USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 454 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 123 ASN : amide:sc=-0.00769 X(o=-0.14,f=-0.52) USER MOD Set 1.2: A 126 MET CE :methyl -175:sc= -0.131 (180deg=-0.275) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= -0.622 (180deg=-1.82!) USER MOD Single : A 76 LYS NZ :NH3+ -133:sc= 1.76 (180deg=0.902) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 0.95 (180deg=0.851) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= 1.34 (180deg=0.764) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -0.78! (180deg=-5.25!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.026) USER MOD Single : A 95 LYS NZ :NH3+ -142:sc= 0.16 (180deg=-0.55!) USER MOD Single : A 99 LYS NZ :NH3+ -172:sc= 1.02 (180deg=0.712) USER MOD Single : A 101 TYR OH : rot -174:sc= 1.25 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.3) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= -0.0145 (180deg=-0.142) USER MOD Single : A 118 TYR OH : rot 165:sc= 0 USER MOD Single : A 122 TYR OH : rot 51:sc= 1.21 USER MOD Single : A 125 TYR OH : rot 88:sc= -0.378 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot -114:sc= -1.31! USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.498 -5.784 -0.593 1.00 0.00 N ATOM 152 CA GLU A 71 8.041 -5.048 0.597 1.00 0.00 C ATOM 153 C GLU A 71 6.640 -5.480 1.034 1.00 0.00 C ATOM 154 O GLU A 71 6.074 -4.881 1.926 1.00 0.00 O ATOM 155 CB GLU A 71 7.984 -3.544 0.335 1.00 0.00 C ATOM 156 CG GLU A 71 9.282 -2.877 -0.060 1.00 0.00 C ATOM 157 CD GLU A 71 9.083 -1.386 -0.223 1.00 0.00 C ATOM 158 OE1 GLU A 71 8.459 -0.962 -1.210 1.00 0.00 O ATOM 159 OE2 GLU A 71 9.473 -0.605 0.662 1.00 0.00 O ATOM 0 HA GLU A 71 8.765 -5.276 1.379 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.254 -3.363 -0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.609 -3.055 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.041 -3.068 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.649 -3.305 -0.993 1.00 0.00 H new ATOM 166 N LYS A 72 6.116 -6.530 0.437 1.00 0.00 N ATOM 167 CA LYS A 72 4.736 -6.986 0.652 1.00 0.00 C ATOM 168 C LYS A 72 4.384 -7.220 2.142 1.00 0.00 C ATOM 169 O LYS A 72 3.239 -7.027 2.559 1.00 0.00 O ATOM 170 CB LYS A 72 4.481 -8.240 -0.192 1.00 0.00 C ATOM 171 CG LYS A 72 5.158 -9.521 0.296 1.00 0.00 C ATOM 172 CD LYS A 72 5.706 -10.411 -0.848 1.00 0.00 C ATOM 173 CE LYS A 72 4.872 -10.392 -2.148 1.00 0.00 C ATOM 174 NZ LYS A 72 3.436 -10.745 -1.982 1.00 0.00 N ATOM 0 H LYS A 72 6.636 -7.108 -0.224 1.00 0.00 H new ATOM 0 HA LYS A 72 4.072 -6.184 0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.406 -8.414 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.813 -8.042 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.978 -9.256 0.963 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.443 -10.098 0.883 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.722 -10.092 -1.081 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.769 -11.439 -0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.937 -9.397 -2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.321 -11.085 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.140 -11.369 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.302 -11.235 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.862 -9.878 -1.995 1.00 0.00 H new ATOM 188 N ALA A 73 5.374 -7.590 2.933 1.00 0.00 N ATOM 189 CA ALA A 73 5.163 -7.846 4.346 1.00 0.00 C ATOM 190 C ALA A 73 5.248 -6.556 5.167 1.00 0.00 C ATOM 191 O ALA A 73 4.813 -6.507 6.329 1.00 0.00 O ATOM 192 CB ALA A 73 6.144 -8.880 4.845 1.00 0.00 C ATOM 0 H ALA A 73 6.336 -7.720 2.620 1.00 0.00 H new ATOM 0 HA ALA A 73 4.155 -8.242 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.973 -9.061 5.906 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.007 -9.809 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.161 -8.517 4.698 1.00 0.00 H new ATOM 198 N ALA A 74 5.869 -5.550 4.599 1.00 0.00 N ATOM 199 CA ALA A 74 5.946 -4.237 5.208 1.00 0.00 C ATOM 200 C ALA A 74 4.705 -3.432 4.831 1.00 0.00 C ATOM 201 O ALA A 74 4.115 -2.746 5.664 1.00 0.00 O ATOM 202 CB ALA A 74 7.216 -3.514 4.774 1.00 0.00 C ATOM 0 H ALA A 74 6.339 -5.616 3.696 1.00 0.00 H new ATOM 0 HA ALA A 74 5.984 -4.346 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.253 -2.531 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.087 -4.094 5.078 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.217 -3.399 3.690 1.00 0.00 H new ATOM 208 N VAL A 75 4.306 -3.570 3.567 1.00 0.00 N ATOM 209 CA VAL A 75 3.156 -2.874 2.984 1.00 0.00 C ATOM 210 C VAL A 75 1.868 -3.101 3.792 1.00 0.00 C ATOM 211 O VAL A 75 1.143 -2.153 4.069 1.00 0.00 O ATOM 212 CB VAL A 75 2.950 -3.267 1.484 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.689 -2.657 0.929 1.00 0.00 C ATOM 214 CG2 VAL A 75 4.128 -2.801 0.646 1.00 0.00 C ATOM 0 H VAL A 75 4.783 -4.182 2.904 1.00 0.00 H new ATOM 0 HA VAL A 75 3.381 -1.808 3.027 1.00 0.00 H new ATOM 0 HB VAL A 75 2.871 -4.353 1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.573 -2.948 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.831 -3.010 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.749 -1.571 0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.968 -3.083 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.220 -1.717 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.042 -3.268 1.012 1.00 0.00 H new ATOM 224 N LYS A 76 1.620 -4.345 4.206 1.00 0.00 N ATOM 225 CA LYS A 76 0.433 -4.672 5.023 1.00 0.00 C ATOM 226 C LYS A 76 0.351 -3.861 6.325 1.00 0.00 C ATOM 227 O LYS A 76 -0.739 -3.555 6.817 1.00 0.00 O ATOM 228 CB LYS A 76 0.362 -6.165 5.334 1.00 0.00 C ATOM 229 CG LYS A 76 -0.485 -6.955 4.353 1.00 0.00 C ATOM 230 CD LYS A 76 -0.610 -8.403 4.793 1.00 0.00 C ATOM 231 CE LYS A 76 -1.776 -9.109 4.105 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.629 -9.184 2.632 1.00 0.00 N ATOM 0 H LYS A 76 2.217 -5.144 3.994 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.427 -4.393 4.414 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.372 -6.574 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.041 -6.299 6.338 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.476 -6.506 4.277 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.038 -6.909 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.317 -8.931 4.570 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.748 -8.443 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.868 -10.118 4.506 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.701 -8.585 4.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.520 -8.896 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.864 -8.549 2.