USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 372 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 126 ASN : amide:sc= -0.629 K(o=-0.63,f=-3.1!) USER MOD Single : A 132 MET CE :methyl 165:sc= -4.29 (180deg=-5.27!) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 TYR OH : rot 30:sc= 0 USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.57) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 126 -1.301 11.568 -13.344 1.00 0.00 N ATOM 2 CA ASN A 126 -0.638 11.140 -12.084 1.00 0.00 C ATOM 3 C ASN A 126 -1.109 9.754 -11.656 1.00 0.00 C ATOM 4 O ASN A 126 -1.894 9.111 -12.354 1.00 0.00 O ATOM 5 CB ASN A 126 -0.955 12.166 -10.994 1.00 0.00 C ATOM 6 CG ASN A 126 -2.444 12.302 -10.744 1.00 0.00 C ATOM 7 OD1 ASN A 126 -3.129 11.322 -10.451 1.00 0.00 O ATOM 8 ND2 ASN A 126 -2.954 13.523 -10.858 1.00 0.00 N ATOM 0 HA ASN A 126 0.438 11.084 -12.247 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -0.459 11.874 -10.068 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -0.548 13.135 -11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -3.950 13.676 -10.701 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.350 14.307 -11.103 1.00 0.00 H new ATOM 17 N ARG A 127 -0.626 9.299 -10.505 1.00 0.00 N ATOM 18 CA ARG A 127 -0.997 7.988 -9.983 1.00 0.00 C ATOM 19 C ARG A 127 -2.382 8.029 -9.345 1.00 0.00 C ATOM 20 O ARG A 127 -2.640 8.833 -8.450 1.00 0.00 O ATOM 21 CB ARG A 127 0.039 7.510 -8.964 1.00 0.00 C ATOM 22 CG ARG A 127 0.697 6.191 -9.339 1.00 0.00 C ATOM 23 CD ARG A 127 2.213 6.265 -9.228 1.00 0.00 C ATOM 24 NE ARG A 127 2.670 6.132 -7.846 1.00 0.00 N ATOM 25 CZ ARG A 127 3.042 7.154 -7.076 1.00 0.00 C ATOM 26 NH1 ARG A 127 3.005 8.399 -7.539 1.00 0.00 N ATOM 27 NH2 ARG A 127 3.452 6.932 -5.834 1.00 0.00 N ATOM 0 H ARG A 127 0.024 9.819 -9.915 1.00 0.00 H new ATOM 0 HA ARG A 127 -1.024 7.285 -10.816 1.00 0.00 H new ATOM 0 HB2 ARG A 127 0.810 8.273 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -0.442 7.403 -7.992 1.00 0.00 H new ATOM 0 HG2 ARG A 127 0.323 5.400 -8.689 1.00 0.00 H new ATOM 0 HG3 ARG A 127 0.420 5.923 -10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 127 2.659 5.477 -9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 127 2.560 7.215 -9.634 1.00 0.00 H new ATOM 0 HE ARG A 127 2.707 5.195 -7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.690 8.580 -8.492 1.00 0.00 H new ATOM 0 HH12 ARG A 127 3.292 9.174 -6.941 1.00 0.00 H new ATOM 0 HH21 ARG A 127 3.482 5.980 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 127 3.737 7.713 -5.244 1.00 0.00 H new ATOM 41 N ARG A 128 -3.271 7.157 -9.813 1.00 0.00 N ATOM 42 CA ARG A 128 -4.630 7.094 -9.287 1.00 0.00 C ATOM 43 C ARG A 128 -4.911 5.730 -8.663 1.00 0.00 C ATOM 44 O ARG A 128 -5.856 5.041 -9.047 1.00 0.00 O ATOM 45 CB ARG A 128 -5.643 7.380 -10.400 1.00 0.00 C ATOM 46 CG ARG A 128 -5.255 8.549 -11.294 1.00 0.00 C ATOM 47 CD ARG A 128 -6.437 9.467 -11.566 1.00 0.00 C ATOM 48 NE ARG A 128 -6.769 9.525 -12.988 1.00 0.00 N ATOM 49 CZ ARG A 128 -7.475 8.591 -13.623 1.00 0.00 C ATOM 50 NH1 ARG A 128 -7.924 7.527 -12.968 1.00 0.00 N ATOM 51 NH2 ARG A 128 -7.733 8.721 -14.917 1.00 0.00 N ATOM 0 H ARG A 128 -3.074 6.485 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.729 7.853 -8.511 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.757 6.487 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -6.615 7.584 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.454 9.118 -10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.864 8.171 -12.238 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -7.304 9.118 -11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -6.208 10.470 -11.206 1.00 0.00 H new ATOM 0 HE ARG A 128 -6.441 10.327 -13.525 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.729 7.421 -11.972 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -8.464 6.815 -13.460 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -7.391 9.536 -15.426 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -8.274 8.006 -15.404 1.00 0.00 H new ATOM 65 N VAL A 129 -4.083 5.346 -7.697 1.00 0.00 N ATOM 66 CA VAL A 129 -4.242 4.064 -7.017 1.00 0.00 C ATOM 67 C VAL A 129 -4.951 4.241 -5.679 1.00 0.00 C ATOM 68 O VAL A 129 -4.936 5.326 -5.098 1.00 0.00 O ATOM 69 CB VAL A 129 -2.885 3.372 -6.773 1.00 0.00 C ATOM 70 CG1 VAL A 129 -3.075 1.872 -6.608 1.00 0.00 C ATOM 71 CG2 VAL A 129 -1.910 3.667 -7.905 1.00 0.00 C ATOM 0 H VAL A 129 -3.295 5.903 -7.367 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.845 3.436 -7.673 1.00 0.00 H new ATOM 0 HB VAL A 129 -2.462 3.772 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -2.108 1.399 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.729 1.679 -5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -3.525 1.461 -7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -0.962 3.167 -7.708 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.323 3.303 -8.845 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.746 4.742 -7.973 1.00 0.00 H new ATOM 81 N ILE A 130 -5.572 3.170 -5.194 1.00 0.00 N ATOM 82 CA ILE A 130 -6.285 3.215 -3.923 1.00 0.00 C ATOM 83 C ILE A 130 -5.361 2.879 -2.761 1.00 0.00 C ATOM 84 O ILE A 130 -4.900 1.745 -2.619 1.00 0.00 O ATOM 85 CB ILE A 130 -7.485 2.250 -3.916 1.00 0.00 C ATOM 86 CG1 ILE A 130 -8.355 2.496 -5.143 1.00 0.00 C ATOM 87 CG2 ILE A 130 -8.304 2.423 -2.645 1.00 0.00 C ATOM 88 CD1 