USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 663 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 112 THR OG1 : rot 180:sc= -0.402 USER MOD Set 1.2: A 121 GLN : amide:sc= 0 X(o=-0.4,f=-0.75) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -0.266 F(o=-1,f=-0.27) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0689 USER MOD Single : A 25 ASN : amide:sc= -0.354 X(o=-0.35,f=-0.36) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 84:sc= 1.09 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 52:sc= -3.48! USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 142:sc= -3.17! USER MOD Single : A 97 THR OG1 : rot 45:sc= 1.08 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.788 USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00262 USER MOD Single : A 114 LYS NZ :NH3+ -151:sc=-0.00149 (180deg=-0.0803) USER MOD Single : A 115 ASN : amide:sc= -5.84! C(o=-5.8!,f=-8.5!) USER MOD Single : A 123 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 3 23.764 7.663 -4.740 0.50 0.00 N ATOM 45 CA GLU A 3 23.526 8.101 -3.334 0.50 0.00 C ATOM 46 C GLU A 3 22.851 6.978 -2.533 0.50 0.00 C ATOM 47 O GLU A 3 22.086 6.206 -3.077 0.50 0.00 O ATOM 48 CB GLU A 3 22.597 9.310 -3.449 0.50 0.00 C ATOM 49 CG GLU A 3 23.355 10.478 -4.083 0.50 0.00 C ATOM 50 CD GLU A 3 22.395 11.648 -4.308 0.50 0.00 C ATOM 51 OE1 GLU A 3 21.785 12.081 -3.344 0.50 0.00 O ATOM 52 OE2 GLU A 3 22.286 12.090 -5.439 0.50 0.00 O ATOM 0 HA GLU A 3 24.453 8.346 -2.816 0.50 0.00 H new ATOM 0 HB2 GLU A 3 21.726 9.057 -4.054 0.50 0.00 H new ATOM 0 HB3 GLU A 3 22.229 9.594 -2.463 0.50 0.00 H new ATOM 0 HG2 GLU A 3 24.176 10.787 -3.436 0.50 0.00 H new ATOM 0 HG3 GLU A 3 23.796 10.168 -5.031 0.50 0.00 H new ATOM 59 N PRO A 4 23.153 6.927 -1.259 0.50 0.00 N ATOM 60 CA PRO A 4 22.561 5.891 -0.371 0.50 0.00 C ATOM 61 C PRO A 4 21.044 6.080 -0.245 0.50 0.00 C ATOM 62 O PRO A 4 20.576 7.163 0.041 0.50 0.00 O ATOM 63 CB PRO A 4 23.262 6.125 0.968 0.50 0.00 C ATOM 64 CG PRO A 4 23.702 7.550 0.914 0.50 0.00 C ATOM 65 CD PRO A 4 24.059 7.813 -0.523 0.50 0.00 C ATOM 0 HA PRO A 4 22.699 4.877 -0.747 0.50 0.00 H new ATOM 0 HB2 PRO A 4 22.587 5.949 1.806 0.50 0.00 H new ATOM 0 HB3 PRO A 4 24.110 5.452 1.095 0.50 0.00 H new ATOM 0 HG2 PRO A 4 22.908 8.218 1.248 0.50 0.00 H new ATOM 0 HG3 PRO A 4 24.558 7.720 1.567 0.50 0.00 H new ATOM 0 HD2 PRO A 4 23.906 8.858 -0.791 0.50 0.00 H new ATOM 0 HD3 PRO A 4 25.104 7.581 -0.728 0.50 0.00 H new ATOM 73 N PRO A 5 20.325 5.007 -0.468 0.50 0.00 N ATOM 74 CA PRO A 5 18.841 5.047 -0.382 0.50 0.00 C ATOM 75 C PRO A 5 18.393 5.220 1.072 0.50 0.00 C ATOM 76 O PRO A 5 19.038 4.749 1.989 0.50 0.00 O ATOM 77 CB PRO A 5 18.419 3.681 -0.916 0.50 0.00 C ATOM 78 CG PRO A 5 19.597 2.800 -0.673 0.50 0.00 C ATOM 79 CD PRO A 5 20.813 3.666 -0.818 0.50 0.00 C ATOM 0 HA PRO A 5 18.402 5.876 -0.937 0.50 0.00 H new ATOM 0 HB2 PRO A 5 17.534 3.310 -0.400 0.50 0.00 H new ATOM 0 HB3 PRO A 5 18.172 3.729 -1.977 0.50 0.00 H new ATOM 0 HG2 PRO A 5 19.552 2.358 0.322 0.50 0.00 H new ATOM 0 HG3 PRO A 5 19.620 1.977 -1.387 0.50 0.00 H new ATOM 0 HD2 PRO A 5 21.615 3.345 -0.154 0.50 0.00 H new ATOM 0 HD3 PRO A 5 21.208 3.635 -1.833 0.50 0.00 H new ATOM 87 N LYS A 6 17.292 5.888 1.288 0.50 0.00 N ATOM 88 CA LYS A 6 16.800 6.089 2.682 0.50 0.00 C ATOM 89 C LYS A 6 15.391 6.687 2.666 0.50 0.00 C ATOM 90 O LYS A 6 15.004 7.364 1.734 0.50 0.00 O ATOM 91 CB LYS A 6 17.790 7.069 3.316 0.50 0.00 C ATOM 92 CG LYS A 6 18.747 6.308 4.236 0.50 0.00 C ATOM 93 CD LYS A 6 19.095 7.180 5.444 0.50 0.00 C ATOM 94 CE LYS A 6 20.359 6.640 6.117 0.50 0.00 C ATOM 95 NZ LYS A 6 20.700 7.649 7.158 0.50 0.00 N ATOM 0 H LYS A 6 16.712 6.303 0.559 0.50 0.00 H new ATOM 0 HA LYS A 6 16.741 5.152 3.236 0.50 0.00 H new ATOM 0 HB2 LYS A 6 18.352 7.588 2.539 0.50 0.00 H new ATOM 0 HB3 LYS A 6 17.252 7.829 3.882 0.50 0.00 H new ATOM 0 HG2 LYS A 6 18.287 5.377 4.567 0.50 0.00 H new ATOM 0 HG3 LYS A 6 19.654 6.041 3.694 0.50 0.00 H new ATOM 0 HD2 LYS A 6 19.251 8.212 5.128 0.50 0.00 H new ATOM 0 HD3 LYS A 6 18.267 7.185 6.153 0.50 0.00 H new ATOM 0 HE2 LYS A 6 20.183 5.660 6.560 0.50 0.00 H new ATOM 0 HE3 LYS A 6 21.170 6.524 5.398 0.50 0.00 H new ATOM 0 HZ1 LYS A 6 21.558 7.349 7.664 0.50 0.00 H new ATOM 0 HZ2 LYS A 6 20.869 8.570 6.706 0.50 0.00 H new ATOM 0 HZ3 LYS A 6 19.912 7.733 7.831 0.50 0.00 H new ATOM 109 N ILE A 7 14.624 6.446 3.696 0.50 0.00 N ATOM 110 CA ILE A 7 13.239 7.003 3.752 0.50 0.00 C ATOM 111 C ILE A 7 13.285 8.463 4.216 0.50 0.00 C ATOM 112 O ILE A 7 12.632 8.843 5.168 0.50 0.00 O ATOM 113 CB ILE A 7 12.494 6.137 4.777 0.50 0.00 C ATOM 114 CG1 ILE A 7 12.738 4.647 4.495 0.50 0.00 C ATOM 115 CG2 ILE A 7 10.994 6.424 4.696 0.50 0.00 C ATOM 116 CD1 ILE A 7 12.411 4.328 3.033 0.50 0.00 C ATOM 0 H ILE A 7 14.897 5.886 4.504 0.50 0.00 H new ATOM 0 HA ILE A 7 12.747 6.987 2.779 0.50 0.00 H new ATOM 0 HB ILE A 7 12.865 6.377 5.773 0.50 0.00 H new ATOM 0 HG12 ILE A 7 13.777 4.394 4.707 0.50 0.00 H new ATOM 0 HG13 ILE A 7 12.121 4.038 5.155 0.50 0.00 H new ATOM 0 HG21 ILE A 7 10.466 5.808 5.424 0.50 0.00 H new ATOM 0 HG22 ILE A 7 10.813 7.477 4.912 0.50 0.00 H new ATOM 0 HG23 ILE A 7 10.633 6.191 3.694 0.50 0.00 H new ATOM 0 HD11 ILE A 7 12.587 3.269 2.843 0.50 0.00 H new ATOM 0 HD12 ILE A 7 11.365 4.563 2.834 0.50 0.00 H new ATOM 0 HD13 ILE A 7 13.047 4.925 2.379 0.50 0.00 H new ATOM 128 N HIS A 8 14.059 9.281 3.553 0.50 0.00 N ATOM 129 CA HIS A 8 14.160 10.715 3.953 0.50 0.00 C ATOM 130 C HIS A 8 13.840 11.618 2.755 0.50 0.00 C ATOM 131 O HIS A 8 13.835 11.178 1.622 0.50 0.00 O ATOM 132 CB HIS A 8 15.618 10.883 4.402 0.50 0.00 C ATOM 133 CG HIS A 8 15.953 12.342 4.561 0.50 0.00 C ATOM 134 ND1 HIS A 8 16.193 13.332 3.641 0.50 0.00 N flip ATOM 135 CD2 HIS A 8 16.090 12.940 5.804 0.50 0.00 C flip ATOM 136 CE1 HIS A 8 16.475 14.526 4.298 0.50 0.00 C flip ATOM 137 NE2 HIS A 8 16.399 14.234 5.600 0.50 0.00 N flip ATOM 0 H HIS A 8 14.628 9.016 2.749 0.50 0.00 H new ATOM 0 HA HIS A 8 13.458 10.989 4.741 0.50 0.00 H new ATOM 0 HB2 HIS A 8 15.777 10.362 5.346 0.50 0.00 H new ATOM 0 HB3 HIS A 8 16.285 10.428 3.670 0.50 0.00 H new ATOM 0 HD2 HIS A 8 15.971 12.456 6.762 0.50 0.00 H new ATOM 0 HE1 HIS A 8 16.706 15.482 3.852 0.50 0.00 H new ATOM 0 HE2 HIS A 8 16.556 14.910 6.348 0.50 0.00 H new ATOM 232 N ILE A 15 8.614 10.378 5.765 0.50 0.00 N ATOM 233 CA ILE A 15 7.711 10.075 4.617 0.50 0.00 C ATOM 234 C ILE A 15 6.291 9.798 5.136 0.50 0.00 C ATOM 235 O ILE A 15 6.088 8.886 5.912 0.50 0.00 O ATOM 236 CB ILE A 15 8.329 8.832 3.957 0.50 0.00 C ATOM 237 CG1 ILE A 15 9.398 9.291 2.964 0.50 0.00 C ATOM 238 CG2 ILE A 15 7.257 8.023 3.211 0.50 0.00 C ATOM 239 CD1 ILE A 15 10.113 8.080 2.363 0.50 0.00 C ATOM 0 HA ILE A 15 7.624 10.898 3.907 0.50 0.00 H new ATOM 0 HB ILE A 15 8.767 8.197 4.727 0.50 0.00 H new ATOM 0 HG12 ILE A 15 8.939 9.882 2.172 0.50 0.00 H new ATOM 0 HG13 ILE A 15 10.119 9.936 3.466 0.50 0.00 H new ATOM 0 HG21 ILE A 15 7.716 7.148 2.751 0.50 0.00 H new ATOM 0 HG22 ILE A 15 6.488 7.703 3.914 0.50 0.00 H new ATOM 0 HG23 ILE A 15 6.805 8.644 2.438 0.50 0.00 H new ATOM 0 HD11 ILE A 15 10.872 8.419 1.658 0.50 0.00 H new ATOM 0 HD12 ILE A 15 10.588 7.506 3.159 0.50 0.00 H new ATOM 0 HD13 ILE A 15 9.390 7.451 1.844 0.50 0.00 H new ATOM 251 N PRO A 16 5.351 10.599 4.693 0.50 0.00 N ATOM 252 CA PRO A 16 3.944 10.428 5.132 0.50 0.00 C ATOM 253 C PRO A 16 3.328 9.179 4.495 0.50 0.00 C ATOM 254 O PRO A 16 2.352 9.256 3.775 0.50 0.00 O ATOM 255 CB PRO A 16 3.253 11.693 4.629 0.50 0.00 C ATOM 256 CG PRO A 16 4.087 12.157 3.478 0.50 0.00 C ATOM 257 CD PRO A 16 5.502 11.722 3.756 0.50 0.00 C ATOM 0 HA PRO A 16 3.847 10.295 6.210 0.50 0.00 H new ATOM 0 HB2 PRO A 16 2.229 11.486 4.317 0.50 0.00 H new ATOM 0 HB3 PRO A 16 3.201 12.452 5.410 0.50 0.00 H new ATOM 0 HG2 PRO A 16 3.728 11.727 2.543 0.50 0.00 H new ATOM 0 HG3 PRO A 16 4.030 13.240 3.373 0.50 0.00 H new ATOM 0 HD2 PRO A 16 6.012 11.414 2.843 0.50 0.00 H new ATOM 0 HD3 PRO A 16 6.090 12.530 4.192 0.50 0.00 H new ATOM 265 N ASP A 17 3.892 8.030 4.755 0.50 0.00 N ATOM 266 CA ASP A 17 3.339 6.773 4.165 0.50 0.00 C ATOM 267 C ASP A 17 1.939 6.494 4.724 0.50 0.00 C ATOM 268 O ASP A 17 1.763 5.686 5.615 0.50 0.00 O ATOM 269 CB ASP A 17 4.316 5.659 4.571 0.50 0.00 C ATOM 270 CG ASP A 17 4.686 5.788 6.053 0.50 0.00 C ATOM 271 OD1 ASP A 17 3.793 5.702 6.880 0.50 0.00 O ATOM 272 OD2 ASP A 17 5.858 5.973 6.335 0.50 0.00 O ATOM 0 H ASP A 17 4.711 7.906 5.350 0.50 0.00 H new ATOM 0 HA ASP A 17 3.241 6.843 3.082 0.50 0.00 H new ATOM 0 HB2 ASP A 17 3.864 4.685 4.386 0.50 0.00 H new ATOM 0 HB3 ASP A 17 5.216 5.715 3.959 0.50 0.00 H new ATOM 277 N THR A 18 0.941 7.153 4.200 0.50 0.00 N ATOM 278 CA THR A 18 -0.449 6.927 4.691 0.50 0.00 C ATOM 279 C THR A 18 -1.421 6.903 3.511 0.50 0.00 C ATOM 280 O THR A 18 -1.773 7.930 2.963 0.50 0.00 O ATOM 281 CB THR A 18 -0.746 8.113 5.609 0.50 0.00 C ATOM 282 OG1 THR A 18 0.379 8.359 6.441 0.50 0.00 O ATOM 283 CG2 THR A 18 -1.965 7.795 6.476 0.50 0.00 C ATOM 0 H THR A 18 1.029 7.840 3.451 0.50 0.00 H new ATOM 0 HA THR A 18 -0.555 5.976 5.213 0.50 0.00 H new ATOM 0 HB THR A 18 -0.952 8.998 5.006 0.50 0.00 H new ATOM 0 HG1 THR A 18 0.191 9.120 7.029 