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.399 -10.160 2.355 1.00 0.00 H new ATOM 246 N LYS A 77 1.493 -3.487 6.846 1.00 0.00 N ATOM 247 CA LYS A 77 1.564 -2.740 8.091 1.00 0.00 C ATOM 248 C LYS A 77 1.204 -1.301 7.843 1.00 0.00 C ATOM 249 O LYS A 77 0.468 -0.695 8.608 1.00 0.00 O ATOM 250 CB LYS A 77 2.963 -2.840 8.723 1.00 0.00 C ATOM 251 CG LYS A 77 3.282 -4.157 9.461 1.00 0.00 C ATOM 252 CD LYS A 77 2.931 -5.406 8.653 1.00 0.00 C ATOM 253 CE LYS A 77 3.490 -6.672 9.272 1.00 0.00 C ATOM 254 NZ LYS A 77 4.966 -6.728 9.124 1.00 0.00 N ATOM 0 H LYS A 77 2.401 -3.688 6.426 1.00 0.00 H new ATOM 0 HA LYS A 77 0.851 -3.174 8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.705 -2.699 7.937 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.082 -2.015 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.344 -4.179 9.707 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.736 -4.178 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.847 -5.491 8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.317 -5.300 7.639 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.225 -6.713 10.328 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.040 -7.543 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.311 -7.660 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.221 -6.576 8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.402 -5.987 9.709 1.00 0.00 H new ATOM 268 N MET A 78 1.681 -0.778 6.740 1.00 0.00 N ATOM 269 CA MET A 78 1.386 0.590 6.378 1.00 0.00 C ATOM 270 C MET A 78 -0.052 0.718 5.913 1.00 0.00 C ATOM 271 O MET A 78 -0.663 1.770 6.033 1.00 0.00 O ATOM 272 CB MET A 78 2.354 1.126 5.328 1.00 0.00 C ATOM 273 CG MET A 78 3.764 1.350 5.842 1.00 0.00 C ATOM 274 SD MET A 78 3.822 2.561 7.183 1.00 0.00 S ATOM 275 CE MET A 78 5.578 2.592 7.541 1.00 0.00 C ATOM 0 H MET A 78 2.275 -1.277 6.077 1.00 0.00 H new ATOM 0 HA MET A 78 1.517 1.202 7.270 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.390 0.427 4.492 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.967 2.068 4.939 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.175 0.403 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.398 1.689 5.022 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.772 3.296 8.350 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.906 1.596 7.840 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.125 2.902 6.651 1.00 0.00 H new ATOM 285 N ALA A 79 -0.595 -0.375 5.406 1.00 0.00 N ATOM 286 CA ALA A 79 -1.970 -0.417 4.983 1.00 0.00 C ATOM 287 C ALA A 79 -2.904 -0.237 6.174 1.00 0.00 C ATOM 288 O ALA A 79 -3.843 0.565 6.128 1.00 0.00 O ATOM 289 CB ALA A 79 -2.273 -1.708 4.259 1.00 0.00 C ATOM 0 H ALA A 79 -0.091 -1.252 5.279 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.135 0.407 4.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.318 -1.715 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.634 -1.791 3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.086 -2.551 4.924 1.00 0.00 H new ATOM 295 N LYS A 80 -2.634 -0.949 7.269 1.00 0.00 N ATOM 296 CA LYS A 80 -3.470 -0.780 8.454 1.00 0.00 C ATOM 297 C LYS A 80 -3.246 0.576 9.064 1.00 0.00 C ATOM 298 O LYS A 80 -4.124 1.117 9.709 1.00 0.00 O ATOM 299 CB LYS A 80 -3.348 -1.928 9.533 1.00 0.00 C ATOM 300 CG LYS A 80 -1.972 -2.160 10.260 1.00 0.00 C ATOM 301 CD LYS A 80 -1.460 -0.969 11.137 1.00 0.00 C ATOM 302 CE LYS A 80 -2.448 -0.513 12.226 1.00 0.00 C ATOM 303 NZ LYS A 80 -1.954 0.698 12.951 1.00 0.00 N ATOM 0 H LYS A 80 -1.873 -1.623 7.359 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.497 -0.857 8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.096 -1.735 10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.624 -2.864 9.048 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.061 -3.042 10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.217 -2.384 9.507 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.523 -1.260 11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.239 -0.123 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.415 -0.296 11.772 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.605 -1.324 12.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.740 1.134 13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.204 0.422 13.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.574 1.382 12.266 1.00 0.00 H new ATOM 317 N ALA A 81 -2.064 1.111 8.842 1.00 0.00 N ATOM 318 CA ALA A 81 -1.675 2.391 9.370 1.00 0.00 C ATOM 319 C ALA A 81 -2.525 3.499 8.780 1.00 0.00 C ATOM 320 O ALA A 81 -2.670 4.546 9.342 1.00 0.00 O ATOM 321 CB ALA A 81 -0.191 2.630 9.153 1.00 0.00 C ATOM 0 H ALA A 81 -1.341 0.659 8.282 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.850 2.393 10.446 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.084 3.603 9.559 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.381 1.851 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.029 2.607 8.086 1.00 0.00 H new ATOM 327 N ILE A 82 -3.060 3.244 7.625 1.00 0.00 N ATOM 328 CA ILE A 82 -3.944 4.169 6.979 1.00 0.00 C ATOM 329 C ILE A 82 -5.385 3.980 7.473 1.00 0.00 C ATOM 330 O ILE A 82 -6.075 4.936 7.781 1.00 0.00 O ATOM 331 CB ILE A 82 -3.895 3.974 5.451 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.491 4.264 4.925 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.939 4.840 4.743 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.316 3.938 3.469 1.00 0.00 C ATOM 0 H ILE A 82 -2.896 2.385 7.101 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.617 5.179 7.226 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.137 2.934 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.263 5.318 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.769 3.691 5.507 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.877 4.678 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.935 4.569 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.750 5.891 4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.295 4.169 3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.512 2.878 3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.014 4.530 2.877 1.00 0.00 H new ATOM 346 N MET A 83 -5.822 2.738 7.567 1.00 0.00 N ATOM 347 CA MET A 83 -7.225 2.476 7.881 1.00 0.00 C ATOM 348 C MET A 83 -7.527 2.540 9.385 1.00 0.00 C ATOM 349 O MET A 83 -8.683 2.696 9.781 1.00 0.00 O ATOM 350 CB MET A 83 -7.693 1.134 7.287 1.00 0.00 C ATOM 351 CG MET A 83 -7.253 -0.106 8.028 1.00 0.00 C ATOM 352 SD MET A 83 -7.949 -1.599 7.288 1.00 0.00 S ATOM 353 CE MET A 83 -7.182 -2.881 8.284 1.00 0.00 C ATOM 0 H MET A 83 -5.245 1.907 7.435 1.00 0.00 H new ATOM 0 HA MET A 83 -7.793 3.280 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 83 -8.782 1.139 7.242 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.332 1.068 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 83 -6.165 -0.168 8.022 1.00 0.00 H new ATOM 0 HG3 MET A 83 -7.562 -0.037 9.071 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.519 -3.859 7.941 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.098 -2.817 8.188 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.462 -2.747 9.329 1.00 0.00 H new ATOM 363 N ALA A 84 -6.522 2.371 10.207 1.00 0.00 N ATOM 364 CA ALA A 84 -6.713 2.412 11.648 1.00 0.00 C ATOM 365 C ALA A 84 -6.243 3.722 12.227 1.00 0.00 C ATOM 366 O ALA A 84 -6.909 4.309 13.073 1.00 0.00 O ATOM 367 CB ALA A 84 -6.022 1.238 12.325 1.00 0.00 C ATOM 0 H ALA A 84 -5.561 2.203 9.910 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.783 2.330 