ILE A 130 -7.998 1.620 -6.325 1.00 0.00 C ATOM 0 H ILE A 130 -5.596 2.263 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 130 -6.653 4.234 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 130 -7.111 1.227 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -9.399 2.326 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -8.267 3.542 -5.437 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -9.147 1.733 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -7.678 2.214 -1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -8.674 3.447 -2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -8.658 1.850 -7.161 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -6.964 1.806 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -8.114 0.572 -6.049 1.00 0.00 H new ATOM 100 N ALA A 131 -5.095 3.878 -1.931 1.00 0.00 N ATOM 101 CA ALA A 131 -4.225 3.706 -0.774 1.00 0.00 C ATOM 102 C ALA A 131 -4.306 4.911 0.158 1.00 0.00 C ATOM 103 O ALA A 131 -4.434 6.049 -0.294 1.00 0.00 O ATOM 104 CB ALA A 131 -2.789 3.477 -1.223 1.00 0.00 C ATOM 0 H ALA A 131 -5.471 4.820 -2.037 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.565 2.830 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -2.150 3.350 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -2.740 2.581 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.447 4.336 -1.801 1.00 0.00 H new ATOM 110 N MET A 132 -4.232 4.654 1.459 1.00 0.00 N ATOM 111 CA MET A 132 -4.297 5.718 2.456 1.00 0.00 C ATOM 112 C MET A 132 -3.225 6.776 2.195 1.00 0.00 C ATOM 113 O MET A 132 -2.159 6.471 1.661 1.00 0.00 O ATOM 114 CB MET A 132 -4.128 5.136 3.861 1.00 0.00 C ATOM 115 CG MET A 132 -5.444 4.800 4.545 1.00 0.00 C ATOM 116 SD MET A 132 -6.489 6.249 4.794 1.00 0.00 S ATOM 117 CE MET A 132 -7.728 5.994 3.525 1.00 0.00 C ATOM 0 H MET A 132 -4.127 3.717 1.849 1.00 0.00 H new ATOM 0 HA MET A 132 -5.275 6.194 2.382 1.00 0.00 H new ATOM 0 HB2 MET A 132 -3.519 4.234 3.800 1.00 0.00 H new ATOM 0 HB3 MET A 132 -3.580 5.849 4.477 1.00 0.00 H new ATOM 0 HG2 MET A 132 -5.983 4.067 3.945 1.00 0.00 H new ATOM 0 HG3 MET A 132 -5.239 4.335 5.509 1.00 0.00 H new ATOM 0 HE1 MET A 132 -8.582 6.644 3.714 1.00 0.00 H new ATOM 0 HE2 MET A 132 -7.303 6.228 2.549 1.00 0.00 H new ATOM 0 HE3 MET A 132 -8.054 4.954 3.538 1.00 0.00 H new ATOM 127 N PRO A 133 -3.495 8.038 2.571 1.00 0.00 N ATOM 128 CA PRO A 133 -2.548 9.141 2.373 1.00 0.00 C ATOM 129 C PRO A 133 -1.190 8.857 3.004 1.00 0.00 C ATOM 130 O PRO A 133 -0.160 9.336 2.528 1.00 0.00 O ATOM 131 CB PRO A 133 -3.223 10.326 3.070 1.00 0.00 C ATOM 132 CG PRO A 133 -4.672 9.986 3.087 1.00 0.00 C ATOM 133 CD PRO A 133 -4.742 8.491 3.214 1.00 0.00 C ATOM 0 HA PRO A 133 -2.343 9.314 1.317 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -2.837 10.462 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -3.042 11.256 2.532 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -5.178 10.473 3.921 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -5.163 10.324 2.175 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -4.794 8.178 4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -5.622 8.086 2.715 1.00 0.00 H new ATOM 141 N SER A 134 -1.194 8.076 4.079 1.00 0.00 N ATOM 142 CA SER A 134 0.039 7.729 4.775 1.00 0.00 C ATOM 143 C SER A 134 0.699 6.508 4.140 1.00 0.00 C ATOM 144 O SER A 134 1.925 6.397 4.114 1.00 0.00 O ATOM 145 CB SER A 134 -0.246 7.457 6.253 1.00 0.00 C ATOM 146 OG SER A 134 0.039 8.597 7.046 1.00 0.00 O ATOM 0 H SER A 134 -2.037 7.672 4.487 1.00 0.00 H new ATOM 0 HA SER A 134 0.723 8.573 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.291 7.175 6.379 1.00 0.00 H new ATOM 0 HB3 SER A 134 0.355 6.614 6.593 1.00 0.00 H new ATOM 0 HG SER A 134 -0.153 8.398 7.986 1.00 0.00 H new ATOM 152 N VAL A 135 -0.121 5.595 3.633 1.00 0.00 N ATOM 153 CA VAL A 135 0.386 4.383 3.003 1.00 0.00 C ATOM 154 C VAL A 135 1.140 4.700 1.725 1.00 0.00 C ATOM 155 O VAL A 135 2.237 4.194 1.500 1.00 0.00 O ATOM 156 CB VAL A 135 -0.746 3.394 2.684 1.00 0.00 C ATOM 157 CG1 VAL A 135 -0.211 2.183 1.931 1.00 0.00 C ATOM 158 CG2 VAL A 135 -1.443 2.977 3.964 1.00 0.00 C ATOM 0 H VAL A 135 -1.138 5.671 3.646 1.00 0.00 H new ATOM 0 HA VAL A 135 1.067 3.923 3.719 1.00 0.00 H new ATOM 0 HB VAL A 135 -1.473 3.888 2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -1.030 1.497 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.245 2.508 0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 135 0.536 1.676 2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -2.244 2.276 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -0.725 2.498 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -1.862 3.856 4.453 1.00 0.00 H new ATOM 168 N ARG A 136 0.552 5.540 0.891 1.00 0.00 N ATOM 169 CA ARG A 136 1.186 5.917 -0.362 1.00 0.00 C ATOM 170 C ARG A 136 2.582 6.463 -0.092 1.00 0.00 C ATOM 171 O ARG A 136 3.482 6.335 -0.917 1.00 0.00 O ATOM 172 CB ARG A 136 0.345 6.965 -1.095 1.00 0.00 C ATOM 173 CG ARG A 136 -1.074 6.509 -1.392 1.00 0.00 C ATOM 174 CD ARG A 136 -1.919 7.641 -1.952 1.00 0.00 C ATOM 175 NE ARG A 136 -1.905 7.662 -3.414 1.00 0.00 N ATOM 176 CZ ARG A 136 -2.517 8.589 -4.147 1.00 0.00 C ATOM 177 NH1 ARG A 136 -3.192 9.571 -3.561 1.00 0.00 N ATOM 178 NH2 ARG A 136 -2.455 8.535 -5.471 1.00 0.00 N ATOM 0 H ARG A 136 -0.357 5.972 1.056 1.00 0.00 H new ATOM 0 HA ARG A 136 1.264 5.032 -0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 136 0.307 7.873 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 136 0.838 7.223 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -1.050 5.685 -2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -1.533 6.128 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -2.945 7.536 -1.601 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -1.548 8.593 -1.572 1.00 0.00 H new ATOM 0 HE ARG A 136 -1.397 6.923 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.244 9.618 -2.543 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.659 10.278 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -1.938 7.783 -5.927 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -2.924 9.245 -6.033 1.00 0.00 H new ATOM 192 N LYS A 137 2.753 7.050 1.089 1.00 0.00 N ATOM 193 CA LYS A 137 4.037 7.595 1.497 1.00 0.00 C ATOM 194 C LYS A 137 4.962 6.474 1.939 1.00 0.00 C ATOM 195 O LYS A 137 6.152 6.469 1.625 1.00 0.00 O ATOM 196 CB LYS A 137 3.853 8.603 2.634 1.00 0.00 C ATOM 197 CG LYS A 137 5.126 9.349 2.999 1.00 0.00 C ATOM 198 CD LYS A 137 5.212 10.688 2.283 1.00 0.00 C ATOM 199 CE LYS A 137 5.744 11.778 3.201 1.00 0.00 C ATOM 200 NZ LYS A 137 7.228 11.879 3.141 1.00 0.00 N ATOM 0 H LYS A 137 2.012 7.159 1.781 1.00 0.00 H new ATOM 0 HA LYS A 137 4.483 8.109 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 137 3.088 9.325 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 137 3.483 8.080 3.516 1.00 0.00 H new ATOM 0 HG2 LYS A 137 5.159 9.509 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 137 5.993 8.740 2.740 1.00 0.00 H new ATOM 0 HD2 LYS A 137 5.861 10.595 1.412 1.00 0.00 H new ATOM 0 HD3 LYS A 137 4.225 10.970 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 137 5.303 12.735 2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 137 5.435 11.572 4.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 7.551 12.633 3.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 7.650 10.974 3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 7.522 12.101 2.168 1.00 0.00 H new ATOM 214 N TYR A 138 4.398 5.524 2.680 1.00 0.00 N ATOM 215 CA TYR A 138 5.165 4.395 3.179 1.00 0.00 C ATOM 216 C TYR A 138 5.658 3.522 2.034 1.00 0.00 C ATOM 217 O TYR A 138 6.838 3.181 1.969 1.00 0.00 O ATOM 218 CB TYR A 138 4.304 3.568 4.126 1.00 0.00 C ATOM 219 CG TYR A 138 5.000 2.323 4.618 1.00 0.00 C ATOM 220 CD1 TYR A 138 6.161 2.404 5.374 1.00 0.00 C ATOM 221 CD2 TYR A 138 4.502 1.067 4.311 1.00 0.00 C ATOM 222 CE1 TYR A 138 6.806 1.263 5.812 1.00 0.00 C ATOM 223 CE2 TYR A 138 5.137 -0.075 4.743 1.00 0.00 C ATOM 224 CZ TYR A 138 6.289 0.025 5.493 1.00 0.00 C ATOM 225 OH TYR A 138 6.927 -1.115 5.925 1.00 0.00 O ATOM 0 H TYR A 138 3.413 5.517 2.946 1.00 0.00 H new ATOM 0 HA TYR A 138 6.033 4.778 3.715 1.00 0.00 H new ATOM 0 HB2 TYR A 138 4.021 4.182 4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.382 3.286 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.567 3.373 5.624 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.600 0.983 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.709 1.340 6.400 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.734 -1.046 4.495 1.00 0.00 H new ATOM 0 HH TYR A 138 7.386 -0.932 6.771 1.00 0.00 H new ATOM 235 N ALA A 139 4.760 3.188 1.114 1.00 0.00 N ATOM 236 CA ALA A 139 5.131 2.387 -0.041 1.00 0.00 C ATOM 237 C ALA A 139 6.090 3.186 -0.899 1.00 0.00 C ATOM 238 O ALA A 139 7.124 2.689 -1.332 1.00 0.00 O ATOM 239 CB ALA A 139 3.901 1.987 -0.844 1.00 0.00 C ATOM 0 H ALA A 139 3.777 3.458 1.147 1.00 0.00 H new ATOM 0 HA ALA A 139 5.614 1.470 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 139 4.206 1.389 -1.703 1.00 0.00 H new ATOM 0 HB2 ALA A 139 3.230 1.403 -0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 139 3.386 2.883 -1.191 1.00 0.00 H new ATOM 245 N ARG A 140 5.745 4.448 -1.113 1.00 0.00 N ATOM 246 CA ARG A 140 6.580 5.343 -1.894 1.00 0.00 C ATOM 247 C ARG A 140 7.995 5.378 -1.325 1.00 0.00 C ATOM 248 O ARG A 140 8.970 5.542 -2.060 1.00 0.00 O ATOM 249 CB ARG A 140 5.974 6.748 -1.892 1.00 0.00 C ATOM 250 CG ARG A 140 6.803 7.771 -2.646 1.00 0.00 C ATOM 251 CD ARG A 140 6.036 8.335 -3.830 1.00 0.00 C ATOM 252 NE ARG A 140 6.670 9.533 -4.374 1.00 0.00 N ATOM 253 CZ ARG A 140 7.705 9.511 -5.211 1.00 0.00 C ATOM 254 NH1 ARG A 140 8.228 8.355 -5.600 1.00 0.00 N ATOM 255 NH2 ARG A 140 8.219 10.648 -5.658 1.00 0.00 N ATOM 0 H ARG A 140 4.890 4.874 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 140 6.629 4.978 -2.920 1.00 0.00 H new ATOM 0 HB2 ARG A 140 4.978 6.705 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 140 5.853 7.080 -0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 140 7.086 8.581 -1.973 1.00 0.00 H new ATOM 0 HG3 ARG A 140 7.727 7.309 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 140 5.965 7.577 -4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 140 5.018 8.572 -3.522 1.00 0.00 H new ATOM 0 HE ARG A 140 6.297 10.441 -4.096 1.00 0.00 H new ATOM 0 HH11 ARG A 140 7.837 7.477 -5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 140 9.021 8.344 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 140 7.822 11.539 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 140 9.012 10.632 -6.299 1.00 0.00 H new ATOM 269 N GLU A 141 8.099 5.212 -0.008 1.00 0.00 N ATOM 270 CA GLU A 141 9.387 5.212 0.668 1.00 0.00 C ATOM 271 C GLU A 141 10.025 3.833 0.615 