0.50 0.00 H new ATOM 0 HG21 THR A 18 -2.177 8.641 7.130 0.50 0.00 H new ATOM 0 HG22 THR A 18 -2.827 7.607 5.836 0.50 0.00 H new ATOM 0 HG23 THR A 18 -1.761 6.911 7.080 0.50 0.00 H new ATOM 291 N ILE A 19 -1.853 5.739 3.112 0.50 0.00 N ATOM 292 CA ILE A 19 -2.798 5.646 1.963 0.50 0.00 C ATOM 293 C ILE A 19 -4.245 5.545 2.468 0.50 0.00 C ATOM 294 O ILE A 19 -4.613 4.607 3.142 0.50 0.00 O ATOM 295 CB ILE A 19 -2.372 4.377 1.212 0.50 0.00 C ATOM 296 CG1 ILE A 19 -3.138 4.288 -0.107 0.50 0.00 C ATOM 297 CG2 ILE A 19 -2.666 3.135 2.059 0.50 0.00 C ATOM 298 CD1 ILE A 19 -2.781 5.489 -0.988 0.50 0.00 C ATOM 0 H ILE A 19 -1.592 4.847 3.532 0.50 0.00 H new ATOM 0 HA ILE A 19 -2.766 6.524 1.318 0.50 0.00 H new ATOM 0 HB ILE A 19 -1.301 4.424 1.015 0.50 0.00 H new ATOM 0 HG12 ILE A 19 -2.890 3.360 -0.622 0.50 0.00 H new ATOM 0 HG13 ILE A 19 -4.211 4.270 0.084 0.50 0.00 H new ATOM 0 HG21 ILE A 19 -2.359 2.242 1.514 0.50 0.00 H new ATOM 0 HG22 ILE A 19 -2.114 3.195 2.997 0.50 0.00 H new ATOM 0 HG23 ILE A 19 -3.734 3.082 2.269 0.50 0.00 H new ATOM 0 HD11 ILE A 19 -3.328 5.425 -1.929 0.50 0.00 H new ATOM 0 HD12 ILE A 19 -3.051 6.411 -0.473 0.50 0.00 H new ATOM 0 HD13 ILE A 19 -1.710 5.487 -1.190 0.50 0.00 H new ATOM 310 N VAL A 20 -5.067 6.511 2.153 0.50 0.00 N ATOM 311 CA VAL A 20 -6.481 6.467 2.628 0.50 0.00 C ATOM 312 C VAL A 20 -7.450 6.685 1.461 0.50 0.00 C ATOM 313 O VAL A 20 -7.164 7.408 0.527 0.50 0.00 O ATOM 314 CB VAL A 20 -6.592 7.607 3.639 0.50 0.00 C ATOM 315 CG1 VAL A 20 -8.018 7.663 4.188 0.50 0.00 C ATOM 316 CG2 VAL A 20 -5.614 7.366 4.791 0.50 0.00 C ATOM 0 H VAL A 20 -4.822 7.325 1.590 0.50 0.00 H new ATOM 0 HA VAL A 20 -6.736 5.503 3.067 0.50 0.00 H new ATOM 0 HB VAL A 20 -6.352 8.551 3.149 0.50 0.00 H new ATOM 0 HG11 VAL A 20 -8.098 8.476 4.910 0.50 0.00 H new ATOM 0 HG12 VAL A 20 -8.717 7.834 3.369 0.50 0.00 H new ATOM 0 HG13 VAL A 20 -8.257 6.719 4.677 0.50 0.00 H new ATOM 0 HG21 VAL A 20 -5.694 8.180 5.512 0.50 0.00 H new ATOM 0 HG22 VAL A 20 -5.854 6.422 5.281 0.50 0.00 H new ATOM 0 HG23 VAL A 20 -4.597 7.324 4.402 0.50 0.00 H new ATOM 326 N VAL A 21 -8.595 6.061 1.516 0.50 0.00 N ATOM 327 CA VAL A 21 -9.596 6.214 0.419 0.50 0.00 C ATOM 328 C VAL A 21 -11.016 6.116 0.986 0.50 0.00 C ATOM 329 O VAL A 21 -11.229 5.582 2.055 0.50 0.00 O ATOM 330 CB VAL A 21 -9.318 5.047 -0.532 0.50 0.00 C ATOM 331 CG1 VAL A 21 -9.261 3.741 0.265 0.50 0.00 C ATOM 332 CG2 VAL A 21 -10.431 4.955 -1.578 0.50 0.00 C ATOM 0 H VAL A 21 -8.883 5.448 2.278 0.50 0.00 H new ATOM 0 HA VAL A 21 -9.518 7.178 -0.083 0.50 0.00 H new ATOM 0 HB VAL A 21 -8.364 5.212 -1.033 0.50 0.00 H new ATOM 0 HG11 VAL A 21 -9.063 2.910 -0.412 0.50 0.00 H new ATOM 0 HG12 VAL A 21 -8.465 3.802 1.007 0.50 0.00 H new ATOM 0 HG13 VAL A 21 -10.214 3.580 0.768 0.50 0.00 H new ATOM 0 HG21 VAL A 21 -10.229 4.123 -2.252 0.50 0.00 H new ATOM 0 HG22 VAL A 21 -11.387 4.794 -1.079 0.50 0.00 H new ATOM 0 HG23 VAL A 21 -10.472 5.883 -2.149 0.50 0.00 H new ATOM 342 N VAL A 22 -11.987 6.623 0.273 0.50 0.00 N ATOM 343 CA VAL A 22 -13.393 6.552 0.769 0.50 0.00 C ATOM 344 C VAL A 22 -14.085 5.304 0.209 0.50 0.00 C ATOM 345 O VAL A 22 -15.135 5.382 -0.396 0.50 0.00 O ATOM 346 CB VAL A 22 -14.066 7.825 0.249 0.50 0.00 C ATOM 347 CG1 VAL A 22 -15.529 7.852 0.697 0.50 0.00 C ATOM 348 CG2 VAL A 22 -13.342 9.052 0.811 0.50 0.00 C ATOM 0 H VAL A 22 -11.868 7.082 -0.630 0.50 0.00 H new ATOM 0 HA VAL A 22 -13.446 6.484 1.856 0.50 0.00 H new ATOM 0 HB VAL A 22 -14.018 7.839 -0.840 0.50 0.00 H new ATOM 0 HG11 VAL A 22 -16.006 8.759 0.326 0.50 0.00 H new ATOM 0 HG12 VAL A 22 -16.048 6.980 0.299 0.50 0.00 H new ATOM 0 HG13 VAL A 22 -15.576 7.836 1.786 0.50 0.00 H new ATOM 0 HG21 VAL A 22 -13.821 9.958 0.441 0.50 0.00 H new ATOM 0 HG22 VAL A 22 -13.389 9.035 1.900 0.50 0.00 H new ATOM 0 HG23 VAL A 22 -12.300 9.037 0.493 0.50 0.00 H new ATOM 358 N ALA A 23 -13.499 4.153 0.420 0.50 0.00 N ATOM 359 CA ALA A 23 -14.101 2.877 -0.080 0.50 0.00 C ATOM 360 C ALA A 23 -14.585 3.015 -1.529 0.50 0.00 C ATOM 361 O ALA A 23 -15.702 3.422 -1.785 0.50 0.00 O ATOM 362 CB ALA A 23 -15.277 2.604 0.856 0.50 0.00 C ATOM 0 H ALA A 23 -12.619 4.041 0.923 0.50 0.00 H new ATOM 0 HA ALA A 23 -13.374 2.065 -0.082 0.50 0.00 H new ATOM 0 HB1 ALA A 23 -15.774 1.681 0.556 0.50 0.00 H new ATOM 0 HB2 ALA A 23 -14.913 2.504 1.878 0.50 0.00 H new ATOM 0 HB3 ALA A 23 -15.985 3.431 0.802 0.50 0.00 H new ATOM 368 N GLY A 24 -13.756 2.664 -2.476 0.50 0.00 N ATOM 369 CA GLY A 24 -14.167 2.758 -3.907 0.50 0.00 C ATOM 370 C GLY A 24 -14.035 4.201 -4.398 0.50 0.00 C ATOM 371 O GLY A 24 -14.943 4.746 -4.995 0.50 0.00 O ATOM 0 H GLY A 24 -12.810 2.316 -2.320 0.50 0.00 H new ATOM 0 HA2 GLY A 24 -13.546 2.100 -4.516 0.50 0.00 H new ATOM 0 HA3 GLY A 24 -15.197 2.420 -4.021 0.50 0.00 H new ATOM 375 N ASN A 25 -12.911 4.821 -4.160 0.50 0.00 N ATOM 376 CA ASN A 25 -12.723 6.227 -4.623 0.50 0.00 C ATOM 377 C ASN A 25 -11.310 6.414 -5.176 0.50 0.00 C ATOM 378 O ASN A 25 -10.426 5.618 -4.928 0.50 0.00 O ATOM 379 CB ASN A 25 -12.931 7.095 -3.381 0.50 0.00 C ATOM 380 CG ASN A 25 -14.233 7.887 -3.519 0.50 0.00 C ATOM 381 OD1 ASN A 25 -15.295 7.399 -3.186 0.50 0.00 O ATOM 382 ND2 ASN A 25 -14.196 9.100 -4.001 0.50 0.00 N ATOM 0 H ASN A 25 -12.116 4.416 -3.666 0.50 0.00 H new ATOM 0 HA ASN A 25 -13.417 6.492 -5.420 0.50 0.00 H new ATOM 0 HB2 ASN A 25 -12.967 6.469 -2.490 0.50 0.00 H new ATOM 0 HB3 ASN A 25 -12.090 7.777 -3.257 0.50 0.00 H new ATOM 0 HD21 ASN A 25 -15.058 9.637 -4.098 0.50 0.00 H new ATOM 0 HD22 ASN A 25 -13.305 9.511 -4.281 0.50 0.00 H new ATOM 389 N LYS A 26 -11.092 7.465 -5.916 0.50 0.00 N ATOM 390 CA LYS A 26 -9.735 7.713 -6.484 0.50 0.00 C ATOM 391 C LYS A 26 -8.809 8.257 -5.397 0.50 0.00 C ATOM 392 O LYS A 26 -8.964 9.374 -4.941 0.50 0.00 O ATOM 393 CB LYS A 26 -9.946 8.760 -7.578 0.50 0.00 C ATOM 394 CG LYS A 26 -10.751 8.148 -8.727 0.50 0.00 C ATOM 395 CD LYS A 26 -11.722 9.190 -9.284 0.50 0.00 C ATOM 396 CE LYS A 26 -10.933 10.319 -9.951 0.50 0.00 C ATOM 397 NZ LYS A 26 -11.857 11.487 -9.947 0.50 0.00 N ATOM 0 H LYS A 26 -11.795 8.165 -6.153 0.50 0.00 H new ATOM 0 HA LYS A 26 -9.276 6.805 -6.875 0.50 0.00 H new ATOM 0 HB2 LYS A 26 -10.472 9.624 -7.172 0.50 0.00 H new ATOM 0 HB3 LYS A 26 -8.983 9.116 -7.945 0.50 0.00 H new ATOM 0 HG2 LYS A 26 -10.079 7.805 -9.514 0.50 0.00 H new ATOM 0 HG3 LYS A 26 -11.301 7.275 -8.375 0.50 0.00 H new ATOM 0 HD2 LYS A 26 -12.395 8.727 -10.006 0.50 0.00 H new ATOM 0 HD3 LYS A 26 -12.342 9.590 -8.482 0.50 0.00 H new ATOM 0 HE2 LYS A 26 -10.017 10.538 -9.403 0.50 0.00 H new ATOM 0 HE3 LYS A 26 -10.640 10.050 -10.966 0.50 0.00 H new ATOM 0 HZ1 LYS A 26 -11.387 12.303 -10.389 0.50 0.00 H new ATOM 0 HZ2 LYS A 26 -12.717 11.251 -10.482 0.50 0.00 H new ATOM 0 HZ3 LYS A 26 -12.113 11.724 -8.967 0.50 0.00 H new ATOM 411 N LEU A 27 -7.853 7.478 -4.970 0.50 0.00 N ATOM 412 CA LEU A 27 -6.930 7.955 -3.904 0.50 0.00 C ATOM 413 C LEU A 27 -5.519 8.160 -4.471 0.50 0.00 C ATOM 414 O LEU A 27 -5.053 7.402 -5.299 0.50 0.00 O ATOM 415 CB LEU A 27 -6.961 6.841 -2.847 0.50 0.00 C ATOM 416 CG LEU A 27 -5.619 6.752 -2.109 0.50 0.00 C ATOM 417 CD1 LEU A 27 -5.276 8.104 -1.478 0.50 0.00 C ATOM 418 CD2 LEU A 27 -5.720 5.693 -1.012 0.50 0.00 C ATOM 0 H LEU A 27 -7.672 6.534 -5.313 0.50 0.00 H new ATOM 0 HA LEU A 27 -7.225 8.917 -3.485 0.50 0.00 H new ATOM 0 HB2 LEU A 27 -7.762 7.033 -2.133 0.50 0.00 H new ATOM 0 HB3 LEU A 27 -7.182 5.887 -3.325 0.50 0.00 H new ATOM 0 HG LEU A 27 -4.836 6.481 -2.818 0.50 0.00 H new ATOM 0 HD11 LEU A 27 -4.322 8.030 -0.956 0.50 0.00 H new ATOM 0 HD12 LEU A 27 -5.206 8.862 -2.258 0.50 0.00 H new ATOM 0 HD13 LEU A 27 -6.056 8.383 -0.770 0.50 0.00 H new ATOM 0 HD21 LEU A 27 -4.769 5.625 -0.484 0.50 0.00 H new ATOM 0 HD22 LEU A 27 -6.506 5.970 -0.310 0.50 0.00 H new ATOM 0 HD23 LEU A 27 -5.957 4.727 -1.459 0.50 0.00 H new ATOM 430 N ARG A 28 -4.839 9.180 -4.017 0.50 0.00 N ATOM 431 CA ARG A 28 -3.455 9.446 -4.506 0.50 0.00 C ATOM 432 C ARG A 28 -2.517 9.647 -3.312 0.50 0.00 C ATOM 433 O ARG A 28 -2.810 10.400 -2.405 0.50 0.00 O ATOM 434 CB ARG A 28 -3.565 10.731 -5.328 0.50 0.00 C ATOM 435 CG ARG A 28 -2.255 10.970 -6.084 0.50 0.00 C ATOM 436 CD ARG A 28 -2.385 10.441 -7.516 0.50 0.00 C ATOM 437 NE ARG A 28 -1.875 11.542 -8.380 0.50 0.00 N ATOM 438 CZ ARG A 28 -2.431 11.774 -9.537 0.50 0.00 C ATOM 439 NH1 ARG A 28 -1.854 11.362 -10.633 0.50 0.00 N ATOM 440 NH2 ARG A 28 -3.565 12.417 -9.600 0.50 0.00 N ATOM 0 H ARG A 28 -5.186 9.844 -3.324 0.50 0.00 H new ATOM 0 HA ARG A 28 -3.053 8.623 -5.097 0.50 0.00 H new ATOM 0 HB2 ARG A 28 -4.394 10.655 -6.032 0.50 0.00 H new ATOM 0 HB3 ARG A 28 -3.779 11.576 -4.674 0.50 0.00 H new ATOM 0 HG2 ARG A 28 -2.021 12.034 -6.099 0.50 0.00 H new ATOM 0 HG3 ARG A 28 -1.432 10.469 -5.574 0.50 0.00 H new ATOM 0 HD2 ARG A 28 -1.804 9.529 -7.654 0.50 0.00 H new ATOM 0 HD3 ARG A 28 -3.421 10.199 -7.755 0.50 0.00 H new ATOM 0 HE ARG A 28 -1.091 12.115 -8.067 0.50 0.00 H new ATOM 0 HH11 ARG A 28 -0.968 10.859 -10.585 0.50 0.00 H new ATOM 0 HH12 ARG A 28 -2.289 11.543 -11.538 0.50 0.00 H new ATOM 0 HH21 ARG A 28 -4.017 12.739 -8.744 0.50 0.00 H new ATOM 0 HH22 ARG A 28 -3.999 12.598 -10.505 0.50 0.00 H new ATOM 454 