USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 583 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0317 (180deg=-0.326) USER MOD Single : A 23 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-5.1!) USER MOD Single : A 33 THR OG1 : rot 136:sc= -0.0862 USER MOD Single : A 36 GLN : amide:sc= -4.25! K(o=-4.2!,f=-2.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -170:sc= -0.327 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= 0.148 K(o=0.15,f=-7.5!) USER MOD Single : A 66 ASN : amide:sc= 0.933 K(o=0.93,f=-0.17) USER MOD Single : A 67 MET CE :methyl -118:sc= -0.549 (180deg=-4.59!) USER MOD Single : A 68 ASN : amide:sc= -2.86! C(o=-2.9!,f=-3.8!) USER MOD Single : A 70 SER OG : rot 52:sc= -0.944 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.7 X(o=-1.7,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 143 N ARG A 6 -18.756 0.298 4.016 1.00 0.00 N ATOM 144 CA ARG A 6 -18.268 0.321 2.642 1.00 0.00 C ATOM 145 C ARG A 6 -16.745 0.402 2.607 1.00 0.00 C ATOM 146 O ARG A 6 -16.089 -0.346 1.881 1.00 0.00 O ATOM 147 CB ARG A 6 -18.870 1.505 1.884 1.00 0.00 C ATOM 148 CG ARG A 6 -20.342 1.330 1.550 1.00 0.00 C ATOM 149 CD ARG A 6 -20.943 2.609 0.988 1.00 0.00 C ATOM 150 NE ARG A 6 -21.380 3.518 2.044 1.00 0.00 N ATOM 151 CZ ARG A 6 -22.028 4.654 1.813 1.00 0.00 C ATOM 152 NH1 ARG A 6 -22.313 5.019 0.571 1.00 0.00 N ATOM 153 NH2 ARG A 6 -22.394 5.428 2.827 1.00 0.00 N ATOM 0 HA ARG A 6 -18.576 -0.606 2.158 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -18.747 2.408 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -18.312 1.655 0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -20.458 0.524 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.887 1.034 2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -20.206 3.110 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -21.791 2.361 0.349 1.00 0.00 H new ATOM 0 HE ARG A 6 -21.177 3.267 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -22.035 4.427 -0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.811 5.892 0.398 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.178 5.151 3.784 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -22.892 6.300 2.649 1.00 0.00 H new ATOM 167 N VAL A 7 -16.188 1.315 3.395 1.00 0.00 N ATOM 168 CA VAL A 7 -14.742 1.494 3.455 1.00 0.00 C ATOM 169 C VAL A 7 -14.091 0.422 4.322 1.00 0.00 C ATOM 170 O VAL A 7 -14.401 0.293 5.507 1.00 0.00 O ATOM 171 CB VAL A 7 -14.371 2.882 4.010 1.00 0.00 C ATOM 172 CG1 VAL A 7 -12.860 3.052 4.057 1.00 0.00 C ATOM 173 CG2 VAL A 7 -15.013 3.979 3.173 1.00 0.00 C ATOM 0 H VAL A 7 -16.716 1.943 4.001 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.370 1.407 2.434 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.753 2.961 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.617 4.039 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.428 2.287 4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -12.451 2.953 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -14.740 4.953 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.662 3.904 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -16.097 3.867 3.196 1.00 0.00 H new ATOM 183 N LEU A 8 -13.186 -0.345 3.724 1.00 0.00 N ATOM 184 CA LEU A 8 -12.489 -1.407 4.442 1.00 0.00 C ATOM 185 C LEU A 8 -11.052 -1.002 4.753 1.00 0.00 C ATOM 186 O LEU A 8 -10.360 -0.434 3.907 1.00 0.00 O ATOM 187 CB LEU A 8 -12.502 -2.697 3.620 1.00 0.00 C ATOM 188 CG LEU A 8 -13.862 -3.135 3.077 1.00 0.00 C ATOM 189 CD1 LEU A 8 -13.730 -4.422 2.278 1.00 0.00 C ATOM 190 CD2 LEU A 8 -14.859 -3.311 4.214 1.00 0.00 C ATOM 0 H LEU A 8 -12.918 -0.252 2.744 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.010 -1.578 5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.820 -2.574 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.104 -3.502 4.238 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.233 -2.356 2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -14.709 -4.718 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -13.051 -4.262 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -13.336 -5.210 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -15.822 -3.623 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.493 -4.070 4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.977 -2.366 4.744 1.00 0.00 H new ATOM 202 N TYR A 9 -10.609 -1.299 5.969 1.00 0.00 N ATOM 203 CA TYR A 9 -9.254 -0.966 6.392 1.00 0.00 C ATOM 204 C TYR A 9 -8.325 -2.167 6.241 1.00 0.00 C ATOM 205 O TYR A 9 -8.574 -3.234 6.803 1.00 0.00 O ATOM 206 CB TYR A 9 -9.254 -0.487 7.844 1.00 0.00 C ATOM 207 CG TYR A 9 -7.918 -0.648 8.535 1.00 0.00 C ATOM 208 CD1 TYR A 9 -7.526 -1.875 9.054 1.00 0.00 C ATOM 209 CD2 TYR A 9 -7.049 0.428 8.667 1.00 0.00 C ATOM 210 CE1 TYR A 9 -6.307 -2.027 9.687 1.00 0.00 C ATOM 211 CE2 TYR A 9 -5.827 0.285 9.297 1.00 0.00 C ATOM 212 CZ TYR A 9 -5.461 -0.944 9.805 1.00 0.00 C ATOM 213 OH TYR A 9 -4.246 -1.091 10.433 1.00 0.00 O ATOM 0 H TYR A 9 -11.169 -1.770 6.680 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.888 -0.164 5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.543 0.564 7.871 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.010 -1.041 8.400 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.185 -2.725 8.961 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.333 1.392 8.271 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.019 -2.988 10.087 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.162 1.131 9.391 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.771 -0.234 10.431 1.00 0.00 H new ATOM 223 N VAL A 10 -7.253 -1.986 5.477 1.00 0.00 N ATOM 224 CA VAL A 10 -6.285 -3.052 5.253 1.00 0.00 C ATOM 225 C VAL A 10 -4.949 -2.731 5.915 1.00 0.00 C ATOM 226 O VAL A 10 -4.406 -1.641 5.743 1.00 0.00 O ATOM 227 CB VAL A 10 -6.054 -3.294 3.749 1.00 0.00 C ATOM 228 CG1 VAL A 10 -5.009 -4.378 3.536 1.00 0.00 C ATOM 229 CG2 VAL A 10 -7.362 -3.661 3.063 1.00 0.00 C ATOM 0 H VAL A 10 -7.033 -1.110 5.002 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.701 -3.955 5.700 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.681 -2.372 3.303 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.860 -4.535 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.068 -4.071 3.993 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -5.349 -5.306 3.995 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.181 -3.829 2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.765 -4.570 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.078 -2.848 3.185 1.00 0.00 H new ATOM 239 N GLY A 11 -4.425 -3.689 6.673 1.00 0.00 N ATOM 240 CA GLY A 11 -3.157 -3.489 7.350 1.00 0.00 C ATOM 241 C GLY A 11 -2.173 -4.610 7.080 1.00 0.00 C ATOM 242 O GLY A 11 -2.512 -5.602 6.436 1.00 0.00 O ATOM 0 H GLY A 11 -4.856 -4.600 6.830 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.722 -2.543 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.330 -3.412 8.423 1.00 0.00 H new ATOM 246 N GLY A 12 -0.948 -4.451 7.572 1.00 0.00 N ATOM 247 CA GLY A 12 0.071 -5.465 7.368 1.00 0.00 C ATOM 248 C GLY A 12 0.415 -5.655 5.904 1.00 0.00 C ATOM 249 O GLY A 12 0.817 -6.742 5.490 1.00 0.00 O ATOM 0 H GLY A 12 -0.643 -3.639 8.108 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.971 -5.187 7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.275 -6.412 7.783 1.00 0.00 H new ATOM 253 N LEU A 13 0.255 -4.596 5.118 1.00 0.00 N ATOM 254 CA LEU A 13 0.550 -4.651 3.691 1.00 0.00 C ATOM 255 C LEU A 13 2.046 -4.826 3.450 1.00 0.00 C ATOM 256 O LEU A 13 2.843 -4.794 4.387 1.00 0.00 O ATOM 257 CB LEU A 13 0.056 -3.379 2.998 1.00 0.00 C ATOM 258 CG LEU A 13 -1.455 -3.273 2.790 1.00 0.00 C ATOM 259 CD1 LEU A 13 -1.828 -1.886 2.289 1.00 0.00 C ATOM 260 CD2 LEU A 13 -1.937 -4.340 1.818 1.00 0.00 C ATOM 0 H LEU A 13 -0.077 -3.689 5.445 1.00 0.00 H new ATOM 0 HA LEU A 13 0.030 -5.512 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.383 -2.520 3.583 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.543 -3.306 2.025 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.946 -3.436 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.907 -1.829 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.518 -1.140 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.326 -1.695 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.015 -4.249 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.438 -4.209 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.704 -5.327 2.217 1.00 0.00 H new ATOM 272 N ALA A 14 2.419 -5.009 2.188 1.00 0.00 N ATOM 273 CA ALA A 14 3.820 -5.185 1.824 1.00 0.00 C ATOM 274 C ALA A 14 4.468 -3.850 1.474 1.00 0.00 C ATOM 275 O ALA A 14 3.833 -2.799 1.565 1.00 0.00 O ATOM 276 CB ALA A 14 3.944 -6.156 0.659 1.00 0.00 C ATOM 0 H ALA A 14 1.771 -5.039 1.401 1.00 0.00 H new ATOM 0 HA ALA A 14 4.345 -5.599 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.995 -6.278 0.398 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.526 -7.122 