11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.181 1.294 13.402 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.436 0.304 11.945 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.953 1.274 12.114 1.00 0.00 H new ATOM 373 N ASP A 85 -5.123 4.200 11.736 1.00 0.00 N ATOM 374 CA ASP A 85 -4.515 5.417 12.249 1.00 0.00 C ATOM 375 C ASP A 85 -4.278 6.422 11.101 1.00 0.00 C ATOM 376 O ASP A 85 -3.137 6.842 10.842 1.00 0.00 O ATOM 377 CB ASP A 85 -3.183 5.105 13.006 1.00 0.00 C ATOM 378 CG ASP A 85 -2.753 3.620 13.012 1.00 0.00 C ATOM 379 OD1 ASP A 85 -3.255 2.814 13.847 1.00 0.00 O ATOM 380 OD2 ASP A 85 -1.902 3.212 12.188 1.00 0.00 O ATOM 0 H ASP A 85 -4.606 3.763 10.973 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.202 5.868 12.965 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.384 5.695 12.557 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.285 5.440 14.038 1.00 0.00 H new ATOM 385 N PRO A 86 -5.384 6.926 10.465 1.00 0.00 N ATOM 386 CA PRO A 86 -5.331 7.707 9.199 1.00 0.00 C ATOM 387 C PRO A 86 -4.640 9.073 9.292 1.00 0.00 C ATOM 388 O PRO A 86 -4.551 9.790 8.304 1.00 0.00 O ATOM 389 CB PRO A 86 -6.809 7.892 8.834 1.00 0.00 C ATOM 390 CG PRO A 86 -7.523 7.823 10.132 1.00 0.00 C ATOM 391 CD PRO A 86 -6.782 6.806 10.947 1.00 0.00 C ATOM 0 HA PRO A 86 -4.730 7.174 8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -6.979 8.848 8.338 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.150 7.113 8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.529 8.794 10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.564 7.530 9.992 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.858 7.015 12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.176 5.802 10.790 1.00 0.00 H new ATOM 399 N SER A 87 -4.137 9.415 10.447 1.00 0.00 N ATOM 400 CA SER A 87 -3.476 10.682 10.635 1.00 0.00 C ATOM 401 C SER A 87 -2.142 10.692 9.869 1.00 0.00 C ATOM 402 O SER A 87 -1.770 11.685 9.266 1.00 0.00 O ATOM 403 CB SER A 87 -3.260 10.947 12.138 1.00 0.00 C ATOM 404 OG SER A 87 -2.693 12.223 12.379 1.00 0.00 O ATOM 0 H SER A 87 -4.172 8.829 11.281 1.00 0.00 H new ATOM 0 HA SER A 87 -4.102 11.482 10.239 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.214 10.870 12.660 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.608 10.177 12.551 1.00 0.00 H new ATOM 0 HG SER A 87 -2.574 12.351 13.343 1.00 0.00 H new ATOM 410 N LYS A 88 -1.444 9.570 9.900 1.00 0.00 N ATOM 411 CA LYS A 88 -0.158 9.443 9.231 1.00 0.00 C ATOM 412 C LYS A 88 -0.292 8.981 7.768 1.00 0.00 C ATOM 413 O LYS A 88 0.691 8.832 7.070 1.00 0.00 O ATOM 414 CB LYS A 88 0.848 8.590 10.061 1.00 0.00 C ATOM 415 CG LYS A 88 0.465 7.122 10.330 1.00 0.00 C ATOM 416 CD LYS A 88 0.554 6.209 9.089 1.00 0.00 C ATOM 417 CE LYS A 88 2.001 5.933 8.603 1.00 0.00 C ATOM 418 NZ LYS A 88 2.700 7.140 8.078 1.00 0.00 N ATOM 0 H LYS A 88 -1.749 8.726 10.385 1.00 0.00 H new ATOM 0 HA LYS A 88 0.270 10.444 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.808 8.600 9.544 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.998 9.083 11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.117 6.724 11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.552 7.089 10.720 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.072 5.258 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.009 6.666 8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.579 5.521 9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.973 5.173 7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.334 6.864 7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.998 7.822 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.257 7.578 8.840 1.00 0.00 H new ATOM 432 N ALA A 89 -1.512 8.668 7.369 1.00 0.00 N ATOM 433 CA ALA A 89 -1.831 8.061 6.057 1.00 0.00 C ATOM 434 C ALA A 89 -1.140 8.708 4.839 1.00 0.00 C ATOM 435 O ALA A 89 -0.664 7.991 3.965 1.00 0.00 O ATOM 436 CB ALA A 89 -3.327 8.063 5.844 1.00 0.00 C ATOM 0 H ALA A 89 -2.336 8.826 7.949 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.433 7.048 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.557 7.615 4.877 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.808 7.487 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.696 9.088 5.866 1.00 0.00 H new ATOM 442 N ASP A 90 -1.069 10.034 4.815 1.00 0.00 N ATOM 443 CA ASP A 90 -0.550 10.808 3.647 1.00 0.00 C ATOM 444 C ASP A 90 0.810 10.318 3.125 1.00 0.00 C ATOM 445 O ASP A 90 0.936 9.951 1.939 1.00 0.00 O ATOM 446 CB ASP A 90 -0.475 12.298 3.969 1.00 0.00 C ATOM 447 CG ASP A 90 0.066 13.103 2.802 1.00 0.00 C ATOM 448 OD1 ASP A 90 -0.690 13.322 1.836 1.00 0.00 O ATOM 449 OD2 ASP A 90 1.237 13.516 2.859 1.00 0.00 O ATOM 0 H ASP A 90 -1.365 10.621 5.595 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.269 10.637 2.846 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.468 12.663 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.162 12.449 4.841 1.00 0.00 H new ATOM 454 N ASP A 91 1.797 10.229 4.020 1.00 0.00 N ATOM 455 CA ASP A 91 3.166 9.816 3.644 1.00 0.00 C ATOM 456 C ASP A 91 3.193 8.419 3.043 1.00 0.00 C ATOM 457 O ASP A 91 4.055 8.101 2.212 1.00 0.00 O ATOM 458 CB ASP A 91 4.180 9.913 4.821 1.00 0.00 C ATOM 459 CG ASP A 91 3.875 9.002 6.007 1.00 0.00 C ATOM 460 OD1 ASP A 91 4.087 7.763 5.924 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.423 9.500 7.060 1.00 0.00 O ATOM 0 H ASP A 91 1.681 10.436 5.012 1.00 0.00 H new ATOM 0 HA ASP A 91 3.483 10.529 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.175 9.675 4.445 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.210 10.945 5.172 1.00 0.00 H new ATOM 466 N VAL A 92 2.223 7.609 3.404 1.00 0.00 N ATOM 467 CA VAL A 92 2.139 6.264 2.905 1.00 0.00 C ATOM 468 C VAL A 92 1.684 6.295 1.454 1.00 0.00 C ATOM 469 O VAL A 92 2.273 5.623 0.604 1.00 0.00 O ATOM 470 CB VAL A 92 1.172 5.392 3.738 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.213 3.956 3.280 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.493 5.478 5.208 1.00 0.00 C ATOM 0 H VAL A 92 1.476 7.867 4.049 1.00 0.00 H new ATOM 0 HA VAL A 92 3.129 5.816 2.983 1.00 0.00 H new ATOM 0 HB VAL A 92 0.164 5.777 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.524 3.363 3.881 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.920 3.900 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.224 3.566 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.797 4.855 5.769 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.511 5.129 5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.403 6.512 5.540 1.00 0.00 H new ATOM 482 N TYR A 93 0.683 7.135 1.154 1.00 0.00 N ATOM 483 CA TYR A 93 0.164 7.243 -0.214 1.00 0.00 C ATOM 484 C TYR A 93 1.238 7.710 -1.148 1.00 0.00 C ATOM 485 O TYR A 93 1.407 7.168 -2.238 1.00 0.00 O ATOM 486 CB TYR A 93 -1.056 8.179 -0.359 1.00 0.00 C ATOM 487 CG TYR A 93 -2.357 7.682 0.230 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.482 7.395 1.565 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.476 7.526 -0.581 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.678 6.958 2.090 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.677 