USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 SER OG : rot -148:sc= 0.961 USER MOD Set 1.2: A 136 LYS NZ :NH3+ 141:sc= -0.22 (180deg=-3.15!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -125:sc= -0.466 (180deg=-3.11!) USER MOD Single : A 93 LYS NZ :NH3+ -107:sc= -0.229 (180deg=-3.36!) USER MOD Single : A 96 LYS NZ :NH3+ -167:sc=-0.00153 (180deg=-0.128) USER MOD Single : A 101 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1.5) USER MOD Single : A 102 TYR OH : rot 130:sc= 1.13 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= -0.0771 (180deg=-0.933) USER MOD Single : A 120 SER OG : rot 87:sc= 0.575 USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 170:sc=-0.00154 (180deg=-0.0798) USER MOD ----------------------------------------------------------------- ATOM 187 N THR A 84 8.514 -6.062 6.369 1.00 0.00 N ATOM 188 CA THR A 84 8.229 -7.482 6.206 1.00 0.00 C ATOM 189 C THR A 84 8.810 -8.013 4.900 1.00 0.00 C ATOM 190 O THR A 84 9.149 -9.191 4.793 1.00 0.00 O ATOM 191 CB THR A 84 6.714 -7.758 6.230 1.00 0.00 C ATOM 192 OG1 THR A 84 6.471 -9.166 6.139 1.00 0.00 O ATOM 193 CG2 THR A 84 6.015 -7.042 5.085 1.00 0.00 C ATOM 0 HA THR A 84 8.698 -7.996 7.045 1.00 0.00 H new ATOM 0 HB THR A 84 6.313 -7.381 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.506 -9.333 6.156 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.946 -7.252 5.123 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.177 -5.968 5.175 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.420 -7.392 4.136 1.00 0.00 H new ATOM 201 N PHE A 85 8.922 -7.135 3.908 1.00 0.00 N ATOM 202 CA PHE A 85 9.462 -7.516 2.608 1.00 0.00 C ATOM 203 C PHE A 85 8.562 -8.540 1.924 1.00 0.00 C ATOM 204 O PHE A 85 9.041 -9.519 1.352 1.00 0.00 O ATOM 205 CB PHE A 85 10.874 -8.085 2.766 1.00 0.00 C ATOM 206 CG PHE A 85 11.623 -8.198 1.469 1.00 0.00 C ATOM 207 CD1 PHE A 85 10.993 -7.931 0.264 1.00 0.00 C ATOM 208 CD2 PHE A 85 12.957 -8.570 1.454 1.00 0.00 C ATOM 209 CE1 PHE A 85 11.679 -8.033 -0.931 1.00 0.00 C ATOM 210 CE2 PHE A 85 13.649 -8.674 0.262 1.00 0.00 C ATOM 211 CZ PHE A 85 13.009 -8.406 -0.932 1.00 0.00 C ATOM 0 H PHE A 85 8.646 -6.156 3.980 1.00 0.00 H new ATOM 0 HA PHE A 85 9.505 -6.623 1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 85 11.439 -7.450 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 85 10.810 -9.071 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 85 9.953 -7.640 0.259 1.00 0.00 H new ATOM 0 HD2 PHE A 85 13.463 -8.781 2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 85 11.176 -7.821 -1.863 1.00 0.00 H new ATOM 0 HE2 PHE A 85 14.689 -8.965 0.264 1.00 0.00 H new ATOM 0 HZ PHE A 85 13.547 -8.488 -1.865 1.00 0.00 H new ATOM 221 N GLU A 86 7.255 -8.307 1.988 1.00 0.00 N ATOM 222 CA GLU A 86 6.287 -9.210 1.376 1.00 0.00 C ATOM 223 C GLU A 86 5.333 -8.447 0.462 1.00 0.00 C ATOM 224 O GLU A 86 4.828 -8.991 -0.521 1.00 0.00 O ATOM 225 CB GLU A 86 5.494 -9.951 2.455 1.00 0.00 C ATOM 226 CG GLU A 86 6.191 -11.198 2.974 1.00 0.00 C ATOM 227 CD GLU A 86 5.997 -12.395 2.065 1.00 0.00 C ATOM 228 OE1 GLU A 86 4.856 -12.614 1.608 1.00 0.00 O ATOM 229 OE2 GLU A 86 6.987 -13.114 1.810 1.00 0.00 O ATOM 0 H GLU A 86 6.842 -7.501 2.457 1.00 0.00 H new ATOM 0 HA GLU A 86 6.835 -9.936 0.775 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.311 -9.274 3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.521 -10.230 2.051 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.257 -10.996 3.080 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.811 -11.435 3.968 1.00 0.00 H new ATOM 236 N LEU A 87 5.090 -7.183 0.794 1.00 0.00 N ATOM 237 CA LEU A 87 4.196 -6.344 0.004 1.00 0.00 C ATOM 238 C LEU A 87 4.225 -6.750 -1.466 1.00 0.00 C ATOM 239 O LEU A 87 3.191 -6.777 -2.135 1.00 0.00 O ATOM 240 CB LEU A 87 4.588 -4.872 0.147 1.00 0.00 C ATOM 241 CG LEU A 87 5.169 -4.460 1.500 1.00 0.00 C ATOM 242 CD1 LEU A 87 4.394 -5.112 2.634 1.00 0.00 C ATOM 243 CD2 LEU A 87 6.644 -4.826 1.580 1.00 0.00 C ATOM 0 H LEU A 87 5.499 -6.718 1.604 1.00 0.00 H new ATOM 0 HA LEU A 87 3.182 -6.482 0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.318 -4.634 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.706 -4.261 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 87 5.077 -3.378 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.822 -4.807 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.350 -4.801 2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.454 -6.196 2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.041 -4.526 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.759 -5.903 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.190 -4.312 0.789 1.00 0.00 H new ATOM 255 N LYS A 88 5.416 -7.066 -1.964 1.00 0.00 N ATOM 256 CA LYS A 88 5.581 -7.474 -3.354 1.00 0.00 C ATOM 257 C LYS A 88 4.545 -8.525 -3.739 1.00 0.00 C ATOM 258 O LYS A 88 4.719 -9.712 -3.465 1.00 0.00 O ATOM 259 CB LYS A 88 6.991 -8.024 -3.581 1.00 0.00 C ATOM 260 CG LYS A 88 7.540 -7.735 -4.967 1.00 0.00 C ATOM 261 CD LYS A 88 7.007 -8.720 -5.995 1.00 0.00 C ATOM 262 CE LYS A 88 6.881 -8.078 -7.368 1.00 0.00 C ATOM 263 NZ LYS A 88 8.140 -8.199 -8.154 1.00 0.00 N ATOM 0 H LYS A 88 6.282 -7.047 -1.425 1.00 0.00 H new ATOM 0 HA LYS A 88 5.434 -6.597 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.663 -7.597 -2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.982 -9.102 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.272 -6.720 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.629 -7.784 -4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.672 -9.581 -6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.033 -9.091 -5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.064 -8.549 -7.915 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.623 -7.025 -7.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.014 -7.749 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.914 -7.728 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.373 -9.204 -8.285 1.00 0.00 H new ATOM 277 N GLY A 89 3.467 -8.081 -4.379 1.00 0.00 N ATOM 278 CA GLY A 89 2.420 -8.996 -4.793 1.00 0.00 C ATOM 279 C GLY A 89 1.148 -8.826 -3.986 1.00 0.00 C ATOM 280 O GLY A 89 0.048 -9.054 -4.490 1.00 0.00 O ATOM 0 H GLY A 89 3.301 -7.103 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.200 -8.838 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.777 -10.021 -4.692 1.00 0.00 H new ATOM 284 N LYS A 90 1.297 -8.425 -2.728 1.00 0.00 N ATOM 285 CA LYS A 90 0.152 -8.224 -1.848 1.00 0.00 C ATOM 286 C LYS A 90 -0.695 -7.045 -2.317 1.00 0.00 C ATOM 287 O LYS A 90 -0.229 -6.198 -3.079 1.00 0.00 O ATOM 288 CB LYS A 90 0.622 -7.989 -0.411 1.00 0.00 C ATOM 289 CG LYS A 90 1.373 -9.167 0.184 1.00 0.00 C ATOM 290 CD LYS A 90 1.390 -9.109 1.703 1.00 0.00 C ATOM 291 CE LYS A 90 2.269 -7.974 2.207 1.00 0.00 C ATOM 292 NZ LYS A 90 2.535 -8.086 3.668 1.00 0.00 N ATOM 0 H LYS A 90 2.200 -8.233 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.461 -9.124 -1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.265 -7.109 