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.399 -5.765 -0.200 1.00 0.00 H new ATOM 282 N GLU A 15 5.735 -3.898 1.074 1.00 0.00 N ATOM 283 CA GLU A 15 6.468 -2.691 0.712 1.00 0.00 C ATOM 284 C GLU A 15 6.200 -2.307 -0.740 1.00 0.00 C ATOM 285 O GLU A 15 6.467 -1.179 -1.153 1.00 0.00 O ATOM 286 CB GLU A 15 7.969 -2.895 0.929 1.00 0.00 C ATOM 287 CG GLU A 15 8.599 -3.866 -0.055 1.00 0.00 C ATOM 288 CD GLU A 15 10.097 -3.670 -0.189 1.00 0.00 C ATOM 289 OE1 GLU A 15 10.520 -2.551 -0.547 1.00 0.00 O ATOM 290 OE2 GLU A 15 10.846 -4.636 0.064 1.00 0.00 O ATOM 0 H GLU A 15 6.275 -4.760 0.993 1.00 0.00 H new ATOM 0 HA GLU A 15 6.123 -1.880 1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.473 -1.932 0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.135 -3.259 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.397 -4.887 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.131 -3.743 -1.032 1.00 0.00 H new ATOM 297 N GLU A 16 5.672 -3.254 -1.509 1.00 0.00 N ATOM 298 CA GLU A 16 5.370 -3.014 -2.915 1.00 0.00 C ATOM 299 C GLU A 16 3.863 -3.029 -3.158 1.00 0.00 C ATOM 300 O GLU A 16 3.400 -3.412 -4.233 1.00 0.00 O ATOM 301 CB GLU A 16 6.049 -4.068 -3.792 1.00 0.00 C ATOM 302 CG GLU A 16 7.456 -3.688 -4.222 1.00 0.00 C ATOM 303 CD GLU A 16 7.472 -2.832 -5.474 1.00 0.00 C ATOM 304 OE1 GLU A 16 7.025 -1.668 -5.402 1.00 0.00 O ATOM 305 OE2 GLU A 16 7.931 -3.326 -6.525 1.00 0.00 O ATOM 0 H GLU A 16 5.445 -4.193 -1.183 1.00 0.00 H new ATOM 0 HA GLU A 16 5.754 -2.029 -3.180 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.087 -5.012 -3.248 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.440 -4.237 -4.680 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.947 -3.149 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.035 -4.594 -4.399 1.00 0.00 H new ATOM 312 N VAL A 17 3.103 -2.610 -2.151 1.00 0.00 N ATOM 313 CA VAL A 17 1.649 -2.574 -2.254 1.00 0.00 C ATOM 314 C VAL A 17 1.118 -1.160 -2.046 1.00 0.00 C ATOM 315 O VAL A 17 1.507 -0.474 -1.100 1.00 0.00 O ATOM 316 CB VAL A 17 0.991 -3.515 -1.227 1.00 0.00 C ATOM 317 CG1 VAL A 17 -0.525 -3.439 -1.329 1.00 0.00 C ATOM 318 CG2 VAL A 17 1.475 -4.943 -1.425 1.00 0.00 C ATOM 0 H VAL A 17 3.470 -2.291 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 17 1.394 -2.910 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 17 1.282 -3.193 -0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.973 -4.110 -0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.852 -2.418 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.838 -3.735 -2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.000 -5.593 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.216 -5.279 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.557 -4.982 -1.297 1.00 0.00 H new ATOM 328 N ASP A 18 0.229 -0.732 -2.934 1.00 0.00 N ATOM 329 CA ASP A 18 -0.358 0.601 -2.847 1.00 0.00 C ATOM 330 C ASP A 18 -1.779 0.606 -3.402 1.00 0.00 C ATOM 331 O ASP A 18 -2.301 -0.432 -3.808 1.00 0.00 O ATOM 332 CB ASP A 18 0.504 1.611 -3.607 1.00 0.00 C ATOM 333 CG ASP A 18 1.922 1.678 -3.075 1.00 0.00 C ATOM 334 OD1 ASP A 18 2.110 2.183 -1.949 1.00 0.00 O ATOM 335 OD2 ASP A 18 2.843 1.224 -3.785 1.00 0.00 O ATOM 0 H ASP A 18 -0.102 -1.288 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.397 0.887 -1.796 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.528 1.342 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.047 2.598 -3.539 1.00 0.00 H new ATOM 340 N ASP A 19 -2.398 1.781 -3.416 1.00 0.00 N ATOM 341 CA ASP A 19 -3.759 1.922 -3.921 1.00 0.00 C ATOM 342 C ASP A 19 -3.952 1.108 -5.197 1.00 0.00 C ATOM 343 O ASP A 19 -5.019 0.539 -5.427 1.00 0.00 O ATOM 344 CB ASP A 19 -4.077 3.394 -4.187 1.00 0.00 C ATOM 345 CG ASP A 19 -3.118 4.024 -5.178 1.00 0.00 C ATOM 346 OD1 ASP A 19 -1.939 4.227 -4.817 1.00 0.00 O ATOM 347 OD2 ASP A 19 -3.545 4.312 -6.315 1.00 0.00 O ATOM 0 H ASP A 19 -1.979 2.650 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.443 1.542 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.095 3.480 -4.566 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.039 3.946 -3.248 1.00 0.00 H new ATOM 352 N LYS A 20 -2.913 1.058 -6.023 1.00 0.00 N ATOM 353 CA LYS A 20 -2.967 0.314 -7.276 1.00 0.00 C ATOM 354 C LYS A 20 -3.051 -1.186 -7.015 1.00 0.00 C ATOM 355 O LYS A 20 -4.034 -1.835 -7.374 1.00 0.00 O ATOM 356 CB LYS A 20 -1.737 0.626 -8.131 1.00 0.00 C ATOM 357 CG LYS A 20 -1.717 2.043 -8.676 1.00 0.00 C ATOM 358 CD LYS A 20 -1.068 3.008 -7.697 1.00 0.00 C ATOM 359 CE LYS A 20 -0.835 4.371 -8.329 1.00 0.00 C ATOM 360 NZ LYS A 20 0.163 4.308 -9.432 1.00 0.00 N ATOM 0 H LYS A 20 -2.023 1.524 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.864 0.622 -7.814 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.840 0.463 -7.534 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.697 -0.075 -8.965 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.175 2.063 -9.621 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.736 2.367 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.703 3.117 -6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.118 2.597 -7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.778 4.758 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.491 5.070 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.521 5.264 -9.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.953 3.694 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.288 3.922 -10.286 1.00 0.00 H new ATOM 374 N VAL A 21 -2.015 -1.732 -6.386 1.00 0.00 N ATOM 375 CA VAL A 21 -1.974 -3.156 -6.074 1.00 0.00 C ATOM 376 C VAL A 21 -3.261 -3.607 -5.394 1.00 0.00 C ATOM 377 O VAL A 21 -3.826 -4.646 -5.737 1.00 0.00 O ATOM 378 CB VAL A 21 -0.778 -3.496 -5.165 1.00 0.00 C ATOM 379 CG1 VAL A 21 -0.775 -4.978 -4.819 1.00 0.00 C ATOM 380 CG2 VAL A 21 0.529 -3.093 -5.830 1.00 0.00 C ATOM 0 H VAL A 21 -1.193 -1.210 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.863 -3.685 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.876 -2.931 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.077 -5.200 -4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.698 -5.232 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.701 -5.565 -5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.363 -3.341 -5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.638 -3.629 -6.773 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.524 -2.020 -6.021 1.00 0.00 H new ATOM 390 N LEU A 22 -3.720 -2.820 -4.427 1.00 0.00 N ATOM 391 CA LEU A 22 -4.942 -3.138 -3.697 1.00 0.00 C ATOM 392 C LEU A 22 -6.164 -3.012 -4.601 1.00 0.00 C ATOM 393 O LEU A 22 -7.072 -3.843 -4.554 1.00 0.00 O ATOM 394 CB LEU A 22 -5.092 -2.214 -2.487 1.00 0.00 C ATOM 395 CG LEU A 22 -4.247 -2.570 -1.263 1.00 0.00 C ATOM 396 CD1 LEU A 22 -4.269 -1.435 -0.251 1.00 0.00 C ATOM 397 CD2 LEU A 22 -4.743 -3.862 -0.629 1.00 0.00 C ATOM 0 H LEU A 22 -3.264 -1.957 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.872 -4.170 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.839 -1.200 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.141 -2.205 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.217 -2.720 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.662 -1.706 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.865 -0.532 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.295 -1.252 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.130 -4.099 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.781 -3.740 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.674 -4.673 -1.354 1.00 0.00 H new ATOM 409 N HIS A 23 -6.180 -1.969 -5.425 1.00 0.00 N ATOM 410 CA HIS A 23 -7.290 -1.736 -6.343 1.00 0.00 C ATOM 411 C HIS A 23 -7.588 -2.988 -7.163 1.00 0.00 C ATOM 412 O HIS A 23 -8.704 -3.505 -7.141 1.00 0.00 O ATOM 413 CB HIS A 23 -6.972 -0.566 -7.274 1.00 0.00 C ATOM 414 CG HIS A 23 -7.833 -0.524 -8.499 1.00 0.00 C ATOM 415 ND1 HIS A 23 -7.722 -1.436 -9.527 1.00 0.00 N ATOM 416 CD2 HIS A 23 -8.824 0.326 -8.856 1.00 0.00 C ATOM 417 CE1 HIS A 23 -8.607 -1.148 -10.465 1.00 0.00 C ATOM 418 NE2 HIS A 23 -9.288 -0.083 -10.082 1.00 0.00 N ATOM 0 H HIS A 23 -5.437 -1.272 -5.476 1.00 0.00 H new ATOM 0 HA HIS A 23 -8.173 -1.491 -5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.091 0.368 -6.724 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.927 -0.627 -7.577 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -9.183 1.169 -8.284 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.749 -1.691 -11.388 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -10.037 0.363 -10.611 1.00 0.00 H new ATOM 426 N ALA A 24 -6.582 -3.468 -7.887 1.00 0.00 N ATOM 427 CA ALA A 24 -6.737 -4.659 -8.713 1.00 0.00 C ATOM 428 C ALA A 24 -6.865 -5.911 -7.853 1.00 0.00 C ATOM 429 O ALA A 24 -7.343 -6.947 -8.315 1.00 0.00 O ATOM 430 CB ALA A 24 -5.563 -4.793 -9.672 1.00 0.00 C ATOM 0 H ALA A 24 -5.652 -3.051 -7.918 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.655 -4.552 