1.00 0.00 C ATOM 272 O GLU A 141 11.241 3.701 0.478 1.00 0.00 O ATOM 273 CB GLU A 141 9.215 5.649 2.122 1.00 0.00 C ATOM 274 CG GLU A 141 9.062 7.151 2.294 1.00 0.00 C ATOM 275 CD GLU A 141 10.393 7.875 2.302 1.00 0.00 C ATOM 276 OE1 GLU A 141 11.370 7.319 2.848 1.00 0.00 O ATOM 277 OE2 GLU A 141 10.461 9.000 1.763 1.00 0.00 O ATOM 0 H GLU A 141 7.300 5.075 0.612 1.00 0.00 H new ATOM 0 HA GLU A 141 10.043 5.916 0.156 1.00 0.00 H new ATOM 0 HB2 GLU A 141 8.339 5.153 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 141 10.077 5.312 2.698 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.444 7.544 1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 141 8.536 7.354 3.227 1.00 0.00 H new ATOM 284 N LYS A 142 9.191 2.808 0.737 1.00 0.00 N ATOM 285 CA LYS A 142 9.656 1.430 0.718 1.00 0.00 C ATOM 286 C LYS A 142 9.812 0.903 -0.709 1.00 0.00 C ATOM 287 O LYS A 142 9.791 -0.307 -0.933 1.00 0.00 O ATOM 288 CB LYS A 142 8.668 0.552 1.489 1.00 0.00 C ATOM 289 CG LYS A 142 8.605 0.840 2.986 1.00 0.00 C ATOM 290 CD LYS A 142 9.970 1.179 3.565 1.00 0.00 C ATOM 291 CE LYS A 142 9.876 1.534 5.039 1.00 0.00 C ATOM 292 NZ LYS A 142 11.214 1.818 5.627 1.00 0.00 N ATOM 0 H LYS A 142 8.182 2.908 0.851 1.00 0.00 H new ATOM 0 HA LYS A 142 10.637 1.397 1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 142 7.673 0.685 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 142 8.939 -0.494 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 142 7.920 1.669 3.166 1.00 0.00 H new ATOM 0 HG3 LYS A 142 8.198 -0.028 3.504 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.642 0.331 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.402 2.015 3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 142 9.233 2.405 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 142 9.408 0.713 5.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.107 2.056 6.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 11.820 0.978 5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.650 2.618 5.126 1.00 0.00 H new ATOM 306 N GLY A 143 9.968 1.808 -1.674 1.00 0.00 N ATOM 307 CA GLY A 143 10.121 1.392 -3.059 1.00 0.00 C ATOM 308 C GLY A 143 8.956 0.548 -3.547 1.00 0.00 C ATOM 309 O GLY A 143 9.070 -0.164 -4.543 1.00 0.00 O ATOM 0 H GLY A 143 9.991 2.816 -1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 143 10.215 2.275 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 143 11.045 0.824 -3.164 1.00 0.00 H new ATOM 313 N VAL A 144 7.835 0.634 -2.840 1.00 0.00 N ATOM 314 CA VAL A 144 6.638 -0.115 -3.190 1.00 0.00 C ATOM 315 C VAL A 144 5.594 0.794 -3.827 1.00 0.00 C ATOM 316 O VAL A 144 5.432 1.948 -3.431 1.00 0.00 O ATOM 317 CB VAL A 144 6.022 -0.792 -1.947 1.00 0.00 C ATOM 318 CG1 VAL A 144 4.663 -1.397 -2.268 1.00 0.00 C ATOM 319 CG2 VAL A 144 6.966 -1.848 -1.397 1.00 0.00 C ATOM 0 H VAL A 144 7.732 1.222 -2.013 1.00 0.00 H new ATOM 0 HA VAL A 144 6.936 -0.882 -3.905 1.00 0.00 H new ATOM 0 HB VAL A 144 5.873 -0.029 -1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 144 4.253 -1.867 -1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 144 3.987 -0.613 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 144 4.774 -2.145 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 144 6.517 -2.316 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 144 7.149 -2.605 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 144 7.910 -1.381 -1.116 1.00 0.00 H new ATOM 329 N ASP A 145 4.880 0.258 -4.807 1.00 0.00 N ATOM 330 CA ASP A 145 3.839 1.003 -5.491 1.00 0.00 C ATOM 331 C ASP A 145 2.487 0.351 -5.244 1.00 0.00 C ATOM 332 O ASP A 145 2.326 -0.854 -5.432 1.00 0.00 O ATOM 333 CB ASP A 145 4.128 1.072 -6.993 1.00 0.00 C ATOM 334 CG ASP A 145 3.196 2.023 -7.718 1.00 0.00 C ATOM 335 OD1 ASP A 145 2.116 2.328 -7.171 1.00 0.00 O ATOM 336 OD2 ASP A 145 3.548 2.464 -8.832 1.00 0.00 O ATOM 0 H ASP A 145 5.006 -0.696 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 145 3.819 2.019 -5.097 1.00 0.00 H new ATOM 0 HB2 ASP A 145 5.159 1.390 -7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 145 4.034 0.076 -7.425 1.00 0.00 H new ATOM 341 N ILE A 146 1.518 1.150 -4.819 1.00 0.00 N ATOM 342 CA ILE A 146 0.179 0.644 -4.543 1.00 0.00 C ATOM 343 C ILE A 146 -0.356 -0.178 -5.717 1.00 0.00 C ATOM 344 O ILE A 146 -1.238 -1.021 -5.546 1.00 0.00 O ATOM 345 CB ILE A 146 -0.804 1.794 -4.236 1.00 0.00 C ATOM 346 CG1 ILE A 146 -0.243 2.700 -3.137 1.00 0.00 C ATOM 347 CG2 ILE A 146 -2.161 1.242 -3.822 1.00 0.00 C ATOM 348 CD1 ILE A 146 -0.066 2.000 -1.806 1.00 0.00 C ATOM 0 H ILE A 146 1.633 2.151 -4.658 1.00 0.00 H new ATOM 0 HA ILE A 146 0.258 0.002 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 146 -0.932 2.385 -5.143 1.00 0.00 H new ATOM 0 HG12 ILE A 146 0.720 3.096 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 146 -0.910 3.552 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 146 -2.840 2.068 -3.610 1.00 0.00 H new ATOM 0 HG22 ILE A 146 -2.569 0.635 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 146 -2.047 0.627 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 146 0.335 2.703 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 146 -1.030 1.628 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 146 0.625 1.165 -1.923 1.00 0.00 H new ATOM 360 N ARG A 147 0.187 0.066 -6.908 1.00 0.00 N ATOM 361 CA ARG A 147 -0.238 -0.657 -8.102 1.00 0.00 C ATOM 362 C ARG A 147 0.094 -2.138 -7.978 1.00 0.00 C ATOM 363 O ARG A 147 -0.637 -2.995 -8.474 1.00 0.00 O ATOM 364 CB ARG A 147 0.434 -0.073 -9.346 1.00 0.00 C ATOM 365 CG ARG A 147 -0.088 1.301 -9.732 1.00 0.00 C ATOM 366 CD ARG A 147 0.904 2.051 -10.605 1.00 0.00 C ATOM 367 NE ARG A 147 0.516 2.033 -12.014 1.00 0.00 N ATOM 368 CZ ARG A 147 1.037 2.840 -12.937 1.00 0.00 C ATOM 369 NH1 ARG A 147 1.965 3.728 -12.604 1.00 0.00 N ATOM 370 NH2 ARG A 147 0.628 2.758 -14.195 1.00 0.00 N ATOM 0 H ARG A 147 0.920 0.757 -7.071 1.00 0.00 H new ATOM 0 HA ARG A 147 -1.318 -0.549 -8.201 1.00 0.00 H new ATOM 0 HB2 ARG A 147 1.508 -0.008 -9.172 1.00 0.00 H new ATOM 0 HB3 ARG A 147 0.287 -0.756 -10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -1.034 1.195 -10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -0.291 1.880 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 147 0.980 3.083 -10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 147 1.893 1.605 -10.495 1.00 0.00 H new ATOM 0 HE ARG A 147 -0.195 1.363 -12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 147 2.283 3.795 -11.637 1.00 0.00 H new ATOM 0 HH12 ARG A 147 2.360 4.343 -13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -0.085 2.077 -14.456 1.00 0.00 H new ATOM 0 HH22 ARG A 147 1.027 3.376 -14.902 1.00 0.00 H new ATOM 384 N LEU A 148 1.203 -2.429 -7.309 1.00 0.00 N ATOM 385 CA LEU A 148 1.642 -3.801 -7.110 1.00 0.00 C ATOM 386 C LEU A 148 1.088 -4.371 -5.807 1.00 0.00 C ATOM 387 O LEU A 148 1.385 -5.509 -5.445 1.00 0.00 O ATOM 388 CB LEU A 148 3.169 -3.874 -7.097 1.00 0.00 C ATOM 389 CG LEU A 148 3.885 -2.665 -7.694 1.00 0.00 C ATOM 390 CD1 LEU A 148 5.383 -2.791 -7.506 1.00 0.00 C ATOM 391 CD2 LEU A 148 3.539 -2.514 -9.168 1.00 0.00 C ATOM 0 H LEU A 148 1.816 -1.728 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 148 1.260 -4.398 -7.939 1.00 0.00 H new ATOM 0 HB2 LEU A 148 3.502 -4.000 -6.067 1.00 0.00 H new ATOM 0 HB3 LEU A 148 3.478 -4.765 -7.643 1.00 0.00 H new ATOM 0 HG LEU A 148 3.548 -1.770 -7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 148 5.878 -1.921 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 148 5.613 -2.849 -6.442 1.00 0.00 H new ATOM 0 HD13 LEU A 148 5.737 -3.694 -8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 148 4.058 -1.647 -9.577 1.00 0.00 H new ATOM 0 HD22 LEU A 148 3.847 -3.409 -9.708 1.00 0.00 H new ATOM 0 HD23 LEU A 148 2.463 -2.377 -9.277 1.00 0.00 H new ATOM 403 N VAL A 149 0.292 -3.575 -5.099 1.00 0.00 N ATOM 404 CA VAL A 149 -0.284 -4.008 -3.832 1.00 0.00 C ATOM 405 C VAL A 149 -1.807 -4.015 -3.885 1.00 0.00 C ATOM 406 O VAL A 149 -2.437 -2.981 -4.112 1.00 0.00 O ATOM 407 CB VAL A 149 0.170 -3.099 -2.672 1.00 0.00 C ATOM 408 CG1 VAL A 149 -0.103 -3.765 -1.334 1.00 0.00 C ATOM 409 CG2 VAL A 149 1.645 -2.749 -2.806 1.00 0.00 C ATOM 0 H VAL A 149 0.032 -2.630 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 149 0.073 -5.023 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 149 -0.404 -2.174 -2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 149 0.224 -3.109 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 149 -1.171 -3.958 -1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 149 0.442 -4.707 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 149 1.943 -2.107 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 149 2.239 -3.663 -2.789 1.00 0.00 H new ATOM 0 HG23 VAL A 149 1.811 -2.226 -3.748 1.00 0.00 H new ATOM 419 N GLN A 150 -2.396 -5.187 -3.665 1.00 0.00 N ATOM 420 CA GLN A 150 -3.847 -5.329 -3.676 1.00 0.00 C ATOM 421 C GLN A 150 -4.430 -4.924 -2.327 1.00 0.00 C ATOM 422 O GLN A 150 -4.461 -5.721 -1.390 1.00 0.00 O ATOM 423 CB GLN A 150 -4.237 -6.773 -4.008 1.00 0.00 C ATOM 424 CG GLN A 150 -5.255 -6.886 -5.130 1.00 0.00 C ATOM 425 CD GLN A 150 -5.366 -8.296 -5.675 1.00 0.00 C ATOM 426 OE1 GLN A 150 -4.661 -8.670 -6.613 1.00 0.00 O ATOM 427 NE2 GLN A 150 -6.255 -9.089 -5.089 1.00 0.00 N ATOM 0 H GLN A 150 -1.890 -6.052 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 150 -4.254 -4.671 -4.444 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -3.341 -7.328 -4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -4.641 -7.246 -3.113 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -6.230 -6.563 -4.765 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -4.977 -6.209 -5.938 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -6.819 -8.739 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -6.374 -10.049 -5.413 1.00 0.00 H new ATOM 436 N GLY A 151 -4.880 -3.678 -2.231 1.00 0.00 N ATOM 437 CA GLY A 151 -5.441 -3.188 -0.988 1.00 0.00 C ATOM 438 C GLY A 151 -6.767 -3.831 -0.640 1.00 0.00 C ATOM 439 O GLY A 151 -7.646 -3.960 -1.490 1.00 0.00 O ATOM 0 H GLY A 151 -4.866 -2.999 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -4.733 -3.370 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -5.575 -2.108 -1.057 1.00 0.00 H new ATOM 443 N THR A 152 -6.909 -4.227 0.621 1.00 0.00 N ATOM 444 CA THR A 152 -8.137 -4.851 1.097 1.00 0.00 C ATOM 445 C THR A 152 -8.781 -4.007 2.193 1.00 0.00 C ATOM 446 O THR A 152 -9.503 -4.524 3.046 1.00 0.00 O ATOM 447 CB THR A 152 -7.846 -6.260 1.622 1.00 0.00 C ATOM 448 OG1 THR A 152 -6.483 -6.388 1.982 1.00 0.00 O ATOM 449 CG2 THR A 152 -8.162 -7.349 0.620 1.00 0.00 C ATOM 0 H THR A 152 -6.186 -4.126 1.333 1.00 0.00 H new ATOM 0 HA THR A 152 -8.832 -4.921 0.261 1.00 0.00 H new ATOM 0 HB THR A 