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.243 -7.768 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.907 -10.098 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.396 -9.175 -0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.374 -8.976 2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.754 -10.057 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.214 -7.978 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.786 -7.020 1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.252 -7.204 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.990 -8.880 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.550 -8.252 3.824 1.00 0.00 H new ATOM 306 N VAL A 91 -1.940 -6.996 -1.855 1.00 0.00 N ATOM 307 CA VAL A 91 -2.851 -5.919 -2.225 1.00 0.00 C ATOM 308 C VAL A 91 -3.111 -4.990 -1.045 1.00 0.00 C ATOM 309 O VAL A 91 -3.431 -5.440 0.054 1.00 0.00 O ATOM 310 CB VAL A 91 -4.195 -6.471 -2.736 1.00 0.00 C ATOM 311 CG1 VAL A 91 -5.149 -5.333 -3.065 1.00 0.00 C ATOM 312 CG2 VAL A 91 -3.977 -7.363 -3.949 1.00 0.00 C ATOM 0 H VAL A 91 -2.341 -7.690 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.369 -5.358 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.645 -7.073 -1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.093 -5.742 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.329 -4.738 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.710 -4.702 -3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.937 -7.745 -4.297 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.505 -6.786 -4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.332 -8.198 -3.675 1.00 0.00 H new ATOM 322 N GLY A 92 -2.972 -3.688 -1.281 1.00 0.00 N ATOM 323 CA GLY A 92 -3.197 -2.715 -0.229 1.00 0.00 C ATOM 324 C GLY A 92 -4.382 -1.815 -0.515 1.00 0.00 C ATOM 325 O GLY A 92 -5.243 -2.148 -1.330 1.00 0.00 O ATOM 0 H GLY A 92 -2.708 -3.291 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.360 -3.236 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.302 -2.104 -0.106 1.00 0.00 H new ATOM 329 N LYS A 93 -4.429 -0.670 0.158 1.00 0.00 N ATOM 330 CA LYS A 93 -5.518 0.282 -0.026 1.00 0.00 C ATOM 331 C LYS A 93 -4.980 1.702 -0.169 1.00 0.00 C ATOM 332 O LYS A 93 -3.946 2.046 0.404 1.00 0.00 O ATOM 333 CB LYS A 93 -6.491 0.210 1.153 1.00 0.00 C ATOM 334 CG LYS A 93 -7.699 1.119 1.001 1.00 0.00 C ATOM 335 CD LYS A 93 -7.458 2.478 1.637 1.00 0.00 C ATOM 336 CE LYS A 93 -7.920 2.504 3.086 1.00 0.00 C ATOM 337 NZ LYS A 93 -6.832 2.110 4.023 1.00 0.00 N ATOM 0 H LYS A 93 -3.725 -0.379 0.836 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.047 0.018 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.833 -0.818 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -5.961 0.474 2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -7.928 1.247 -0.057 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -8.569 0.650 1.461 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -6.397 2.721 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -7.987 3.245 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.271 3.505 3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -8.767 1.829 3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -7.022 1.157 4.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.923 2.110 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.791 2.787 4.811 1.00 0.00 H new ATOM 351 N VAL A 94 -5.689 2.524 -0.936 1.00 0.00 N ATOM 352 CA VAL A 94 -5.285 3.908 -1.152 1.00 0.00 C ATOM 353 C VAL A 94 -5.863 4.824 -0.079 1.00 0.00 C ATOM 354 O VAL A 94 -7.074 5.032 -0.012 1.00 0.00 O ATOM 355 CB VAL A 94 -5.730 4.414 -2.537 1.00 0.00 C ATOM 356 CG1 VAL A 94 -5.981 5.914 -2.503 1.00 0.00 C ATOM 357 CG2 VAL A 94 -4.692 4.063 -3.592 1.00 0.00 C ATOM 0 H VAL A 94 -6.547 2.255 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.197 3.931 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.665 3.919 -2.801 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -6.294 6.253 -3.490 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -6.764 6.136 -1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.065 6.430 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.023 4.428 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -3.740 4.528 -3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.568 2.981 -3.634 1.00 0.00 H new ATOM 367 N VAL A 95 -4.987 5.370 0.759 1.00 0.00 N ATOM 368 CA VAL A 95 -5.410 6.265 1.830 1.00 0.00 C ATOM 369 C VAL A 95 -5.234 7.725 1.426 1.00 0.00 C ATOM 370 O VAL A 95 -6.066 8.574 1.747 1.00 0.00 O ATOM 371 CB VAL A 95 -4.620 6.003 3.126 1.00 0.00 C ATOM 372 CG1 VAL A 95 -4.993 4.651 3.714 1.00 0.00 C ATOM 373 CG2 VAL A 95 -3.124 6.086 2.863 1.00 0.00 C ATOM 0 H VAL A 95 -3.981 5.208 0.717 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.466 6.065 2.012 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.881 6.772 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.425 4.483 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.059 4.634 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.763 3.865 2.995 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.581 5.898 3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.843 5.339 2.120 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.875 7.080 2.491 1.00 0.00 H new ATOM 383 N LYS A 96 -4.145 8.011 0.721 1.00 0.00 N ATOM 384 CA LYS A 96 -3.859 9.368 0.271 1.00 0.00 C ATOM 385 C LYS A 96 -2.971 9.354 -0.969 1.00 0.00 C ATOM 386 O LYS A 96 -2.218 8.406 -1.194 1.00 0.00 O ATOM 387 CB LYS A 96 -3.181 10.165 1.388 1.00 0.00 C ATOM 388 CG LYS A 96 -3.496 11.650 1.353 1.00 0.00 C ATOM 389 CD LYS A 96 -2.446 12.425 0.575 1.00 0.00 C ATOM 390 CE LYS A 96 -1.184 12.634 1.398 1.00 0.00 C ATOM 391 NZ LYS A 96 -1.388 13.635 2.481 1.00 0.00 N ATOM 0 H LYS A 96 -3.445 7.321 0.449 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.804 9.846 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -3.490 9.759 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.102 10.029 1.316 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -4.475 11.805 0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.553 12.035 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -2.200 11.887 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.852 13.392 0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.874 11.685 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.376 12.964 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.466 13.913 2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.866 14.473 2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.974 13.219 3.233 1.00 0.00 H new ATOM 405 N ILE A 97 -3.062 10.411 -1.769 1.00 0.00 N ATOM 406 CA ILE A 97 -2.265 10.520 -2.984 1.00 0.00 C ATOM 407 C ILE A 97 -1.556 11.868 -3.057 1.00 0.00 C ATOM 408 O ILE A 97 -2.114 12.896 -2.675 1.00 0.00 O ATOM 409 CB ILE A 97 -3.132 10.341 -4.244 1.00 0.00 C ATOM 410 CG1 ILE A 97 -3.642 8.901 -4.338 1.00 0.00 C ATOM 411 CG2 ILE A 97 -2.340 10.709 -5.489 1.00 0.00 C ATOM 412 CD1 ILE A 97 -4.975 8.687 -3.656 1.00 0.00 C ATOM 0 H ILE A 97 -3.680 11.204 -1.597 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.523 9.723 -2.947 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.991 11.008 -4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.732 8.624 -5.388 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.904 8.233 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -2.967 10.577 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.021 11.749 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -1.464 10.065 -5.567 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.275 7.645 -3.762 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -4.886 8.933 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.726 9.329 -4.116 1.00 0.00 H new ATOM 424 N ALA A 98 -0.322 11.856 -3.551 1.00 0.00 N ATOM 425 CA ALA A 98 0.462 13.078 -3.678 1.00 0.00 C ATOM 426 C ALA A 98 1.493 12.955 -4.795 1.00 0.00 C ATOM 427 O ALA A 98 2.202 11.954 -4.890 1.00 0.00 O ATOM 428 CB ALA A 98 1.147 13.404 -2.359 1.00 0.00 C ATOM 0 H ALA A 98 0.156 11.013 -3.870 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.217 13.891 -3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.729 14.319 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 98 0.394 13.543 -1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.809 12.584 -2.080 1.00 0.00 H new ATOM 434 N GLU A 99 1.570 13.980 -5.639 1.00 0.00 N ATOM 435 CA GLU A 99 2.513 13.984 -6.750 1.00 0.00 C ATOM 436 C GLU A 99 3.908 13.581 -6.282 1.00 0.00 C ATOM 437 O GLU A 99 4.575 12.762 -6.915 1.00 0.00 O ATOM 438 CB GLU A 99 2.562 15.368 -7.401 1.00 0.00 C ATOM 439 CG GLU A 99 2.886 15.332 -8.885 1.00 0.00 C ATOM 440 CD GLU A 99 2.030 14.336 -9.645 1.00 0.00 C ATOM 441 OE1 GLU A 99 0.790 14.400 -9.514 1.00 0.00 O ATOM 442 OE2 GLU A 99 2.601 13.494 -10.369 1.00 0.00 O ATOM 0 H GLU A 99 0.991 14.817 -5.574 1.00 0.00 H new ATOM 0 HA GLU A 99 2.171 13.256 -7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.600 15.861 -7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.309 15.975 -6.889 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.743 16.326 -9.309 1.00 0.00 H new ATOM 0 HG3 GLU A 99 3.938 15.077 -9.018 1.00 0.00 H new ATOM 449 N ASP A 100 4.342 14.161 -5.168 1.00 0.00 N ATOM 450 CA ASP A 100 5.657 13.862 -4.613 1.00 0.00 C ATOM 451 C ASP A 100 5.750 12.398 -4.194 1.00 0.00 C ATOM 452 O ASP A 100 6.807 11.775 -4.307 1.00 0.00 O ATOM 453 CB ASP A 100 5.947 14.768 -3.415 1.00 0.00 C ATOM 454 CG ASP A 100 7.432 14.962 -3.181 1.00 0.00 C ATOM 455 OD1 ASP A 100 8.078 15.649 -4.001 1.00 0.00 O ATOM 456 OD2 ASP A 100 7.949 14.427 -2.178 1.00 0.00 O ATOM 0 H ASP A 100 3.802 14.841 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 100 6.401 14.048 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.478 15.739 -3.575 1.00 0.00 H new ATOM 0 HB3 ASP A 100 5.494 14.339 -2.521 1.00 0.00 H new ATOM 461 N HIS A 101 4.639 11.856 -3.708 1.00 0.00 N ATOM 462 CA HIS A 101 4.595 10.465 -3.271 1.00 0.00 C ATOM 463 C HIS A 101 3.169 10.051 -2.917 1.00 0.00 C ATOM 464 O HIS A 101 2.352 10.881 -2.519 1.00 0.00 O ATOM 465 CB HIS A 101 5.512 10.257 -2.066 1.00 0.00 C ATOM 466 CG HIS A 101 5.031 10.940 -0.822 1.00 0.00 C ATOM 467 ND1 HIS A 101 5.170 12.294 -0.605 1.00 0.00 N ATOM 468 CD2 HIS A 101 4.407 10.447 0.273 1.00 0.00 C ATOM 469 CE1 HIS A 101 4.655 12.605 0.571 1.00 0.00 C ATOM 470 NE2 HIS A 101 4.184 11.502 1.124 1.00 0.00 N ATOM 0 H HIS A 101 3.757 12.358 -3.607 1.00 0.00 H new ATOM 0 HA HIS A 101 4.942 9.841 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.605 9.189 -1.871 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.509 10.625 -2.310 1.00 0.00 H new ATOM 0 HD2 HIS A 101 4.135 9.416 0.446 1.00 0.00 H new ATOM 0 HE1 HIS A 101 4.624 13.593 1.006 1.00 0.00 H new ATOM 0 HE2 HIS A 101 3.729 11.443 2.035 1.00 0.00 H new ATOM 479 N TYR A 102 2.878 8.764 -3.066 1.00 0.00 N ATOM 480 CA TYR A 102 1.551 8.240 -2.766 1.00 0.00 C ATOM 481 C TYR A 102 1.559 7.449 -1.462 1.00 0.00 C ATOM 482 O TYR A 102 2.529 6.758 -1.147 1.00 0.00 O ATOM 483 CB TYR A 102 1.058 7.353 -3.911 1.00 0.00 C ATOM 484 CG TYR A 102 1.097 8.031 -5.262 1.00 0.00 C ATOM 485 CD1 TYR A 102 2.295 8.479 -5.802 1.00 0.00 C ATOM 486 CD2 TYR A 102 -0.066 8.222 -5.998 1.00 0.00 C ATOM 487 CE1 TYR A 102 2.335 9.100 -7.036 1.00 0.00 C ATOM 488 CE2 TYR A 102 -0.035 8.840 -7.234 1.00 0.00 C ATOM 489 CZ TYR A 102 1.167 9.277 -7.748 1.00 0.00 C ATOM 490 OH TYR A 102 1.203 9.893 -8.978 1.00 0.00 O ATOM 0 H TYR A 102 3.544 8.064 -3.393 1.00 0.00 H new ATOM 0 HA TYR A 102 0.872 9.085 -2.653 1.00 0.00 H new ATOM 0 HB2 TYR A 102 1.668 6.451 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.036 7.038 -3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 102 3.212 8.340 -5.248 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.010 7.882 -5.598 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.275 9.445 -7.440 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.948 8.980 -7.794 1.00 0.00 H new ATOM 0 HH TYR A 102 0.723 9.344 -9.633 1.00 0.00 H new ATOM 500 N LEU A 103 0.472 7.555 -0.706 1.00 0.00 N ATOM 501 CA LEU A 103 0.351 6.849 0.565 1.00 0.00 C ATOM 502 C LEU A 103 -0.526 5.610 0.419 1.00 0.00 C ATOM 503 O LEU A 103 -1.752 5.708 0.356 1.00 0.00 O ATOM 504 CB LEU A 103 -0.230 7.777 1.633 1.00 0.00 C ATOM 505 CG LEU A 103 0.784 8.582 2.447 1.00 0.00 C ATOM 506 CD1 LEU A 103 1.865 7.669 3.005 1.00 0.00 C ATOM 507 CD2 LEU A 103 1.400 9.681 1.594 1.00 0.00 C ATOM 0 H LEU A 103 -0.339 8.123 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 103 1.347 6.531 0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.912 8.475 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.825 7.177 2.322 1.00 0.00 H new ATOM 0 HG LEU A 103 0.263 9.048 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.578 8.259 3.581 1.00 0.00 H new ATOM 0 HD12 LEU A 103 1.410 6.918 3.651 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.384 7.175 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.119 10.244 2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.907 9.236 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.616 10.352 1.243 1.00 0.00 H new ATOM 519 N VAL A 104 0.109 4.443 0.367 1.00 0.00 N ATOM 520 CA VAL A 104 -0.614 3.184 0.232 1.00 0.00 C ATOM 521 C VAL A 104 -0.526 2.360 1.511 1.00 0.00 C ATOM 522 O VAL A 104 0.563 1.992 1.950 1.00 0.00 O ATOM 523 CB VAL A 104 -0.071 2.349 -0.942 1.00 0.00 C ATOM 524 CG1 VAL A 104 -1.158 1.443 -1.501 1.00 0.00 C ATOM 525 CG2 VAL A 104 0.488 3.256 -2.028 1.00 0.00 C ATOM 0 H VAL A 104 1.123 4.344 0.416 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.656 3.437 0.037 1.00 0.00 H new ATOM 0 HB VAL A 104 0.739 1.720 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -0.756 0.861 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -1.507 0.768 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -1.991 2.050 -1.855 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.867 2.649 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.301 3.912 -2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 104 1.299 3.858 -1.618 1.00 0.00 H new ATOM 535 N GLU A 105 -1.681 2.074 2.105 1.00 0.00 N ATOM 536 CA GLU A 105 -1.734 1.293 3.335 1.00 0.00 C ATOM 537 C GLU A 105 -1.729 -0.203 3.031 1.00 0.00 C ATOM 538 O GLU A 105 -2.749 -0.772 2.644 1.00 0.00 O ATOM 539 CB GLU A 105 -2.982 1.656 4.143 1.00 0.00 C ATOM 540 CG GLU A 105 -3.200 0.768 5.356 1.00 0.00 C ATOM 541 CD GLU A 105 -4.587 0.924 5.951 1.00 0.00 C ATOM 542 OE1 GLU A 105 -4.945 2.058 6.333 1.00 0.00 O ATOM 543 OE2 GLU A 105 -5.314 -0.088 6.033 1.00 0.00 O ATOM 0 H GLU A 105 -2.591 2.371 1.754 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.847 1.530 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.904 2.692 4.471 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.856 1.592 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -3.045 -0.273 5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.454 1.006 6.115 1.00 0.00 H new ATOM 550 N VAL A 106 -0.572 -0.833 3.208 1.00 0.00 N ATOM 551 CA VAL A 106 -0.432 -2.261 2.953 1.00 0.00 C ATOM 552 C VAL A 106 -0.397 -3.051 4.257 1.00 0.00 C ATOM 553 O VAL A 106 0.512 -2.885 5.069 1.00 0.00 O ATOM 554 CB VAL A 106 0.844 -2.566 2.146 1.00 0.00 C ATOM 555 CG1 VAL A 106 0.914 -4.044 1.796 1.00 0.00 C ATOM 556 CG2 VAL A 106 0.897 -1.709 0.891 1.00 0.00 C ATOM 0 H VAL A 106 0.282 -0.376 3.527 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.302 -2.565 2.370 1.00 0.00 H new ATOM 0 HB VAL A 106 1.710 -2.322 2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.822 -4.240 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.926 -4.635 2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.044 -4.318 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.805 -1.937 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.026 -1.919 0.270 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.898 -0.655 1.170 1.00 0.00 H new ATOM 566 N GLU A 107 -1.392 -3.911 4.449 1.00 0.00 N ATOM 567 CA GLU A 107 -1.475 -4.726 5.655 1.00 0.00 C ATOM 568 C GLU A 107 -1.513 -3.849 6.903 1.00 0.00 C ATOM 569 O GLU A 107 -0.937 -4.193 7.935 1.00 0.00 O ATOM 570 CB GLU A 107 -0.286 -5.687 5.730 1.00 0.00 C ATOM 571 CG GLU A 107 -0.527 -7.010 5.022 1.00 0.00 C ATOM 572 CD GLU A 107 -1.512 -7.895 5.761 1.00 0.00 C ATOM 573 OE1 GLU A 107 -2.421 -7.349 6.420 1.00 0.00 O ATOM 574 OE2 GLU A 107 -1.373 -9.134 5.680 1.00 0.00 O ATOM 0 H GLU A 107 -2.152 -4.061 3.785 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.398 -5.304 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.588 -5.205 5.293 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.053 -5.882 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.901 -6.817 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.420 -7.538 4.914 1.00 0.00 H new ATOM 581 N GLY A 108 -2.196 -2.713 6.801 1.00 0.00 N ATOM 582 CA GLY A 108 -2.297 -1.804 7.927 1.00 0.00 C ATOM 583 C GLY A 108 -1.020 -1.020 8.156 1.00 0.00 C ATOM 584 O GLY A 108 -0.690 -0.675 9.290 1.00 0.00 O ATOM 0 H GLY A 108 -2.681 -2.406 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.120 -1.110 7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.538 -2.370 8.827 1.00 0.00 H new ATOM 588 N ASP A 109 -0.299 -0.739 7.076 1.00 0.00 N ATOM 589 CA ASP A 109 0.950 0.009 7.164 1.00 0.00 C ATOM 590 C ASP A 109 1.140 0.894 5.936 1.00 0.00 C ATOM 591 O ASP A 109 1.334 0.401 4.825 1.00 0.00 O ATOM 592 CB ASP A 109 2.134 -0.949 7.305 1.00 0.00 C ATOM 593 CG ASP A 109 2.317 -1.438 8.729 1.00 0.00 C ATOM 594 OD1 ASP A 109 2.431 -0.589 9.638 1.00 0.00 O ATOM 595 OD2 ASP A 109 2.345 -2.669 8.934 1.00 0.00 O ATOM 0 H ASP A 109 -0.558 -1.018 6.130 1.00 0.00 H new ATOM 0 HA ASP A 109 0.902 0.647 8.046 1.00 0.00 H new ATOM 0 HB2 ASP A 109 1.986 -1.805 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 109 3.044 -0.448 6.976 1.00 0.00 H new ATOM 600 N LYS A 110 1.083 2.205 6.145 1.00 0.00 N ATOM 601 CA LYS A 110 1.248 3.162 5.057 1.00 0.00 C ATOM 602 C LYS A 110 2.617 3.009 4.402 1.00 0.00 C ATOM 603 O LYS A 110 3.627 2.840 5.086 1.00 0.00 O ATOM 604 CB LYS A 110 1.076 4.591 5.575 1.00 0.00 C ATOM 605 CG LYS A 110 -0.349 5.107 5.473 1.00 0.00 C ATOM 606 CD LYS A 110 -0.396 6.626 5.514 1.00 0.00 C ATOM 607 CE LYS A 110 -0.565 7.140 6.935 1.00 0.00 C ATOM 608 NZ LYS A 110 -0.182 8.574 7.055 1.00 0.00 N ATOM 0 H LYS A 110 0.924 2.629 7.059 1.00 0.00 H new ATOM 0 HA LYS A 110 0.481 2.959 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 110 1.395 4.632 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.735 5.254 5.014 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.800 4.753 4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.943 4.701 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.521 7.031 5.086 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -1.221 6.982 4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.602 7.014 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.046 6.543 7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.311 8.887 8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 0.815 8.691 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.782 9.147 6.428 1.00 0.00 H new ATOM 622 N TRP A 111 2.644 3.071 3.076 1.00 0.00 N ATOM 623 CA TRP A 111 3.890 2.941 2.329 1.00 0.00 C ATOM 624 C TRP A 111 4.100 4.137 1.408 1.00 0.00 C ATOM 625 O TRP A 111 3.207 4.969 1.243 1.00 0.00 O ATOM 626 CB TRP A 111 3.887 1.647 1.513 1.00 0.00 C ATOM 627 CG TRP A 111 4.053 0.416 2.352 1.00 0.00 C ATOM 628 CD1 TRP A 111 3.058 -0.374 2.853 1.00 0.00 C ATOM 629 CD2 TRP A 111 5.287 -0.164 2.788 1.00 0.00 C ATOM 630 NE1 TRP A 111 3.600 -1.411 3.574 1.00 0.00 N ATOM 631 CE2 TRP A 111 4.965 -1.305 3.549 1.00 0.00 C ATOM 632 CE3 TRP A 111 6.633 0.167 2.608 1.00 0.00 C ATOM 633 CZ2 TRP A 111 5.940 -2.112 4.129 1.00 0.00 C ATOM 634 CZ3 TRP A 111 7.599 -0.634 3.185 1.00 0.00 C ATOM 635 CH2 TRP A 111 7.249 -1.764 3.937 1.00 0.00 C ATOM 0 H TRP A 111 1.817 3.211 2.495 1.00 0.00 H new ATOM 0 HA TRP A 111 4.712 2.909 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 111 2.951 1.577 0.959 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.690 1.688 0.777 1.00 0.00 H new ATOM 0 HD1 TRP A 111 2.001 -0.208 2.705 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.071 -2.141 4.051 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.913 1.034 2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 5.672 -2.982 4.