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.692 -5.687 -10.283 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.519 -3.916 -10.318 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.636 -4.873 -9.104 1.00 0.00 H new ATOM 436 N ALA A 25 -6.434 -5.810 -6.600 1.00 0.00 N ATOM 437 CA ALA A 25 -6.502 -6.934 -5.675 1.00 0.00 C ATOM 438 C ALA A 25 -7.893 -7.057 -5.061 1.00 0.00 C ATOM 439 O ALA A 25 -8.266 -8.113 -4.549 1.00 0.00 O ATOM 440 CB ALA A 25 -5.453 -6.784 -4.583 1.00 0.00 C ATOM 0 H ALA A 25 -6.034 -4.960 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.299 -7.846 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.516 -7.631 -3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.461 -6.754 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.630 -5.860 -4.033 1.00 0.00 H new ATOM 446 N PHE A 26 -8.656 -5.970 -5.115 1.00 0.00 N ATOM 447 CA PHE A 26 -10.006 -5.956 -4.563 1.00 0.00 C ATOM 448 C PHE A 26 -11.037 -5.678 -5.653 1.00 0.00 C ATOM 449 O PHE A 26 -12.238 -5.626 -5.387 1.00 0.00 O ATOM 450 CB PHE A 26 -10.117 -4.902 -3.460 1.00 0.00 C ATOM 451 CG PHE A 26 -9.373 -5.264 -2.206 1.00 0.00 C ATOM 452 CD1 PHE A 26 -8.031 -5.606 -2.256 1.00 0.00 C ATOM 453 CD2 PHE A 26 -10.015 -5.264 -0.979 1.00 0.00 C ATOM 454 CE1 PHE A 26 -7.343 -5.940 -1.105 1.00 0.00 C ATOM 455 CE2 PHE A 26 -9.332 -5.597 0.176 1.00 0.00 C ATOM 456 CZ PHE A 26 -7.995 -5.936 0.113 1.00 0.00 C ATOM 0 H PHE A 26 -8.363 -5.088 -5.535 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.208 -6.939 -4.139 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.737 -3.952 -3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -11.169 -4.751 -3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.517 -5.612 -3.206 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.061 -5.001 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.297 -6.204 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.844 -5.592 1.127 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.460 -6.197 1.014 1.00 0.00 H new ATOM 466 N ILE A 27 -10.559 -5.501 -6.880 1.00 0.00 N ATOM 467 CA ILE A 27 -11.438 -5.229 -8.010 1.00 0.00 C ATOM 468 C ILE A 27 -12.435 -6.364 -8.216 1.00 0.00 C ATOM 469 O ILE A 27 -13.565 -6.158 -8.658 1.00 0.00 O ATOM 470 CB ILE A 27 -10.637 -5.023 -9.309 1.00 0.00 C ATOM 471 CG1 ILE A 27 -11.479 -4.265 -10.338 1.00 0.00 C ATOM 472 CG2 ILE A 27 -10.184 -6.362 -9.871 1.00 0.00 C ATOM 473 CD1 ILE A 27 -11.751 -2.827 -9.955 1.00 0.00 C ATOM 0 H ILE A 27 -9.568 -5.541 -7.117 1.00 0.00 H new ATOM 0 HA ILE A 27 -11.978 -4.312 -7.776 1.00 0.00 H new ATOM 0 HB ILE A 27 -9.752 -4.429 -9.082 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.967 -4.286 -11.300 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -12.429 -4.783 -10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.619 -6.199 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.552 -6.868 -9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.056 -6.980 -10.086 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.353 -2.352 -10.730 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.290 -2.798 -9.008 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.806 -2.293 -9.851 1.00 0.00 H new ATOM 485 N PRO A 28 -12.010 -7.593 -7.886 1.00 0.00 N ATOM 486 CA PRO A 28 -12.851 -8.785 -8.024 1.00 0.00 C ATOM 487 C PRO A 28 -14.120 -8.700 -7.182 1.00 0.00 C ATOM 488 O PRO A 28 -15.223 -8.934 -7.678 1.00 0.00 O ATOM 489 CB PRO A 28 -11.950 -9.915 -7.519 1.00 0.00 C ATOM 490 CG PRO A 28 -10.566 -9.379 -7.643 1.00 0.00 C ATOM 491 CD PRO A 28 -10.675 -7.912 -7.352 1.00 0.00 C ATOM 0 HA PRO A 28 -13.198 -8.923 -9.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.183 -10.176 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -12.079 -10.820 -8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.891 -9.869 -6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.167 -9.552 -8.642 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.601 -7.701 -6.285 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.890 -7.339 -7.846 1.00 0.00 H new ATOM 499 N PHE A 29 -13.957 -8.364 -5.907 1.00 0.00 N ATOM 500 CA PHE A 29 -15.090 -8.248 -4.996 1.00 0.00 C ATOM 501 C PHE A 29 -16.198 -7.399 -5.612 1.00 0.00 C ATOM 502 O PHE A 29 -17.345 -7.833 -5.710 1.00 0.00 O ATOM 503 CB PHE A 29 -14.642 -7.636 -3.667 1.00 0.00 C ATOM 504 CG PHE A 29 -13.716 -8.520 -2.881 1.00 0.00 C ATOM 505 CD1 PHE A 29 -14.160 -9.729 -2.369 1.00 0.00 C ATOM 506 CD2 PHE A 29 -12.403 -8.142 -2.655 1.00 0.00 C ATOM 507 CE1 PHE A 29 -13.310 -10.545 -1.646 1.00 0.00 C ATOM 508 CE2 PHE A 29 -11.548 -8.954 -1.933 1.00 0.00 C ATOM 509 CZ PHE A 29 -12.003 -10.157 -1.427 1.00 0.00 C ATOM 0 H PHE A 29 -13.051 -8.167 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 29 -15.482 -9.249 -4.814 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -14.145 -6.686 -3.863 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -15.522 -7.417 -3.062 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -15.181 -10.037 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.043 -7.202 -3.047 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -13.668 -11.485 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.526 -8.649 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.338 -10.792 -0.861 1.00 0.00 H new ATOM 519 N GLY A 30 -15.846 -6.185 -6.024 1.00 0.00 N ATOM 520 CA GLY A 30 -16.822 -5.294 -6.625 1.00 0.00 C ATOM 521 C GLY A 30 -16.175 -4.168 -7.406 1.00 0.00 C ATOM 522 O GLY A 30 -15.167 -4.373 -8.084 1.00 0.00 O ATOM 0 H GLY A 30 -14.903 -5.803 -5.953 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -17.471 -5.866 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -17.455 -4.873 -5.844 1.00 0.00 H new ATOM 526 N ASP A 31 -16.754 -2.976 -7.314 1.00 0.00 N ATOM 527 CA ASP A 31 -16.228 -1.813 -8.019 1.00 0.00 C ATOM 528 C ASP A 31 -15.713 -0.768 -7.034 1.00 0.00 C ATOM 529 O ASP A 31 -16.458 0.112 -6.602 1.00 0.00 O ATOM 530 CB ASP A 31 -17.307 -1.201 -8.913 1.00 0.00 C ATOM 531 CG ASP A 31 -17.983 -2.233 -9.794 1.00 0.00 C ATOM 532 OD1 ASP A 31 -17.311 -2.774 -10.698 1.00 0.00 O ATOM 533 OD2 ASP A 31 -19.183 -2.501 -9.579 1.00 0.00 O ATOM 0 H ASP A 31 -17.588 -2.790 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.395 -2.142 -8.641 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -18.056 -0.712 -8.290 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.861 -0.429 -9.540 1.00 0.00 H new ATOM 538 N ILE A 32 -14.436 -0.872 -6.683 1.00 0.00 N ATOM 539 CA ILE A 32 -13.822 0.064 -5.749 1.00 0.00 C ATOM 540 C ILE A 32 -14.071 1.507 -6.174 1.00 0.00 C ATOM 541 O ILE A 32 -13.395 2.032 -7.059 1.00 0.00 O ATOM 542 CB ILE A 32 -12.304 -0.171 -5.633 1.00 0.00 C ATOM 543 CG1 ILE A 32 -12.020 -1.607 -5.188 1.00 0.00 C ATOM 544 CG2 ILE A 32 -11.688 0.823 -4.660 1.00 0.00 C ATOM 545 CD1 ILE A 32 -10.610 -2.064 -5.486 1.00 0.00 C ATOM 0 H ILE A 32 -13.806 -1.595 -7.031 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.284 -0.111 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.852 -0.019 -6.613 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.201 -1.689 -4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.723 -2.278 -5.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.615 0.645 -4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.864 1.838 -5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.143 0.700 -3.677 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.480 -3.091 -5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.431 -2.014 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.901 -1.417 -4.970 1.00 0.00 H new ATOM 557 N THR A 33 -15.047 2.146 -5.535 1.00 0.00 N ATOM 558 CA THR A 33 -15.386 3.529 -5.846 1.00 0.00 C ATOM 559 C THR A 33 -14.153 4.424 -5.788 1.00 0.00 C ATOM 560 O THR A 33 -13.900 5.208 -6.702 1.00 0.00 O ATOM 561 CB THR A 33 -16.450 4.078 -4.877 1.00 0.00 C ATOM 562 OG1 THR A 33 -15.933 4.100 -3.542 1.00 0.00 O ATOM 563 CG2 THR A 33 -17.712 3.230 -4.923 1.00 0.00 C ATOM 0 H THR A 33 -15.616 1.727 -4.799 1.00 0.00 H new ATOM 0 HA THR A 33 -15.789 3.535 -6.859 1.00 0.00 H new ATOM 0 HB THR A 33 -16.701 5.093 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.166 4.951 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.449 3.637 -4.231 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.120 3.239 -5.934 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.473 2.206 -4.638 1.00 0.00 H new ATOM 571 N ASP A 34 -13.389 4.300 -4.708 1.00 0.00 N ATOM 572 CA ASP A 34 -12.180 5.097 -4.531 1.00 0.00 C ATOM 573 C ASP A 34 -11.302 4.515 -3.429 1.00 0.00 C ATOM 574 O ASP A 34 -11.773 3.753 -2.584 1.00 0.00 O ATOM 575 CB ASP A 34 -12.542 6.546 -4.200 1.00 0.00 C ATOM 576 CG ASP A 34 -11.326 7.449 -4.149 1.00 0.00 C ATOM 577 OD1 ASP A 34 -10.418 7.272 -4.988 1.00 0.00 O ATOM 578 OD2 ASP A 34 -11.282 8.335 -3.269 1.00 0.00 O ATOM 0 H ASP A 34 -13.585 3.656 -3.942 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.620 5.075 -5.466 