167 1.00 0.00 H new ATOM 2009 N PHE A 131 5.831 -8.995 -10.098 1.00 0.00 N ATOM 2010 CA PHE A 131 5.082 -8.137 -11.009 1.00 0.00 C ATOM 2011 C PHE A 131 5.253 -6.668 -10.637 1.00 0.00 C ATOM 2012 O PHE A 131 5.290 -5.796 -11.508 1.00 0.00 O ATOM 2013 CB PHE A 131 3.598 -8.511 -10.990 1.00 0.00 C ATOM 2014 CG PHE A 131 2.729 -7.549 -11.749 1.00 0.00 C ATOM 2015 CD1 PHE A 131 2.948 -7.311 -13.096 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.692 -6.883 -11.114 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.150 -6.426 -13.796 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.891 -5.997 -11.810 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.119 -5.769 -13.153 1.00 0.00 C ATOM 0 H PHE A 131 5.251 -9.600 -9.516 1.00 0.00 H new ATOM 0 HA PHE A 131 5.475 -8.286 -12.015 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.477 -9.509 -11.412 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.257 -8.559 -9.956 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.751 -7.823 -13.605 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.508 -7.058 -10.064 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.332 -6.248 -14.846 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.087 -5.483 -11.304 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.493 -5.079 -13.699 1.00 0.00 H new ATOM 2029 N ILE A 132 5.358 -6.399 -9.340 1.00 0.00 N ATOM 2030 CA ILE A 132 5.526 -5.036 -8.853 1.00 0.00 C ATOM 2031 C ILE A 132 6.812 -4.416 -9.388 1.00 0.00 C ATOM 2032 O ILE A 132 6.805 -3.303 -9.914 1.00 0.00 O ATOM 2033 CB ILE A 132 5.546 -4.986 -7.314 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.386 -5.802 -6.740 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.480 -3.547 -6.829 1.00 0.00 C ATOM 2036 CD1 ILE A 132 3.034 -5.395 -7.283 1.00 0.00 C ATOM 0 H ILE A 132 5.330 -7.108 -8.607 1.00 0.00 H new ATOM 0 HA ILE A 132 4.672 -4.464 -9.215 1.00 0.00 H new ATOM 0 HB ILE A 132 6.481 -5.423 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.553 -6.857 -6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.380 -5.696 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.495 -3.529 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.337 -2.994 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.560 -3.084 -7.187 1.00 0.00 H new ATOM 0 HD11 ILE A 132 2.259 -6.015 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.846 -4.348 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 132 3.021 -5.528 -8.365 1.00 0.00 H new ATOM 2048 N ARG A 133 7.915 -5.145 -9.252 1.00 0.00 N ATOM 2049 CA ARG A 133 9.210 -4.667 -9.722 1.00 0.00 C ATOM 2050 C ARG A 133 9.126 -4.211 -11.176 1.00 0.00 C ATOM 2051 O ARG A 133 9.424 -3.060 -11.494 1.00 0.00 O ATOM 2052 CB ARG A 133 10.265 -5.766 -9.580 1.00 0.00 C ATOM 2053 CG ARG A 133 11.010 -5.728 -8.257 1.00 0.00 C ATOM 2054 CD ARG A 133 10.317 -6.577 -7.203 1.00 0.00 C ATOM 2055 NE ARG A 133 10.738 -7.974 -7.262 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.817 -8.444 -6.647 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.581 -7.632 -5.929 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.135 -9.728 -6.750 1.00 0.00 N ATOM 0 H ARG A 133 7.938 -6.069 -8.820 1.00 0.00 H new ATOM 0 HA ARG A 133 9.499 -3.814 -9.108 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.782 -6.737 -9.687 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.984 -5.675 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 133 12.029 -6.086 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 133 11.081 -4.698 -7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 133 10.534 -6.175 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.238 -6.518 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 133 10.172 -8.625 -7.806 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.340 -6.644 -5.848 1.00 0.00 H new ATOM 0 HH12 ARG A 133 13.409 -7.995 -5.458 1.00 0.00 H new ATOM 0 HH21 ARG A 133 11.550 -10.355 -7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 133 12.964 -10.088 -6.277 1.00 0.00 H new ATOM 2072 N SER A 134 8.718 -5.122 -12.054 1.00 0.00 N ATOM 2073 CA SER A 134 8.599 -4.816 -13.474 1.00 0.00 C ATOM 2074 C SER A 134 8.022 -3.419 -13.682 1.00 0.00 C ATOM 2075 O SER A 134 8.450 -2.686 -14.572 1.00 0.00 O ATOM 2076 CB SER A 134 7.715 -5.854 -14.169 1.00 0.00 C ATOM 2077 OG SER A 134 8.408 -7.077 -14.344 1.00 0.00 O ATOM 0 H SER A 134 8.464 -6.078 -11.806 1.00 0.00 H new ATOM 0 HA SER A 134 9.597 -4.847 -13.912 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.815 -6.024 -13.579 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.393 -5.472 -15.138 1.00 0.00 H new ATOM 0 HG SER A 134 7.822 -7.724 -14.788 1.00 0.00 H new ATOM 2083 N GLU A 135 7.046 -3.059 -12.853 1.00 0.00 N ATOM 2084 CA GLU A 135 6.409 -1.750 -12.946 1.00 0.00 C ATOM 2085 C GLU A 135 7.393 -0.640 -12.588 1.00 0.00 C ATOM 2086 O GLU A 135 7.630 0.273 -13.378 1.00 0.00 O ATOM 2087 CB GLU A 135 5.191 -1.685 -12.024 1.00 0.00 C ATOM 2088 CG GLU A 135 4.064 -2.617 -12.438 1.00 0.00 C ATOM 2089 CD GLU A 135 3.313 -2.118 -13.657 1.00 0.00 C ATOM 2090 OE1 GLU A 135 2.805 -0.977 -13.617 1.00 0.00 O ATOM 2091 OE2 GLU A 135 3.234 -2.868 -14.652 1.00 0.00 O ATOM 0 H GLU A 135 6.680 -3.655 -12.110 1.00 0.00 H new ATOM 0 HA GLU A 135 6.083 -1.604 -13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.501 -1.932 -11.009 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.816 -0.662 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.473 -3.605 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.367 -2.730 -11.607 1.00 0.00 H new