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.642 -0.385 3.055 1.00 0.00 H new ATOM 0 HH2 TRP A 111 8.028 -2.372 4.373 1.00 0.00 H new ATOM 646 N ILE A 112 5.284 4.217 0.810 1.00 0.00 N ATOM 647 CA ILE A 112 5.609 5.312 -0.096 1.00 0.00 C ATOM 648 C ILE A 112 5.785 4.809 -1.525 1.00 0.00 C ATOM 649 O ILE A 112 6.894 4.479 -1.945 1.00 0.00 O ATOM 650 CB ILE A 112 6.893 6.042 0.341 1.00 0.00 C ATOM 651 CG1 ILE A 112 6.723 6.618 1.749 1.00 0.00 C ATOM 652 CG2 ILE A 112 7.239 7.144 -0.650 1.00 0.00 C ATOM 653 CD1 ILE A 112 7.071 5.639 2.848 1.00 0.00 C ATOM 0 H ILE A 112 6.034 3.537 0.936 1.00 0.00 H new ATOM 0 HA ILE A 112 4.773 6.011 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 112 7.714 5.325 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.352 7.503 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.691 6.944 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 112 8.149 7.651 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.396 6.709 -1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.420 7.862 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.927 6.115 3.818 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.425 4.764 2.774 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.112 5.332 2.745 1.00 0.00 H new ATOM 665 N ALA A 113 4.685 4.755 -2.267 1.00 0.00 N ATOM 666 CA ALA A 113 4.718 4.297 -3.651 1.00 0.00 C ATOM 667 C ALA A 113 4.491 5.453 -4.618 1.00 0.00 C ATOM 668 O ALA A 113 3.908 6.475 -4.254 1.00 0.00 O ATOM 669 CB ALA A 113 3.676 3.210 -3.871 1.00 0.00 C ATOM 0 H ALA A 113 3.759 5.023 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 113 5.707 3.883 -3.847 1.00 0.00 H new ATOM 0 HB1 ALA A 113 3.711 2.877 -4.908 1.00 0.00 H new ATOM 0 HB2 ALA A 113 3.885 2.367 -3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 113 2.685 3.606 -3.651 1.00 0.00 H new ATOM 675 N TYR A 114 4.956 5.287 -5.851 1.00 0.00 N ATOM 676 CA TYR A 114 4.807 6.319 -6.870 1.00 0.00 C ATOM 677 C TYR A 114 4.165 5.750 -8.132 1.00 0.00 C ATOM 678 O TYR A 114 4.687 4.816 -8.741 1.00 0.00 O ATOM 679 CB TYR A 114 6.167 6.932 -7.209 1.00 0.00 C ATOM 680 CG TYR A 114 7.252 5.905 -7.444 1.00 0.00 C ATOM 681 CD1 TYR A 114 7.729 5.119 -6.402 1.00 0.00 C ATOM 682 CD2 TYR A 114 7.800 5.721 -8.707 1.00 0.00 C ATOM 683 CE1 TYR A 114 8.721 4.181 -6.611 1.00 0.00 C ATOM 684 CE2 TYR A 114 8.791 4.784 -8.926 1.00 0.00 C ATOM 685 CZ TYR A 114 9.248 4.016 -7.875 1.00 0.00 C ATOM 686 OH TYR A 114 10.236 3.083 -8.089 1.00 0.00 O ATOM 0 H TYR A 114 5.440 4.447 -6.169 1.00 0.00 H new ATOM 0 HA TYR A 114 4.155 7.096 -6.470 1.00 0.00 H new ATOM 0 HB2 TYR A 114 6.065 7.551 -8.100 1.00 0.00 H new ATOM 0 HB3 TYR A 114 6.472 7.591 -6.396 1.00 0.00 H new ATOM 0 HD1 TYR A 114 7.317 5.244 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 114 7.445 6.321 -9.532 1.00 0.00 H new ATOM 0 HE1 TYR A 114 9.082 3.580 -5.789 1.00 0.00 H new ATOM 0 HE2 TYR A 114 9.206 4.653 -9.915 1.00 0.00 H new ATOM 0 HH TYR A 114 10.496 3.093 -9.034 1.00 0.00 H new ATOM 696 N SER A 115 3.028 6.321 -8.519 1.00 0.00 N ATOM 697 CA SER A 115 2.311 5.869 -9.705 1.00 0.00 C ATOM 698 C SER A 115 1.838 7.057 -10.538 1.00 0.00 C ATOM 699 O SER A 115 0.908 7.767 -10.155 1.00 0.00 O ATOM 700 CB SER A 115 1.115 5.003 -9.306 1.00 0.00 C ATOM 701 OG SER A 115 1.538 3.730 -8.849 1.00 0.00 O ATOM 0 H SER A 115 2.584 7.097 -8.028 1.00 0.00 H new ATOM 0 HA SER A 115 2.996 5.273 -10.308 1.00 0.00 H new ATOM 0 HB2 SER A 115 0.545 5.503 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.448 4.883 -10.159 1.00 0.00 H new ATOM 0 HG SER A 115 0.860 3.059 -9.076 1.00 0.00 H new ATOM 707 N ASP A 116 2.485 7.266 -11.680 1.00 0.00 N ATOM 708 CA ASP A 116 2.131 8.366 -12.569 1.00 0.00 C ATOM 709 C ASP A 116 0.621 8.583 -12.591 1.00 0.00 C ATOM 710 O ASP A 116 0.149 9.711 -12.726 1.00 0.00 O ATOM 711 CB ASP A 116 2.640 8.090 -13.985 1.00 0.00 C ATOM 712 CG ASP A 116 4.133 8.317 -14.118 1.00 0.00 C ATOM 713 OD1 ASP A 116 4.884 7.864 -13.229 1.00 0.00 O ATOM 714 OD2 ASP A 116 4.550 8.948 -15.111 1.00 0.00 O ATOM 0 H ASP A 116 3.257 6.688 -12.011 1.00 0.00 H new ATOM 0 HA ASP A 116 2.605 9.272 -12.191 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.406 7.061 -14.258 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.113 8.734 -14.689 1.00 0.00 H new ATOM 719 N GLU A 117 -0.130 7.494 -12.459 1.00 0.00 N ATOM 720 CA GLU A 117 -1.586 7.565 -12.466 1.00 0.00 C ATOM 721 C GLU A 117 -2.113 8.059 -11.121 1.00 0.00 C ATOM 722 O GLU A 117 -1.962 7.389 -10.099 1.00 0.00 O ATOM 723 CB GLU A 117 -2.185 6.195 -12.788 1.00 0.00 C ATOM 724 CG GLU A 117 -2.057 5.804 -14.251 1.00 0.00 C ATOM 725 CD GLU A 117 -2.265 4.319 -14.479 1.00 0.00 C ATOM 726 OE1 GLU A 117 -3.063 3.711 -13.736 1.00 0.00 O ATOM 727 OE2 GLU A 117 -1.630 3.766 -15.401 1.00 0.00 O ATOM 0 H GLU A 117 0.246 6.553 -12.346 1.00 0.00 H new ATOM 0 HA GLU A 117 -1.885 8.274 -13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.694 5.440 -12.174 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -3.239 6.194 -12.511 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -2.786 6.363 -14.838 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.069 6.089 -14.614 1.00 0.00 H new ATOM 734 N LYS A 118 -2.731 9.235 -11.130 1.00 0.00 N ATOM 735 CA LYS A 118 -3.281 9.820 -9.913 1.00 0.00 C ATOM 736 C LYS A 118 -4.431 8.974 -9.375 1.00 0.00 C ATOM 737 O LYS A 118 -5.561 9.067 -9.855 1.00 0.00 O ATOM 738 CB LYS A 118 -3.766 11.246 -10.182 1.00 0.00 C ATOM 739 CG LYS A 118 -4.478 11.406 -11.515 1.00 0.00 C ATOM 740 CD LYS A 118 -5.528 12.503 -11.458 1.00 0.00 C ATOM 741 CE LYS A 118 -4.941 13.855 -11.833 1.00 0.00 C ATOM 742 NZ LYS A 118 -3.958 14.333 -10.821 1.00 0.00 N ATOM 0 H LYS A 118 -2.864 9.802 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.490 9.847 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -4.440 11.548 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -2.912 11.923 -10.152 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.750 11.638 -12.292 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.950 10.463 -11.792 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -6.347 12.260 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -5.949 12.554 -10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.455 13.783 -12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.744 14.585 -11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -3.887 15.370 -10.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.273 14.051 -9.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -3.027 13.913 -11.016 1.00 0.00 H new ATOM 756 N LEU A 119 -4.136 8.152 -8.374 1.00 0.00 N ATOM 757 CA LEU A 119 -5.146 7.291 -7.769 1.00 0.00 C ATOM 758 C LEU A 119 -6.164 8.113 -6.984 1.00 0.00 C ATOM 759 O LEU A 119 -6.001 9.321 -6.814 1.00 0.00 O ATOM 760 CB LEU A 119 -4.484 6.265 -6.848 1.00 0.00 C ATOM 761 CG LEU A 119 -3.220 5.595 -7.388 1.00 0.00 C ATOM 762 CD1 LEU A 119 -2.510 4.825 -6.284 1.00 0.00 C ATOM 763 CD2 LEU A 119 -3.559 4.674 -8.550 1.00 0.00 C ATOM 0 H LEU A 119 -3.206 8.064 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.669 6.768 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.237 6.757 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -5.213 5.488 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 119 -2.547 6.372 -7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -1.613 4.355 -6.687 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -2.232 5.510 -5.483 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -3.176 4.057 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -2.647 4.206 -8.921 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.251 3.903 -8.213 