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.240 6.923 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.056 6.579 -3.239 1.00 0.00 H new ATOM 583 N ILE A 35 -10.023 4.877 -3.444 1.00 0.00 N ATOM 584 CA ILE A 35 -9.080 4.391 -2.445 1.00 0.00 C ATOM 585 C ILE A 35 -8.229 5.529 -1.892 1.00 0.00 C ATOM 586 O ILE A 35 -7.800 6.412 -2.633 1.00 0.00 O ATOM 587 CB ILE A 35 -8.152 3.308 -3.028 1.00 0.00 C ATOM 588 CG1 ILE A 35 -8.976 2.148 -3.591 1.00 0.00 C ATOM 589 CG2 ILE A 35 -7.185 2.810 -1.964 1.00 0.00 C ATOM 590 CD1 ILE A 35 -8.166 1.181 -4.426 1.00 0.00 C ATOM 0 H ILE A 35 -9.617 5.505 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.671 3.957 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.573 3.746 -3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.436 1.605 -2.765 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.786 2.550 -4.199 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.536 2.045 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.578 3.642 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.747 2.386 -1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.814 0.385 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.727 1.710 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.372 0.750 -3.816 1.00 0.00 H new ATOM 602 N GLN A 36 -7.989 5.499 -0.585 1.00 0.00 N ATOM 603 CA GLN A 36 -7.188 6.529 0.067 1.00 0.00 C ATOM 604 C GLN A 36 -5.943 5.925 0.708 1.00 0.00 C ATOM 605 O GLN A 36 -6.012 4.883 1.361 1.00 0.00 O ATOM 606 CB GLN A 36 -8.019 7.257 1.126 1.00 0.00 C ATOM 607 CG GLN A 36 -8.865 8.387 0.563 1.00 0.00 C ATOM 608 CD GLN A 36 -9.466 8.051 -0.788 1.00 0.00 C ATOM 609 OE1 GLN A 36 -9.177 8.707 -1.789 1.00 0.00 O ATOM 610 NE2 GLN A 36 -10.306 7.023 -0.823 1.00 0.00 N ATOM 0 H GLN A 36 -8.337 4.774 0.043 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.873 7.244 -0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.671 6.538 1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.351 7.659 1.887 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -9.666 8.620 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.252 9.283 0.470 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.517 6.507 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -10.740 6.749 -1.704 1.00 0.00 H new ATOM 619 N ILE A 37 -4.806 6.586 0.517 1.00 0.00 N ATOM 620 CA ILE A 37 -3.546 6.114 1.077 1.00 0.00 C ATOM 621 C ILE A 37 -2.917 7.169 1.981 1.00 0.00 C ATOM 622 O ILE A 37 -2.551 8.260 1.543 1.00 0.00 O ATOM 623 CB ILE A 37 -2.543 5.739 -0.030 1.00 0.00 C ATOM 624 CG1 ILE A 37 -3.165 4.723 -0.990 1.00 0.00 C ATOM 625 CG2 ILE A 37 -1.264 5.185 0.579 1.00 0.00 C ATOM 626 CD1 ILE A 37 -3.386 3.362 -0.368 1.00 0.00 C ATOM 0 H ILE A 37 -4.732 7.449 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.775 5.225 1.664 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.294 6.638 -0.593 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.119 5.110 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.519 4.615 -1.861 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.565 4.925 -0.216 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.813 5.938 1.226 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.495 4.295 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.829 2.693 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.431 2.954 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.057 3.457 0.486 1.00 0.00 H new ATOM 638 N PRO A 38 -2.786 6.838 3.274 1.00 0.00 N ATOM 639 CA PRO A 38 -2.199 7.742 4.267 1.00 0.00 C ATOM 640 C PRO A 38 -0.700 7.933 4.063 1.00 0.00 C ATOM 641 O PRO A 38 0.068 6.969 4.082 1.00 0.00 O ATOM 642 CB PRO A 38 -2.471 7.034 5.597 1.00 0.00 C ATOM 643 CG PRO A 38 -2.591 5.593 5.241 1.00 0.00 C ATOM 644 CD PRO A 38 -3.200 5.555 3.866 1.00 0.00 C ATOM 0 HA PRO A 38 -2.624 8.744 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.661 7.200 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.384 7.404 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.616 5.107 5.249 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.217 5.064 5.960 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.832 4.708 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.285 5.464 3.910 1.00 0.00 H new ATOM 652 N LEU A 39 -0.288 9.181 3.868 1.00 0.00 N ATOM 653 CA LEU A 39 1.121 9.498 3.660 1.00 0.00 C ATOM 654 C LEU A 39 1.535 10.705 4.495 1.00 0.00 C ATOM 655 O LEU A 39 0.700 11.524 4.879 1.00 0.00 O ATOM 656 CB LEU A 39 1.390 9.771 2.179 1.00 0.00 C ATOM 657 CG LEU A 39 1.009 8.651 1.210 1.00 0.00 C ATOM 658 CD1 LEU A 39 1.235 9.089 -0.228 1.00 0.00 C ATOM 659 CD2 LEU A 39 1.802 7.389 1.516 1.00 0.00 C ATOM 0 H LEU A 39 -0.909 9.990 3.850 1.00 0.00 H new ATOM 0 HA LEU A 39 1.712 8.639 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.848 10.672 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.452 9.985 2.057 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.051 8.431 1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.958 8.279 -0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.622 9.965 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.286 9.338 -0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.518 6.602 0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.868 7.596 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.589 7.063 2.534 1.00 0.00 H new ATOM 671 N ASP A 40 2.831 10.811 4.770 1.00 0.00 N ATOM 672 CA ASP A 40 3.358 11.920 5.556 1.00 0.00 C ATOM 673 C ASP A 40 3.777 13.076 4.653 1.00 0.00 C ATOM 674 O ASP A 40 3.782 12.950 3.428 1.00 0.00 O ATOM 675 CB ASP A 40 4.548 11.457 6.398 1.00 0.00 C ATOM 676 CG ASP A 40 4.789 12.349 7.600 1.00 0.00 C ATOM 677 OD1 ASP A 40 5.500 13.366 7.451 1.00 0.00 O ATOM 678 OD2 ASP A 40 4.267 12.031 8.688 1.00 0.00 O ATOM 0 H ASP A 40 3.536 10.142 4.460 1.00 0.00 H new ATOM 0 HA ASP A 40 2.567 12.270 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.374 10.435 6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.444 11.439 5.777 1.00 0.00 H new ATOM 683 N TYR A 41 4.127 14.202 5.265 1.00 0.00 N ATOM 684 CA TYR A 41 4.544 15.381 4.516 1.00 0.00 C ATOM 685 C TYR A 41 6.065 15.457 4.422 1.00 0.00 C ATOM 686 O TYR A 41 6.613 16.346 3.772 1.00 0.00 O ATOM 687 CB TYR A 41 3.999 16.649 5.175 1.00 0.00 C ATOM 688 CG TYR A 41 4.171 16.672 6.677 1.00 0.00 C ATOM 689 CD1 TYR A 41 3.199 16.139 7.516 1.00 0.00 C ATOM 690 CD2 TYR A 41 5.303 17.229 7.258 1.00 0.00 C ATOM 691 CE1 TYR A 41 3.352 16.159 8.889 1.00 0.00 C ATOM 692 CE2 TYR A 41 5.465 17.251 8.630 1.00 0.00 C ATOM 693 CZ TYR A 41 4.486 16.716 9.441 1.00 0.00 C ATOM 694 OH TYR A 41 4.643 16.737 10.808 1.00 0.00 O ATOM 0 H TYR A 41 4.130 14.323 6.278 1.00 0.00 H new ATOM 0 HA TYR A 41 4.139 15.301 3.507 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.502 17.516 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 41 2.940 16.745 4.937 1.00 0.00 H new ATOM 0 HD1 TYR A 41 2.309 15.702 7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 41 6.070 17.652 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 41 2.587 15.740 9.527 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.353 17.685 9.065 1.00 0.00 H new ATOM 0 HH TYR A 41 5.496 17.163 11.033 1.00 0.00 H new ATOM 704 N GLU A 42 6.739 14.517 5.077 1.00 0.00 N ATOM 705 CA GLU A 42 8.197 14.477 5.068 1.00 0.00 C ATOM 706 C GLU A 42 8.702 13.200 4.403 1.00 0.00 C ATOM 707 O GLU A 42 9.725 13.205 3.717 1.00 0.00 O ATOM 708 CB GLU A 42 8.741 14.572 6.495 1.00 0.00 C ATOM 709 CG GLU A 42 8.553 15.940 7.129 1.00 0.00 C ATOM 710 CD GLU A 42 9.539 16.204 8.250 1.00 0.00 C ATOM 711 OE1 GLU A 42 9.340 15.657 9.355 1.00 0.00 O ATOM 712 OE2 GLU A 42 10.508 16.957 8.024 1.00 0.00 O ATOM 0 H GLU A 42 6.300 13.774 5.620 1.00 0.00 H new ATOM 0 HA GLU A 42 8.555 15.331 4.493 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.247 13.823 7.114 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.803 14.328 6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.664 16.709 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.538 16.020 7.517 1.00 0.00 H new ATOM 719 N THR A 43 7.978 12.105 4.612 1.00 0.00 N ATOM 720 CA THR A 43 8.352 10.820 4.035 1.00 0.00 C ATOM 721 C THR A 43 7.369 10.397 2.950 1.00 0.00 C ATOM 722 O THR A 43 7.688 9.567 2.099 1.00 0.00 O ATOM 723 CB THR A 43 8.417 9.719 5.110 1.00 0.00 C ATOM 724 OG1 THR A 43 7.197 9.694 5.860 1.00 0.00 O ATOM 725 CG2 THR A 43 9.591 9.949 6.050 1.00 0.00 C ATOM 0 H THR A 43 7.129 12.083 5.177 1.00 0.00 H new ATOM 0 HA THR A 43 9.341 10.947 3.595 1.00 0.00 H new ATOM 0 HB THR A 43 8.555 8.761 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.303 9.106 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 43 9.616 9.159 6.801 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.520 9.939 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.478 10.914 6.543 1.00 0.00 H new ATOM 733 N GLU A 44 6.171 10.973 2.985 1.00 0.00 N ATOM 734 CA GLU A 44 5.141 10.654 2.004 1.00 0.00 C ATOM 735 C GLU