N LEU A 29 -1.395 8.977 -3.301 0.50 0.00 N ATOM 455 CA LEU A 29 -0.445 9.130 -2.158 0.50 0.00 C ATOM 456 C LEU A 29 0.951 9.473 -2.677 0.50 0.00 C ATOM 457 O LEU A 29 1.486 8.799 -3.533 0.50 0.00 O ATOM 458 CB LEU A 29 -0.447 7.767 -1.461 0.50 0.00 C ATOM 459 CG LEU A 29 0.609 7.737 -0.353 0.50 0.00 C ATOM 460 CD1 LEU A 29 0.322 8.843 0.663 0.50 0.00 C ATOM 461 CD2 LEU A 29 0.567 6.382 0.355 0.50 0.00 C ATOM 0 H LEU A 29 -1.095 8.332 -4.032 0.50 0.00 H new ATOM 0 HA LEU A 29 -0.734 9.933 -1.480 0.50 0.00 H new ATOM 0 HB2 LEU A 29 -1.432 7.568 -1.040 0.50 0.00 H new ATOM 0 HB3 LEU A 29 -0.245 6.979 -2.187 0.50 0.00 H new ATOM 0 HG LEU A 29 1.594 7.893 -0.792 0.50 0.00 H new ATOM 0 HD11 LEU A 29 1.076 8.819 1.450 0.50 0.00 H new ATOM 0 HD12 LEU A 29 0.350 9.812 0.164 0.50 0.00 H new ATOM 0 HD13 LEU A 29 -0.664 8.688 1.100 0.50 0.00 H new ATOM 0 HD21 LEU A 29 1.319 6.360 1.144 0.50 0.00 H new ATOM 0 HD22 LEU A 29 -0.421 6.229 0.790 0.50 0.00 H new ATOM 0 HD23 LEU A 29 0.773 5.589 -0.364 0.50 0.00 H new ATOM 473 N ASP A 30 1.542 10.517 -2.163 0.50 0.00 N ATOM 474 CA ASP A 30 2.904 10.909 -2.629 0.50 0.00 C ATOM 475 C ASP A 30 3.882 10.967 -1.451 0.50 0.00 C ATOM 476 O ASP A 30 3.639 11.627 -0.460 0.50 0.00 O ATOM 477 CB ASP A 30 2.726 12.298 -3.243 0.50 0.00 C ATOM 478 CG ASP A 30 1.779 12.210 -4.441 0.50 0.00 C ATOM 479 OD1 ASP A 30 0.598 11.994 -4.222 0.50 0.00 O ATOM 480 OD2 ASP A 30 2.250 12.360 -5.556 0.50 0.00 O ATOM 0 H ASP A 30 1.141 11.116 -1.441 0.50 0.00 H new ATOM 0 HA ASP A 30 3.314 10.193 -3.341 0.50 0.00 H new ATOM 0 HB2 ASP A 30 2.325 12.987 -2.499 0.50 0.00 H new ATOM 0 HB3 ASP A 30 3.691 12.694 -3.558 0.50 0.00 H new ATOM 485 N VAL A 31 4.990 10.285 -1.561 0.50 0.00 N ATOM 486 CA VAL A 31 5.998 10.299 -0.458 0.50 0.00 C ATOM 487 C VAL A 31 7.416 10.349 -1.051 0.50 0.00 C ATOM 488 O VAL A 31 7.793 9.489 -1.821 0.50 0.00 O ATOM 489 CB VAL A 31 5.774 8.998 0.322 0.50 0.00 C ATOM 490 CG1 VAL A 31 4.522 9.133 1.189 0.50 0.00 C ATOM 491 CG2 VAL A 31 5.592 7.830 -0.650 0.50 0.00 C ATOM 0 H VAL A 31 5.243 9.716 -2.369 0.50 0.00 H new ATOM 0 HA VAL A 31 5.891 11.169 0.190 0.50 0.00 H new ATOM 0 HB VAL A 31 6.642 8.808 0.954 0.50 0.00 H new ATOM 0 HG11 VAL A 31 4.362 8.208 1.744 0.50 0.00 H new ATOM 0 HG12 VAL A 31 4.651 9.958 1.889 0.50 0.00 H new ATOM 0 HG13 VAL A 31 3.658 9.329 0.553 0.50 0.00 H new ATOM 0 HG21 VAL A 31 5.433 6.910 -0.088 0.50 0.00 H new ATOM 0 HG22 VAL A 31 4.729 8.019 -1.288 0.50 0.00 H new ATOM 0 HG23 VAL A 31 6.484 7.728 -1.268 0.50 0.00 H new ATOM 501 N PRO A 32 8.154 11.371 -0.685 0.50 0.00 N ATOM 502 CA PRO A 32 9.534 11.540 -1.208 0.50 0.00 C ATOM 503 C PRO A 32 10.517 10.599 -0.505 0.50 0.00 C ATOM 504 O PRO A 32 10.390 10.318 0.668 0.50 0.00 O ATOM 505 CB PRO A 32 9.861 12.994 -0.885 0.50 0.00 C ATOM 506 CG PRO A 32 8.989 13.346 0.281 0.50 0.00 C ATOM 507 CD PRO A 32 7.777 12.452 0.235 0.50 0.00 C ATOM 0 HA PRO A 32 9.610 11.306 -2.270 0.50 0.00 H new ATOM 0 HB2 PRO A 32 10.916 13.114 -0.638 0.50 0.00 H new ATOM 0 HB3 PRO A 32 9.658 13.642 -1.738 0.50 0.00 H new ATOM 0 HG2 PRO A 32 9.530 13.209 1.218 0.50 0.00 H new ATOM 0 HG3 PRO A 32 8.693 14.394 0.234 0.50 0.00 H new ATOM 0 HD2 PRO A 32 7.532 12.064 1.224 0.50 0.00 H new ATOM 0 HD3 PRO A 32 6.900 12.990 -0.123 0.50 0.00 H new ATOM 515 N ILE A 33 11.504 10.120 -1.217 0.50 0.00 N ATOM 516 CA ILE A 33 12.505 9.202 -0.595 0.50 0.00 C ATOM 517 C ILE A 33 13.910 9.550 -1.095 0.50 0.00 C ATOM 518 O ILE A 33 14.075 10.323 -2.018 0.50 0.00 O ATOM 519 CB ILE A 33 12.128 7.778 -1.045 0.50 0.00 C ATOM 520 CG1 ILE A 33 10.624 7.677 -1.349 0.50 0.00 C ATOM 521 CG2 ILE A 33 12.486 6.785 0.067 0.50 0.00 C ATOM 522 CD1 ILE A 33 10.331 6.342 -2.037 0.50 0.00 C ATOM 0 H ILE A 33 11.660 10.325 -2.204 0.50 0.00 H new ATOM 0 HA ILE A 33 12.502 9.289 0.492 0.50 0.00 H new ATOM 0 HB ILE A 33 12.682 7.544 -1.954 0.50 0.00 H new ATOM 0 HG12 ILE A 33 10.049 7.756 -0.426 0.50 0.00 H new ATOM 0 HG13 ILE A 33 10.315 8.504 -1.989 0.50 0.00 H new ATOM 0 HG21 ILE A 33 12.221 5.776 -0.247 0.50 0.00 H new ATOM 0 HG22 ILE A 33 13.556 6.833 0.267 0.50 0.00 H new ATOM 0 HG23 ILE A 33 11.936 7.039 0.973 0.50 0.00 H new ATOM 0 HD11 ILE A 33 9.265 6.270 -2.253 0.50 0.00 H new ATOM 0 HD12 ILE A 33 10.894 6.281 -2.968 0.50 0.00 H new ATOM 0 HD13 ILE A 33 10.625 5.522 -1.381 0.50 0.00 H new ATOM 534 N SER A 34 14.922 8.978 -0.497 0.50 0.00 N ATOM 535 CA SER A 34 16.316 9.270 -0.946 0.50 0.00 C ATOM 536 C SER A 34 16.652 8.423 -2.179 0.50 0.00 C ATOM 537 O SER A 34 15.792 8.125 -2.985 0.50 0.00 O ATOM 538 CB SER A 34 17.203 8.885 0.240 0.50 0.00 C ATOM 539 OG SER A 34 18.197 9.884 0.426 0.50 0.00 O ATOM 0 H SER A 34 14.844 8.323 0.281 0.50 0.00 H new ATOM 0 HA SER A 34 16.457 10.313 -1.229 0.50 0.00 H new ATOM 0 HB2 SER A 34 16.600 8.783 1.142 0.50 0.00 H new ATOM 0 HB3 SER A 34 17.672 7.918 0.059 0.50 0.00 H new ATOM 0 HG SER A 34 18.766 9.642 1.186 0.50 0.00 H new ATOM 545 N GLY A 35 17.890 8.031 -2.336 0.50 0.00 N ATOM 546 CA GLY A 35 18.265 7.205 -3.519 0.50 0.00 C ATOM 547 C GLY A 35 18.393 8.101 -4.750 0.50 0.00 C ATOM 548 O GLY A 35 17.689 9.082 -4.891 0.50 0.00 O ATOM 0 H GLY A 35 18.655 8.247 -1.697 0.50 0.00 H new ATOM 0 HA2 GLY A 35 19.207 6.690 -3.332 0.50 0.00 H new ATOM 0 HA3 GLY A 35 17.511 6.437 -3.693 0.50 0.00 H new ATOM 552 N ASP A 36 19.286 7.771 -5.642 0.50 0.00 N ATOM 553 CA ASP A 36 19.465 8.602 -6.869 0.50 0.00 C ATOM 554 C ASP A 36 19.993 7.733 -8.024 0.50 0.00 C ATOM 555 O ASP A 36 20.921 6.974 -7.835 0.50 0.00 O ATOM 556 CB ASP A 36 20.501 9.658 -6.479 0.50 0.00 C ATOM 557 CG ASP A 36 20.215 10.958 -7.232 0.50 0.00 C ATOM 558 OD1 ASP A 36 20.613 11.053 -8.381 0.50 0.00 O ATOM 559 OD2 ASP A 36 19.602 11.836 -6.647 0.50 0.00 O ATOM 0 H ASP A 36 19.901 6.960 -5.575 0.50 0.00 H new ATOM 0 HA ASP A 36 18.531 9.049 -7.208 0.50 0.00 H new ATOM 0 HB2 ASP A 36 20.469 9.834 -5.404 0.50 0.00 H new ATOM 0 HB3 ASP A 36 21.504 9.302 -6.714 0.50 0.00 H new ATOM 564 N PRO A 37 19.396 7.865 -9.191 0.50 0.00 N ATOM 565 CA PRO A 37 18.260 8.801 -9.399 0.50 0.00 C ATOM 566 C PRO A 37 16.967 8.215 -8.822 0.50 0.00 C ATOM 567 O PRO A 37 16.345 8.798 -7.956 0.50 0.00 O ATOM 568 CB PRO A 37 18.170 8.925 -10.916 0.50 0.00 C ATOM 569 CG PRO A 37 18.777 7.668 -11.456 0.50 0.00 C ATOM 570 CD PRO A 37 19.741 7.143 -10.421 0.50 0.00 C ATOM 0 HA PRO A 37 18.403 9.762 -8.905 0.50 0.00 H new ATOM 0 HB2 PRO A 37 17.135 9.032 -11.240 0.50 0.00 H new ATOM 0 HB3 PRO A 37 18.708 9.804 -11.271 0.50 0.00 H new ATOM 0 HG2 PRO A 37 18.003 6.930 -11.667 0.50 0.00 H new ATOM 0 HG3 PRO A 37 19.294 7.866 -12.395 0.50 0.00 H new ATOM 0 HD2 PRO A 37 19.635 6.066 -10.291 0.50 0.00 H new ATOM 0 HD3 PRO A 37 20.775 7.329 -10.712 0.50 0.00 H new ATOM 578 N ALA A 38 16.560 7.069 -9.297 0.50 0.00 N ATOM 579 CA ALA A 38 15.307 6.446 -8.777 0.50 0.00 C ATOM 580 C ALA A 38 15.637 5.179 -7.974 0.50 0.00 C ATOM 581 O ALA A 38 16.316 4.299 -8.464 0.50 0.00 O ATOM 582 CB ALA A 38 14.491 6.095 -10.021 0.50 0.00 C ATOM 0 H ALA A 38 17.040 6.537 -10.023 0.50 0.00 H new ATOM 0 HA ALA A 38 14.763 7.113 -8.108 0.50 0.00 H new ATOM 0 HB1 ALA A 38 13.551 5.631 -9.721 0.50 0.00 H new ATOM 0 HB2 ALA A 38 14.283 7.003 -10.588 0.50 0.00 H new ATOM 0 HB3 ALA A 38 15.056 5.401 -10.643 0.50 0.00 H new ATOM 588 N PRO A 39 15.146 5.129 -6.761 0.50 0.00 N ATOM 589 CA PRO A 39 15.397 3.962 -5.888 0.50 0.00 C ATOM 590 C PRO A 39 14.370 2.859 -6.159 0.50 0.00 C ATOM 591 O PRO A 39 13.637 2.904 -7.127 0.50 0.00 O ATOM 592 CB PRO A 39 15.213 4.529 -4.485 0.50 0.00 C ATOM 593 CG PRO A 39 14.303 5.713 -4.640 0.50 0.00 C ATOM 594 CD PRO A 39 14.323 6.140 -6.090 0.50 0.00 C ATOM 0 HA PRO A 39 16.378 3.512 -6.044 0.50 0.00 H new ATOM 0 HB2 PRO A 39 14.778 3.786 -3.817 0.50 0.00 H new ATOM 0 HB3 PRO A 39 16.169 4.824 -4.054 0.50 0.00 H new ATOM 0 HG2 PRO A 39 13.289 5.455 -4.334 0.50 0.00 H new ATOM 0 HG3 PRO A 39 14.631 6.531 -3.999 0.50 0.00 H new ATOM 0 HD2 PRO A 39 13.317 6.173 -6.508 0.50 0.00 H new ATOM 0 HD3 PRO A 39 14.748 7.137 -6.204 0.50 0.00 H new ATOM 602 N THR A 40 14.307 1.877 -5.301 0.50 0.00 N ATOM 603 CA THR A 40 13.322 0.775 -5.493 0.50 0.00 C ATOM 604 C THR A 40 12.399 0.700 -4.276 0.50 0.00 C ATOM 605 O THR A 40 12.650 -0.030 -3.338 0.50 0.00 O ATOM 606 CB THR A 40 14.157 -0.503 -5.611 0.50 0.00 C ATOM 607 OG1 THR A 40 15.413 -0.200 -6.203 0.50 0.00 O ATOM 608 CG2 THR A 40 13.415 -1.520 -6.480 0.50 0.00 C ATOM 0 H THR A 40 14.897 1.791 -4.473 0.50 0.00 H new ATOM 0 HA THR A 40 12.696 0.925 -6.373 0.50 0.00 H new ATOM 0 HB THR A 40 14.317 -0.922 -4.618 0.50 0.00 H new ATOM 0 HG1 THR A 40 16.031 0.122 -5.513 0.50 0.00 H new ATOM 0 HG21 THR A 40 14.010 -2.430 -6.564 0.50 0.00 H new ATOM 0 HG22 THR A 40 12.454 -1.756 -6.024 0.50 0.00 H new ATOM 0 HG23 THR A 40 13.252 -1.100 -7.473 0.50 0.00 H new ATOM 616 N VAL A 41 11.339 1.459 -4.284 0.50 0.00 N ATOM 617 CA VAL A 41 10.400 1.446 -3.125 0.50 0.00 C ATOM 618 C VAL A 41 9.282 0.419 -3.346 0.50 0.00 C ATOM 619 O VAL A 41 8.313 0.675 -4.033 0.50 0.00 O ATOM 620 CB VAL A 41 9.833 2.868 -3.054 0.50 0.00 C ATOM 621 CG1 VAL A 41 9.103 3.209 -4.358 0.50 0.00 C ATOM 622 CG2 VAL A 41 8.856 2.967 -1.879 0.50 0.00 C ATOM 0 