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.022 5.252 -9.350 1.00 0.00 H new ATOM 775 N SER A 120 -7.212 7.450 -6.507 1.00 0.00 N ATOM 776 CA SER A 120 -8.257 8.119 -5.742 1.00 0.00 C ATOM 777 C SER A 120 -8.418 7.479 -4.367 1.00 0.00 C ATOM 778 O SER A 120 -7.966 6.357 -4.134 1.00 0.00 O ATOM 779 CB SER A 120 -9.585 8.069 -6.500 1.00 0.00 C ATOM 780 OG SER A 120 -9.372 8.041 -7.900 1.00 0.00 O ATOM 0 H SER A 120 -7.360 6.449 -6.637 1.00 0.00 H new ATOM 0 HA SER A 120 -7.964 9.160 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.147 7.186 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.190 8.937 -6.238 1.00 0.00 H new ATOM 0 HG SER A 120 -9.258 7.113 -8.195 1.00 0.00 H new ATOM 786 N LEU A 121 -9.066 8.199 -3.458 1.00 0.00 N ATOM 787 CA LEU A 121 -9.289 7.702 -2.105 1.00 0.00 C ATOM 788 C LEU A 121 -10.140 6.437 -2.122 1.00 0.00 C ATOM 789 O LEU A 121 -11.235 6.421 -2.681 1.00 0.00 O ATOM 790 CB LEU A 121 -9.968 8.775 -1.252 1.00 0.00 C ATOM 791 CG LEU A 121 -9.051 9.858 -0.681 1.00 0.00 C ATOM 792 CD1 LEU A 121 -8.181 9.291 0.430 1.00 0.00 C ATOM 793 CD2 LEU A 121 -8.190 10.462 -1.780 1.00 0.00 C ATOM 0 H LEU A 121 -9.446 9.129 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 121 -8.320 7.459 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -10.736 9.259 -1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -10.477 8.283 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 121 -9.673 10.648 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -7.536 10.076 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -8.815 8.908 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.567 8.482 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -7.544 11.230 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -7.577 9.682 -2.232 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -8.831 10.907 -2.541 1.00 0.00 H new ATOM 805 N GLY A 122 -9.628 5.377 -1.503 1.00 0.00 N ATOM 806 CA GLY A 122 -10.355 4.122 -1.457 1.00 0.00 C ATOM 807 C GLY A 122 -10.038 3.225 -2.637 1.00 0.00 C ATOM 808 O GLY A 122 -10.619 2.149 -2.782 1.00 0.00 O ATOM 0 H GLY A 122 -8.723 5.365 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -10.113 3.599 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -11.426 4.326 -1.437 1.00 0.00 H new ATOM 812 N ASP A 123 -9.116 3.668 -3.485 1.00 0.00 N ATOM 813 CA ASP A 123 -8.723 2.898 -4.659 1.00 0.00 C ATOM 814 C ASP A 123 -7.621 1.901 -4.311 1.00 0.00 C ATOM 815 O ASP A 123 -6.448 2.264 -4.221 1.00 0.00 O ATOM 816 CB ASP A 123 -8.249 3.832 -5.773 1.00 0.00 C ATOM 817 CG ASP A 123 -9.296 4.862 -6.150 1.00 0.00 C ATOM 818 OD1 ASP A 123 -10.148 5.181 -5.295 1.00 0.00 O ATOM 819 OD2 ASP A 123 -9.265 5.347 -7.300 1.00 0.00 O ATOM 0 H ASP A 123 -8.627 4.557 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.594 2.343 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.340 4.342 -5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -7.991 3.242 -6.652 1.00 0.00 H new ATOM 824 N ARG A 124 -8.007 0.645 -4.116 1.00 0.00 N ATOM 825 CA ARG A 124 -7.053 -0.404 -3.776 1.00 0.00 C ATOM 826 C ARG A 124 -6.002 -0.559 -4.872 1.00 0.00 C ATOM 827 O ARG A 124 -6.212 -0.142 -6.011 1.00 0.00 O ATOM 828 CB ARG A 124 -7.778 -1.732 -3.558 1.00 0.00 C ATOM 829 CG ARG A 124 -8.720 -2.105 -4.691 1.00 0.00 C ATOM 830 CD ARG A 124 -9.924 -2.883 -4.183 1.00 0.00 C ATOM 831 NE ARG A 124 -11.076 -2.749 -5.071 1.00 0.00 N ATOM 832 CZ ARG A 124 -11.936 -1.739 -5.011 1.00 0.00 C ATOM 833 NH1 ARG A 124 -11.775 -0.779 -4.112 1.00 0.00 N ATOM 834 NH2 ARG A 124 -12.960 -1.688 -5.854 1.00 0.00 N ATOM 0 H ARG A 124 -8.974 0.328 -4.188 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.550 -0.117 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.039 -2.524 -3.436 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.345 -1.679 -2.628 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -9.057 -1.201 -5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -8.184 -2.703 -5.429 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -9.661 -3.936 -4.087 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -10.191 -2.529 -3.187 1.00 0.00 H new ATOM 0 HE ARG A 124 -11.228 -3.471 -5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.989 -0.814 -3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -12.437 -0.005 -4.069 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -13.086 -2.425 -6.548 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -13.621 -0.912 -5.808 1.00 0.00 H new ATOM 848 N VAL A 125 -4.871 -1.161 -4.519 1.00 0.00 N ATOM 849 CA VAL A 125 -3.788 -1.373 -5.472 1.00 0.00 C ATOM 850 C VAL A 125 -2.884 -2.519 -5.031 1.00 0.00 C ATOM 851 O VAL A 125 -2.662 -2.724 -3.838 1.00 0.00 O ATOM 852 CB VAL A 125 -2.938 -0.100 -5.646 1.00 0.00 C ATOM 853 CG1 VAL A 125 -3.792 1.047 -6.163 1.00 0.00 C ATOM 854 CG2 VAL A 125 -2.264 0.274 -4.334 1.00 0.00 C ATOM 0 H VAL A 125 -4.681 -1.511 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 125 -4.250 -1.626 -6.426 1.00 0.00 H new ATOM 0 HB VAL A 125 -2.160 -0.302 -6.383 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.174 1.937 -6.279 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.222 0.775 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -4.594 1.252 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -1.668 1.175 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -3.024 0.457 -3.574 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -1.617 -0.542 -4.012 1.00 0.00 H new ATOM 864 N MET A 126 -2.365 -3.262 -6.003 1.00 0.00 N ATOM 865 CA MET A 126 -1.483 -4.387 -5.715 1.00 0.00 C ATOM 866 C MET A 126 -0.040 -4.054 -6.080 1.00 0.00 C ATOM 867 O MET A 126 0.242 -3.605 -7.191 1.00 0.00 O ATOM 868 CB MET A 126 -1.940 -5.631 -6.480 1.00 0.00 C ATOM 869 CG MET A 126 -1.230 -6.904 -6.050 1.00 0.00 C ATOM 870 SD MET A 126 -2.150 -8.393 -6.486 1.00 0.00 S ATOM 871 CE MET A 126 -1.908 -8.433 -8.260 1.00 0.00 C ATOM 0 H MET A 126 -2.540 -3.106 -6.996 1.00 0.00 H new ATOM 0 HA MET A 126 -1.532 -4.589 -4.645 1.00 0.00 H new ATOM 0 HB2 MET A 126 -3.014 -5.759 -6.341 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.773 -5.474 -7.546 1.00 0.00 H new ATOM 0 HG2 MET A 126 -0.245 -6.941 -6.515 1.00 0.00 H new ATOM 0 HG3 MET A 126 -1.073 -6.881 -4.972 1.00 0.00 H new ATOM 0 HE1 MET A 126 -2.419 -9.300 -8.677 1.00 0.00 H new ATOM 0 HE2 MET A 126 -2.315 -7.524 -8.703 1.00 0.00 H new ATOM 0 HE3 MET A 126 -0.843 -8.499 -8.480 1.00 0.00 H new ATOM 881 N VAL A 127 0.871 -4.276 -5.137 1.00 0.00 N ATOM 882 CA VAL A 127 2.285 -4.000 -5.360 1.00 0.00 C ATOM 883 C VAL A 127 2.825 -4.809 -6.534 1.00 0.00 C ATOM 884 O VAL A 127 2.722 -6.036 -6.556 1.00 0.00 O ATOM 885 CB VAL A 127 3.123 -4.314 -4.106 1.00 0.00 C ATOM 886 CG1 VAL A 127 4.580 -3.941 -4.330 1.00 0.00 C ATOM 887 CG2 VAL A 127 2.558 -3.589 -2.893 1.00 0.00 C ATOM 0 H VAL A 127 0.654 -4.646 -4.212 1.00 0.00 H new ATOM 0 HA VAL A 127 2.368 -2.937 -5.587 1.00 0.00 H new ATOM 0 HB VAL A 127 3.073 -5.386 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 127 5.156 -4.170 