A 44 4.982 9.144 1.853 1.00 0.00 C ATOM 736 O GLU A 44 4.684 8.644 0.768 1.00 0.00 O ATOM 737 CB GLU A 44 5.485 11.279 0.650 1.00 0.00 C ATOM 738 CG GLU A 44 5.060 12.732 0.524 1.00 0.00 C ATOM 739 CD GLU A 44 6.091 13.692 1.084 1.00 0.00 C ATOM 740 OE1 GLU A 44 6.855 13.285 1.984 1.00 0.00 O ATOM 741 OE2 GLU A 44 6.135 14.851 0.620 1.00 0.00 O ATOM 0 H GLU A 44 5.890 11.663 3.682 1.00 0.00 H new ATOM 0 HA GLU A 44 4.197 11.068 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.561 11.209 0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.007 10.700 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.884 12.965 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.114 12.876 1.045 1.00 0.00 H new ATOM 748 N LYS A 45 5.182 8.422 2.951 1.00 0.00 N ATOM 749 CA LYS A 45 5.060 6.969 2.944 1.00 0.00 C ATOM 750 C LYS A 45 3.893 6.517 3.815 1.00 0.00 C ATOM 751 O LYS A 45 3.424 7.261 4.678 1.00 0.00 O ATOM 752 CB LYS A 45 6.358 6.326 3.437 1.00 0.00 C ATOM 753 CG LYS A 45 6.533 6.387 4.945 1.00 0.00 C ATOM 754 CD LYS A 45 7.660 5.482 5.412 1.00 0.00 C ATOM 755 CE LYS A 45 7.982 5.706 6.882 1.00 0.00 C ATOM 756 NZ LYS A 45 6.920 5.160 7.772 1.00 0.00 N ATOM 0 H LYS A 45 5.429 8.820 3.857 1.00 0.00 H new ATOM 0 HA LYS A 45 4.870 6.650 1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.381 5.284 3.119 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.203 6.823 2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.741 7.414 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.603 6.093 5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.381 4.440 5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.550 5.668 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.935 5.233 7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.100 6.773 7.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.177 5.333 8.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.016 5.629 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.825 4.137 7.612 1.00 0.00 H new ATOM 770 N HIS A 46 3.429 5.292 3.586 1.00 0.00 N ATOM 771 CA HIS A 46 2.317 4.740 4.353 1.00 0.00 C ATOM 772 C HIS A 46 2.810 3.695 5.349 1.00 0.00 C ATOM 773 O HIS A 46 3.863 3.086 5.155 1.00 0.00 O ATOM 774 CB HIS A 46 1.282 4.119 3.415 1.00 0.00 C ATOM 775 CG HIS A 46 1.841 3.042 2.536 1.00 0.00 C ATOM 776 ND1 HIS A 46 2.317 1.844 3.024 1.00 0.00 N ATOM 777 CD2 HIS A 46 1.995 2.988 1.192 1.00 0.00 C ATOM 778 CE1 HIS A 46 2.742 1.099 2.019 1.00 0.00 C ATOM 779 NE2 HIS A 46 2.558 1.770 0.896 1.00 0.00 N ATOM 0 H HIS A 46 3.805 4.663 2.876 1.00 0.00 H new ATOM 0 HA HIS A 46 1.851 5.554 4.908 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.467 3.705 4.009 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.855 4.902 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.726 3.758 0.485 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.167 0.110 2.102 1.00 0.00 H new ATOM 0 HE2 HIS A 46 2.795 1.438 -0.039 1.00 0.00 H new ATOM 787 N ARG A 47 2.044 3.494 6.416 1.00 0.00 N ATOM 788 CA ARG A 47 2.404 2.525 7.444 1.00 0.00 C ATOM 789 C ARG A 47 1.884 1.135 7.086 1.00 0.00 C ATOM 790 O ARG A 47 1.359 0.420 7.938 1.00 0.00 O ATOM 791 CB ARG A 47 1.846 2.957 8.801 1.00 0.00 C ATOM 792 CG ARG A 47 2.498 2.253 9.980 1.00 0.00 C ATOM 793 CD ARG A 47 1.986 2.796 11.305 1.00 0.00 C ATOM 794 NE ARG A 47 2.233 1.871 12.407 1.00 0.00 N ATOM 795 CZ ARG A 47 1.561 0.737 12.579 1.00 0.00 C ATOM 796 NH1 ARG A 47 0.608 0.391 11.725 1.00 0.00 N ATOM 797 NH2 ARG A 47 1.843 -0.053 13.607 1.00 0.00 N ATOM 0 H ARG A 47 1.170 3.989 6.591 1.00 0.00 H new ATOM 0 HA ARG A 47 3.492 2.483 7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.978 4.033 8.913 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.773 2.764 8.821 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.298 1.183 9.922 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.579 2.378 9.928 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.469 3.750 11.517 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.916 2.991 11.228 1.00 0.00 H new ATOM 0 HE ARG A 47 2.961 2.108 13.082 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.389 0.996 10.933 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.094 -0.480 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.576 0.210 14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.327 -0.923 13.738 1.00 0.00 H new ATOM 811 N GLY A 48 2.034 0.760 5.819 1.00 0.00 N ATOM 812 CA GLY A 48 1.574 -0.541 5.372 1.00 0.00 C ATOM 813 C GLY A 48 0.089 -0.742 5.600 1.00 0.00 C ATOM 814 O GLY A 48 -0.328 -1.747 6.175 1.00 0.00 O ATOM 0 H GLY A 48 2.466 1.334 5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.794 -0.655 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.128 -1.319 5.898 1.00 0.00 H new ATOM 818 N PHE A 49 -0.712 0.219 5.151 1.00 0.00 N ATOM 819 CA PHE A 49 -2.159 0.144 5.312 1.00 0.00 C ATOM 820 C PHE A 49 -2.858 1.182 4.437 1.00 0.00 C ATOM 821 O PHE A 49 -2.227 2.111 3.934 1.00 0.00 O ATOM 822 CB PHE A 49 -2.542 0.356 6.778 1.00 0.00 C ATOM 823 CG PHE A 49 -2.471 1.792 7.215 1.00 0.00 C ATOM 824 CD1 PHE A 49 -1.249 2.435 7.328 1.00 0.00 C ATOM 825 CD2 PHE A 49 -3.625 2.498 7.512 1.00 0.00 C ATOM 826 CE1 PHE A 49 -1.180 3.755 7.730 1.00 0.00 C ATOM 827 CE2 PHE A 49 -3.563 3.818 7.915 1.00 0.00 C ATOM 828 CZ PHE A 49 -2.338 4.448 8.023 1.00 0.00 C ATOM 0 H PHE A 49 -0.383 1.058 4.673 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.484 -0.848 4.999 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.555 -0.014 6.938 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.881 -0.240 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.340 1.898 7.099 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.585 2.011 7.428 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.221 4.245 7.815 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.470 4.357 8.145 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.286 5.480 8.336 1.00 0.00 H new ATOM 838 N ALA A 50 -4.164 1.014 4.259 1.00 0.00 N ATOM 839 CA ALA A 50 -4.949 1.935 3.447 1.00 0.00 C ATOM 840 C ALA A 50 -6.444 1.716 3.658 1.00 0.00 C ATOM 841 O ALA A 50 -6.851 0.890 4.475 1.00 0.00 O ATOM 842 CB ALA A 50 -4.593 1.777 1.977 1.00 0.00 C ATOM 0 H ALA A 50 -4.701 0.248 4.666 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.710 2.951 3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.187 2.471 1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.534 1.991 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.803 0.756 1.660 1.00 0.00 H new ATOM 848 N PHE A 51 -7.256 2.461 2.916 1.00 0.00 N ATOM 849 CA PHE A 51 -8.706 2.349 3.023 1.00 0.00 C ATOM 850 C PHE A 51 -9.345 2.214 1.643 1.00 0.00 C ATOM 851 O PHE A 51 -9.206 3.094 0.794 1.00 0.00 O ATOM 852 CB PHE A 51 -9.281 3.569 3.746 1.00 0.00 C ATOM 853 CG PHE A 51 -8.700 3.783 5.114 1.00 0.00 C ATOM 854 CD1 PHE A 51 -9.263 3.174 6.224 1.00 0.00 C ATOM 855 CD2 PHE A 51 -7.590 4.594 5.290 1.00 0.00 C ATOM 856 CE1 PHE A 51 -8.731 3.371 7.484 1.00 0.00 C ATOM 857 CE2 PHE A 51 -7.053 4.794 6.548 1.00 0.00 C ATOM 858 CZ PHE A 51 -7.623 4.181 7.646 1.00 0.00 C ATOM 0 H PHE A 51 -6.935 3.149 2.234 1.00 0.00 H new ATOM 0 HA PHE A 51 -8.934 1.452 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -9.102 4.458 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -10.361 3.454 3.833 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -10.128 2.538 6.103 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.139 5.075 4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -9.181 2.892 8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.188 5.429 6.672 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.204 4.334 8.629 1.00 0.00 H new ATOM 868 N VAL A 52 -10.045 1.105 1.428 1.00 0.00 N ATOM 869 CA VAL A 52 -10.705 0.853 0.153 1.00 0.00 C ATOM 870 C VAL A 52 -12.216 1.017 0.275 1.00 0.00 C ATOM 871 O VAL A 52 -12.864 0.323 1.057 1.00 0.00 O ATOM 872 CB VAL A 52 -10.394 -0.561 -0.372 1.00 0.00 C ATOM 873 CG1 VAL A 52 -11.045 -0.783 -1.728 1.00 0.00 C ATOM 874 CG2 VAL A 52 -8.891 -0.781 -0.450 1.00 0.00 C ATOM 0 H VAL A 52 -10.170 0.367 2.121 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.318 1.587 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 52 -10.809 -1.288 0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -10.814 -1.788 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -12.125 -0.670 -1.636 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.663 -0.051 -2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.689 -1.785 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.451 -0.048 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.455 -0.668 0.542 1.00 0.00 H new ATOM 884 N GLU A 53 -12.771 1.940 -0.505 1.00 0.00 N ATOM 885 CA GLU A 53 -14.206 2.195 -0.484 1.00 0.00 C ATOM 886 C GLU A 53 -14.924 1.354 -1.536 1.00 0.00 C ATOM 887 O GLU A 53 -14.608 1.424 -2.724 1.00 0.00 O ATOM 888 CB GLU A 53 -14.487 3.680 -0.723 1.00 0.00 C ATOM 889 CG GLU A 53 -15.870 