H VAL A 41 11.081 2.089 -5.044 0.50 0.00 H new ATOM 0 HA VAL A 41 10.898 1.163 -2.197 0.50 0.00 H new ATOM 0 HB VAL A 41 10.652 3.573 -2.911 0.50 0.00 H new ATOM 0 HG11 VAL A 41 8.704 4.221 -4.297 0.50 0.00 H new ATOM 0 HG12 VAL A 41 9.800 3.143 -5.193 0.50 0.00 H new ATOM 0 HG13 VAL A 41 8.285 2.505 -4.512 0.50 0.00 H new ATOM 0 HG21 VAL A 41 8.451 3.978 -1.826 0.50 0.00 H new ATOM 0 HG22 VAL A 41 8.041 2.257 -2.022 0.50 0.00 H new ATOM 0 HG23 VAL A 41 9.379 2.737 -0.951 0.50 0.00 H new ATOM 632 N ILE A 42 9.413 -0.742 -2.763 0.50 0.00 N ATOM 633 CA ILE A 42 8.365 -1.791 -2.931 0.50 0.00 C ATOM 634 C ILE A 42 7.301 -1.653 -1.831 0.50 0.00 C ATOM 635 O ILE A 42 7.597 -1.743 -0.657 0.50 0.00 O ATOM 636 CB ILE A 42 9.135 -3.123 -2.823 0.50 0.00 C ATOM 637 CG1 ILE A 42 9.152 -3.811 -4.193 0.50 0.00 C ATOM 638 CG2 ILE A 42 8.480 -4.057 -1.796 0.50 0.00 C ATOM 639 CD1 ILE A 42 10.569 -4.299 -4.502 0.50 0.00 C ATOM 0 H ILE A 42 10.203 -1.010 -2.176 0.50 0.00 H new ATOM 0 HA ILE A 42 7.829 -1.716 -3.877 0.50 0.00 H new ATOM 0 HB ILE A 42 10.152 -2.908 -2.496 0.50 0.00 H new ATOM 0 HG12 ILE A 42 8.457 -4.651 -4.198 0.50 0.00 H new ATOM 0 HG13 ILE A 42 8.819 -3.117 -4.964 0.50 0.00 H new ATOM 0 HG21 ILE A 42 9.043 -4.989 -1.740 0.50 0.00 H new ATOM 0 HG22 ILE A 42 8.476 -3.576 -0.818 0.50 0.00 H new ATOM 0 HG23 ILE A 42 7.455 -4.270 -2.100 0.50 0.00 H new ATOM 0 HD11 ILE A 42 10.581 -4.788 -5.476 0.50 0.00 H new ATOM 0 HD12 ILE A 42 11.252 -3.449 -4.514 0.50 0.00 H new ATOM 0 HD13 ILE A 42 10.885 -5.008 -3.736 0.50 0.00 H new ATOM 651 N TRP A 43 6.065 -1.440 -2.207 0.50 0.00 N ATOM 652 CA TRP A 43 4.982 -1.305 -1.185 0.50 0.00 C ATOM 653 C TRP A 43 4.547 -2.693 -0.704 0.50 0.00 C ATOM 654 O TRP A 43 3.849 -3.405 -1.399 0.50 0.00 O ATOM 655 CB TRP A 43 3.823 -0.617 -1.915 0.50 0.00 C ATOM 656 CG TRP A 43 4.139 0.829 -2.128 0.50 0.00 C ATOM 657 CD1 TRP A 43 4.432 1.389 -3.324 0.50 0.00 C ATOM 658 CD2 TRP A 43 4.196 1.905 -1.147 0.50 0.00 C ATOM 659 NE1 TRP A 43 4.667 2.740 -3.139 0.50 0.00 N ATOM 660 CE2 TRP A 43 4.535 3.105 -1.814 0.50 0.00 C ATOM 661 CE3 TRP A 43 3.990 1.956 0.243 0.50 0.00 C ATOM 662 CZ2 TRP A 43 4.666 4.312 -1.126 0.50 0.00 C ATOM 663 CZ3 TRP A 43 4.124 3.166 0.938 0.50 0.00 C ATOM 664 CH2 TRP A 43 4.461 4.343 0.256 0.50 0.00 C ATOM 0 H TRP A 43 5.759 -1.354 -3.176 0.50 0.00 H new ATOM 0 HA TRP A 43 5.308 -0.740 -0.312 0.50 0.00 H new ATOM 0 HB2 TRP A 43 3.646 -1.104 -2.874 0.50 0.00 H new ATOM 0 HB3 TRP A 43 2.906 -0.716 -1.333 0.50 0.00 H new ATOM 0 HD1 TRP A 43 4.475 0.867 -4.269 0.50 0.00 H new ATOM 0 HE1 TRP A 43 4.908 3.387 -3.890 0.50 0.00 H new ATOM 0 HE3 TRP A 43 3.727 1.056 0.779 0.50 0.00 H new ATOM 0 HZ2 TRP A 43 4.924 5.216 -1.658 0.50 0.00 H new ATOM 0 HZ3 TRP A 43 3.966 3.191 2.006 0.50 0.00 H new ATOM 0 HH2 TRP A 43 4.562 5.272 0.797 0.50 0.00 H new ATOM 675 N GLN A 44 4.950 -3.085 0.476 0.50 0.00 N ATOM 676 CA GLN A 44 4.552 -4.431 0.987 0.50 0.00 C ATOM 677 C GLN A 44 3.338 -4.310 1.912 0.50 0.00 C ATOM 678 O GLN A 44 3.036 -3.247 2.419 0.50 0.00 O ATOM 679 CB GLN A 44 5.768 -4.941 1.761 0.50 0.00 C ATOM 680 CG GLN A 44 5.829 -6.467 1.669 0.50 0.00 C ATOM 681 CD GLN A 44 6.602 -7.021 2.867 0.50 0.00 C ATOM 682 OE1 GLN A 44 6.047 -7.719 3.692 0.50 0.00 O ATOM 683 NE2 GLN A 44 7.869 -6.738 2.999 0.50 0.00 N ATOM 0 H GLN A 44 5.534 -2.535 1.106 0.50 0.00 H new ATOM 0 HA GLN A 44 4.270 -5.109 0.181 0.50 0.00 H new ATOM 0 HB2 GLN A 44 6.680 -4.505 1.354 0.50 0.00 H new ATOM 0 HB3 GLN A 44 5.704 -4.631 2.804 0.50 0.00 H new ATOM 0 HG2 GLN A 44 4.821 -6.881 1.650 0.50 0.00 H new ATOM 0 HG3 GLN A 44 6.314 -6.767 0.740 0.50 0.00 H new ATOM 0 HE21 GLN A 44 8.336 -6.152 2.307 0.50 0.00 H new ATOM 0 HE22 GLN A 44 8.393 -7.103 3.795 0.50 0.00 H new ATOM 692 N LYS A 45 2.640 -5.392 2.134 0.50 0.00 N ATOM 693 CA LYS A 45 1.444 -5.342 3.025 0.50 0.00 C ATOM 694 C LYS A 45 1.734 -6.072 4.340 0.50 0.00 C ATOM 695 O LYS A 45 2.529 -6.990 4.389 0.50 0.00 O ATOM 696 CB LYS A 45 0.338 -6.056 2.247 0.50 0.00 C ATOM 697 CG LYS A 45 -0.960 -6.021 3.057 0.50 0.00 C ATOM 698 CD LYS A 45 -2.158 -6.083 2.107 0.50 0.00 C ATOM 699 CE LYS A 45 -3.454 -5.914 2.905 0.50 0.00 C ATOM 700 NZ LYS A 45 -4.370 -6.965 2.380 0.50 0.00 N ATOM 0 H LYS A 45 2.846 -6.309 1.737 0.50 0.00 H new ATOM 0 HA LYS A 45 1.164 -4.321 3.284 0.50 0.00 H new ATOM 0 HB2 LYS A 45 0.189 -5.574 1.281 0.50 0.00 H new ATOM 0 HB3 LYS A 45 0.627 -7.088 2.048 0.50 0.00 H new ATOM 0 HG2 LYS A 45 -0.990 -6.860 3.752 0.50 0.00 H new ATOM 0 HG3 LYS A 45 -1.003 -5.111 3.655 0.50 0.00 H new ATOM 0 HD2 LYS A 45 -2.078 -5.300 1.353 0.50 0.00 H new ATOM 0 HD3 LYS A 45 -2.166 -7.036 1.577 0.50 0.00 H new ATOM 0 HE2 LYS A 45 -3.279 -6.041 3.973 0.50 0.00 H new ATOM 0 HE3 LYS A 45 -3.875 -4.918 2.767 0.50 0.00 H new ATOM 0 HZ1 LYS A 45 -5.281 -6.913 2.879 0.50 0.00 H new ATOM 0 HZ2 LYS A 45 -4.524 -6.815 1.362 0.50 0.00 H new ATOM 0 HZ3 LYS A 45 -3.946 -7.902 2.531 0.50 0.00 H new ATOM 899 N PRO A 59 -2.309 -11.469 26.420 0.50 0.00 N ATOM 900 CA PRO A 59 -3.349 -12.494 26.159 0.50 0.00 C ATOM 901 C PRO A 59 -4.735 -11.845 26.091 0.50 0.00 C ATOM 902 O PRO A 59 -5.373 -11.619 27.101 0.50 0.00 O ATOM 903 CB PRO A 59 -3.246 -13.426 27.363 0.50 0.00 C ATOM 904 CG PRO A 59 -2.660 -12.590 28.455 0.50 0.00 C ATOM 905 CD PRO A 59 -1.806 -11.534 27.799 0.50 0.00 C ATOM 0 HA PRO A 59 -3.209 -13.013 25.211 0.50 0.00 H new ATOM 0 HB2 PRO A 59 -4.225 -13.814 27.646 0.50 0.00 H new ATOM 0 HB3 PRO A 59 -2.614 -14.286 27.143 0.50 0.00 H new ATOM 0 HG2 PRO A 59 -3.447 -12.131 29.053 0.50 0.00 H new ATOM 0 HG3 PRO A 59 -2.063 -13.203 29.130 0.50 0.00 H new ATOM 0 HD2 PRO A 59 -1.903 -10.573 28.304 0.50 0.00 H new ATOM 0 HD3 PRO A 59 -0.750 -11.803 27.825 0.50 0.00 H new ATOM 913 N ASP A 60 -5.204 -11.546 24.909 0.50 0.00 N ATOM 914 CA ASP A 60 -6.549 -10.913 24.776 0.50 0.00 C ATOM 915 C ASP A 60 -7.399 -11.682 23.765 0.50 0.00 C ATOM 916 O ASP A 60 -7.782 -11.146 22.747 0.50 0.00 O ATOM 917 CB ASP A 60 -6.279 -9.498 24.262 0.50 0.00 C ATOM 918 CG ASP A 60 -5.418 -8.738 25.273 0.50 0.00 C ATOM 919 OD1 ASP A 60 -4.211 -8.915 25.245 0.50 0.00 O ATOM 920 OD2 ASP A 60 -5.980 -7.993 26.059 0.50 0.00 O ATOM 0 H ASP A 60 -4.714 -11.713 24.030 0.50 0.00 H new ATOM 0 HA ASP A 60 -7.092 -10.911 25.721 0.50 0.00 H new ATOM 0 HB2 ASP A 60 -5.772 -9.541 23.298 0.50 0.00 H new ATOM 0 HB3 ASP A 60 -7.221 -8.972 24.104 0.50 0.00 H new ATOM 925 N ALA A 61 -7.697 -12.931 24.040 0.50 0.00 N ATOM 926 CA ALA A 61 -8.529 -13.742 23.091 0.50 0.00 C ATOM 927 C ALA A 61 -9.702 -12.907 22.557 0.50 0.00 C ATOM 928 O ALA A 61 -10.708 -12.762 23.221 0.50 0.00 O ATOM 929 CB ALA A 61 -9.045 -14.916 23.925 0.50 0.00 C ATOM 0 H ALA A 61 -7.400 -13.425 24.882 0.50 0.00 H new ATOM 0 HA ALA A 61 -7.958 -14.073 22.224 0.50 0.00 H new ATOM 0 HB1 ALA A 61 -9.665 -15.560 23.302 0.50 0.00 H new ATOM 0 HB2 ALA A 61 -8.201 -15.488 24.310 0.50 0.00 H new ATOM 0 HB3 ALA A 61 -9.637 -14.538 24.758 0.50 0.00 H new ATOM 935 N PRO A 62 -9.521 -12.365 21.378 0.50 0.00 N ATOM 936 CA PRO A 62 -10.557 -11.519 20.763 0.50 0.00 C ATOM 937 C PRO A 62 -11.489 -12.362 19.887 0.50 0.00 C ATOM 938 O PRO A 62 -11.097 -12.863 18.851 0.50 0.00 O ATOM 939 CB PRO A 62 -9.735 -10.551 19.917 0.50 0.00 C ATOM 940 CG PRO A 62 -8.445 -11.264 19.611 0.50 0.00 C ATOM 941 CD PRO A 62 -8.351 -12.479 20.506 0.50 0.00 C ATOM 0 HA PRO A 62 -11.203 -11.019 21.485 0.50 0.00 H new ATOM 0 HB2 PRO A 62 -10.263 -10.288 19.000 0.50 0.00 H new ATOM 0 HB3 PRO A 62 -9.550 -9.622 20.456 0.50 0.00 H new ATOM 0 HG2 PRO A 62 -8.415 -11.561 18.563 0.50 0.00 H new ATOM 0 HG3 PRO A 62 -7.596 -10.602 19.779 0.50 0.00 H new ATOM 0 HD2 PRO A 62 -8.372 -13.403 19.928 0.50 0.00 H new ATOM 0 HD3 PRO A 62 -7.424 -12.482 21.079 0.50 0.00 H new ATOM 949 N GLU A 63 -12.720 -12.522 20.296 0.50 0.00 N ATOM 950 CA GLU A 63 -13.678 -13.333 19.487 0.50 0.00 C ATOM 951 C GLU A 63 -13.900 -12.679 18.120 0.50 0.00 C ATOM 952 O GLU A 63 -14.138 -11.491 18.022 0.50 0.00 O ATOM 953 CB GLU A 63 -14.979 -13.345 20.295 0.50 0.00 C ATOM 954 CG GLU A 63 -15.286 -14.773 20.753 0.50 0.00 C ATOM 955 CD GLU A 63 -16.801 -14.986 20.783 0.50 0.00 C ATOM 956 OE1 GLU A 63 -17.433 -14.481 21.697 0.50 0.00 O ATOM 957 OE2 GLU A 63 -17.304 -15.649 19.891 0.50 0.00 O ATOM 0 H GLU A 63 -13.104 -12.127 21.154 0.50 0.00 H new ATOM 0 HA GLU A 63 -13.308 -14.341 19.302 0.50 0.00 H new ATOM 0 HB2 GLU A 63 -14.888 -12.687 21.159 0.50 0.00 H new ATOM 0 HB3 GLU A 63 -15.800 -12.963 19.688 0.50 0.00 H new ATOM 0 HG2 GLU A 63 -14.821 -15.491 20.077 0.50 0.00 H new ATOM 0 HG3 GLU A 63 -14.864 -14.947 21.743 0.50 0.00 H new ATOM 964 N ASP A 64 -13.822 -13.447 17.066 0.50 0.00 N ATOM 965 CA ASP A 64 -14.028 -12.872 15.704 0.50 0.00 C ATOM 966 C ASP A 64 -14.225 -13.995 14.681 0.50 0.00 C ATOM 967 O ASP A 64 -14.356 -15.151 15.033 0.50 0.00 O ATOM 968 CB ASP A 64 -12.747 -12.092 15.405 0.50 0.00 C ATOM 969 CG ASP A 64 -12.996 -10.597 15.612 0.50 0.00 C ATOM 970 OD1 ASP A 64 -13.967 -10.097 15.068 0.50 0.00 O ATOM 971 OD2 ASP A 64 -12.212 -9.977 16.311 0.50 0.00 O ATOM 0 H ASP A 64 -13.625 -14.447 17.089 0.50 0.00 H new ATOM 0 HA ASP A 64 -14.912 -12.237 15.653 0.50 0.00 H