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 127 4.976 -4.510 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 127 4.654 -2.875 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.162 -3.822 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 127 2.576 -2.514 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.531 -3.911 -2.722 1.00 0.00 H new ATOM 897 N VAL A 128 3.401 -4.114 -7.509 1.00 0.00 N ATOM 898 CA VAL A 128 3.959 -4.767 -8.687 1.00 0.00 C ATOM 899 C VAL A 128 5.462 -4.976 -8.540 1.00 0.00 C ATOM 900 O VAL A 128 6.017 -5.951 -9.047 1.00 0.00 O ATOM 901 CB VAL A 128 3.688 -3.950 -9.964 1.00 0.00 C ATOM 902 CG1 VAL A 128 4.390 -2.602 -9.894 1.00 0.00 C ATOM 903 CG2 VAL A 128 4.128 -4.726 -11.196 1.00 0.00 C ATOM 0 H VAL A 128 3.494 -3.098 -7.507 1.00 0.00 H new ATOM 0 HA VAL A 128 3.467 -5.736 -8.774 1.00 0.00 H new ATOM 0 HB VAL A 128 2.615 -3.771 -10.040 1.00 0.00 H new ATOM 0 HG11 VAL A 128 4.187 -2.038 -10.805 1.00 0.00 H new ATOM 0 HG12 VAL A 128 4.022 -2.044 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 128 5.464 -2.756 -9.794 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.929 -4.134 -12.089 1.00 0.00 H new ATOM 0 HG22 VAL A 128 5.195 -4.937 -11.131 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.575 -5.664 -11.252 1.00 0.00 H new ATOM 913 N ASP A 129 6.116 -4.054 -7.841 1.00 0.00 N ATOM 914 CA ASP A 129 7.556 -4.137 -7.625 1.00 0.00 C ATOM 915 C ASP A 129 7.940 -3.517 -6.285 1.00 0.00 C ATOM 916 O ASP A 129 7.361 -2.516 -5.863 1.00 0.00 O ATOM 917 CB ASP A 129 8.305 -3.436 -8.759 1.00 0.00 C ATOM 918 CG ASP A 129 9.663 -4.055 -9.024 1.00 0.00 C ATOM 919 OD1 ASP A 129 9.830 -5.262 -8.750 1.00 0.00 O ATOM 920 OD2 ASP A 129 10.560 -3.332 -9.507 1.00 0.00 O ATOM 0 H ASP A 129 5.672 -3.241 -7.415 1.00 0.00 H new ATOM 0 HA ASP A 129 7.837 -5.190 -7.612 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.705 -3.479 -9.668 1.00 0.00 H new ATOM 0 HB3 ASP A 129 8.431 -2.382 -8.510 1.00 0.00 H new ATOM 925 N VAL A 130 8.921 -4.119 -5.619 1.00 0.00 N ATOM 926 CA VAL A 130 9.383 -3.626 -4.328 1.00 0.00 C ATOM 927 C VAL A 130 10.897 -3.446 -4.318 1.00 0.00 C ATOM 928 O VAL A 130 11.646 -4.391 -4.566 1.00 0.00 O ATOM 929 CB VAL A 130 8.983 -4.581 -3.187 1.00 0.00 C ATOM 930 CG1 VAL A 130 9.612 -4.138 -1.874 1.00 0.00 C ATOM 931 CG2 VAL A 130 7.469 -4.657 -3.063 1.00 0.00 C ATOM 0 H VAL A 130 9.411 -4.949 -5.953 1.00 0.00 H new ATOM 0 HA VAL A 130 8.904 -2.660 -4.168 1.00 0.00 H new ATOM 0 HB VAL A 130 9.356 -5.578 -3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 130 9.318 -4.824 -1.080 1.00 0.00 H new ATOM 0 HG12 VAL A 130 10.698 -4.140 -1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 130 9.271 -3.132 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 130 7.204 -5.336 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 130 7.071 -3.665 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 130 7.045 -5.025 -3.998 1.00 0.00 H new ATOM 941 N ASP A 131 11.341 -2.228 -4.029 1.00 0.00 N ATOM 942 CA ASP A 131 12.766 -1.924 -3.984 1.00 0.00 C ATOM 943 C ASP A 131 13.193 -1.527 -2.575 1.00 0.00 C ATOM 944 O ASP A 131 14.195 -0.837 -2.390 1.00 0.00 O ATOM 945 CB ASP A 131 13.100 -0.801 -4.967 1.00 0.00 C ATOM 946 CG ASP A 131 14.510 -0.910 -5.514 1.00 0.00 C ATOM 947 OD1 ASP A 131 14.989 -2.049 -5.696 1.00 0.00 O ATOM 948 OD2 ASP A 131 15.136 0.143 -5.758 1.00 0.00 O ATOM 0 H ASP A 131 10.734 -1.435 -3.822 1.00 0.00 H new ATOM 0 HA ASP A 131 13.313 -2.822 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 131 12.390 -0.823 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 131 12.980 0.161 -4.469 1.00 0.00 H new ATOM 953 N GLY A 132 12.425 -1.967 -1.583 1.00 0.00 N ATOM 954 CA GLY A 132 12.740 -1.647 -0.203 1.00 0.00 C ATOM 955 C GLY A 132 11.706 -0.737 0.432 1.00 0.00 C ATOM 956 O GLY A 132 10.568 -1.147 0.666 1.00 0.00 O ATOM 0 H GLY A 132 11.590 -2.539 -1.710 1.00 0.00 H new ATOM 0 HA2 GLY A 132 12.811 -2.569 0.374 1.00 0.00 H new ATOM 0 HA3 GLY A 132 13.718 -1.167 -0.159 1.00 0.00 H new ATOM 960 N LEU A 133 12.101 0.499 0.713 1.00 0.00 N ATOM 961 CA LEU A 133 11.201 1.470 1.326 1.00 0.00 C ATOM 962 C LEU A 133 10.312 2.127 0.275 1.00 0.00 C ATOM 963 O LEU A 133 9.745 3.195 0.506 1.00 0.00 O ATOM 964 CB LEU A 133 12.002 2.537 2.073 1.00 0.00 C ATOM 965 CG LEU A 133 12.459 2.167 3.485 1.00 0.00 C ATOM 966 CD1 LEU A 133 13.659 3.007 3.894 1.00 0.00 C ATOM 967 CD2 LEU A 133 11.320 2.341 4.478 1.00 0.00 C ATOM 0 H LEU A 133 13.039 0.853 0.526 1.00 0.00 H new ATOM 0 HA LEU A 133 10.564 0.941 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 133 12.883 2.783 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 133 11.396 3.441 2.134 1.00 0.00 H new ATOM 0 HG LEU A 133 12.757 1.119 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 133 13.971 2.730 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 133 14.480 2.831 3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 133 13.388 4.063 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 133 11.664 2.073 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 133 10.990 3.380 4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 133 10.489 1.695 4.195 1.00 0.00 H new ATOM 979 N LYS A 134 10.193 1.482 -0.880 1.00 0.00 N ATOM 980 CA LYS A 134 9.371 2.001 -1.966 1.00 0.00 C ATOM 981 C LYS A 134 8.875 0.870 -2.862 1.00 0.00 C ATOM 982 O LYS A 134 9.667 0.189 -3.515 1.00 0.00 O ATOM 983 CB LYS A 134 10.165 3.012 -2.796 1.00 0.00 C ATOM 984 CG LYS A 134 10.550 4.262 -2.025 1.00 0.00 C ATOM 985 CD LYS A 134 10.844 5.425 -2.959 1.00 0.00 C ATOM 986 CE LYS A 134 12.088 5.167 -3.795 1.00 0.00 C ATOM 987 NZ LYS A 134 13.331 5.561 -3.075 1.00 0.00 N ATOM 0 H LYS A 134 10.656 0.597 -1.088 1.00 0.00 H new ATOM 0 HA LYS A 134 8.506 2.499 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 134 11.070 2.532 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 134 9.574 3.299 -3.666 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.742 4.535 -1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.427 4.056 -1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 134 9.990 5.590 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 134 10.978 6.336 -2.376 1.00 0.00 H new ATOM 0 HE2 LYS A 134 12.138 4.110 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 134 12.019 5.722 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.157 5.370 -3.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 13.295 6.576 -2.