4.118 -0.272 1.00 0.00 C ATOM 890 CD GLU A 53 -16.067 5.618 -0.369 1.00 0.00 C ATOM 891 OE1 GLU A 53 -16.096 6.141 -1.503 1.00 0.00 O ATOM 892 OE2 GLU A 53 -16.194 6.269 0.689 1.00 0.00 O ATOM 0 H GLU A 53 -12.248 2.523 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.584 1.915 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -13.738 4.272 -0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -14.375 3.896 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -16.622 3.616 -0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.030 3.800 0.758 1.00 0.00 H new ATOM 899 N PHE A 54 -15.891 0.559 -1.091 1.00 0.00 N ATOM 900 CA PHE A 54 -16.653 -0.297 -1.993 1.00 0.00 C ATOM 901 C PHE A 54 -17.913 0.413 -2.482 1.00 0.00 C ATOM 902 O PHE A 54 -18.333 1.417 -1.908 1.00 0.00 O ATOM 903 CB PHE A 54 -17.030 -1.604 -1.293 1.00 0.00 C ATOM 904 CG PHE A 54 -15.913 -2.607 -1.255 1.00 0.00 C ATOM 905 CD1 PHE A 54 -14.622 -2.215 -0.941 1.00 0.00 C ATOM 906 CD2 PHE A 54 -16.153 -3.943 -1.535 1.00 0.00 C ATOM 907 CE1 PHE A 54 -13.591 -3.136 -0.905 1.00 0.00 C ATOM 908 CE2 PHE A 54 -15.127 -4.868 -1.501 1.00 0.00 C ATOM 909 CZ PHE A 54 -13.845 -4.464 -1.186 1.00 0.00 C ATOM 0 H PHE A 54 -16.166 0.490 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.026 -0.523 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -17.344 -1.383 -0.273 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.887 -2.045 -1.802 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -14.418 -1.177 -0.722 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.154 -4.265 -1.783 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.589 -2.817 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.328 -5.906 -1.721 1.00 0.00 H new ATOM 0 HZ PHE A 54 -13.042 -5.186 -1.159 1.00 0.00 H new ATOM 919 N GLU A 55 -18.509 -0.117 -3.545 1.00 0.00 N ATOM 920 CA GLU A 55 -19.719 0.466 -4.112 1.00 0.00 C ATOM 921 C GLU A 55 -20.876 0.388 -3.120 1.00 0.00 C ATOM 922 O GLU A 55 -21.672 1.321 -3.003 1.00 0.00 O ATOM 923 CB GLU A 55 -20.097 -0.249 -5.410 1.00 0.00 C ATOM 924 CG GLU A 55 -21.331 0.326 -6.085 1.00 0.00 C ATOM 925 CD GLU A 55 -21.992 -0.659 -7.029 1.00 0.00 C ATOM 926 OE1 GLU A 55 -21.954 -1.873 -6.742 1.00 0.00 O ATOM 927 OE2 GLU A 55 -22.548 -0.214 -8.056 1.00 0.00 O ATOM 0 H GLU A 55 -18.174 -0.949 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 55 -19.519 1.515 -4.329 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -19.257 -0.196 -6.102 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -20.268 -1.304 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -22.049 0.631 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -21.053 1.223 -6.638 1.00 0.00 H new ATOM 934 N LEU A 56 -20.964 -0.730 -2.409 1.00 0.00 N ATOM 935 CA LEU A 56 -22.024 -0.931 -1.427 1.00 0.00 C ATOM 936 C LEU A 56 -21.461 -1.499 -0.127 1.00 0.00 C ATOM 937 O LEU A 56 -20.272 -1.798 -0.033 1.00 0.00 O ATOM 938 CB LEU A 56 -23.093 -1.871 -1.987 1.00 0.00 C ATOM 939 CG LEU A 56 -23.790 -1.408 -3.266 1.00 0.00 C ATOM 940 CD1 LEU A 56 -24.715 -2.495 -3.793 1.00 0.00 C ATOM 941 CD2 LEU A 56 -24.564 -0.122 -3.016 1.00 0.00 C ATOM 0 H LEU A 56 -20.314 -1.512 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.476 0.037 -1.213 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -22.632 -2.840 -2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.851 -2.025 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 56 -23.029 -1.210 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.203 -2.148 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -24.135 -3.392 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -25.471 -2.725 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -25.054 0.193 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -25.316 -0.294 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -23.877 0.657 -2.685 1.00 0.00 H new ATOM 953 N ALA A 57 -22.326 -1.645 0.871 1.00 0.00 N ATOM 954 CA ALA A 57 -21.917 -2.181 2.164 1.00 0.00 C ATOM 955 C ALA A 57 -21.762 -3.697 2.106 1.00 0.00 C ATOM 956 O ALA A 57 -20.732 -4.240 2.503 1.00 0.00 O ATOM 957 CB ALA A 57 -22.921 -1.792 3.238 1.00 0.00 C ATOM 0 H ALA A 57 -23.314 -1.400 0.809 1.00 0.00 H new ATOM 0 HA ALA A 57 -20.947 -1.752 2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -22.603 -2.199 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -22.979 -0.706 3.306 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -23.902 -2.192 2.981 1.00 0.00 H new ATOM 963 N GLU A 58 -22.793 -4.374 1.609 1.00 0.00 N ATOM 964 CA GLU A 58 -22.770 -5.828 1.501 1.00 0.00 C ATOM 965 C GLU A 58 -21.435 -6.311 0.942 1.00 0.00 C ATOM 966 O GLU A 58 -20.660 -6.967 1.638 1.00 0.00 O ATOM 967 CB GLU A 58 -23.915 -6.313 0.609 1.00 0.00 C ATOM 968 CG GLU A 58 -25.272 -5.756 1.003 1.00 0.00 C ATOM 969 CD GLU A 58 -26.411 -6.694 0.656 1.00 0.00 C ATOM 970 OE1 GLU A 58 -26.588 -7.702 1.372 1.00 0.00 O ATOM 971 OE2 GLU A 58 -27.125 -6.422 -0.332 1.00 0.00 O ATOM 0 H GLU A 58 -23.653 -3.939 1.275 1.00 0.00 H new ATOM 0 HA GLU A 58 -22.897 -6.243 2.501 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -23.703 -6.034 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -23.955 -7.402 0.643 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -25.282 -5.559 2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -25.428 -4.801 0.502 1.00 0.00 H new ATOM 978 N ASP A 59 -21.174 -5.983 -0.318 1.00 0.00 N ATOM 979 CA ASP A 59 -19.933 -6.383 -0.971 1.00 0.00 C ATOM 980 C ASP A 59 -18.749 -6.240 -0.021 1.00 0.00 C ATOM 981 O ASP A 59 -17.930 -7.150 0.108 1.00 0.00 O ATOM 982 CB ASP A 59 -19.699 -5.542 -2.227 1.00 0.00 C ATOM 983 CG ASP A 59 -20.890 -5.559 -3.165 1.00 0.00 C ATOM 984 OD1 ASP A 59 -21.465 -6.648 -3.375 1.00 0.00 O ATOM 985 OD2 ASP A 59 -21.247 -4.483 -3.689 1.00 0.00 O ATOM 0 H ASP A 59 -21.805 -5.441 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.023 -7.431 -1.256 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -19.483 -4.514 -1.937 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.821 -5.916 -2.753 1.00 0.00 H new ATOM 990 N ALA A 60 -18.663 -5.092 0.643 1.00 0.00 N ATOM 991 CA ALA A 60 -17.580 -4.831 1.582 1.00 0.00 C ATOM 992 C ALA A 60 -17.460 -5.952 2.608 1.00 0.00 C ATOM 993 O ALA A 60 -16.393 -6.543 2.775 1.00 0.00 O ATOM 994 CB ALA A 60 -17.796 -3.496 2.279 1.00 0.00 C ATOM 0 H ALA A 60 -19.331 -4.327 0.548 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.647 -4.788 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -16.979 -3.314 2.978 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.823 -2.698 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -18.740 -3.518 2.823 1.00 0.00 H new ATOM 1000 N ALA A 61 -18.562 -6.241 3.293 1.00 0.00 N ATOM 1001 CA ALA A 61 -18.580 -7.293 4.302 1.00 0.00 C ATOM 1002 C ALA A 61 -17.994 -8.589 3.754 1.00 0.00 C ATOM 1003 O ALA A 61 -17.173 -9.235 4.405 1.00 0.00 O ATOM 1004 CB ALA A 61 -19.999 -7.522 4.800 1.00 0.00 C ATOM 0 H ALA A 61 -19.453 -5.761 3.167 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.961 -6.970 5.139 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -19.998 -8.310 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -20.384 -6.601 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -20.634 -7.819 3.965 1.00 0.00 H new ATOM 1010 N ALA A 62 -18.422 -8.966 2.553 1.00 0.00 N ATOM 1011 CA ALA A 62 -17.938 -10.185 1.917 1.00 0.00 C ATOM 1012 C ALA A 62 -16.430 -10.128 1.697 1.00 0.00 C ATOM 1013 O ALA A 62 -15.733 -11.131 1.847 1.00 0.00 O ATOM 1014 CB ALA A 62 -18.658 -10.412 0.596 1.00 0.00 C ATOM 0 H ALA A 62 -19.103 -8.444 2.001 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.150 -11.022 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -18.287 -11.326 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.729 -10.506 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.475 -9.567 -0.068 1.00 0.00 H new ATOM 1020 N ALA A 63 -15.933 -8.948 1.340 1.00 0.00 N ATOM 1021 CA ALA A 63 -14.507 -8.761 1.101 1.00 0.00 C ATOM 1022 C ALA A 63 -13.696 -9.052 2.359 1.00 0.00 C ATOM 1023 O ALA A 63 -12.644 -9.688 2.297 1.00 0.00 O ATOM 1024 CB ALA A 63 -14.236 -7.346 0.611 1.00 0.00 C ATOM 0 H ALA A 63 -16.496 -8.108 1.210 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.197 -9.467 0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -13.167 -7.220 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.778 -7.173 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.568 -6.631 1.364 1.00 0.00 H new ATOM 1030 N ILE A 64 -14.192 -8.583 3.499 1.00 0.00 N ATOM 1031 CA ILE A 64 -13.513 -8.794 4.771 1.00 0.00 C ATOM 1032 C ILE A 64 -13.490 -10.273 5.143 1.00 0.00 C ATOM 1033 O ILE A 64 -12.424 -10.868 5.299 1.00 0.00 O ATOM 1034 CB ILE A 64 -14.186 -8.001 5.907 1.00 0.00 C ATOM 1035 CG1 ILE A 64 -14.157 -6.503 5.599 1.00 0.00 C ATOM 1036 CG2 ILE A 64 -13.498 -8.288 7.233 1.00 0.00 C ATOM 1037 CD1 ILE A 64 -15.080 -5.687 6.477 1.00 0.00 C ATOM 0 H ILE A 64 -15.062 -8.054 3.568 1.00 0.00 H