7.086 -0.067 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.771 6.804 1.271 1.00 0.00 C ATOM 493 OH TYR A 93 -5.961 6.369 1.795 1.00 0.00 O ATOM 0 H TYR A 93 0.222 7.742 1.832 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.170 6.238 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.812 9.133 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.213 8.374 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.628 7.514 2.216 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.403 7.754 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.757 6.737 3.144 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.535 6.965 -0.712 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.632 6.315 1.083 1.00 0.00 H new ATOM 503 N GLN A 94 1.999 8.681 -0.706 1.00 0.00 N ATOM 504 CA GLN A 94 3.035 9.240 -1.540 1.00 0.00 C ATOM 505 C GLN A 94 4.212 8.303 -1.661 1.00 0.00 C ATOM 506 O GLN A 94 4.919 8.354 -2.623 1.00 0.00 O ATOM 507 CB GLN A 94 3.431 10.666 -1.107 1.00 0.00 C ATOM 508 CG GLN A 94 4.065 10.813 0.264 1.00 0.00 C ATOM 509 CD GLN A 94 5.583 10.660 0.293 1.00 0.00 C ATOM 510 OE1 GLN A 94 6.312 11.610 0.063 1.00 0.00 O ATOM 511 NE2 GLN A 94 6.059 9.517 0.696 1.00 0.00 N ATOM 0 H GLN A 94 1.922 9.099 0.221 1.00 0.00 H new ATOM 0 HA GLN A 94 2.624 9.348 -2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 94 4.125 11.065 -1.847 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.538 11.291 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.806 11.793 0.664 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.627 10.071 0.931 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.427 8.738 0.881 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.064 9.400 0.826 1.00 0.00 H new ATOM 520 N LYS A 95 4.377 7.416 -0.691 1.00 0.00 N ATOM 521 CA LYS A 95 5.461 6.442 -0.730 1.00 0.00 C ATOM 522 C LYS A 95 5.063 5.322 -1.683 1.00 0.00 C ATOM 523 O LYS A 95 5.888 4.748 -2.386 1.00 0.00 O ATOM 524 CB LYS A 95 5.758 5.916 0.712 1.00 0.00 C ATOM 525 CG LYS A 95 7.004 5.014 0.893 1.00 0.00 C ATOM 526 CD LYS A 95 6.814 3.598 0.350 1.00 0.00 C ATOM 527 CE LYS A 95 8.051 2.741 0.570 1.00 0.00 C ATOM 528 NZ LYS A 95 7.867 1.369 0.051 1.00 0.00 N ATOM 0 H LYS A 95 3.777 7.349 0.131 1.00 0.00 H new ATOM 0 HA LYS A 95 6.381 6.898 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.866 6.778 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.886 5.360 1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.854 5.476 0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.252 4.958 1.953 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.957 3.133 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.588 3.644 -0.715 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.906 3.204 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.280 2.699 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.323 0.691 0.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.851 1.156 -0.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.297 1.294 -0.893 1.00 0.00 H new ATOM 542 N TRP A 96 3.795 5.016 -1.717 1.00 0.00 N ATOM 543 CA TRP A 96 3.329 3.989 -2.609 1.00 0.00 C ATOM 544 C TRP A 96 3.293 4.515 -4.029 1.00 0.00 C ATOM 545 O TRP A 96 3.614 3.794 -4.975 1.00 0.00 O ATOM 546 CB TRP A 96 1.994 3.393 -2.140 1.00 0.00 C ATOM 547 CG TRP A 96 2.096 2.626 -0.826 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.164 2.592 0.030 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.088 1.802 -0.222 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.875 1.823 1.123 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.611 1.328 0.995 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.201 1.427 -0.581 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.885 0.508 1.847 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.918 0.611 0.273 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.375 0.164 1.470 1.00 0.00 C ATOM 0 H TRP A 96 3.074 5.456 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 96 4.033 3.157 -2.595 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.267 4.197 -2.026 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.613 2.725 -2.912 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.102 3.101 -0.135 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.503 1.648 1.907 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.634 1.767 -1.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.306 0.155 2.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.921 0.315 0.004 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.966 -0.470 2.115 1.00 0.00 H new ATOM 566 N ALA A 97 2.963 5.785 -4.160 1.00 0.00 N ATOM 567 CA ALA A 97 3.010 6.457 -5.436 1.00 0.00 C ATOM 568 C ALA A 97 4.464 6.629 -5.877 1.00 0.00 C ATOM 569 O ALA A 97 4.772 6.488 -7.053 1.00 0.00 O ATOM 570 CB ALA A 97 2.310 7.806 -5.359 1.00 0.00 C ATOM 0 H ALA A 97 2.656 6.375 -3.386 1.00 0.00 H new ATOM 0 HA ALA A 97 2.487 5.849 -6.174 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.357 8.296 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.268 7.659 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.804 8.430 -4.614 1.00 0.00 H new ATOM 576 N ASP A 98 5.357 6.903 -4.905 1.00 0.00 N ATOM 577 CA ASP A 98 6.818 7.064 -5.177 1.00 0.00 C ATOM 578 C ASP A 98 7.436 5.818 -5.834 1.00 0.00 C ATOM 579 O ASP A 98 8.345 5.917 -6.649 1.00 0.00 O ATOM 580 CB ASP A 98 7.591 7.488 -3.881 1.00 0.00 C ATOM 581 CG ASP A 98 8.763 6.585 -3.477 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.881 6.724 -4.017 1.00 0.00 O ATOM 583 OD2 ASP A 98 8.598 5.703 -2.573 1.00 0.00 O ATOM 0 H ASP A 98 5.103 7.019 -3.924 1.00 0.00 H new ATOM 0 HA ASP A 98 6.921 7.871 -5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.969 8.501 -4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.882 7.524 -3.053 1.00 0.00 H new ATOM 588 N LYS A 99 6.908 4.659 -5.509 1.00 0.00 N ATOM 589 CA LYS A 99 7.416 3.418 -6.083 1.00 0.00 C ATOM 590 C LYS A 99 6.542 2.914 -7.215 1.00 0.00 C ATOM 591 O LYS A 99 6.815 1.869 -7.800 1.00 0.00 O ATOM 592 CB LYS A 99 7.558 2.356 -5.013 1.00 0.00 C ATOM 593 CG LYS A 99 8.578 2.690 -3.947 1.00 0.00 C ATOM 594 CD LYS A 99 9.991 2.739 -4.539 1.00 0.00 C ATOM 595 CE LYS A 99 11.038 3.146 -3.512 1.00 0.00 C ATOM 596 NZ LYS A 99 10.860 4.533 -3.054 1.00 0.00 N ATOM 0 H LYS A 99 6.133 4.542 -4.856 1.00 0.00 H new ATOM 0 HA LYS A 99 8.399 3.634 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.589 2.201 -4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.836 1.414 -5.485 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.335 3.651 -3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.538 1.944 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.246 1.760 -4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.009 3.443 -5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.985 2.473 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.032 3.033 -3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 11.669 4.810 -2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.801 5.166 -3.