new ATOM 0 HB2 ASP A 64 -11.942 -12.431 16.058 0.50 0.00 H new ATOM 0 HB3 ASP A 64 -12.426 -12.279 14.380 0.50 0.00 H new ATOM 976 N THR A 65 -14.246 -13.662 13.419 0.50 0.00 N ATOM 977 CA THR A 65 -14.433 -14.708 12.371 0.50 0.00 C ATOM 978 C THR A 65 -13.079 -15.115 11.783 0.50 0.00 C ATOM 979 O THR A 65 -12.839 -16.273 11.501 0.50 0.00 O ATOM 980 CB THR A 65 -15.305 -14.046 11.303 0.50 0.00 C ATOM 981 OG1 THR A 65 -14.800 -12.749 11.019 0.50 0.00 O ATOM 982 CG2 THR A 65 -16.743 -13.937 11.812 0.50 0.00 C ATOM 0 H THR A 65 -14.142 -12.710 13.067 0.50 0.00 H new ATOM 0 HA THR A 65 -14.892 -15.614 12.768 0.50 0.00 H new ATOM 0 HB THR A 65 -15.289 -14.649 10.395 0.50 0.00 H new ATOM 0 HG1 THR A 65 -15.357 -12.324 10.333 0.50 0.00 H new ATOM 0 HG21 THR A 65 -17.364 -13.465 11.050 0.50 0.00 H new ATOM 0 HG22 THR A 65 -17.129 -14.933 12.029 0.50 0.00 H new ATOM 0 HG23 THR A 65 -16.763 -13.335 12.720 0.50 0.00 H new ATOM 990 N GLY A 66 -12.195 -14.172 11.597 0.50 0.00 N ATOM 991 CA GLY A 66 -10.857 -14.502 11.028 0.50 0.00 C ATOM 992 C GLY A 66 -11.017 -14.962 9.578 0.50 0.00 C ATOM 993 O GLY A 66 -10.744 -16.099 9.245 0.50 0.00 O ATOM 0 H GLY A 66 -12.342 -13.186 11.815 0.50 0.00 H new ATOM 0 HA2 GLY A 66 -10.206 -13.629 11.074 0.50 0.00 H new ATOM 0 HA3 GLY A 66 -10.382 -15.285 11.619 0.50 0.00 H new ATOM 997 N ASP A 67 -11.456 -14.087 8.713 0.50 0.00 N ATOM 998 CA ASP A 67 -11.634 -14.472 7.283 0.50 0.00 C ATOM 999 C ASP A 67 -11.319 -13.282 6.372 0.50 0.00 C ATOM 1000 O ASP A 67 -11.880 -13.141 5.303 0.50 0.00 O ATOM 1001 CB ASP A 67 -13.108 -14.871 7.159 0.50 0.00 C ATOM 1002 CG ASP A 67 -13.211 -16.278 6.566 0.50 0.00 C ATOM 1003 OD1 ASP A 67 -12.651 -17.189 7.153 0.50 0.00 O ATOM 1004 OD2 ASP A 67 -13.848 -16.420 5.535 0.50 0.00 O ATOM 0 H ASP A 67 -11.699 -13.122 8.935 0.50 0.00 H new ATOM 0 HA ASP A 67 -10.968 -15.282 6.987 0.50 0.00 H new ATOM 0 HB2 ASP A 67 -13.587 -14.842 8.138 0.50 0.00 H new ATOM 0 HB3 ASP A 67 -13.636 -14.159 6.525 0.50 0.00 H new ATOM 1303 N ARG A 86 -3.364 1.001 -8.744 0.50 0.00 N ATOM 1304 CA ARG A 86 -2.220 1.467 -9.581 0.50 0.00 C ATOM 1305 C ARG A 86 -1.089 1.982 -8.686 0.50 0.00 C ATOM 1306 O ARG A 86 -1.183 3.044 -8.102 0.50 0.00 O ATOM 1307 CB ARG A 86 -2.790 2.602 -10.437 0.50 0.00 C ATOM 1308 CG ARG A 86 -2.578 2.284 -11.919 0.50 0.00 C ATOM 1309 CD ARG A 86 -2.374 3.586 -12.696 0.50 0.00 C ATOM 1310 NE ARG A 86 -2.587 3.219 -14.124 0.50 0.00 N ATOM 1311 CZ ARG A 86 -1.683 2.527 -14.763 0.50 0.00 C ATOM 1312 NH1 ARG A 86 -0.439 2.921 -14.762 0.50 0.00 N ATOM 1313 NH2 ARG A 86 -2.024 1.442 -15.402 0.50 0.00 N ATOM 0 HA ARG A 86 -1.802 0.668 -10.193 0.50 0.00 H new ATOM 0 HB2 ARG A 86 -3.853 2.728 -10.230 0.50 0.00 H new ATOM 0 HB3 ARG A 86 -2.302 3.543 -10.183 0.50 0.00 H new ATOM 0 HG2 ARG A 86 -1.711 1.635 -12.042 0.50 0.00 H new ATOM 0 HG3 ARG A 86 -3.439 1.744 -12.313 0.50 0.00 H new ATOM 0 HD2 ARG A 86 -3.080 4.352 -12.376 0.50 0.00 H new ATOM 0 HD3 ARG A 86 -1.374 3.988 -12.537 0.50 0.00 H new ATOM 0 HE ARG A 86 -3.440 3.509 -14.603 0.50 0.00 H new ATOM 0 HH11 ARG A 86 -0.173 3.769 -14.262 0.50 0.00 H new ATOM 0 HH12 ARG A 86 0.268 2.381 -15.261 0.50 0.00 H new ATOM 0 HH21 ARG A 86 -2.997 1.135 -15.402 0.50 0.00 H new ATOM 0 HH22 ARG A 86 -1.318 0.901 -15.901 0.50 0.00 H new ATOM 1327 N VAL A 87 -0.021 1.237 -8.575 0.50 0.00 N ATOM 1328 CA VAL A 87 1.117 1.682 -7.718 0.50 0.00 C ATOM 1329 C VAL A 87 2.399 1.774 -8.551 0.50 0.00 C ATOM 1330 O VAL A 87 2.890 0.786 -9.062 0.50 0.00 O ATOM 1331 CB VAL A 87 1.249 0.604 -6.641 0.50 0.00 C ATOM 1332 CG1 VAL A 87 2.391 0.966 -5.690 0.50 0.00 C ATOM 1333 CG2 VAL A 87 -0.058 0.509 -5.850 0.50 0.00 C ATOM 0 H VAL A 87 0.113 0.339 -9.041 0.50 0.00 H new ATOM 0 HA VAL A 87 0.949 2.668 -7.285 0.50 0.00 H new ATOM 0 HB VAL A 87 1.460 -0.355 -7.115 0.50 0.00 H new ATOM 0 HG11 VAL A 87 2.484 0.197 -4.923 0.50 0.00 H new ATOM 0 HG12 VAL A 87 3.323 1.034 -6.250 0.50 0.00 H new ATOM 0 HG13 VAL A 87 2.181 1.926 -5.218 0.50 0.00 H new ATOM 0 HG21 VAL A 87 0.036 -0.259 -5.083 0.50 0.00 H new ATOM 0 HG22 VAL A 87 -0.269 1.469 -5.379 0.50 0.00 H new ATOM 0 HG23 VAL A 87 -0.874 0.250 -6.525 0.50 0.00 H new ATOM 1343 N GLU A 88 2.943 2.953 -8.691 0.50 0.00 N ATOM 1344 CA GLU A 88 4.194 3.112 -9.490 0.50 0.00 C ATOM 1345 C GLU A 88 5.185 4.013 -8.748 0.50 0.00 C ATOM 1346 O GLU A 88 4.802 4.860 -7.965 0.50 0.00 O ATOM 1347 CB GLU A 88 3.747 3.768 -10.797 0.50 0.00 C ATOM 1348 CG GLU A 88 4.545 3.180 -11.963 0.50 0.00 C ATOM 1349 CD GLU A 88 3.929 3.639 -13.286 0.50 0.00 C ATOM 1350 OE1 GLU A 88 3.477 4.770 -13.345 0.50 0.00 O ATOM 1351 OE2 GLU A 88 3.919 2.850 -14.216 0.50 0.00 O ATOM 0 H GLU A 88 2.575 3.814 -8.286 0.50 0.00 H new ATOM 0 HA GLU A 88 4.698 2.161 -9.662 0.50 0.00 H new ATOM 0 HB2 GLU A 88 2.681 3.603 -10.953 0.50 0.00 H new ATOM 0 HB3 GLU A 88 3.899 4.846 -10.746 0.50 0.00 H new ATOM 0 HG2 GLU A 88 5.585 3.500 -11.904 0.50 0.00 H new ATOM 0 HG3 GLU A 88 4.543 2.091 -11.907 0.50 0.00 H new ATOM 1358 N THR A 89 6.457 3.835 -8.989 0.50 0.00 N ATOM 1359 CA THR A 89 7.476 4.680 -8.299 0.50 0.00 C ATOM 1360 C THR A 89 7.879 5.856 -9.192 0.50 0.00 C ATOM 1361 O THR A 89 8.299 5.676 -10.319 0.50 0.00 O ATOM 1362 CB THR A 89 8.668 3.751 -8.065 0.50 0.00 C ATOM 1363 OG1 THR A 89 8.220 2.560 -7.433 0.50 0.00 O ATOM 1364 CG2 THR A 89 9.694 4.450 -7.173 0.50 0.00 C ATOM 0 H THR A 89 6.835 3.141 -9.634 0.50 0.00 H new ATOM 0 HA THR A 89 7.100 5.103 -7.367 0.50 0.00 H new ATOM 0 HB THR A 89 9.130 3.504 -9.021 0.50 0.00 H new ATOM 0 HG1 THR A 89 8.982 1.962 -7.284 0.50 0.00 H new ATOM 0 HG21 THR A 89 10.543 3.787 -7.007 0.50 0.00 H new ATOM 0 HG22 THR A 89 10.036 5.363 -7.659 0.50 0.00 H new ATOM 0 HG23 THR A 89 9.235 4.698 -6.216 0.50 0.00 H new ATOM 1372 N THR A 90 7.751 7.059 -8.699 0.50 0.00 N ATOM 1373 CA THR A 90 8.124 8.248 -9.519 0.50 0.00 C ATOM 1374 C THR A 90 9.639 8.284 -9.748 0.50 0.00 C ATOM 1375 O THR A 90 10.361 7.395 -9.342 0.50 0.00 O ATOM 1376 CB THR A 90 7.666 9.467 -8.707 0.50 0.00 C ATOM 1377 OG1 THR A 90 7.251 9.055 -7.409 0.50 0.00 O ATOM 1378 CG2 THR A 90 6.500 10.148 -9.424 0.50 0.00 C ATOM 0 H THR A 90 7.404 7.270 -7.763 0.50 0.00 H new ATOM 0 HA THR A 90 7.658 8.226 -10.504 0.50 0.00 H new ATOM 0 HB THR A 90 8.496 10.168 -8.612 0.50 0.00 H new ATOM 0 HG1 THR A 90 7.955 8.510 -6.998 0.50 0.00 H new ATOM 0 HG21 THR A 90 6.174 11.014 -8.848 0.50 0.00 H new ATOM 0 HG22 THR A 90 6.821 10.471 -10.414 0.50 0.00 H new ATOM 0 HG23 THR A 90 5.673 9.445 -9.522 0.50 0.00 H new ATOM 1386 N LYS A 91 10.119 9.302 -10.411 0.50 0.00 N ATOM 1387 CA LYS A 91 11.585 9.401 -10.694 0.50 0.00 C ATOM 1388 C LYS A 91 12.407 9.416 -9.399 0.50 0.00 C ATOM 1389 O LYS A 91 13.459 8.811 -9.323 0.50 0.00 O ATOM 1390 CB LYS A 91 11.758 10.723 -11.450 0.50 0.00 C ATOM 1391 CG LYS A 91 12.257 10.441 -12.870 0.50 0.00 C ATOM 1392 CD LYS A 91 13.694 9.919 -12.812 0.50 0.00 C ATOM 1393 CE LYS A 91 14.663 11.098 -12.695 0.50 0.00 C ATOM 1394 NZ LYS A 91 15.157 11.329 -14.080 0.50 0.00 N ATOM 0 H LYS A 91 9.558 10.074 -10.771 0.50 0.00 H new ATOM 0 HA LYS A 91 11.937 8.544 -11.268 0.50 0.00 H new ATOM 0 HB2 LYS A 91 10.810 11.259 -11.487 0.50 0.00 H new ATOM 0 HB3 LYS A 91 12.467 11.364 -10.925 0.50 0.00 H new ATOM 0 HG2 LYS A 91 11.612 9.708 -13.355 0.50 0.00 H new ATOM 0 HG3 LYS A 91 12.213 11.350 -13.470 0.50 0.00 H new ATOM 0 HD2 LYS A 91 13.815 9.250 -11.960 0.50 0.00 H new ATOM 0 HD3 LYS A 91 13.917 9.339 -13.707 0.50 0.00 H new ATOM 0 HE2 LYS A 91 14.162 11.983 -12.302 0.50 0.00 H new ATOM 0 HE3 LYS A 91 15.484 10.868 -12.016 0.50 0.00 H new ATOM 0 HZ1 LYS A 91 15.828 12.124 -14.081 0.50 0.00 H new ATOM 0 HZ2 LYS A 91 15.635 10.472 -14.426 0.50 0.00 H new ATOM 0 HZ3 LYS A 91 14.354 11.552 -14.702 0.50 0.00 H new ATOM 1408 N ASP A 92 11.955 10.109 -8.386 0.50 0.00 N ATOM 1409 CA ASP A 92 12.741 10.159 -7.116 0.50 0.00 C ATOM 1410 C ASP A 92 11.825 10.031 -5.897 0.50 0.00 C ATOM 1411 O ASP A 92 12.016 10.694 -4.896 0.50 0.00 O ATOM 1412 CB ASP A 92 13.422 11.528 -7.129 0.50 0.00 C ATOM 1413 CG ASP A 92 14.820 11.409 -6.519 0.50 0.00 C ATOM 1414 OD1 ASP A 92 15.749 11.145 -7.263 0.50 0.00 O ATOM 1415 OD2 ASP A 92 14.936 11.585 -5.317 0.50 0.00 O ATOM 0 H ASP A 92 11.083 10.638 -8.382 0.50 0.00 H new ATOM 0 HA ASP A 92 13.456 9.339 -7.051 0.50 0.00 H new ATOM 0 HB2 ASP A 92 13.490 11.902 -8.150 0.50 0.00 H new ATOM 0 HB3 ASP A 92 12.828 12.247 -6.565 0.50 0.00 H new ATOM 1420 N ARG A 93 10.839 9.177 -5.967 0.50 0.00 N ATOM 1421 CA ARG A 93 9.913 8.995 -4.808 0.50 0.00 C ATOM 1422 C ARG A 93 8.875 7.920 -5.138 0.50 0.00 C ATOM 1423 O ARG A 93 8.746 7.497 -6.270 0.50 0.00 O ATOM 1424 CB ARG A 93 9.233 10.354 -4.589 0.50 0.00 C ATOM 1425 CG ARG A 93 8.583 10.835 -5.890 0.50 0.00 C ATOM 1426 CD ARG A 93 8.804 12.343 -6.046 0.50 0.00 C ATOM 1427 NE ARG A 93 9.240 12.528 -7.459 0.50 0.00 N ATOM 1428 CZ ARG A 93 9.255 13.722 -7.986 0.50 0.00 C ATOM 1429 NH1 ARG A 93 9.719 14.731 -7.301 0.50 0.00 N ATOM 1430 NH2 ARG A 93 8.805 13.907 -9.197 0.50 0.00 N ATOM 0 H ARG A 93 10.633 8.595 -6.779 0.50 0.00 H new ATOM 0 HA ARG A 93 10.443 8.673 -3.912 0.50 0.00 H new ATOM 0 HB2 ARG A 93 8.479 10.270 -3.806 0.50 0.00 H