new ATOM 0 HA ILE A 64 -12.491 -8.437 4.646 1.00 0.00 H new ATOM 0 HB ILE A 64 -15.226 -8.317 5.984 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -13.138 -6.136 5.717 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.432 -6.350 4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.985 -7.720 8.026 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.566 -9.353 7.455 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -12.450 -7.997 7.169 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -15.007 -4.635 6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -16.107 -6.027 6.341 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -14.792 -5.810 7.521 1.00 0.00 H new ATOM 1049 N ASP A 65 -14.673 -10.861 5.283 1.00 0.00 N ATOM 1050 CA ASP A 65 -14.790 -12.271 5.634 1.00 0.00 C ATOM 1051 C ASP A 65 -13.728 -13.099 4.917 1.00 0.00 C ATOM 1052 O ASP A 65 -13.321 -14.155 5.398 1.00 0.00 O ATOM 1053 CB ASP A 65 -16.184 -12.793 5.283 1.00 0.00 C ATOM 1054 CG ASP A 65 -16.517 -14.085 6.002 1.00 0.00 C ATOM 1055 OD1 ASP A 65 -15.576 -14.830 6.349 1.00 0.00 O ATOM 1056 OD2 ASP A 65 -17.718 -14.353 6.218 1.00 0.00 O ATOM 0 H ASP A 65 -15.565 -10.382 5.159 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.636 -12.366 6.709 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -16.927 -12.037 5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.248 -12.953 4.207 1.00 0.00 H new ATOM 1061 N ASN A 66 -13.286 -12.612 3.762 1.00 0.00 N ATOM 1062 CA ASN A 66 -12.273 -13.308 2.977 1.00 0.00 C ATOM 1063 C ASN A 66 -10.893 -12.698 3.206 1.00 0.00 C ATOM 1064 O ASN A 66 -10.048 -13.286 3.879 1.00 0.00 O ATOM 1065 CB ASN A 66 -12.625 -13.255 1.489 1.00 0.00 C ATOM 1066 CG ASN A 66 -13.819 -14.126 1.146 1.00 0.00 C ATOM 1067 OD1 ASN A 66 -13.674 -15.181 0.528 1.00 0.00 O ATOM 1068 ND2 ASN A 66 -15.006 -13.686 1.547 1.00 0.00 N ATOM 0 H ASN A 66 -13.613 -11.739 3.349 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.250 -14.348 3.301 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.837 -12.224 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.764 -13.576 0.903 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -15.846 -14.229 1.345 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -15.078 -12.805 2.057 1.00 0.00 H new ATOM 1075 N MET A 67 -10.674 -11.515 2.641 1.00 0.00 N ATOM 1076 CA MET A 67 -9.398 -10.824 2.785 1.00 0.00 C ATOM 1077 C MET A 67 -8.854 -10.977 4.203 1.00 0.00 C ATOM 1078 O MET A 67 -7.707 -11.374 4.398 1.00 0.00 O ATOM 1079 CB MET A 67 -9.554 -9.341 2.443 1.00 0.00 C ATOM 1080 CG MET A 67 -9.939 -9.089 0.995 1.00 0.00 C ATOM 1081 SD MET A 67 -8.915 -10.014 -0.167 1.00 0.00 S ATOM 1082 CE MET A 67 -7.309 -9.284 0.143 1.00 0.00 C ATOM 0 H MET A 67 -11.363 -11.015 2.079 1.00 0.00 H new ATOM 0 HA MET A 67 -8.689 -11.276 2.092 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.312 -8.904 3.093 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.617 -8.827 2.656 1.00 0.00 H new ATOM 0 HG2 MET A 67 -10.984 -9.361 0.848 1.00 0.00 H new ATOM 0 HG3 MET A 67 -9.854 -8.024 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.948 -8.801 -0.765 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.393 -8.544 0.939 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.608 -10.062 0.444 1.00 0.00 H new ATOM 1092 N ASN A 68 -9.687 -10.658 5.188 1.00 0.00 N ATOM 1093 CA ASN A 68 -9.289 -10.758 6.588 1.00 0.00 C ATOM 1094 C ASN A 68 -8.379 -11.963 6.809 1.00 0.00 C ATOM 1095 O ASN A 68 -8.795 -13.108 6.633 1.00 0.00 O ATOM 1096 CB ASN A 68 -10.524 -10.866 7.484 1.00 0.00 C ATOM 1097 CG ASN A 68 -11.054 -12.285 7.571 1.00 0.00 C ATOM 1098 OD1 ASN A 68 -11.460 -12.870 6.567 1.00 0.00 O ATOM 1099 ND2 ASN A 68 -11.051 -12.844 8.775 1.00 0.00 N ATOM 0 H ASN A 68 -10.641 -10.328 5.043 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.737 -9.855 6.849 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.276 -10.512 8.485 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.307 -10.212 7.100 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -11.395 -13.797 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -10.705 -12.321 9.579 1.00 0.00 H new ATOM 1106 N GLU A 69 -7.136 -11.696 7.197 1.00 0.00 N ATOM 1107 CA GLU A 69 -6.168 -12.758 7.442 1.00 0.00 C ATOM 1108 C GLU A 69 -5.851 -13.513 6.155 1.00 0.00 C ATOM 1109 O GLU A 69 -5.755 -14.741 6.150 1.00 0.00 O ATOM 1110 CB GLU A 69 -6.700 -13.729 8.498 1.00 0.00 C ATOM 1111 CG GLU A 69 -7.045 -13.063 9.819 1.00 0.00 C ATOM 1112 CD GLU A 69 -7.795 -13.986 10.760 1.00 0.00 C ATOM 1113 OE1 GLU A 69 -7.143 -14.841 11.396 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -9.032 -13.853 10.861 1.00 0.00 O ATOM 0 H GLU A 69 -6.776 -10.754 7.348 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.250 -12.300 7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -7.589 -14.225 8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.954 -14.504 8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.128 -12.725 10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.649 -12.176 9.628 1.00 0.00 H new ATOM 1121 N SER A 70 -5.691 -12.771 5.064 1.00 0.00 N ATOM 1122 CA SER A 70 -5.390 -13.369 3.769 1.00 0.00 C ATOM 1123 C SER A 70 -3.898 -13.280 3.463 1.00 0.00 C ATOM 1124 O SER A 70 -3.153 -12.586 4.154 1.00 0.00 O ATOM 1125 CB SER A 70 -6.191 -12.677 2.664 1.00 0.00 C ATOM 1126 OG SER A 70 -7.536 -13.122 2.654 1.00 0.00 O ATOM 0 H SER A 70 -5.765 -11.754 5.051 1.00 0.00 H new ATOM 0 HA SER A 70 -5.673 -14.421 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.163 -11.597 2.812 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.731 -12.878 1.697 1.00 0.00 H new ATOM 0 HG SER A 70 -7.915 -13.038 3.554 1.00 0.00 H new ATOM 1132 N GLU A 71 -3.470 -13.988 2.423 1.00 0.00 N ATOM 1133 CA GLU A 71 -2.067 -13.990 2.026 1.00 0.00 C ATOM 1134 C GLU A 71 -1.836 -13.058 0.840 1.00 0.00 C ATOM 1135 O GLU A 71 -2.260 -13.344 -0.281 1.00 0.00 O ATOM 1136 CB GLU A 71 -1.616 -15.408 1.669 1.00 0.00 C ATOM 1137 CG GLU A 71 -0.107 -15.565 1.589 1.00 0.00 C ATOM 1138 CD GLU A 71 0.333 -17.015 1.654 1.00 0.00 C ATOM 1139 OE1 GLU A 71 0.161 -17.734 0.648 1.00 0.00 O ATOM 1140 OE2 GLU A 71 0.849 -17.431 2.713 1.00 0.00 O ATOM 0 H GLU A 71 -4.074 -14.567 1.840 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.477 -13.631 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.006 -16.102 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.053 -15.689 0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.252 -15.122 0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.356 -15.012 2.406 1.00 0.00 H new ATOM 1147 N LEU A 72 -1.162 -11.942 1.095 1.00 0.00 N ATOM 1148 CA LEU A 72 -0.874 -10.966 0.049 1.00 0.00 C ATOM 1149 C LEU A 72 0.623 -10.684 -0.035 1.00 0.00 C ATOM 1150 O LEU A 72 1.226 -10.186 0.916 1.00 0.00 O ATOM 1151 CB LEU A 72 -1.636 -9.666 0.313 1.00 0.00 C ATOM 1152 CG LEU A 72 -1.563 -8.610 -0.789 1.00 0.00 C ATOM 1153 CD1 LEU A 72 -2.307 -9.080 -2.030 1.00 0.00 C ATOM 1154 CD2 LEU A 72 -2.128 -7.285 -0.297 1.00 0.00 C ATOM 0 H LEU A 72 -0.805 -11.690 2.017 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.200 -11.384 -0.903 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.684 -9.911 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.256 -9.227 1.235 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.516 -8.461 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.244 -8.315 -2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.858 -10.003 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.353 -9.259 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.068 -6.545 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.169 -7.420 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.552 -6.940 0.562 1.00 0.00 H new ATOM 1166 N PHE A 73 1.216 -11.003 -1.180 1.00 0.00 N ATOM 1167 CA PHE A 73 2.643 -10.783 -1.389 1.00 0.00 C ATOM 1168 C PHE A 73 3.470 -11.590 -0.394 1.00 0.00 C ATOM 1169 O PHE A 73 4.502 -11.129 0.091 1.00 0.00 O ATOM 1170 CB PHE A 73 2.975 -9.295 -1.257 1.00 0.00 C ATOM 1171 CG PHE A 73 2.770 -8.520 -2.527 1.00 0.00 C ATOM 1172 CD1 PHE A 73 1.574 -8.605 -3.221 1.00 0.00 C ATOM 1173 CD2 PHE A 73 3.774 -7.706 -3.028 1.00 0.00 C ATOM 1174 CE1 PHE A 73 1.382 -7.892 -4.390 1.00 0.00 C ATOM 1175 CE2 PHE A 73 3.588 -6.991 -4.196 1.00 0.00 C ATOM 1176 CZ PHE A 73 2.391 -7.086 -4.878 1.00 0.00 C ATOM 0 H PHE A 73 0.731 -11.415 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 73 2.893 -11.117 -2.396 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.356 -8.861 -0.472 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.012 -9.189 -0.940 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.782 -9.236 -2.844 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.713 -7.630 -2.499 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.444 -7.966 -4.921 1.00 0.00 H new ATOM 0 HE2 PHE A 73 4.378 -6.359 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.244 -6.530 -5.792 1.00 0.00 H