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.984 4.605 -2.498 1.00 0.00 H new ATOM 610 N GLY A 100 5.499 3.653 -7.514 1.00 0.00 N ATOM 611 CA GLY A 100 4.610 3.285 -8.586 1.00 0.00 C ATOM 612 C GLY A 100 3.749 2.076 -8.269 1.00 0.00 C ATOM 613 O GLY A 100 3.291 1.377 -9.187 1.00 0.00 O ATOM 0 H GLY A 100 5.247 4.514 -7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 100 3.963 4.131 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.198 3.078 -9.480 1.00 0.00 H new ATOM 617 N TYR A 101 3.523 1.805 -6.985 1.00 0.00 N ATOM 618 CA TYR A 101 2.664 0.696 -6.620 1.00 0.00 C ATOM 619 C TYR A 101 1.231 1.024 -6.985 1.00 0.00 C ATOM 620 O TYR A 101 0.623 1.956 -6.448 1.00 0.00 O ATOM 621 CB TYR A 101 2.787 0.309 -5.136 1.00 0.00 C ATOM 622 CG TYR A 101 4.168 -0.177 -4.745 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.808 -1.173 -5.476 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.827 0.353 -3.648 1.00 0.00 C ATOM 625 CE1 TYR A 101 6.067 -1.618 -5.132 1.00 0.00 C ATOM 626 CE2 TYR A 101 6.086 -0.091 -3.294 1.00 0.00 C ATOM 627 CZ TYR A 101 6.702 -1.077 -4.042 1.00 0.00 C ATOM 628 OH TYR A 101 7.968 -1.496 -3.711 1.00 0.00 O ATOM 0 H TYR A 101 3.915 2.328 -6.202 1.00 0.00 H new ATOM 0 HA TYR A 101 2.991 -0.177 -7.184 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.528 1.172 -4.522 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.060 -0.472 -4.912 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.309 -1.606 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.350 1.124 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.550 -2.387 -5.716 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.588 0.331 -2.436 1.00 0.00 H new ATOM 0 HH TYR A 101 8.236 -1.087 -2.862 1.00 0.00 H new ATOM 638 N THR A 102 0.712 0.285 -7.919 1.00 0.00 N ATOM 639 CA THR A 102 -0.599 0.512 -8.430 1.00 0.00 C ATOM 640 C THR A 102 -1.612 -0.454 -7.828 1.00 0.00 C ATOM 641 O THR A 102 -1.237 -1.467 -7.237 1.00 0.00 O ATOM 642 CB THR A 102 -0.582 0.394 -9.960 1.00 0.00 C ATOM 643 OG1 THR A 102 0.125 -0.799 -10.331 1.00 0.00 O ATOM 644 CG2 THR A 102 0.088 1.606 -10.596 1.00 0.00 C ATOM 0 H THR A 102 1.197 -0.502 -8.351 1.00 0.00 H new ATOM 0 HA THR A 102 -0.907 1.519 -8.148 1.00 0.00 H new ATOM 0 HB THR A 102 -1.610 0.348 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.138 -0.881 -11.307 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.086 1.496 -11.680 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.458 2.509 -10.322 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.116 1.682 -10.241 1.00 0.00 H new ATOM 652 N LEU A 103 -2.890 -0.142 -8.023 1.00 0.00 N ATOM 653 CA LEU A 103 -4.032 -0.914 -7.496 1.00 0.00 C ATOM 654 C LEU A 103 -3.957 -2.399 -7.841 1.00 0.00 C ATOM 655 O LEU A 103 -4.348 -3.245 -7.052 1.00 0.00 O ATOM 656 CB LEU A 103 -5.330 -0.356 -8.065 1.00 0.00 C ATOM 657 CG LEU A 103 -5.630 1.109 -7.777 1.00 0.00 C ATOM 658 CD1 LEU A 103 -6.896 1.523 -8.500 1.00 0.00 C ATOM 659 CD2 LEU A 103 -5.766 1.347 -6.278 1.00 0.00 C ATOM 0 H LEU A 103 -3.177 0.674 -8.564 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.999 -0.819 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.314 -0.494 -9.146 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.155 -0.954 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 103 -4.800 1.716 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.108 2.572 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.764 1.386 -9.573 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.729 0.910 -8.156 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.980 2.400 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.580 0.737 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.835 1.074 -5.780 1.00 0.00 H new ATOM 671 N THR A 104 -3.454 -2.706 -9.005 1.00 0.00 N ATOM 672 CA THR A 104 -3.382 -4.072 -9.445 1.00 0.00 C ATOM 673 C THR A 104 -2.258 -4.839 -8.720 1.00 0.00 C ATOM 674 O THR A 104 -2.412 -6.013 -8.383 1.00 0.00 O ATOM 675 CB THR A 104 -3.252 -4.162 -10.992 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.138 -5.523 -11.418 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.071 -3.339 -11.503 1.00 0.00 C ATOM 0 H THR A 104 -3.086 -2.025 -9.669 1.00 0.00 H new ATOM 0 HA THR A 104 -4.320 -4.558 -9.176 1.00 0.00 H new ATOM 0 HB THR A 104 -4.162 -3.742 -11.421 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.059 -5.555 -12.394 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.010 -3.425 -12.588 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.211 -2.293 -11.229 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.148 -3.711 -11.057 1.00 0.00 H new ATOM 685 N GLN A 105 -1.171 -4.149 -8.411 1.00 0.00 N ATOM 686 CA GLN A 105 -0.040 -4.767 -7.726 1.00 0.00 C ATOM 687 C GLN A 105 -0.310 -4.786 -6.248 1.00 0.00 C ATOM 688 O GLN A 105 0.206 -5.617 -5.512 1.00 0.00 O ATOM 689 CB GLN A 105 1.258 -4.022 -8.040 1.00 0.00 C ATOM 690 CG GLN A 105 1.580 -3.958 -9.526 1.00 0.00 C ATOM 691 CD GLN A 105 1.577 -5.326 -10.184 1.00 0.00 C ATOM 692 OE1 GLN A 105 0.554 -5.785 -10.682 1.00 0.00 O ATOM 693 NE2 GLN A 105 2.702 -5.988 -10.173 1.00 0.00 N ATOM 0 H GLN A 105 -1.045 -3.159 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 105 0.081 -5.791 -8.078 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.189 -3.007 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.082 -4.509 -7.519 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.852 -3.318 -10.024 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.558 -3.496 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.533 -5.575 -9.750 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.750 -6.919 -10.588 1.00 0.00 H new ATOM 702 N LEU A 106 -1.195 -3.894 -5.840 1.00 0.00 N ATOM 703 CA LEU A 106 -1.639 -3.771 -4.469 1.00 0.00 C ATOM 704 C LEU A 106 -2.395 -5.048 -4.068 1.00 0.00 C ATOM 705 O LEU A 106 -2.528 -5.377 -2.885 1.00 0.00 O ATOM 706 CB LEU A 106 -2.556 -2.546 -4.356 1.00 0.00 C ATOM 707 CG LEU A 106 -2.787 -1.991 -2.961 1.00 0.00 C ATOM 708 CD1 LEU A 106 -1.480 -1.475 -2.399 1.00 0.00 C ATOM 709 CD2 LEU A 106 -3.823 -0.877 -2.995 1.00 0.00 C ATOM 0 H LEU A 106 -1.633 -3.221 -6.469 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.787 -3.643 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.138 -1.751 -4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.525 -2.806 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.164 -2.788 -2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.646 -1.077 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.758 -2.290 -2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.093 -0.686 -3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.976 -0.491 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.472 -0.073 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.765 -1.268 -3.381 1.00 0.00 H new ATOM 721 N SER A 107 -2.836 -5.772 -5.079 1.00 0.00 N ATOM 722 CA SER A 107 -3.535 -7.015 -4.927 1.00 0.00 C ATOM 723 C SER A 107 -2.603 -8.110 -4.402 1.00 0.00 C ATOM 724 O SER A 107 -3.056 -9.081 -3.813 1.00 0.00 O ATOM 725 CB SER A 107 -4.151 -7.418 -6.272 1.00 0.00 C ATOM 726 OG SER A 107 -4.811 -8.680 -6.216 1.00 