new ATOM 0 HB3 ARG A 93 9.966 11.085 -4.248 0.50 0.00 H new ATOM 0 HG2 ARG A 93 9.011 10.304 -6.740 0.50 0.00 H new ATOM 0 HG3 ARG A 93 7.516 10.612 -5.880 0.50 0.00 H new ATOM 0 HD2 ARG A 93 7.889 12.899 -5.840 0.50 0.00 H new ATOM 0 HD3 ARG A 93 9.561 12.705 -5.350 0.50 0.00 H new ATOM 0 HE ARG A 93 9.527 11.722 -8.014 0.50 0.00 H new ATOM 0 HH11 ARG A 93 10.070 14.586 -6.354 0.50 0.00 H new ATOM 0 HH12 ARG A 93 9.731 15.664 -7.712 0.50 0.00 H new ATOM 0 HH21 ARG A 93 8.441 13.118 -9.732 0.50 0.00 H new ATOM 0 HH22 ARG A 93 8.817 14.840 -9.608 0.50 0.00 H new ATOM 1444 N SER A 94 8.142 7.470 -4.158 0.50 0.00 N ATOM 1445 CA SER A 94 7.119 6.418 -4.411 0.50 0.00 C ATOM 1446 C SER A 94 5.711 7.016 -4.340 0.50 0.00 C ATOM 1447 O SER A 94 5.435 7.885 -3.537 0.50 0.00 O ATOM 1448 CB SER A 94 7.331 5.399 -3.296 0.50 0.00 C ATOM 1449 OG SER A 94 6.904 5.955 -2.062 0.50 0.00 O ATOM 0 H SER A 94 8.208 7.786 -3.191 0.50 0.00 H new ATOM 0 HA SER A 94 7.217 5.970 -5.400 0.50 0.00 H new ATOM 0 HB2 SER A 94 6.772 4.488 -3.510 0.50 0.00 H new ATOM 0 HB3 SER A 94 8.383 5.121 -3.238 0.50 0.00 H new ATOM 0 HG SER A 94 6.462 5.263 -1.527 0.50 0.00 H new ATOM 1455 N ILE A 95 4.819 6.557 -5.178 0.50 0.00 N ATOM 1456 CA ILE A 95 3.428 7.098 -5.159 0.50 0.00 C ATOM 1457 C ILE A 95 2.420 5.948 -5.058 0.50 0.00 C ATOM 1458 O ILE A 95 2.443 5.020 -5.844 0.50 0.00 O ATOM 1459 CB ILE A 95 3.281 7.864 -6.492 0.50 0.00 C ATOM 1460 CG1 ILE A 95 2.979 9.336 -6.204 0.50 0.00 C ATOM 1461 CG2 ILE A 95 2.137 7.285 -7.334 0.50 0.00 C ATOM 1462 CD1 ILE A 95 4.253 10.039 -5.733 0.50 0.00 C ATOM 0 H ILE A 95 4.993 5.832 -5.874 0.50 0.00 H new ATOM 0 HA ILE A 95 3.239 7.748 -4.305 0.50 0.00 H new ATOM 0 HB ILE A 95 4.215 7.766 -7.045 0.50 0.00 H new ATOM 0 HG12 ILE A 95 2.595 9.821 -7.101 0.50 0.00 H new ATOM 0 HG13 ILE A 95 2.204 9.416 -5.441 0.50 0.00 H new ATOM 0 HG21 ILE A 95 2.054 7.842 -8.267 0.50 0.00 H new ATOM 0 HG22 ILE A 95 2.341 6.237 -7.554 0.50 0.00 H new ATOM 0 HG23 ILE A 95 1.201 7.364 -6.780 0.50 0.00 H new ATOM 0 HD11 ILE A 95 4.036 11.087 -5.528 0.50 0.00 H new ATOM 0 HD12 ILE A 95 4.618 9.560 -4.824 0.50 0.00 H new ATOM 0 HD13 ILE A 95 5.014 9.971 -6.510 0.50 0.00 H new ATOM 1474 N PHE A 96 1.525 6.011 -4.110 0.50 0.00 N ATOM 1475 CA PHE A 96 0.507 4.930 -3.983 0.50 0.00 C ATOM 1476 C PHE A 96 -0.878 5.502 -4.288 0.50 0.00 C ATOM 1477 O PHE A 96 -1.538 6.060 -3.435 0.50 0.00 O ATOM 1478 CB PHE A 96 0.595 4.453 -2.528 0.50 0.00 C ATOM 1479 CG PHE A 96 -0.311 3.255 -2.301 0.50 0.00 C ATOM 1480 CD1 PHE A 96 -1.024 2.675 -3.365 0.50 0.00 C ATOM 1481 CD2 PHE A 96 -0.434 2.720 -1.012 0.50 0.00 C ATOM 1482 CE1 PHE A 96 -1.853 1.571 -3.136 0.50 0.00 C ATOM 1483 CE2 PHE A 96 -1.264 1.614 -0.786 0.50 0.00 C ATOM 1484 CZ PHE A 96 -1.974 1.041 -1.848 0.50 0.00 C ATOM 0 H PHE A 96 1.455 6.760 -3.421 0.50 0.00 H new ATOM 0 HA PHE A 96 0.680 4.107 -4.676 0.50 0.00 H new ATOM 0 HB2 PHE A 96 1.625 4.187 -2.289 0.50 0.00 H new ATOM 0 HB3 PHE A 96 0.310 5.263 -1.856 0.50 0.00 H new ATOM 0 HD1 PHE A 96 -0.932 3.082 -4.361 0.50 0.00 H new ATOM 0 HD2 PHE A 96 0.112 3.161 -0.191 0.50 0.00 H new ATOM 0 HE1 PHE A 96 -2.400 1.128 -3.955 0.50 0.00 H new ATOM 0 HE2 PHE A 96 -1.356 1.203 0.208 0.50 0.00 H new ATOM 0 HZ PHE A 96 -2.615 0.190 -1.672 0.50 0.00 H new ATOM 1494 N THR A 97 -1.322 5.362 -5.504 0.50 0.00 N ATOM 1495 CA THR A 97 -2.664 5.895 -5.875 0.50 0.00 C ATOM 1496 C THR A 97 -3.557 4.758 -6.373 0.50 0.00 C ATOM 1497 O THR A 97 -3.384 4.250 -7.464 0.50 0.00 O ATOM 1498 CB THR A 97 -2.406 6.926 -6.985 0.50 0.00 C ATOM 1499 OG1 THR A 97 -3.630 7.223 -7.642 0.50 0.00 O ATOM 1500 CG2 THR A 97 -1.402 6.377 -8.004 0.50 0.00 C ATOM 0 H THR A 97 -0.814 4.901 -6.259 0.50 0.00 H new ATOM 0 HA THR A 97 -3.177 6.351 -5.028 0.50 0.00 H new ATOM 0 HB THR A 97 -1.993 7.830 -6.538 0.50 0.00 H new ATOM 0 HG1 THR A 97 -4.336 7.353 -6.975 0.50 0.00 H new ATOM 0 HG21 THR A 97 -1.231 7.120 -8.783 0.50 0.00 H new ATOM 0 HG22 THR A 97 -0.460 6.153 -7.503 0.50 0.00 H new ATOM 0 HG23 THR A 97 -1.800 5.466 -8.452 0.50 0.00 H new ATOM 1508 N VAL A 98 -4.509 4.352 -5.576 0.50 0.00 N ATOM 1509 CA VAL A 98 -5.412 3.241 -5.997 0.50 0.00 C ATOM 1510 C VAL A 98 -6.866 3.717 -6.024 0.50 0.00 C ATOM 1511 O VAL A 98 -7.308 4.447 -5.159 0.50 0.00 O ATOM 1512 CB VAL A 98 -5.220 2.143 -4.942 0.50 0.00 C ATOM 1513 CG1 VAL A 98 -5.537 2.695 -3.549 0.50 0.00 C ATOM 1514 CG2 VAL A 98 -6.156 0.967 -5.246 0.50 0.00 C ATOM 0 H VAL A 98 -4.700 4.741 -4.653 0.50 0.00 H new ATOM 0 HA VAL A 98 -5.180 2.883 -7.000 0.50 0.00 H new ATOM 0 HB VAL A 98 -4.185 1.804 -4.968 0.50 0.00 H new ATOM 0 HG11 VAL A 98 -5.398 1.909 -2.806 0.50 0.00 H new ATOM 0 HG12 VAL A 98 -4.869 3.527 -3.327 0.50 0.00 H new ATOM 0 HG13 VAL A 98 -6.570 3.042 -3.522 0.50 0.00 H new ATOM 0 HG21 VAL A 98 -6.018 0.189 -4.496 0.50 0.00 H new ATOM 0 HG22 VAL A 98 -7.190 1.311 -5.226 0.50 0.00 H new ATOM 0 HG23 VAL A 98 -5.926 0.565 -6.233 0.50 0.00 H new ATOM 1524 N GLU A 99 -7.612 3.304 -7.013 0.50 0.00 N ATOM 1525 CA GLU A 99 -9.039 3.725 -7.099 0.50 0.00 C ATOM 1526 C GLU A 99 -9.952 2.552 -6.743 0.50 0.00 C ATOM 1527 O GLU A 99 -10.946 2.300 -7.395 0.50 0.00 O ATOM 1528 CB GLU A 99 -9.250 4.158 -8.552 0.50 0.00 C ATOM 1529 CG GLU A 99 -8.913 2.998 -9.496 0.50 0.00 C ATOM 1530 CD GLU A 99 -7.545 3.239 -10.137 0.50 0.00 C ATOM 1531 OE1 GLU A 99 -6.668 3.733 -9.447 0.50 0.00 O ATOM 1532 OE2 GLU A 99 -7.398 2.927 -11.307 0.50 0.00 O ATOM 0 H GLU A 99 -7.294 2.693 -7.765 0.50 0.00 H new ATOM 0 HA GLU A 99 -9.273 4.533 -6.406 0.50 0.00 H new ATOM 0 HB2 GLU A 99 -10.283 4.471 -8.701 0.50 0.00 H new ATOM 0 HB3 GLU A 99 -8.620 5.018 -8.779 0.50 0.00 H new ATOM 0 HG2 GLU A 99 -8.907 2.057 -8.945 0.50 0.00 H new ATOM 0 HG3 GLU A 99 -9.677 2.910 -10.268 0.50 0.00 H new ATOM 1539 N GLY A 100 -9.615 1.835 -5.708 0.50 0.00 N ATOM 1540 CA GLY A 100 -10.450 0.674 -5.294 0.50 0.00 C ATOM 1541 C GLY A 100 -9.926 0.114 -3.970 0.50 0.00 C ATOM 1542 O GLY A 100 -10.077 -1.057 -3.681 0.50 0.00 O ATOM 0 H GLY A 100 -8.793 2.004 -5.128 0.50 0.00 H new ATOM 0 HA2 GLY A 100 -11.490 0.981 -5.185 0.50 0.00 H new ATOM 0 HA3 GLY A 100 -10.425 -0.098 -6.063 0.50 0.00 H new ATOM 1620 N GLU A 106 -7.490 -2.201 3.286 0.50 0.00 N ATOM 1621 CA GLU A 106 -7.247 -1.601 4.635 0.50 0.00 C ATOM 1622 C GLU A 106 -6.348 -2.514 5.476 0.50 0.00 C ATOM 1623 O GLU A 106 -6.173 -3.678 5.175 0.50 0.00 O ATOM 1624 CB GLU A 106 -8.632 -1.486 5.271 0.50 0.00 C ATOM 1625 CG GLU A 106 -8.703 -0.220 6.127 0.50 0.00 C ATOM 1626 CD GLU A 106 -8.221 -0.533 7.544 0.50 0.00 C ATOM 1627 OE1 GLU A 106 -8.651 -1.538 8.087 0.50 0.00 O ATOM 1628 OE2 GLU A 106 -7.431 0.237 8.064 0.50 0.00 O ATOM 0 HA GLU A 106 -6.743 -0.637 4.569 0.50 0.00 H new ATOM 0 HB2 GLU A 106 -9.397 -1.456 4.496 0.50 0.00 H new ATOM 0 HB3 GLU A 106 -8.835 -2.364 5.885 0.50 0.00 H new ATOM 0 HG2 GLU A 106 -8.087 0.564 5.687 0.50 0.00 H new ATOM 0 HG3 GLU A 106 -9.726 0.156 6.154 0.50 0.00 H new ATOM 1635 N GLY A 107 -5.777 -1.990 6.528 0.50 0.00 N ATOM 1636 CA GLY A 107 -4.889 -2.819 7.391 0.50 0.00 C ATOM 1637 C GLY A 107 -3.557 -2.096 7.594 0.50 0.00 C ATOM 1638 O GLY A 107 -3.514 -0.970 8.050 0.50 0.00 O ATOM 0 H GLY A 107 -5.888 -1.021 6.827 0.50 0.00 H new ATOM 0 HA2 GLY A 107 -5.367 -3.001 8.354 0.50 0.00 H new ATOM 0 HA3 GLY A 107 -4.720 -3.792 6.929 0.50 0.00 H new ATOM 1642 N VAL A 108 -2.469 -2.734 7.256 0.50 0.00 N ATOM 1643 CA VAL A 108 -1.135 -2.087 7.425 0.50 0.00 C ATOM 1644 C VAL A 108 -0.219 -2.458 6.255 0.50 0.00 C ATOM 1645 O VAL A 108 -0.389 -3.481 5.621 0.50 0.00 O ATOM 1646 CB VAL A 108 -0.588 -2.641 8.743 0.50 0.00 C ATOM 1647 CG1 VAL A 108 0.871 -2.212 8.924 0.50 0.00 C ATOM 1648 CG2 VAL A 108 -1.421 -2.094 9.902 0.50 0.00 C ATOM 0 H VAL A 108 -2.446 -3.678 6.869 0.50 0.00 H new ATOM 0 HA VAL A 108 -1.199 -0.999 7.442 0.50 0.00 H new ATOM 0 HB VAL A 108 -0.643 -3.729 8.726 0.50 0.00 H new ATOM 0 HG11 VAL A 108 1.253 -2.610 9.864 0.50 0.00 H new ATOM 0 HG12 VAL A 108 1.469 -2.596 8.097 0.50 0.00 H new ATOM 0 HG13 VAL A 108 0.931 -1.124 8.940 0.50 0.00 H new ATOM 0 HG21 VAL A 108 -1.036 -2.485 10.844 0.50 0.00 H new ATOM 0 HG22 VAL A 108 -1.362 -1.006 9.910 0.50 0.00 H new ATOM 0 HG23 VAL A 108 -2.460 -2.400 9.780 0.50 0.00 H new ATOM 1658 N TYR A 109 0.750 -1.632 5.967 0.50 0.00 N ATOM 1659 CA TYR A 109 1.679 -1.933 4.839 0.50 0.00 C ATOM 1660 C TYR A 109 3.121 -1.598 5.224 0.50 0.00 C ATOM 1661 O TYR A 109 3.371 -0.824 6.125 0.50 0.00 O ATOM 1662 CB TYR A 109 1.222 -1.035 3.688 0.50 0.00 C ATOM 1663 CG TYR A 109 -0.038 -1.597 3.078 0.50 0.00 C ATOM 1664 CD1 TYR A 109 -1.278 -1.354 3.681 0.50 0.00 C ATOM 1665 CD2 TYR A 109 0.033 -2.360 1.907 0.50 0.00 C ATOM 1666 CE1 TYR A 109 -2.446 -1.875 3.113 0.50 0.00 C ATOM 1667 CE2 TYR A 109 -1.136 -2.882 1.339 0.50 0.00 C ATOM 1668 CZ TYR A 109 -2.375 -2.639 1.942 0.50 0.00 C ATOM 1669 OH TYR A 109 -3.527 -3.153 1.382 0.50 0.00 O ATOM 0 H TYR A 109 0.939 -0.761 6.464 0.50 0.00 H new ATOM 0 HA TYR A 109 1.657 -2.989 4.571 0.50 0.00 H new ATOM 0 HB2 TYR A 109 1.042 -0.023 4.052 0.50 0.00 H new ATOM 0 HB3 TYR A 109 2.005 -0.968 2.933 0.50 0.00 H new ATOM 0 HD1 TYR A 109 -1.333 -0.765 4.584 0.50 0.00 H new