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.411 5.013 -2.195 1.00 0.00 H new ATOM 1001 N LEU A 135 7.561 0.676 -2.890 1.00 0.00 N ATOM 1002 CA LEU A 135 6.959 -0.372 -3.707 1.00 0.00 C ATOM 1003 C LEU A 135 5.938 0.214 -4.677 1.00 0.00 C ATOM 1004 O LEU A 135 5.010 0.915 -4.271 1.00 0.00 O ATOM 1005 CB LEU A 135 6.291 -1.420 -2.816 1.00 0.00 C ATOM 1006 CG LEU A 135 5.769 -0.922 -1.468 1.00 0.00 C ATOM 1007 CD1 LEU A 135 4.324 -0.464 -1.591 1.00 0.00 C ATOM 1008 CD2 LEU A 135 5.898 -2.009 -0.411 1.00 0.00 C ATOM 0 H LEU A 135 6.892 1.231 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 135 7.751 -0.848 -4.285 1.00 0.00 H new ATOM 0 HB2 LEU A 135 5.458 -1.857 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 135 7.007 -2.221 -2.632 1.00 0.00 H new ATOM 0 HG LEU A 135 6.374 -0.069 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.970 -0.113 -0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 135 4.260 0.347 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 135 3.705 -1.297 -1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 135 5.522 -1.637 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 135 5.319 -2.881 -0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 135 6.946 -2.289 -0.303 1.00 0.00 H new ATOM 1020 N LYS A 136 6.112 -0.081 -5.961 1.00 0.00 N ATOM 1021 CA LYS A 136 5.205 0.413 -6.990 1.00 0.00 C ATOM 1022 C LYS A 136 3.861 -0.307 -6.921 1.00 0.00 C ATOM 1023 O LYS A 136 3.806 -1.524 -6.748 1.00 0.00 O ATOM 1024 CB LYS A 136 5.824 0.228 -8.377 1.00 0.00 C ATOM 1025 CG LYS A 136 5.376 1.269 -9.387 1.00 0.00 C ATOM 1026 CD LYS A 136 3.993 0.957 -9.935 1.00 0.00 C ATOM 1027 CE LYS A 136 3.650 1.844 -11.121 1.00 0.00 C ATOM 1028 NZ LYS A 136 2.219 1.717 -11.513 1.00 0.00 N ATOM 0 H LYS A 136 6.874 -0.660 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 136 5.038 1.475 -6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.910 0.264 -8.289 1.00 0.00 H new ATOM 0 HB3 LYS A 136 5.567 -0.763 -8.751 1.00 0.00 H new ATOM 0 HG2 LYS A 136 5.369 2.253 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 136 6.092 1.313 -10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 136 3.948 -0.089 -10.237 1.00 0.00 H new ATOM 0 HD3 LYS A 136 3.250 1.095 -9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 136 3.868 2.883 -10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 136 4.283 1.579 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 1.848 2.651 -11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 2.137 1.069 -12.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 1.672 1.342 -10.712 1.00 0.00 H new ATOM 1042 N VAL A 137 2.780 0.454 -7.059 1.00 0.00 N ATOM 1043 CA VAL A 137 1.437 -0.112 -7.016 1.00 0.00 C ATOM 1044 C VAL A 137 0.673 0.186 -8.301 1.00 0.00 C ATOM 1045 O VAL A 137 0.892 1.214 -8.942 1.00 0.00 O ATOM 1046 CB VAL A 137 0.637 0.433 -5.817 1.00 0.00 C ATOM 1047 CG1 VAL A 137 1.416 0.243 -4.525 1.00 0.00 C ATOM 1048 CG2 VAL A 137 0.291 1.899 -6.031 1.00 0.00 C ATOM 0 H VAL A 137 2.808 1.464 -7.201 1.00 0.00 H new ATOM 0 HA VAL A 137 1.551 -1.191 -6.907 1.00 0.00 H new ATOM 0 HB VAL A 137 -0.294 -0.128 -5.737 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.835 0.634 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.608 -0.819 -4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 137 2.364 0.777 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.274 2.268 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.209 2.478 -6.137 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.310 2.003 -6.934 1.00 0.00 H new ATOM 1058 N LYS A 138 -0.226 -0.719 -8.672 1.00 0.00 N ATOM 1059 CA LYS A 138 -1.026 -0.554 -9.880 1.00 0.00 C ATOM 1060 C LYS A 138 -2.499 -0.832 -9.599 1.00 0.00 C ATOM 1061 O LYS A 138 -2.845 -1.850 -8.999 1.00 0.00 O ATOM 1062 CB LYS A 138 -0.520 -1.487 -10.982 1.00 0.00 C ATOM 1063 CG LYS A 138 0.777 -1.024 -11.624 1.00 0.00 C ATOM 1064 CD LYS A 138 1.498 -2.170 -12.313 1.00 0.00 C ATOM 1065 CE LYS A 138 0.678 -2.734 -13.463 1.00 0.00 C ATOM 1066 NZ LYS A 138 0.561 -1.765 -14.588 1.00 0.00 N ATOM 0 H LYS A 138 -0.419 -1.575 -8.153 1.00 0.00 H new ATOM 0 HA LYS A 138 -0.927 0.479 -10.214 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -0.373 -2.483 -10.564 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -1.286 -1.574 -11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 138 0.565 -0.238 -12.349 1.00 0.00 H new ATOM 0 HG3 LYS A 138 1.426 -0.590 -10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 138 2.461 -1.823 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS A 138 1.703 -2.959 -11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 138 1.140 -3.653 -13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -0.317 -2.997 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 0.145 -2.241 -15.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -0.048 -0.972 -14.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 1.505 -1.404 -14.835 1.00 0.00 H new ATOM 1080 N ARG A 139 -3.363 0.077 -10.040 1.00 0.00 N ATOM 1081 CA ARG A 139 -4.799 -0.072 -9.836 1.00 0.00 C ATOM 1082 C ARG A 139 -5.265 -1.465 -10.249 1.00 0.00 C ATOM 1083 O ARG A 139 -4.900 -1.962 -11.314 1.00 0.00 O ATOM 1084 CB ARG A 139 -5.561 0.989 -10.632 1.00 0.00 C ATOM 1085 CG ARG A 139 -6.990 0.593 -10.962 1.00 0.00 C ATOM 1086 CD ARG A 139 -7.884 1.813 -11.123 1.00 0.00 C ATOM 1087 NE ARG A 139 -7.926 2.282 -12.506 1.00 0.00 N ATOM 1088 CZ ARG A 139 -7.025 3.104 -13.032 1.00 0.00 C ATOM 1089 NH1 ARG A 139 -6.016 3.545 -12.294 1.00 0.00 N ATOM 1090 NH2 ARG A 139 -7.132 3.485 -14.298 1.00 0.00 N ATOM 0 H ARG A 139 -3.094 0.924 -10.541 1.00 0.00 H new ATOM 0 HA ARG A 139 -5.006 0.062 -8.774 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -5.573 1.919 -10.063 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -5.025 1.190 -11.560 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -7.003 0.007 -11.881 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -7.383 -0.046 -10.171 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -8.893 1.569 -10.792 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -7.523 2.615 -10.479 1.00 0.00 H new ATOM 0 HE ARG A 139 -8.690 1.960 -13.101 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -5.931 3.253 -11.320 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -5.325 4.176 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -7.907 3.147 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -6.440 4.116 -14.701 1.00 0.00 H new ATOM 1104 N ILE A 140 -6.072 -2.089 -9.398 1.00 0.00 N ATOM 1105 CA ILE A 140 -6.588 -3.424 -9.674 1.00 0.00 C ATOM 1106 C ILE A 140 -8.110 -3.456 -9.578 1.00 0.00 C ATOM 1107 O ILE A 140 -8.717 -2.798 -8.733 1.00 0.00 O ATOM 1108 CB ILE A 140 -6.002 -4.466 -8.704 1.00 0.00 C ATOM 1109 CG1 ILE A 140 -6.219 -4.025 -7.255 1.00 0.00 C ATOM 1110 CG2 ILE A 140 -4.521 -4.676 -8.983 1.00 0.00 C ATOM 1111 CD1 ILE A 140 -6.034 -5.140 -6.249 1.00 0.00 C ATOM 0 H ILE A 140 -6.383 -1.692 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 140 -6.285 -3.675 -10.690 1.00 0.00 H new ATOM 0 HB ILE A 140 -6.519 -5.414 -8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 140 -5.525 -3.218 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 140 -7.226 -3.619 -7.154 1.00 0.00 H new ATOM 0 HG21 ILE A 140 -4.121 -5.415 -8.289 1.00 0.00 H new ATOM 0 HG22 ILE A 140 -4.390 -5.030 -10.006 1.00 0.00 H new ATOM 0 HG23 ILE A 140 -3.989 -3.733 -8.855 1.00 0.00 H new ATOM 0 HD11 ILE A 140 -6.203 -4.755 -5.244 1.00 0.00 H new ATOM 0 HD12 ILE A 140 -6.746 -5.939 -6.456 1.00 0.00 H new ATOM 0 HD13 ILE A 140 -5.019 -5.531 -6.322 1.00 0.00 H new