0.00 O ATOM 0 H SER A 107 -2.710 -5.496 -6.053 1.00 0.00 H new ATOM 0 HA SER A 107 -4.331 -6.887 -4.193 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.862 -6.654 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.368 -7.455 -7.030 1.00 0.00 H new ATOM 0 HG SER A 107 -5.188 -8.891 -7.096 1.00 0.00 H new ATOM 732 N ASP A 108 -1.328 -7.980 -4.670 1.00 0.00 N ATOM 733 CA ASP A 108 -0.349 -8.931 -4.167 1.00 0.00 C ATOM 734 C ASP A 108 0.076 -8.546 -2.755 1.00 0.00 C ATOM 735 O ASP A 108 0.590 -9.371 -1.972 1.00 0.00 O ATOM 736 CB ASP A 108 0.855 -9.042 -5.116 1.00 0.00 C ATOM 737 CG ASP A 108 1.939 -9.985 -4.612 1.00 0.00 C ATOM 738 OD1 ASP A 108 1.684 -11.196 -4.419 1.00 0.00 O ATOM 739 OD2 ASP A 108 3.052 -9.549 -4.383 1.00 0.00 O ATOM 0 H ASP A 108 -0.936 -7.226 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.809 -9.918 -4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.509 -9.386 -6.091 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.285 -8.051 -5.262 1.00 0.00 H new ATOM 744 N PHE A 109 -0.136 -7.283 -2.422 1.00 0.00 N ATOM 745 CA PHE A 109 0.301 -6.786 -1.133 1.00 0.00 C ATOM 746 C PHE A 109 -0.767 -6.843 -0.062 1.00 0.00 C ATOM 747 O PHE A 109 -0.533 -7.367 1.032 1.00 0.00 O ATOM 748 CB PHE A 109 0.838 -5.356 -1.218 1.00 0.00 C ATOM 749 CG PHE A 109 1.905 -5.114 -2.238 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.979 -5.959 -2.349 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.817 -4.034 -3.095 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.951 -5.740 -3.287 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.785 -3.804 -4.043 1.00 0.00 C ATOM 754 CZ PHE A 109 3.857 -4.659 -4.140 1.00 0.00 C ATOM 0 H PHE A 109 -0.600 -6.596 -3.016 1.00 0.00 H new ATOM 0 HA PHE A 109 1.104 -7.464 -0.842 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.003 -4.688 -1.430 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.229 -5.078 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.059 -6.809 -1.687 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.976 -3.361 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.792 -6.413 -3.360 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.704 -2.957 -4.708 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.623 -4.485 -4.881 1.00 0.00 H new ATOM 764 N LEU A 110 -1.921 -6.343 -0.354 1.00 0.00 N ATOM 765 CA LEU A 110 -2.954 -6.237 0.656 1.00 0.00 C ATOM 766 C LEU A 110 -3.929 -7.363 0.588 1.00 0.00 C ATOM 767 O LEU A 110 -4.145 -8.076 1.578 1.00 0.00 O ATOM 768 CB LEU A 110 -3.723 -4.899 0.543 1.00 0.00 C ATOM 769 CG LEU A 110 -3.087 -3.635 1.157 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.720 -3.360 0.594 1.00 0.00 C ATOM 771 CD2 LEU A 110 -3.986 -2.436 0.930 1.00 0.00 C ATOM 0 H LEU A 110 -2.185 -5.999 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.439 -6.280 1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.896 -4.703 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.700 -5.037 1.005 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.975 -3.814 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.311 -2.461 1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.064 -4.205 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.793 -3.214 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.527 -1.549 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.124 -2.282 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.954 -2.613 1.399 1.00 0.00 H new ATOM 783 N LYS A 111 -4.409 -7.602 -0.581 1.00 0.00 N ATOM 784 CA LYS A 111 -5.587 -8.441 -0.762 1.00 0.00 C ATOM 785 C LYS A 111 -5.787 -8.775 -2.205 1.00 0.00 C ATOM 786 O LYS A 111 -5.692 -7.909 -3.066 1.00 0.00 O ATOM 787 CB LYS A 111 -6.844 -7.698 -0.179 1.00 0.00 C ATOM 788 CG LYS A 111 -8.248 -8.212 -0.590 1.00 0.00 C ATOM 789 CD LYS A 111 -8.481 -9.691 -0.286 1.00 0.00 C ATOM 790 CE LYS A 111 -9.927 -10.115 -0.603 1.00 0.00 C ATOM 791 NZ LYS A 111 -10.370 -9.726 -1.978 1.00 0.00 N ATOM 0 H LYS A 111 -4.015 -7.234 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.445 -9.380 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.780 -7.736 0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.775 -6.649 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.005 -7.622 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.387 -8.045 -1.658 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.788 -10.296 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.267 -9.885 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -10.014 -11.196 -0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.599 -9.665 0.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.296 -10.155 -2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.448 -8.691 -2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.675 -10.062 -2.675 1.00 0.00 H new ATOM 905 N TYR A 118 -8.836 -5.053 4.001 1.00 0.00 N ATOM 906 CA TYR A 118 -8.100 -3.820 3.778 1.00 0.00 C ATOM 907 C TYR A 118 -8.892 -2.947 2.831 1.00 0.00 C ATOM 908 O TYR A 118 -8.348 -2.088 2.166 1.00 0.00 O ATOM 909 CB TYR A 118 -6.720 -4.125 3.181 1.00 0.00 C ATOM 910 CG TYR A 118 -5.827 -4.964 4.068 1.00 0.00 C ATOM 911 CD1 TYR A 118 -4.996 -4.370 5.011 1.00 0.00 C ATOM 912 CD2 TYR A 118 -5.813 -6.347 3.962 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.178 -5.133 5.821 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.000 -7.115 4.767 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.185 -6.505 5.694 1.00 0.00 C ATOM 916 OH TYR A 118 -3.371 -7.274 6.492 1.00 0.00 O ATOM 0 HA TYR A 118 -7.956 -3.303 4.727 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.855 -4.641 2.230 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.215 -3.184 2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.990 -3.295 5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.450 -6.830 3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.537 -4.658 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.002 -8.191 4.671 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.660 -8.209 6.449 1.00 0.00 H new ATOM 926 N ASP A 119 -10.192 -3.170 2.834 1.00 0.00 N ATOM 927 CA ASP A 119 -11.170 -2.504 1.961 1.00 0.00 C ATOM 928 C ASP A 119 -10.956 -0.998 1.913 1.00 0.00 C ATOM 929 O ASP A 119 -10.682 -0.424 0.859 1.00 0.00 O ATOM 930 CB ASP A 119 -12.565 -2.781 2.509 1.00 0.00 C ATOM 931 CG ASP A 119 -13.645 -2.290 1.603 1.00 0.00 C ATOM 932 OD1 ASP A 119 -13.974 -3.008 0.670 1.00 0.00 O ATOM 933 OD2 ASP A 119 -14.176 -1.181 1.807 1.00 0.00 O ATOM 0 H ASP A 119 -10.624 -3.845 3.465 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.050 -2.893 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.685 -3.853 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.669 -2.305 3.484 1.00 0.00 H new ATOM 938 N ARG A 120 -11.003 -0.403 3.087 1.00 0.00 N ATOM 939 CA ARG A 120 -10.882 1.036 3.279 1.00 0.00 C ATOM 940 C ARG A 120 -9.569 1.600 2.743 1.00 0.00 C ATOM 941 O ARG A 120 -9.557 2.645 2.106 1.00 0.00 O ATOM 942 CB ARG A 120 -11.021 1.364 4.761 1.00 0.00 C ATOM 943 CG ARG A 120 -12.391 1.051 5.339 1.00 0.00 C ATOM 944 CD ARG A 120 -12.413 1.274 6.839 