ATOM 0 HD2 TYR A 109 0.989 -2.546 1.441 0.50 0.00 H new ATOM 0 HE1 TYR A 109 -3.403 -1.688 3.578 0.50 0.00 H new ATOM 0 HE2 TYR A 109 -1.081 -3.472 0.436 0.50 0.00 H new ATOM 0 HH TYR A 109 -3.301 -3.657 0.573 0.50 0.00 H new ATOM 1679 N THR A 110 4.068 -2.169 4.533 0.50 0.00 N ATOM 1680 CA THR A 110 5.498 -1.880 4.832 0.50 0.00 C ATOM 1681 C THR A 110 6.250 -1.649 3.522 0.50 0.00 C ATOM 1682 O THR A 110 6.585 -2.579 2.816 0.50 0.00 O ATOM 1683 CB THR A 110 6.023 -3.126 5.545 0.50 0.00 C ATOM 1684 OG1 THR A 110 5.061 -3.569 6.493 0.50 0.00 O ATOM 1685 CG2 THR A 110 7.331 -2.786 6.261 0.50 0.00 C ATOM 0 H THR A 110 3.912 -2.827 3.770 0.50 0.00 H new ATOM 0 HA THR A 110 5.627 -0.989 5.446 0.50 0.00 H new ATOM 0 HB THR A 110 6.203 -3.917 4.817 0.50 0.00 H new ATOM 0 HG1 THR A 110 5.396 -4.369 6.950 0.50 0.00 H new ATOM 0 HG21 THR A 110 7.708 -3.673 6.771 0.50 0.00 H new ATOM 0 HG22 THR A 110 8.067 -2.446 5.532 0.50 0.00 H new ATOM 0 HG23 THR A 110 7.152 -1.997 6.991 0.50 0.00 H new ATOM 1693 N VAL A 111 6.506 -0.416 3.186 0.50 0.00 N ATOM 1694 CA VAL A 111 7.223 -0.125 1.912 0.50 0.00 C ATOM 1695 C VAL A 111 8.738 -0.238 2.118 0.50 0.00 C ATOM 1696 O VAL A 111 9.271 0.197 3.119 0.50 0.00 O ATOM 1697 CB VAL A 111 6.799 1.302 1.544 0.50 0.00 C ATOM 1698 CG1 VAL A 111 7.515 2.319 2.426 0.50 0.00 C ATOM 1699 CG2 VAL A 111 7.143 1.580 0.083 0.50 0.00 C ATOM 0 H VAL A 111 6.250 0.403 3.738 0.50 0.00 H new ATOM 0 HA VAL A 111 6.978 -0.828 1.116 0.50 0.00 H new ATOM 0 HB VAL A 111 5.724 1.392 1.698 0.50 0.00 H new ATOM 0 HG11 VAL A 111 7.201 3.325 2.149 0.50 0.00 H new ATOM 0 HG12 VAL A 111 7.264 2.135 3.471 0.50 0.00 H new ATOM 0 HG13 VAL A 111 8.592 2.225 2.289 0.50 0.00 H new ATOM 0 HG21 VAL A 111 6.840 2.595 -0.175 0.50 0.00 H new ATOM 0 HG22 VAL A 111 8.218 1.473 -0.064 0.50 0.00 H new ATOM 0 HG23 VAL A 111 6.617 0.871 -0.556 0.50 0.00 H new ATOM 1709 N THR A 112 9.430 -0.836 1.184 0.50 0.00 N ATOM 1710 CA THR A 112 10.906 -0.993 1.336 0.50 0.00 C ATOM 1711 C THR A 112 11.650 -0.294 0.190 0.50 0.00 C ATOM 1712 O THR A 112 11.375 -0.522 -0.972 0.50 0.00 O ATOM 1713 CB THR A 112 11.142 -2.509 1.298 0.50 0.00 C ATOM 1714 OG1 THR A 112 12.471 -2.790 1.714 0.50 0.00 O ATOM 1715 CG2 THR A 112 10.927 -3.042 -0.121 0.50 0.00 C ATOM 0 H THR A 112 9.038 -1.221 0.325 0.50 0.00 H new ATOM 0 HA THR A 112 11.276 -0.543 2.257 0.50 0.00 H new ATOM 0 HB THR A 112 10.435 -2.996 1.970 0.50 0.00 H new ATOM 0 HG1 THR A 112 12.623 -3.758 1.692 0.50 0.00 H new ATOM 0 HG21 THR A 112 11.097 -4.119 -0.135 0.50 0.00 H new ATOM 0 HG22 THR A 112 9.905 -2.832 -0.438 0.50 0.00 H new ATOM 0 HG23 THR A 112 11.625 -2.555 -0.802 0.50 0.00 H new ATOM 1723 N VAL A 113 12.597 0.547 0.511 0.50 0.00 N ATOM 1724 CA VAL A 113 13.368 1.251 -0.557 0.50 0.00 C ATOM 1725 C VAL A 113 14.745 0.594 -0.712 0.50 0.00 C ATOM 1726 O VAL A 113 15.412 0.301 0.261 0.50 0.00 O ATOM 1727 CB VAL A 113 13.501 2.705 -0.079 0.50 0.00 C ATOM 1728 CG1 VAL A 113 12.116 3.270 0.247 0.50 0.00 C ATOM 1729 CG2 VAL A 113 14.379 2.768 1.175 0.50 0.00 C ATOM 0 H VAL A 113 12.871 0.777 1.466 0.50 0.00 H new ATOM 0 HA VAL A 113 12.876 1.202 -1.529 0.50 0.00 H new ATOM 0 HB VAL A 113 13.961 3.295 -0.872 0.50 0.00 H new ATOM 0 HG11 VAL A 113 12.214 4.301 0.586 0.50 0.00 H new ATOM 0 HG12 VAL A 113 11.491 3.239 -0.646 0.50 0.00 H new ATOM 0 HG13 VAL A 113 11.655 2.672 1.033 0.50 0.00 H new ATOM 0 HG21 VAL A 113 14.467 3.803 1.506 0.50 0.00 H new ATOM 0 HG22 VAL A 113 13.926 2.171 1.967 0.50 0.00 H new ATOM 0 HG23 VAL A 113 15.369 2.375 0.946 0.50 0.00 H new ATOM 1739 N LYS A 114 15.170 0.347 -1.923 0.50 0.00 N ATOM 1740 CA LYS A 114 16.498 -0.306 -2.124 0.50 0.00 C ATOM 1741 C LYS A 114 17.276 0.370 -3.258 0.50 0.00 C ATOM 1742 O LYS A 114 16.714 1.039 -4.102 0.50 0.00 O ATOM 1743 CB LYS A 114 16.171 -1.754 -2.489 0.50 0.00 C ATOM 1744 CG LYS A 114 17.443 -2.601 -2.417 0.50 0.00 C ATOM 1745 CD LYS A 114 17.161 -3.997 -2.977 0.50 0.00 C ATOM 1746 CE LYS A 114 16.798 -4.946 -1.831 0.50 0.00 C ATOM 1747 NZ LYS A 114 15.316 -5.080 -1.899 0.50 0.00 N ATOM 0 H LYS A 114 14.659 0.568 -2.778 0.50 0.00 H new ATOM 0 HA LYS A 114 17.125 -0.234 -1.235 0.50 0.00 H new ATOM 0 HB2 LYS A 114 15.419 -2.151 -1.807 0.50 0.00 H new ATOM 0 HB3 LYS A 114 15.748 -1.800 -3.492 0.50 0.00 H new ATOM 0 HG2 LYS A 114 18.242 -2.125 -2.985 0.50 0.00 H new ATOM 0 HG3 LYS A 114 17.786 -2.674 -1.385 0.50 0.00 H new ATOM 0 HD2 LYS A 114 16.345 -3.953 -3.698 0.50 0.00 H new ATOM 0 HD3 LYS A 114 18.036 -4.370 -3.509 0.50 0.00 H new ATOM 0 HE2 LYS A 114 17.288 -5.913 -1.948 0.50 0.00 H new ATOM 0 HE3 LYS A 114 17.115 -4.543 -0.869 0.50 0.00 H new ATOM 0 HZ1 LYS A 114 14.941 -5.269 -0.948 0.50 0.00 H new ATOM 0 HZ2 LYS A 114 14.904 -4.198 -2.265 0.50 0.00 H new ATOM 0 HZ3 LYS A 114 15.067 -5.867 -2.532 0.50 0.00 H new ATOM 1761 N ASN A 115 18.571 0.189 -3.278 0.50 0.00 N ATOM 1762 CA ASN A 115 19.407 0.805 -4.350 0.50 0.00 C ATOM 1763 C ASN A 115 20.807 0.174 -4.336 0.50 0.00 C ATOM 1764 O ASN A 115 21.100 -0.650 -3.492 0.50 0.00 O ATOM 1765 CB ASN A 115 19.474 2.293 -3.999 0.50 0.00 C ATOM 1766 CG ASN A 115 18.794 3.114 -5.096 0.50 0.00 C ATOM 1767 OD1 ASN A 115 18.725 2.693 -6.234 0.50 0.00 O ATOM 1768 ND2 ASN A 115 18.287 4.279 -4.800 0.50 0.00 N ATOM 0 H ASN A 115 19.088 -0.363 -2.593 0.50 0.00 H new ATOM 0 HA ASN A 115 18.995 0.650 -5.347 0.50 0.00 H new ATOM 0 HB2 ASN A 115 18.985 2.473 -3.041 0.50 0.00 H new ATOM 0 HB3 ASN A 115 20.513 2.604 -3.890 0.50 0.00 H new ATOM 0 HD21 ASN A 115 17.833 4.836 -5.524 0.50 0.00 H new ATOM 0 HD22 ASN A 115 18.345 4.633 -3.845 0.50 0.00 H new ATOM 1775 N PRO A 116 21.628 0.573 -5.276 0.50 0.00 N ATOM 1776 CA PRO A 116 23.003 0.016 -5.366 0.50 0.00 C ATOM 1777 C PRO A 116 23.889 0.504 -4.211 0.50 0.00 C ATOM 1778 O PRO A 116 25.008 0.056 -4.056 0.50 0.00 O ATOM 1779 CB PRO A 116 23.514 0.538 -6.706 0.50 0.00 C ATOM 1780 CG PRO A 116 22.714 1.771 -6.972 0.50 0.00 C ATOM 1781 CD PRO A 116 21.368 1.565 -6.328 0.50 0.00 C ATOM 0 HA PRO A 116 23.017 -1.072 -5.297 0.50 0.00 H new ATOM 0 HB2 PRO A 116 24.580 0.761 -6.662 0.50 0.00 H new ATOM 0 HB3 PRO A 116 23.375 -0.200 -7.496 0.50 0.00 H new ATOM 0 HG2 PRO A 116 23.210 2.650 -6.559 0.50 0.00 H new ATOM 0 HG3 PRO A 116 22.608 1.939 -8.044 0.50 0.00 H new ATOM 0 HD2 PRO A 116 20.977 2.494 -5.913 0.50 0.00 H new ATOM 0 HD3 PRO A 116 20.633 1.202 -7.046 0.50 0.00 H new ATOM 1789 N VAL A 117 23.409 1.410 -3.397 0.50 0.00 N ATOM 1790 CA VAL A 117 24.250 1.899 -2.263 0.50 0.00 C ATOM 1791 C VAL A 117 23.763 1.305 -0.937 0.50 0.00 C ATOM 1792 O VAL A 117 24.551 1.033 -0.051 0.50 0.00 O ATOM 1793 CB VAL A 117 24.109 3.421 -2.268 0.50 0.00 C ATOM 1794 CG1 VAL A 117 24.987 4.016 -1.165 0.50 0.00 C ATOM 1795 CG2 VAL A 117 24.565 3.965 -3.622 0.50 0.00 C ATOM 0 H VAL A 117 22.481 1.828 -3.467 0.50 0.00 H new ATOM 0 HA VAL A 117 25.292 1.598 -2.373 0.50 0.00 H new ATOM 0 HB VAL A 117 23.068 3.692 -2.094 0.50 0.00 H new ATOM 0 HG11 VAL A 117 24.888 5.101 -1.167 0.50 0.00 H new ATOM 0 HG12 VAL A 117 24.672 3.624 -0.198 0.50 0.00 H new ATOM 0 HG13 VAL A 117 26.028 3.746 -1.343 0.50 0.00 H new ATOM 0 HG21 VAL A 117 24.466 5.050 -3.630 0.50 0.00 H new ATOM 0 HG22 VAL A 117 25.607 3.694 -3.791 0.50 0.00 H new ATOM 0 HG23 VAL A 117 23.947 3.539 -4.412 0.50 0.00 H new ATOM 1805 N GLY A 118 22.478 1.093 -0.784 0.50 0.00 N ATOM 1806 CA GLY A 118 21.978 0.511 0.496 0.50 0.00 C ATOM 1807 C GLY A 118 20.493 0.170 0.372 0.50 0.00 C ATOM 1808 O GLY A 118 20.006 -0.163 -0.691 0.50 0.00 O ATOM 0 H GLY A 118 21.763 1.296 -1.483 0.50 0.00 H new ATOM 0 HA2 GLY A 118 22.546 -0.386 0.743 0.50 0.00 H new ATOM 0 HA3 GLY A 118 22.130 1.219 1.311 0.50 0.00 H new ATOM 1812 N GLU A 119 19.769 0.256 1.457 0.50 0.00 N ATOM 1813 CA GLU A 119 18.311 -0.057 1.419 0.50 0.00 C ATOM 1814 C GLU A 119 17.650 0.380 2.731 0.50 0.00 C ATOM 1815 O GLU A 119 18.272 0.391 3.775 0.50 0.00 O ATOM 1816 CB GLU A 119 18.230 -1.576 1.249 0.50 0.00 C ATOM 1817 CG GLU A 119 18.910 -2.268 2.433 0.50 0.00 C ATOM 1818 CD GLU A 119 19.584 -3.555 1.955 0.50 0.00 C ATOM 1819 OE1 GLU A 119 19.019 -4.213 1.097 0.50 0.00 O ATOM 1820 OE2 GLU A 119 20.654 -3.861 2.454 0.50 0.00 O ATOM 0 H GLU A 119 20.127 0.531 2.372 0.50 0.00 H new ATOM 0 HA GLU A 119 17.795 0.464 0.613 0.50 0.00 H new ATOM 0 HB2 GLU A 119 17.188 -1.889 1.183 0.50 0.00 H new ATOM 0 HB3 GLU A 119 18.711 -1.873 0.317 0.50 0.00 H new ATOM 0 HG2 GLU A 119 19.649 -1.603 2.881 0.50 0.00 H new ATOM 0 HG3 GLU A 119 18.175 -2.495 3.206 0.50 0.00 H new ATOM 1827 N ASP A 120 16.396 0.741 2.684 0.50 0.00 N ATOM 1828 CA ASP A 120 15.697 1.179 3.928 0.50 0.00 C ATOM 1829 C ASP A 120 14.272 0.618 3.959 0.50 0.00 C ATOM 1830 O ASP A 120 13.816 0.007 3.012 0.50 0.00 O ATOM 1831 CB ASP A 120 15.676 2.707 3.854 0.50 0.00 C ATOM 1832 CG ASP A 120 16.222 3.290 5.160 0.50 0.00 C ATOM 1833 OD1 ASP A 120 17.432 3.321 5.312 0.50 0.00 O ATOM 1834 OD2 ASP A 120 15.421 3.695 5.986 0.50 0.00 O ATOM 0 H ASP A 120 15.825 0.752 1.839 0.50 0.00 H new ATOM 0 HA ASP A 120 16.195 0.824 4.830 0.50 0.00 H new ATOM 0 HB2 ASP A 120 16.277 3.049 3.012 0.50 0.00 H new ATOM 0 HB3 ASP A 120 14.659 3.059 3.684 0.50 0.00 H new ATOM 1839 N GLN A 121 