new ATOM 1186 N GLY A 74 3.007 -12.800 -0.093 1.00 0.00 N ATOM 1187 CA GLY A 74 3.715 -13.653 0.844 1.00 0.00 C ATOM 1188 C GLY A 74 3.644 -13.136 2.267 1.00 0.00 C ATOM 1189 O GLY A 74 4.503 -13.448 3.091 1.00 0.00 O ATOM 0 H GLY A 74 2.155 -13.204 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.295 -14.658 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.759 -13.732 0.541 1.00 0.00 H new ATOM 1193 N ARG A 75 2.618 -12.343 2.555 1.00 0.00 N ATOM 1194 CA ARG A 75 2.440 -11.779 3.888 1.00 0.00 C ATOM 1195 C ARG A 75 0.996 -11.937 4.357 1.00 0.00 C ATOM 1196 O ARG A 75 0.102 -12.227 3.562 1.00 0.00 O ATOM 1197 CB ARG A 75 2.830 -10.300 3.896 1.00 0.00 C ATOM 1198 CG ARG A 75 4.294 -10.055 3.567 1.00 0.00 C ATOM 1199 CD ARG A 75 4.509 -8.668 2.981 1.00 0.00 C ATOM 1200 NE ARG A 75 5.926 -8.359 2.810 1.00 0.00 N ATOM 1201 CZ ARG A 75 6.740 -8.065 3.818 1.00 0.00 C ATOM 1202 NH1 ARG A 75 6.280 -8.041 5.061 1.00 0.00 N ATOM 1203 NH2 ARG A 75 8.018 -7.796 3.583 1.00 0.00 N ATOM 0 H ARG A 75 1.897 -12.076 1.884 1.00 0.00 H new ATOM 0 HA ARG A 75 3.089 -12.323 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.210 -9.765 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.612 -9.881 4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.895 -10.167 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.640 -10.808 2.859 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.004 -8.600 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.052 -7.924 3.634 1.00 0.00 H new ATOM 0 HE ARG A 75 6.312 -8.369 1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.299 -8.249 5.246 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.907 -7.815 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.376 -7.815 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.642 -7.570 4.357 1.00 0.00 H new ATOM 1217 N THR A 76 0.776 -11.745 5.654 1.00 0.00 N ATOM 1218 CA THR A 76 -0.557 -11.868 6.229 1.00 0.00 C ATOM 1219 C THR A 76 -1.144 -10.499 6.555 1.00 0.00 C ATOM 1220 O THR A 76 -0.826 -9.907 7.587 1.00 0.00 O ATOM 1221 CB THR A 76 -0.540 -12.724 7.510 1.00 0.00 C ATOM 1222 OG1 THR A 76 0.134 -13.963 7.261 1.00 0.00 O ATOM 1223 CG2 THR A 76 -1.954 -12.999 7.996 1.00 0.00 C ATOM 0 H THR A 76 1.504 -11.504 6.326 1.00 0.00 H new ATOM 0 HA THR A 76 -1.179 -12.359 5.481 1.00 0.00 H new ATOM 0 HB THR A 76 -0.009 -12.170 8.284 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.142 -14.501 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.916 -13.605 8.901 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.455 -12.055 8.212 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.506 -13.534 7.224 1.00 0.00 H new ATOM 1231 N ILE A 77 -2.001 -10.002 5.670 1.00 0.00 N ATOM 1232 CA ILE A 77 -2.633 -8.703 5.865 1.00 0.00 C ATOM 1233 C ILE A 77 -3.915 -8.833 6.679 1.00 0.00 C ATOM 1234 O ILE A 77 -4.537 -9.895 6.713 1.00 0.00 O ATOM 1235 CB ILE A 77 -2.958 -8.028 4.520 1.00 0.00 C ATOM 1236 CG1 ILE A 77 -3.876 -8.922 3.684 1.00 0.00 C ATOM 1237 CG2 ILE A 77 -1.678 -7.716 3.760 1.00 0.00 C ATOM 1238 CD1 ILE A 77 -4.608 -8.180 2.588 1.00 0.00 C ATOM 0 H ILE A 77 -2.274 -10.479 4.811 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.921 -8.084 6.410 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.477 -7.090 4.718 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.284 -9.721 3.238 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.606 -9.395 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.925 -7.239 2.811 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.057 -7.044 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.133 -8.641 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.240 -8.876 2.036 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -5.227 -7.399 3.029 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -3.885 -7.729 1.908 1.00 0.00 H new ATOM 1250 N ARG A 78 -4.307 -7.744 7.334 1.00 0.00 N ATOM 1251 CA ARG A 78 -5.516 -7.736 8.148 1.00 0.00 C ATOM 1252 C ARG A 78 -6.568 -6.806 7.550 1.00 0.00 C ATOM 1253 O ARG A 78 -6.263 -5.682 7.150 1.00 0.00 O ATOM 1254 CB ARG A 78 -5.191 -7.302 9.578 1.00 0.00 C ATOM 1255 CG ARG A 78 -4.830 -8.457 10.498 1.00 0.00 C ATOM 1256 CD ARG A 78 -6.065 -9.054 11.154 1.00 0.00 C ATOM 1257 NE ARG A 78 -5.749 -9.718 12.415 1.00 0.00 N ATOM 1258 CZ ARG A 78 -5.490 -9.067 13.544 1.00 0.00 C ATOM 1259 NH1 ARG A 78 -5.512 -7.741 13.568 1.00 0.00 N ATOM 1260 NH2 ARG A 78 -5.210 -9.742 14.652 1.00 0.00 N ATOM 0 H ARG A 78 -3.805 -6.857 7.316 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.918 -8.749 8.165 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.362 -6.595 9.554 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.050 -6.773 9.992 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.310 -9.228 9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.140 -8.109 11.267 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.797 -8.266 11.333 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.527 -9.769 10.474 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.726 -10.738 12.430 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.728 -7.219 12.719 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.313 -7.243 14.436 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.193 -10.762 14.637 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.011 -9.241 15.518 1.00 0.00 H new ATOM 1274 N VAL A 79 -7.808 -7.283 7.491 1.00 0.00 N ATOM 1275 CA VAL A 79 -8.905 -6.495 6.942 1.00 0.00 C ATOM 1276 C VAL A 79 -10.043 -6.364 7.947 1.00 0.00 C ATOM 1277 O VAL A 79 -10.426 -7.336 8.597 1.00 0.00 O ATOM 1278 CB VAL A 79 -9.450 -7.119 5.644 1.00 0.00 C ATOM 1279 CG1 VAL A 79 -10.545 -6.246 5.050 1.00 0.00 C ATOM 1280 CG2 VAL A 79 -8.325 -7.333 4.643 1.00 0.00 C ATOM 0 H VAL A 79 -8.077 -8.211 7.817 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.504 -5.506 6.720 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.883 -8.090 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.918 -6.703 4.133 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.362 -6.149 5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.141 -5.259 4.825 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.728 -7.775 3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.860 -6.375 4.408 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.579 -8.002 5.072 1.00 0.00 H new ATOM 1290 N ASN A 80 -10.582 -5.155 8.069 1.00 0.00 N ATOM 1291 CA ASN A 80 -11.678 -4.896 8.996 1.00 0.00 C ATOM 1292 C ASN A 80 -12.279 -3.515 8.754 1.00 0.00 C ATOM 1293 O ASN A 80 -11.650 -2.649 8.144 1.00 0.00 O ATOM 1294 CB ASN A 80 -11.188 -5.006 10.441 1.00 0.00 C ATOM 1295 CG ASN A 80 -10.328 -3.826 10.851 1.00 0.00 C ATOM 1296 OD1 ASN A 80 -9.104 -3.862 10.726 1.00 0.00 O ATOM 1297 ND2 ASN A 80 -10.967 -2.771 11.344 1.00 0.00 N ATOM 0 H ASN A 80 -10.278 -4.339 7.538 1.00 0.00 H new ATOM 0 HA ASN A 80 -12.451 -5.645 8.824 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -12.047 -5.076 11.109 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.617 -5.927 10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.441 -1.947 11.637 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -11.983 -2.785 11.430 1.00 0.00 H new ATOM 1304 N LEU A 81 -13.501 -3.315 9.237 1.00 0.00 N ATOM 1305 CA LEU A 81 -14.189 -2.039 9.075 1.00 0.00 C ATOM 1306 C LEU A 81 -13.301 -0.882 9.520 1.00 0.00 C ATOM 1307 O LEU A 81 -12.615 -0.969 10.538 1.00 0.00 O ATOM 1308 CB LEU A 81 -15.492 -2.034 9.875 1.00 0.00 C ATOM 1309 CG LEU A 81 -16.587 -2.980 9.380 1.00 0.00 C ATOM 1310 CD1 LEU A 81 -17.737 -3.032 10.374 1.00 0.00 C ATOM 1311 CD2 LEU A 81 -17.084 -2.549 8.008 1.00 0.00 C ATOM 0 H LEU A 81 -14.035 -4.020 9.744 1.00 0.00 H new ATOM 0 HA LEU A 81 -14.419 -1.910 8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -15.261 -2.288 10.910 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -15.890 -1.019 9.877 1.00 0.00 H new ATOM 0 HG LEU A 81 -16.164 -3.981 9.293 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -18.507 -3.710 10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -17.370 -3.389 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -18.160 -2.034 10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -17.863 -3.233 7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -17.490 -1.539 8.069 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -16.256 -2.565 7.299 1.00 0.00 H new ATOM 1323 N ALA A 82 -13.321 0.203 8.752 1.00 0.00 N ATOM 1324 CA ALA A 82 -12.521 1.379 9.070 1.00 0.00 C ATOM 1325 C ALA A 82 -12.817 1.879 10.480 1.00 0.00 C ATOM 1326 O ALA A 82 -13.957 2.210 10.806 1.00 0.00 O ATOM 1327 CB ALA A 82 -12.776 2.481 8.052 1.00 0.00 C ATOM 0 H ALA A 82 -13.883 0.291 7.905 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.469 1.096 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.172 3.354 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.508 2.126 7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.831 2.754 8.068 1.00 0.00 H new