1.00 0.00 C ATOM 945 NE ARG A 120 -11.581 0.291 7.560 1.00 0.00 N ATOM 946 CZ ARG A 120 -11.081 0.467 8.791 1.00 0.00 C ATOM 947 NH1 ARG A 120 -11.291 1.614 9.442 1.00 0.00 N ATOM 948 NH2 ARG A 120 -10.362 -0.504 9.364 1.00 0.00 N ATOM 0 H ARG A 120 -11.130 -0.916 3.959 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.683 1.506 2.708 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -10.268 0.807 5.318 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.809 2.423 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -13.143 1.681 4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -12.655 0.017 5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -12.058 2.280 7.060 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.440 1.212 7.199 1.00 0.00 H new ATOM 0 HE ARG A 120 -11.371 -0.588 7.086 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.833 2.358 9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.910 1.746 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -10.195 -1.377 8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -9.981 -0.371 10.301 1.00 0.00 H new ATOM 962 N VAL A 121 -8.482 0.897 2.981 1.00 0.00 N ATOM 963 CA VAL A 121 -7.183 1.389 2.572 1.00 0.00 C ATOM 964 C VAL A 121 -6.931 1.141 1.077 1.00 0.00 C ATOM 965 O VAL A 121 -6.491 2.034 0.364 1.00 0.00 O ATOM 966 CB VAL A 121 -6.008 0.832 3.468 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.000 -0.671 3.539 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.668 1.335 2.972 1.00 0.00 C ATOM 0 H VAL A 121 -8.471 -0.008 3.451 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.197 2.468 2.728 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.182 1.206 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.173 -1.001 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.941 -1.020 3.965 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.881 -1.082 2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.874 0.938 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.513 1.005 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.652 2.424 3.009 1.00 0.00 H new ATOM 978 N TYR A 122 -7.286 -0.041 0.615 1.00 0.00 N ATOM 979 CA TYR A 122 -7.053 -0.462 -0.757 1.00 0.00 C ATOM 980 C TYR A 122 -7.877 0.414 -1.716 1.00 0.00 C ATOM 981 O TYR A 122 -7.329 1.114 -2.572 1.00 0.00 O ATOM 982 CB TYR A 122 -7.468 -1.938 -0.880 1.00 0.00 C ATOM 983 CG TYR A 122 -7.044 -2.654 -2.143 1.00 0.00 C ATOM 984 CD1 TYR A 122 -7.416 -2.198 -3.393 1.00 0.00 C ATOM 985 CD2 TYR A 122 -6.304 -3.821 -2.067 1.00 0.00 C ATOM 986 CE1 TYR A 122 -7.068 -2.870 -4.528 1.00 0.00 C ATOM 987 CE2 TYR A 122 -5.940 -4.505 -3.200 1.00 0.00 C ATOM 988 CZ TYR A 122 -6.322 -4.031 -4.432 1.00 0.00 C ATOM 989 OH TYR A 122 -5.986 -4.735 -5.572 1.00 0.00 O ATOM 0 H TYR A 122 -7.750 -0.747 1.187 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.001 -0.352 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.059 -2.480 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.554 -1.995 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -7.995 -1.290 -3.473 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.008 -4.200 -1.100 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -7.373 -2.498 -5.495 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -5.357 -5.411 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 122 -5.590 -4.125 -6.228 1.00 0.00 H new ATOM 999 N ASN A 123 -9.184 0.364 -1.547 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.144 1.137 -2.353 1.00 0.00 C ATOM 1001 C ASN A 123 -9.930 2.643 -2.159 1.00 0.00 C ATOM 1002 O ASN A 123 -10.201 3.429 -3.054 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.586 0.744 -1.965 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.660 1.361 -2.852 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.048 0.782 -3.858 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -13.166 2.511 -2.476 1.00 0.00 N ATOM 0 H ASN A 123 -9.628 -0.220 -0.838 1.00 0.00 H new ATOM 0 HA ASN A 123 -9.982 0.906 -3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.678 -0.341 -2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.767 1.043 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.905 2.948 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.821 2.969 -1.632 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.404 3.030 -0.995 1.00 0.00 N ATOM 1014 CA GLY A 124 -9.134 4.433 -0.708 1.00 0.00 C ATOM 1015 C GLY A 124 -8.080 5.008 -1.636 1.00 0.00 C ATOM 1016 O GLY A 124 -8.078 6.198 -1.934 1.00 0.00 O ATOM 0 H GLY A 124 -9.158 2.390 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.055 5.007 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.802 4.535 0.325 1.00 0.00 H new ATOM 1020 N TYR A 125 -7.193 4.150 -2.110 1.00 0.00 N ATOM 1021 CA TYR A 125 -6.169 4.548 -3.050 1.00 0.00 C ATOM 1022 C TYR A 125 -6.714 4.848 -4.417 1.00 0.00 C ATOM 1023 O TYR A 125 -6.104 5.580 -5.137 1.00 0.00 O ATOM 1024 CB TYR A 125 -5.038 3.534 -3.158 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.939 3.750 -2.167 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -3.985 3.188 -0.909 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -2.838 4.532 -2.499 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -2.975 3.397 -0.007 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.831 4.738 -1.613 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.896 4.172 -0.368 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.885 4.392 0.525 1.00 0.00 O ATOM 0 H TYR A 125 -7.165 3.163 -1.853 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.760 5.471 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -5.446 2.532 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -4.621 3.574 -4.164 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -4.829 2.574 -0.631 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -2.783 4.983 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -3.025 2.958 0.978 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -0.982 5.346 -1.889 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.221 3.675 0.450 1.00 0.00 H new ATOM 1041 N MET A 126 -7.878 4.309 -4.753 1.00 0.00 N ATOM 1042 CA MET A 126 -8.470 4.435 -6.111 1.00 0.00 C ATOM 1043 C MET A 126 -8.468 5.889 -6.625 1.00 0.00 C ATOM 1044 O MET A 126 -8.252 6.136 -7.813 1.00 0.00 O ATOM 1045 CB MET A 126 -9.901 3.876 -6.122 1.00 0.00 C ATOM 1046 CG MET A 126 -10.545 3.851 -7.497 1.00 0.00 C ATOM 1047 SD MET A 126 -12.274 3.324 -7.476 1.00 0.00 S ATOM 1048 CE MET A 126 -12.126 1.639 -6.882 1.00 0.00 C ATOM 0 H MET A 126 -8.451 3.769 -4.104 1.00 0.00 H new ATOM 0 HA MET A 126 -7.843 3.853 -6.786 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.887 2.863 -5.720 1.00 0.00 H new ATOM 0 HB3 MET A 126 -10.519 4.475 -5.454 1.00 0.00 H new ATOM 0 HG2 MET A 126 -10.482 4.846 -7.937 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.977 3.181 -8.143 1.00 0.00 H new ATOM 0 HE1 MET A 126 -13.104 1.159 -6.903 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.437 1.087 -7.521 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.746 1.645 -5.860 1.00 0.00 H new ATOM 1058 N THR