152 -8.496 -6.387 2.487 1.00 0.00 H new ATOM 0 HG1 THR A 152 -6.317 -7.294 2.317 1.00 0.00 H new ATOM 0 HG21 THR A 152 -7.933 -8.322 1.055 1.00 0.00 H new ATOM 0 HG22 THR A 152 -9.220 -7.308 0.359 1.00 0.00 H new ATOM 0 HG23 THR A 152 -7.561 -7.203 -0.278 1.00 0.00 H new ATOM 457 N GLY A 153 -8.508 -2.704 2.171 1.00 0.00 N ATOM 458 CA GLY A 153 -9.062 -1.812 3.172 1.00 0.00 C ATOM 459 C GLY A 153 -10.364 -1.171 2.736 1.00 0.00 C ATOM 460 O GLY A 153 -10.384 -0.356 1.814 1.00 0.00 O ATOM 0 H GLY A 153 -7.913 -2.252 1.477 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.228 -2.368 4.095 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.336 -1.031 3.397 1.00 0.00 H new ATOM 464 N LYS A 154 -11.451 -1.538 3.408 1.00 0.00 N ATOM 465 CA LYS A 154 -12.772 -1.000 3.105 1.00 0.00 C ATOM 466 C LYS A 154 -13.121 -1.161 1.622 1.00 0.00 C ATOM 467 O LYS A 154 -13.766 -2.134 1.235 1.00 0.00 O ATOM 468 CB LYS A 154 -12.851 0.472 3.518 1.00 0.00 C ATOM 469 CG LYS A 154 -14.196 1.112 3.217 1.00 0.00 C ATOM 470 CD LYS A 154 -14.876 1.614 4.482 1.00 0.00 C ATOM 471 CE LYS A 154 -14.287 2.937 4.942 1.00 0.00 C ATOM 472 NZ LYS A 154 -14.603 3.219 6.370 1.00 0.00 N ATOM 0 H LYS A 154 -11.441 -2.212 4.173 1.00 0.00 H new ATOM 0 HA LYS A 154 -13.504 -1.569 3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -12.649 0.553 4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -12.069 1.029 3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -14.057 1.942 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -14.841 0.387 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -15.944 1.734 4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -14.769 0.872 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -13.206 2.920 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -14.674 3.743 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -14.184 4.130 6.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -15.635 3.261 6.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -14.212 2.463 6.968 1.00 0.00 H new ATOM 486 N ASN A 155 -12.698 -0.204 0.799 1.00 0.00 N ATOM 487 CA ASN A 155 -12.977 -0.252 -0.633 1.00 0.00 C ATOM 488 C ASN A 155 -11.789 -0.815 -1.405 1.00 0.00 C ATOM 489 O ASN A 155 -11.527 -0.413 -2.539 1.00 0.00 O ATOM 490 CB ASN A 155 -13.321 1.145 -1.153 1.00 0.00 C ATOM 491 CG ASN A 155 -14.571 1.710 -0.509 1.00 0.00 C ATOM 492 OD1 ASN A 155 -15.683 1.263 -0.790 1.00 0.00 O ATOM 493 ND2 ASN A 155 -14.395 2.699 0.360 1.00 0.00 N ATOM 0 H ASN A 155 -12.163 0.611 1.098 1.00 0.00 H new ATOM 0 HA ASN A 155 -13.830 -0.912 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 155 -12.483 1.816 -0.964 1.00 0.00 H new ATOM 0 HB3 ASN A 155 -13.459 1.104 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 155 -15.200 3.119 0.824 1.00 0.00 H new ATOM 0 HD22 ASN A 155 -13.455 3.038 0.563 1.00 0.00 H new ATOM 500 N GLY A 156 -11.074 -1.748 -0.786 1.00 0.00 N ATOM 501 CA GLY A 156 -9.924 -2.349 -1.434 1.00 0.00 C ATOM 502 C GLY A 156 -8.704 -1.449 -1.408 1.00 0.00 C ATOM 503 O GLY A 156 -7.830 -1.549 -2.270 1.00 0.00 O ATOM 0 H GLY A 156 -11.270 -2.098 0.152 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -9.686 -3.292 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -10.176 -2.584 -2.468 1.00 0.00 H new ATOM 507 N ARG A 157 -8.645 -0.566 -0.417 1.00 0.00 N ATOM 508 CA ARG A 157 -7.525 0.357 -0.280 1.00 0.00 C ATOM 509 C ARG A 157 -6.338 -0.324 0.394 1.00 0.00 C ATOM 510 O ARG A 157 -6.505 -1.076 1.354 1.00 0.00 O ATOM 511 CB ARG A 157 -7.954 1.586 0.525 1.00 0.00 C ATOM 512 CG ARG A 157 -6.877 2.650 0.639 1.00 0.00 C ATOM 513 CD ARG A 157 -7.408 3.919 1.292 1.00 0.00 C ATOM 514 NE ARG A 157 -7.470 5.036 0.350 1.00 0.00 N ATOM 515 CZ ARG A 157 -8.527 5.311 -0.415 1.00 0.00 C ATOM 516 NH1 ARG A 157 -9.619 4.558 -0.354 1.00 0.00 N ATOM 517 NH2 ARG A 157 -8.491 6.347 -1.241 1.00 0.00 N ATOM 0 H ARG A 157 -9.360 -0.470 0.304 1.00 0.00 H new ATOM 0 HA ARG A 157 -7.217 0.672 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -8.837 2.024 0.059 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -8.246 1.269 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -6.042 2.262 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.491 2.885 -0.353 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -8.403 3.730 1.696 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -6.769 4.189 2.133 1.00 0.00 H new ATOM 0 HE ARG A 157 -6.654 5.643 0.273 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.654 3.761 0.282 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.423 4.776 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -7.656 6.931 -1.290 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -9.298 6.560 -1.827 1.00 0.00 H new ATOM 531 N VAL A 158 -5.140 -0.063 -0.122 1.00 0.00 N ATOM 532 CA VAL A 158 -3.928 -0.659 0.427 1.00 0.00 C ATOM 533 C VAL A 158 -3.585 -0.059 1.785 1.00 0.00 C ATOM 534 O VAL A 158 -3.670 1.153 1.984 1.00 0.00 O ATOM 535 CB VAL A 158 -2.726 -0.494 -0.533 1.00 0.00 C ATOM 536 CG1 VAL A 158 -1.402 -0.659 0.203 1.00 0.00 C ATOM 537 CG2 VAL A 158 -2.817 -1.495 -1.673 1.00 0.00 C ATOM 0 H VAL A 158 -4.984 0.556 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 158 -4.128 -1.723 0.551 1.00 0.00 H new ATOM 0 HB VAL A 158 -2.763 0.516 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -0.578 -0.537 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -1.325 