13.569 0.817 5.043 0.50 0.00 N ATOM 1840 CA GLN A 121 12.176 0.289 5.134 0.50 0.00 C ATOM 1841 C GLN A 121 11.296 1.232 5.961 0.50 0.00 C ATOM 1842 O GLN A 121 11.779 2.112 6.646 0.50 0.00 O ATOM 1843 CB GLN A 121 12.311 -1.069 5.828 0.50 0.00 C ATOM 1844 CG GLN A 121 11.692 -2.158 4.948 0.50 0.00 C ATOM 1845 CD GLN A 121 11.916 -3.527 5.594 0.50 0.00 C ATOM 1846 OE1 GLN A 121 11.776 -3.677 6.791 0.50 0.00 O ATOM 1847 NE2 GLN A 121 12.262 -4.538 4.845 0.50 0.00 N ATOM 0 H GLN A 121 13.898 1.321 5.867 0.50 0.00 H new ATOM 0 HA GLN A 121 11.706 0.203 4.154 0.50 0.00 H new ATOM 0 HB2 GLN A 121 13.362 -1.291 6.014 0.50 0.00 H new ATOM 0 HB3 GLN A 121 11.814 -1.044 6.798 0.50 0.00 H new ATOM 0 HG2 GLN A 121 10.625 -1.975 4.821 0.50 0.00 H new ATOM 0 HG3 GLN A 121 12.140 -2.135 3.955 0.50 0.00 H new ATOM 0 HE21 GLN A 121 12.379 -4.411 3.840 0.50 0.00 H new ATOM 0 HE22 GLN A 121 12.415 -5.455 5.265 0.50 0.00 H new ATOM 1856 N VAL A 122 10.005 1.049 5.894 0.50 0.00 N ATOM 1857 CA VAL A 122 9.071 1.924 6.666 0.50 0.00 C ATOM 1858 C VAL A 122 7.664 1.313 6.637 0.50 0.00 C ATOM 1859 O VAL A 122 7.365 0.463 5.821 0.50 0.00 O ATOM 1860 CB VAL A 122 9.107 3.302 5.966 0.50 0.00 C ATOM 1861 CG1 VAL A 122 9.430 3.139 4.478 0.50 0.00 C ATOM 1862 CG2 VAL A 122 7.750 4.008 6.104 0.50 0.00 C ATOM 0 H VAL A 122 9.553 0.326 5.334 0.50 0.00 H new ATOM 0 HA VAL A 122 9.356 2.022 7.714 0.50 0.00 H new ATOM 0 HB VAL A 122 9.882 3.901 6.444 0.50 0.00 H new ATOM 0 HG11 VAL A 122 9.451 4.119 4.001 0.50 0.00 H new ATOM 0 HG12 VAL A 122 10.403 2.660 4.367 0.50 0.00 H new ATOM 0 HG13 VAL A 122 8.666 2.522 4.005 0.50 0.00 H new ATOM 0 HG21 VAL A 122 7.792 4.977 5.606 0.50 0.00 H new ATOM 0 HG22 VAL A 122 6.973 3.397 5.644 0.50 0.00 H new ATOM 0 HG23 VAL A 122 7.521 4.152 7.160 0.50 0.00 H new ATOM 1872 N ASN A 123 6.804 1.734 7.525 0.50 0.00 N ATOM 1873 CA ASN A 123 5.421 1.170 7.550 0.50 0.00 C ATOM 1874 C ASN A 123 4.418 2.178 6.987 0.50 0.00 C ATOM 1875 O ASN A 123 4.519 3.366 7.215 0.50 0.00 O ATOM 1876 CB ASN A 123 5.122 0.883 9.022 0.50 0.00 C ATOM 1877 CG ASN A 123 5.305 2.158 9.850 0.50 0.00 C ATOM 1878 OD1 ASN A 123 6.394 2.452 10.301 0.50 0.00 O ATOM 1879 ND2 ASN A 123 4.278 2.932 10.070 0.50 0.00 N ATOM 0 H ASN A 123 6.997 2.442 8.233 0.50 0.00 H new ATOM 0 HA ASN A 123 5.342 0.271 6.938 0.50 0.00 H new ATOM 0 HB2 ASN A 123 4.102 0.513 9.129 0.50 0.00 H new ATOM 0 HB3 ASN A 123 5.786 0.101 9.391 0.50 0.00 H new ATOM 0 HD21 ASN A 123 4.390 3.783 10.620 0.50 0.00 H new ATOM 0 HD22 ASN A 123 3.363 2.686 9.692 0.50 0.00 H new ATOM 1886 N LEU A 124 3.450 1.700 6.257 0.50 0.00 N ATOM 1887 CA LEU A 124 2.422 2.609 5.668 0.50 0.00 C ATOM 1888 C LEU A 124 1.044 2.284 6.256 0.50 0.00 C ATOM 1889 O LEU A 124 0.570 1.168 6.169 0.50 0.00 O ATOM 1890 CB LEU A 124 2.470 2.318 4.162 0.50 0.00 C ATOM 1891 CG LEU A 124 1.264 2.952 3.448 0.50 0.00 C ATOM 1892 CD1 LEU A 124 1.744 4.053 2.501 0.50 0.00 C ATOM 1893 CD2 LEU A 124 0.533 1.880 2.637 0.50 0.00 C ATOM 0 H LEU A 124 3.324 0.711 6.040 0.50 0.00 H new ATOM 0 HA LEU A 124 2.609 3.662 5.880 0.50 0.00 H new ATOM 0 HB2 LEU A 124 3.396 2.709 3.740 0.50 0.00 H new ATOM 0 HB3 LEU A 124 2.473 1.241 3.994 0.50 0.00 H new ATOM 0 HG LEU A 124 0.591 3.379 4.192 0.50 0.00 H new ATOM 0 HD11 LEU A 124 0.886 4.499 1.997 0.50 0.00 H new ATOM 0 HD12 LEU A 124 2.269 4.819 3.071 0.50 0.00 H new ATOM 0 HD13 LEU A 124 2.419 3.626 1.759 0.50 0.00 H new ATOM 0 HD21 LEU A 124 -0.322 2.327 2.130 0.50 0.00 H new ATOM 0 HD22 LEU A 124 1.213 1.457 1.897 0.50 0.00 H new ATOM 0 HD23 LEU A 124 0.187 1.091 3.305 0.50 0.00 H new ATOM 1905 N THR A 125 0.402 3.251 6.854 0.50 0.00 N ATOM 1906 CA THR A 125 -0.944 3.002 7.448 0.50 0.00 C ATOM 1907 C THR A 125 -2.038 3.270 6.411 0.50 0.00 C ATOM 1908 O THR A 125 -2.040 4.288 5.747 0.50 0.00 O ATOM 1909 CB THR A 125 -1.052 3.991 8.611 0.50 0.00 C ATOM 1910 OG1 THR A 125 0.068 3.832 9.471 0.50 0.00 O ATOM 1911 CG2 THR A 125 -2.339 3.725 9.392 0.50 0.00 C ATOM 0 H THR A 125 0.751 4.204 6.957 0.50 0.00 H new ATOM 0 HA THR A 125 -1.066 1.970 7.777 0.50 0.00 H new ATOM 0 HB THR A 125 -1.070 5.009 8.222 0.50 0.00 H new ATOM 0 HG1 THR A 125 0.001 4.466 10.215 0.50 0.00 H new ATOM 0 HG21 THR A 125 -2.415 4.430 10.220 0.50 0.00 H new ATOM 0 HG22 THR A 125 -3.197 3.848 8.731 0.50 0.00 H new ATOM 0 HG23 THR A 125 -2.324 2.707 9.782 0.50 0.00 H new ATOM 1919 N VAL A 126 -2.968 2.364 6.269 0.50 0.00 N ATOM 1920 CA VAL A 126 -4.064 2.564 5.275 0.50 0.00 C ATOM 1921 C VAL A 126 -5.418 2.633 5.988 0.50 0.00 C ATOM 1922 O VAL A 126 -5.560 2.184 7.109 0.50 0.00 O ATOM 1923 CB VAL A 126 -3.995 1.346 4.350 0.50 0.00 C ATOM 1924 CG1 VAL A 126 -4.172 0.063 5.167 0.50 0.00 C ATOM 1925 CG2 VAL A 126 -5.106 1.442 3.300 0.50 0.00 C ATOM 0 H VAL A 126 -3.017 1.493 6.798 0.50 0.00 H new ATOM 0 HA VAL A 126 -3.954 3.496 4.720 0.50 0.00 H new ATOM 0 HB VAL A 126 -3.024 1.324 3.855 0.50 0.00 H new ATOM 0 HG11 VAL A 126 -4.122 -0.801 4.504 0.50 0.00 H new ATOM 0 HG12 VAL A 126 -3.380 -0.006 5.913 0.50 0.00 H new ATOM 0 HG13 VAL A 126 -5.140 0.081 5.667 0.50 0.00 H new ATOM 0 HG21 VAL A 126 -5.059 0.576 2.640 0.50 0.00 H new ATOM 0 HG22 VAL A 126 -6.076 1.467 3.797 0.50 0.00 H new ATOM 0 HG23 VAL A 126 -4.975 2.352 2.714 0.50 0.00 H new ATOM 1935 N LYS A 127 -6.416 3.194 5.351 0.50 0.00 N ATOM 1936 CA LYS A 127 -7.753 3.286 6.006 0.50 0.00 C ATOM 1937 C LYS A 127 -8.832 3.600 4.968 0.50 0.00 C ATOM 1938 O LYS A 127 -8.816 4.639 4.337 0.50 0.00 O ATOM 1939 CB LYS A 127 -7.624 4.435 7.008 0.50 0.00 C ATOM 1940 CG LYS A 127 -8.312 4.050 8.320 0.50 0.00 C ATOM 1941 CD LYS A 127 -9.830 4.095 8.135 0.50 0.00 C ATOM 1942 CE LYS A 127 -10.483 3.022 9.009 0.50 0.00 C ATOM 1943 NZ LYS A 127 -10.899 3.737 10.248 0.50 0.00 N ATOM 0 H LYS A 127 -6.362 3.589 4.412 0.50 0.00 H new ATOM 0 HA LYS A 127 -8.040 2.352 6.489 0.50 0.00 H new ATOM 0 HB2 LYS A 127 -6.572 4.657 7.188 0.50 0.00 H new ATOM 0 HB3 LYS A 127 -8.076 5.339 6.600 0.50 0.00 H new ATOM 0 HG2 LYS A 127 -8.002 3.051 8.625 0.50 0.00 H new ATOM 0 HG3 LYS A 127 -8.012 4.733 9.114 0.50 0.00 H new ATOM 0 HD2 LYS A 127 -10.211 5.080 8.405 0.50 0.00 H new ATOM 0 HD3 LYS A 127 -10.084 3.931 7.088 0.50 0.00 H new ATOM 0 HE2 LYS A 127 -11.339 2.571 8.507 0.50 0.00 H new ATOM 0 HE3 LYS A 127 -9.784 2.216 9.234 0.50 0.00 H new ATOM 0 HZ1 LYS A 127 -11.356 3.067 10.899 0.50 0.00 H new ATOM 0 HZ2 LYS A 127 -10.063 4.150 10.708 0.50 0.00 H new ATOM 0 HZ3 LYS A 127 -11.569 4.494 10.004 0.50 0.00 H new ATOM 1957 N VAL A 128 -9.771 2.711 4.791 0.50 0.00 N ATOM 1958 CA VAL A 128 -10.855 2.959 3.799 0.50 0.00 C ATOM 1959 C VAL A 128 -12.077 3.560 4.497 0.50 0.00 C ATOM 1960 O VAL A 128 -12.665 2.954 5.371 0.50 0.00 O ATOM 1961 CB VAL A 128 -11.199 1.586 3.217 0.50 0.00 C ATOM 1962 CG1 VAL A 128 -12.280 1.748 2.149 0.50 0.00 C ATOM 1963 CG2 VAL A 128 -9.955 0.959 2.580 0.50 0.00 C ATOM 0 H VAL A 128 -9.834 1.824 5.290 0.50 0.00 H new ATOM 0 HA VAL A 128 -10.546 3.660 3.024 0.50 0.00 H new ATOM 0 HB VAL A 128 -11.558 0.939 4.017 0.50 0.00 H new ATOM 0 HG11 VAL A 128 -12.528 0.772 1.732 0.50 0.00 H new ATOM 0 HG12 VAL A 128 -13.171 2.188 2.597 0.50 0.00 H new ATOM 0 HG13 VAL A 128 -11.913 2.399 1.356 0.50 0.00 H new ATOM 0 HG21 VAL A 128 -10.210 -0.018 2.169 0.50 0.00 H new ATOM 0 HG22 VAL A 128 -9.590 1.605 1.781 0.50 0.00 H new ATOM 0 HG23 VAL A 128 -9.178 0.843 3.336 0.50 0.00 H new ATOM 1973 N ILE A 129 -12.464 4.743 4.110 0.50 0.00 N ATOM 1974 CA ILE A 129 -13.648 5.387 4.735 0.50 0.00 C ATOM 1975 C ILE A 129 -14.895 5.081 3.901 0.50 0.00 C ATOM 1976 O ILE A 129 -14.801 4.715 2.746 0.50 0.00 O ATOM 1977 CB ILE A 129 -13.328 6.882 4.713 0.50 0.00 C ATOM 1978 CG1 ILE A 129 -12.125 7.163 5.623 0.50 0.00 C ATOM 1979 CG2 ILE A 129 -14.537 7.677 5.204 0.50 0.00 C ATOM 1980 CD1 ILE A 129 -12.441 6.725 7.057 0.50 0.00 C ATOM 0 H ILE A 129 -12.007 5.293 3.383 0.50 0.00 H new ATOM 0 HA ILE A 129 -13.846 5.032 5.746 0.50 0.00 H new ATOM 0 HB ILE A 129 -13.090 7.183 3.693 0.50 0.00 H new ATOM 0 HG12 ILE A 129 -11.248 6.630 5.256 0.50 0.00 H new ATOM 0 HG13 ILE A 129 -11.884 8.226 5.603 0.50 0.00 H new ATOM 0 HG21 ILE A 129 -14.304 8.742 5.186 0.50 0.00 H new ATOM 0 HG22 ILE A 129 -15.390 7.481 4.554 0.50 0.00 H new ATOM 0 HG23 ILE A 129 -14.781 7.376 6.223 0.50 0.00 H new ATOM 0 HD11 ILE A 129 -11.582 6.928 7.697 0.50 0.00 H new ATOM 0 HD12 ILE A 129 -13.306 7.278 7.424 0.50 0.00 H new ATOM 0 HD13 ILE A 129 -12.660 5.657 7.071 0.50 0.00 H new ATOM 1992 N ASP A 130 -16.058 5.224 4.475 0.50 0.00 N ATOM 1993 CA ASP A 130 -17.305 4.937 3.708 0.50 0.00 C ATOM 1994 C ASP A 130 -18.123 6.219 3.529 0.50 0.00 C ATOM 1995 O ASP A 130 -18.215 6.977 4.480 0.50 0.00 O ATOM 1996 CB ASP A 130 -18.071 3.925 4.560 0.50 0.00 C ATOM 1997 CG ASP A 130 -19.218 3.331 3.741 0.50 0.00 C ATOM 1998 OD1 ASP A 130 -19.990 4.101 3.194 0.50 0.00 O ATOM 1999 OD2 ASP A 130 -19.305 2.116 3.673 0.50 0.00 O ATOM 2000 OXT ASP A 130 -18.643 6.419 2.444 0.50 0.00 O ATOM 0 H ASP A 130 -16.200 5.526 5.439 0.50 0.00 H new ATOM 0 HA ASP A 130 -17.096 4.553 2.710 0.50 0.00 H new ATOM 0 HB2 ASP A 130 -17.400 3.133 4.893 0.50 0.00 H new ATOM 0 HB3 ASP A 130 -18.462 4.409 5.455 0.50 0.00 H new