A 127 -8.640 6.820 -5.718 1.00 0.00 N ATOM 1059 CA THR A 127 -8.690 8.225 -6.029 1.00 0.00 C ATOM 1060 C THR A 127 -7.312 8.797 -6.503 1.00 0.00 C ATOM 1061 O THR A 127 -7.286 9.722 -7.260 1.00 0.00 O ATOM 1062 CB THR A 127 -9.185 8.985 -4.782 1.00 0.00 C ATOM 1063 OG1 THR A 127 -10.372 8.325 -4.299 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.521 10.438 -5.105 1.00 0.00 C ATOM 0 H THR A 127 -8.751 6.617 -4.725 1.00 0.00 H new ATOM 0 HA THR A 127 -9.377 8.361 -6.864 1.00 0.00 H new ATOM 0 HB THR A 127 -8.394 8.983 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 127 -10.705 8.791 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.866 10.941 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.632 10.942 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.306 10.471 -5.861 1.00 0.00 H new ATOM 1072 N TYR A 128 -6.185 8.163 -6.116 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.828 8.718 -6.419 1.00 0.00 C ATOM 1074 C TYR A 128 -4.496 8.611 -7.913 1.00 0.00 C ATOM 1075 O TYR A 128 -3.509 9.185 -8.388 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.697 8.045 -5.557 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.991 6.821 -6.183 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.686 5.681 -6.531 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.620 6.840 -6.440 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.075 4.603 -7.098 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.990 5.752 -7.022 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.733 4.636 -7.345 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.140 3.554 -7.943 1.00 0.00 O ATOM 0 H TYR A 128 -6.175 7.282 -5.602 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.863 9.773 -6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.941 8.799 -5.336 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -4.130 7.739 -4.604 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.750 5.642 -6.348 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -1.042 7.715 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.651 3.725 -7.351 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.071 5.778 -7.221 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.521 3.130 -7.312 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.315 7.837 -8.631 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.097 7.527 -10.043 1.00 0.00 C ATOM 1095 C ARG A 129 -5.073 8.739 -10.994 1.00 0.00 C ATOM 1096 O ARG A 129 -4.805 8.563 -12.191 1.00 0.00 O ATOM 1097 CB ARG A 129 -6.105 6.479 -10.575 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.892 5.020 -10.128 1.00 0.00 C ATOM 1099 CD ARG A 129 -4.453 4.537 -10.364 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.849 5.115 -11.575 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.663 5.741 -11.539 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.818 5.475 -10.561 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.307 6.578 -12.502 1.00 0.00 N ATOM 0 H ARG A 129 -6.154 7.406 -8.244 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.089 7.113 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -7.106 6.785 -10.270 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.081 6.507 -11.664 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.133 4.929 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.582 4.373 -10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.841 4.796 -9.500 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.448 3.450 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.344 5.038 -12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.069 4.798 -9.840 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.914 5.946 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.938 6.754 -13.284 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.402 7.047 -12.461 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.362 9.923 -10.500 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.357 11.113 -11.340 1.00 0.00 C ATOM 1119 C ASP A 130 -4.063 11.912 -11.158 1.00 0.00 C ATOM 1120 O ASP A 130 -3.712 12.732 -12.012 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.576 12.011 -11.037 1.00 0.00 C ATOM 1122 CG ASP A 130 -6.513 12.672 -9.669 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -6.132 11.985 -8.696 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -6.822 13.881 -9.570 1.00 0.00 O ATOM 0 H ASP A 130 -5.604 10.093 -9.524 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.417 10.780 -12.376 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.648 12.783 -11.803 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.484 11.412 -11.102 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.337 11.662 -10.069 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.129 12.439 -9.810 1.00 0.00 C ATOM 1131 C TYR A 131 -0.849 11.703 -10.180 1.00 0.00 C ATOM 1132 O TYR A 131 0.097 12.324 -10.674 1.00 0.00 O ATOM 1133 CB TYR A 131 -2.043 12.884 -8.340 1.00 0.00 C ATOM 1134 CG TYR A 131 -3.197 13.735 -7.870 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -3.528 14.912 -8.526 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -3.967 13.351 -6.779 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -4.589 15.684 -8.109 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -5.035 14.118 -6.356 1.00 0.00 C ATOM 1139 CZ TYR A 131 -5.339 15.284 -7.025 1.00 0.00 C ATOM 1140 OH TYR A 131 -6.411 16.043 -6.626 1.00 0.00 O ATOM 0 H TYR A 131 -3.556 10.950 -9.372 1.00 0.00 H new ATOM 0 HA TYR A 131 -2.212 13.314 -10.454 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -1.983 11.997 -7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -1.117 13.441 -8.197 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -2.944 15.228 -9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -3.727 12.439 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -4.832 16.599 -8.629 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.627 13.807 -5.508 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.836 15.625 -5.848 1.00 0.00 H new ATOM 1150 N VAL A 132 -0.803 10.401 -9.943 1.00 0.00 N ATOM 1151 CA VAL A 132 0.401 9.614 -10.227 1.00 0.00 C ATOM 1152 C VAL A 132 -0.026 8.245 -10.724 1.00 0.00 C ATOM 1153 O VAL A 132 -0.231 8.069 -11.936 1.00 0.00 O ATOM 1154 CB VAL A 132 1.328 9.415 -8.959 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.618 8.684 -9.332 1.00 0.00 C ATOM 1156 CG2 VAL A 132 1.660 10.734 -8.262 1.00 0.00 C ATOM 1157 OXT VAL A 132 -0.210 7.345 -9.893 1.00 0.00 O ATOM 0 H VAL A 132 -1.579 9.863 -9.556 1.00 0.00 H new ATOM 0 HA VAL A 132 0.978 10.162 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 132 0.760 8.805 -8.256 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.236 8.560 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 132 2.375 7.705 -9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 132 3.164 9.265 -10.075 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.298 10.539 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.181 11.392 -8.958 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.738 11.213 -7.931 1.00 0.00 H new