0.095 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -1.355 -1.652 0.649 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -1.964 -1.366 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -2.812 -2.508 -1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -3.740 -1.330 -2.229 1.00 0.00 H new ATOM 547 N LEU A 159 -3.193 -0.924 2.712 1.00 0.00 N ATOM 548 CA LEU A 159 -2.826 -0.498 4.054 1.00 0.00 C ATOM 549 C LEU A 159 -1.321 -0.616 4.257 1.00 0.00 C ATOM 550 O LEU A 159 -0.638 -1.297 3.493 1.00 0.00 O ATOM 551 CB LEU A 159 -3.558 -1.351 5.091 1.00 0.00 C ATOM 552 CG LEU A 159 -5.083 -1.192 5.115 1.00 0.00 C ATOM 553 CD1 LEU A 159 -5.654 -1.720 6.421 1.00 0.00 C ATOM 554 CD2 LEU A 159 -5.482 0.263 4.909 1.00 0.00 C ATOM 0 H LEU A 159 -3.121 -1.930 2.556 1.00 0.00 H new ATOM 0 HA LEU A 159 -3.115 0.546 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -3.322 -2.399 4.907 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -3.168 -1.105 6.079 1.00 0.00 H new ATOM 0 HG LEU A 159 -5.497 -1.777 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -6.737 -1.599 6.420 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -5.407 -2.777 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -5.228 -1.164 7.256 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -6.568 0.349 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -5.054 0.874 5.704 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -5.109 0.609 3.945 1.00 0.00 H new ATOM 566 N LYS A 160 -0.800 0.033 5.292 1.00 0.00 N ATOM 567 CA LYS A 160 0.628 -0.032 5.571 1.00 0.00 C ATOM 568 C LYS A 160 1.050 -1.483 5.751 1.00 0.00 C ATOM 569 O LYS A 160 2.146 -1.878 5.355 1.00 0.00 O ATOM 570 CB LYS A 160 0.981 0.781 6.815 1.00 0.00 C ATOM 571 CG LYS A 160 2.478 0.868 7.077 1.00 0.00 C ATOM 572 CD LYS A 160 2.916 2.302 7.338 1.00 0.00 C ATOM 573 CE LYS A 160 3.950 2.375 8.450 1.00 0.00 C ATOM 574 NZ LYS A 160 3.350 2.824 9.737 1.00 0.00 N ATOM 0 H LYS A 160 -1.338 0.603 5.944 1.00 0.00 H new ATOM 0 HA LYS A 160 1.166 0.397 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 160 0.580 1.789 6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 160 0.493 0.335 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 160 2.735 0.246 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 160 3.022 0.470 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 160 3.331 2.729 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 160 2.049 2.905 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 160 4.408 1.395 8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 160 4.746 3.062 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 4.087 2.861 10.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 2.935 3.770 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 2.608 2.155 10.026 1.00 0.00 H new ATOM 588 N GLU A 161 0.155 -2.279 6.331 1.00 0.00 N ATOM 589 CA GLU A 161 0.421 -3.693 6.535 1.00 0.00 C ATOM 590 C GLU A 161 0.583 -4.372 5.184 1.00 0.00 C ATOM 591 O GLU A 161 1.411 -5.269 5.016 1.00 0.00 O ATOM 592 CB GLU A 161 -0.716 -4.345 7.324 1.00 0.00 C ATOM 593 CG GLU A 161 -1.171 -3.529 8.523 1.00 0.00 C ATOM 594 CD GLU A 161 -2.036 -4.327 9.477 1.00 0.00 C ATOM 595 OE1 GLU A 161 -1.488 -5.189 10.197 1.00 0.00 O ATOM 596 OE2 GLU A 161 -3.262 -4.090 9.506 1.00 0.00 O ATOM 0 H GLU A 161 -0.756 -1.967 6.666 1.00 0.00 H new ATOM 0 HA GLU A 161 1.340 -3.805 7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 161 -1.565 -4.502 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 161 -0.393 -5.328 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 161 -0.297 -3.156 9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 161 -1.728 -2.659 8.175 1.00 0.00 H new ATOM 603 N ASP A 162 -0.205 -3.915 4.213 1.00 0.00 N ATOM 604 CA ASP A 162 -0.142 -4.453 2.862 1.00 0.00 C ATOM 605 C ASP A 162 1.222 -4.156 2.251 1.00 0.00 C ATOM 606 O ASP A 162 1.877 -5.037 1.695 1.00 0.00 O ATOM 607 CB ASP A 162 -1.248 -3.846 1.997 1.00 0.00 C ATOM 608 CG ASP A 162 -2.558 -4.598 2.114 1.00 0.00 C ATOM 609 OD1 ASP A 162 -2.546 -5.840 1.978 1.00 0.00 O ATOM 610 OD2 ASP A 162 -3.598 -3.943 2.341 1.00 0.00 O ATOM 0 H ASP A 162 -0.894 -3.173 4.340 1.00 0.00 H new ATOM 0 HA ASP A 162 -0.287 -5.533 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 162 -1.403 -2.807 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 162 -0.928 -3.841 0.955 1.00 0.00 H new ATOM 615 N ILE A 163 1.644 -2.902 2.376 1.00 0.00 N ATOM 616 CA ILE A 163 2.937 -2.461 1.860 1.00 0.00 C ATOM 617 C ILE A 163 4.054 -3.359 2.378 1.00 0.00 C ATOM 618 O ILE A 163 4.829 -3.917 1.602 1.00 0.00 O ATOM 619 CB ILE A 163 3.247 -1.007 2.279 1.00 0.00 C ATOM 620 CG1 ILE A 163 2.092 -0.081 1.905 1.00 0.00 C ATOM 621 CG2 ILE A 163 4.549 -0.529 1.641 1.00 0.00 C ATOM 622 CD1 ILE A 163 1.833 -0.023 0.423 1.00 0.00 C ATOM 0 H ILE A 163 1.105 -2.167 2.834 1.00 0.00 H new ATOM 0 HA ILE A 163 2.883 -2.517 0.773 1.00 0.00 H new ATOM 0 HB ILE A 163 3.368 -0.982 3.362 1.00 0.00 H new ATOM 0 HG12 ILE A 163 1.187 -0.416 2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 163 2.308 0.923 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 163 4.750 0.497 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 163 5.369 -1.171 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 163 4.459 -0.572 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 163 1.000 0.652 0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 163 2.724 0.341 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE A 163 1.586 -1.020 0.057 1.00 0.00 H new ATOM 634 N ASP A 164 4.125 -3.492 3.699 1.00 0.00 N ATOM 635 CA ASP A 164 5.141 -4.322 4.330 1.00 0.00 C ATOM 636 C ASP A 164 5.073 -5.750 3.800 1.00 0.00 C ATOM 637 O ASP A 164 6.100 -6.392 3.579 1.00 0.00 O ATOM 638 CB ASP A 164 4.964 -4.318 5.849 1.00 0.00 C ATOM 639 CG ASP A 164 6.083 -5.050 6.564 1.00 0.00 C ATOM 640 OD1 ASP A 164 7.209 -5.087 6.024 1.00 0.00 O ATOM 641 OD2 ASP A 164 5.834 -5.587 7.663 1.00 0.00 O ATOM 0 H ASP A 164 3.489 -3.034 4.352 1.00 0.00 H new ATOM 0 HA ASP A 164 6.120 -3.907 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 164 4.922 -3.288 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 164 4.011 -4.782 6.102 1.00 0.00 H new ATOM 646 N ALA A 165 3.852 -6.239 3.591 1.00 0.00 N ATOM 647 CA ALA A 165 3.648 -7.587 3.079 1.00 0.00 C ATOM 648 C ALA A 165 4.280 -7.742 1.702 1.00 0.00 C ATOM 649 O ALA A 165 4.869 -8.778 1.389 1.00 0.00 O ATOM 650 CB ALA A 165 2.163 -7.912 3.021 1.00 0.00 C ATOM 0 H ALA A 165 2.992 -5.720 3.769 1.00 0.00 H new ATOM 0 HA ALA A 165 4.132 -8.289 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 165 2.026 -8.923 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 165 1.736 -7.844 4.022 1.00 0.00 H new ATOM 0 HB3 ALA A 165 1.661 -7.203 2.363 1.00 0.00 H new ATOM 656 N TRP A 166 4.160 -6.700 0.885 1.00 0.00 N ATOM 657 CA TRP A 166 4.727 -6.712 -0.460 1.00 0.00 C ATOM 658 C TRP A 166 6.232 -6.941 -0.406 1.00 0.00 C ATOM 659 O TRP A 166 6.754 -7.882 -1.003 1.00 0.00 O ATOM 660 CB TRP A 166 4.432 -5.387 -1.164 1.00 0.00 C ATOM 661 CG TRP A 166 4.693 -5.422 -2.639 1.00 0.00 C ATOM 662 CD1 TRP A 166 5.603 -4.674 -3.329 1.00 0.00 C ATOM 663 CD2 TRP A 166 4.034 -6.246 -3.608 1.00 0.00 C ATOM 664 NE1 TRP A 166 5.552 -4.982 -4.666 1.00 0.00 N ATOM 665 CE2 TRP A 166 4.597 -5.946 -4.863 1.00 0.00 C ATOM 666 CE3 TRP A 166 3.025 -7.211 -3.535 1.00 0.00 C ATOM 667 CZ2 TRP A 166 4.183 -6.574 -6.034 1.00 0.00 C ATOM 668 CZ3 TRP A 166 2.615 -7.834 -4.700 1.00 0.00 C ATOM 669 CH2 TRP A 166 3.193 -7.514 -5.935 1.00 0.00 C ATOM 0 H TRP A 166 3.675 -5.837 1.130 1.00 0.00 H new ATOM 0 HA TRP A 166 4.269 -7.528 -1.019 1.00 0.00 H new ATOM 0 HB2 TRP A 166 3.389 -5.119 -0.994 1.00 0.00 H new ATOM 0 HB3 TRP A 166 5.040 -4.602 -0.714 1.00 0.00 H new ATOM 0 HD1 TRP A 166 6.267 -3.946 -2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 166 6.130 -4.562 -5.394 1.00 0.00 H new ATOM 0 HE3 TRP A 166 2.574 -7.465 -2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 4.627 -6.328 -6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 1.836 -8.580 -4.657 1.00 0.00 H new ATOM 0 HH2 TRP A 166 2.851 -8.019 -6.826 1.00 0.00 H new ATOM 680 N LEU A 167 6.918 -6.066 0.318 1.00 0.00 N ATOM 681 CA LEU A 167 8.367 -6.152 0.466 1.00 0.00 C ATOM 682 C LEU A 167 8.777 -7.462 1.130 1.00 0.00 C ATOM 683 O LEU A 167 9.887 -7.954 0.925 1.00 0.00 O ATOM 684 CB LEU A 167 8.874 -4.968 1.286 1.00 0.00 C ATOM 685 CG LEU A 167 8.509 -3.598 0.716 1.00 0.00 C ATOM 686 CD1 LEU A 167 7.955 -2.690 1.802 1.00 0.00 C ATOM 687 CD2 LEU A 167 9.718 -2.961 0.049 1.00 0.00 C ATOM 0 H LEU A 167 6.492 -5.284 0.815 1.00 0.00 H new ATOM 0 HA LEU A 167 8.814 -6.124 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 167 8.474 -5.045 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 167 9.959 -5.036 1.367 1.00 0.00 H new ATOM 0 HG LEU A 167 7.733 -3.737 -0.036 1.00 0.00 H new ATOM 0 HD11 LEU A 167 7.702 -1.721 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 167 7.060 -3.141 2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 167 8.704 -2.557 2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 167 9.441 -1.986 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 167 10.516 -2.839 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 167 10.065 -3.601 -0.762 1.00 0.00 H new ATOM 699 N ALA A 168 7.875 -8.022 1.928 1.00 0.00 N ATOM 700 CA ALA A 168 8.144 -9.274 2.625 1.00 0.00 C ATOM 701 C ALA A 168 8.223 -10.443 1.647 1.00 0.00 C ATOM 702 O ALA A 168 8.865 -11.455 1.927 1.00 0.00 O ATOM 703 CB ALA A 168 7.073 -9.534 3.673 1.00 0.00 C ATOM 0 H ALA A 168 6.951 -7.629 2.108 1.00 0.00 H new ATOM 0 HA ALA A 168 9.110 -9.184 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 168 7.286 -10.472 4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 168 7.066 -8.718 4.396 1.00 0.00 H new ATOM 0 HB3 ALA A 168 6.098 -9.598 3.189 1.00 0.00 H new ATOM 709 N GLY A 169 7.567 -10.298 0.499 1.00 0.00 N ATOM 710 CA GLY A 169 7.580 -11.351 -0.499 1.00 0.00 C ATOM 711 C GLY A 169 6.414 -12.308 -0.350 1.00 0.00 C ATOM 712 O GLY A 169 6.549 -13.505 -0.601 1.00 0.00 O ATOM 0 H GLY A 169 7.028 -9.471 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 169 7.555 -10.905 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 169 8.514 -11.907 -0.423 1.00 0.00 H new ATOM 716 N GLY A 170 5.265 -11.779 0.059 1.00 0.00 N ATOM 717 CA GLY A 170 4.087 -12.608 0.232 1.00 0.00 C ATOM 718 C GLY A 170 2.927 -12.154 -0.633 1.00 0.00 C ATOM 719 O GLY A 170 2.526 -12.916 -1.538 1.00 0.00 O ATOM 720 OXT GLY A 170 2.417 -11.036 -0.404 1.00 0.00 O ATOM 0 H GLY A 170 5.129 -10.791 0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 170 4.335 -13.641 -0.011 1.00 0.00 H new ATOM 0 HA3 GLY A 170 3.784 -12.590 1.279 1.00 0.00 H new TER 724 GLY A 170