USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 MET CE :methyl -146:sc= 0 (180deg=-0.0898) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -111:sc= -2.98 (180deg=-5.81!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.44! C(o=-3.4!,f=-7.1!) USER MOD Single : A 64 HIS : no HD1:sc= -2.37 X(o=-2.4,f=-2.5) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 68:sc= 1.1 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.426 X(o=-0.43,f=-0.51) USER MOD Single : A 86 THR OG1 : rot 25:sc= 0.168 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00164 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N MET A 9 -11.754 11.540 -10.386 1.00 0.00 N ATOM 84 CA MET A 9 -11.664 11.133 -8.988 1.00 0.00 C ATOM 85 C MET A 9 -10.336 10.438 -8.708 1.00 0.00 C ATOM 86 O MET A 9 -10.037 9.394 -9.290 1.00 0.00 O ATOM 87 CB MET A 9 -12.825 10.204 -8.630 1.00 0.00 C ATOM 88 CG MET A 9 -14.189 10.766 -8.996 1.00 0.00 C ATOM 89 SD MET A 9 -14.921 11.736 -7.663 1.00 0.00 S ATOM 90 CE MET A 9 -14.493 13.397 -8.178 1.00 0.00 C ATOM 0 HA MET A 9 -11.721 12.029 -8.370 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.686 9.250 -9.138 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.800 10.001 -7.559 1.00 0.00 H new ATOM 0 HG2 MET A 9 -14.094 11.390 -9.884 1.00 0.00 H new ATOM 0 HG3 MET A 9 -14.859 9.945 -9.253 1.00 0.00 H new ATOM 0 HE1 MET A 9 -14.306 14.014 -7.299 1.00 0.00 H new ATOM 0 HE2 MET A 9 -13.597 13.366 -8.797 1.00 0.00 H new ATOM 0 HE3 MET A 9 -15.316 13.823 -8.752 1.00 0.00 H new ATOM 100 N ILE A 10 -9.544 11.022 -7.816 1.00 0.00 N ATOM 101 CA ILE A 10 -8.248 10.457 -7.459 1.00 0.00 C ATOM 102 C ILE A 10 -8.405 9.078 -6.828 1.00 0.00 C ATOM 103 O ILE A 10 -7.806 8.104 -7.283 1.00 0.00 O ATOM 104 CB ILE A 10 -7.484 11.372 -6.484 1.00 0.00 C ATOM 105 CG1 ILE A 10 -7.251 12.746 -7.116 1.00 0.00 C ATOM 106 CG2 ILE A 10 -6.162 10.735 -6.086 1.00 0.00 C ATOM 107 CD1 ILE A 10 -6.481 12.690 -8.417 1.00 0.00 C ATOM 0 H ILE A 10 -9.777 11.886 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.677 10.368 -8.383 1.00 0.00 H new ATOM 0 HB ILE A 10 -8.086 11.504 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.215 13.223 -7.294 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.709 13.375 -6.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.634 11.394 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.351 9.778 -5.600 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.552 10.576 -6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.353 13.699 -8.808 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.503 12.242 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.032 12.088 -9.140 1.00 0.00 H new ATOM 119 N ARG A 11 -9.215 9.003 -5.777 1.00 0.00 N ATOM 120 CA ARG A 11 -9.451 7.743 -5.083 1.00 0.00 C ATOM 121 C ARG A 11 -9.633 6.600 -6.077 1.00 0.00 C ATOM 122 O ARG A 11 -8.860 5.642 -6.083 1.00 0.00 O ATOM 123 CB ARG A 11 -10.686 7.854 -4.186 1.00 0.00 C ATOM 124 CG ARG A 11 -10.485 8.758 -2.981 1.00 0.00 C ATOM 125 CD ARG A 11 -11.608 8.596 -1.969 1.00 0.00 C ATOM 126 NE ARG A 11 -12.922 8.593 -2.606 1.00 0.00 N ATOM 127 CZ ARG A 11 -13.534 7.490 -3.023 1.00 0.00 C ATOM 128 NH1 ARG A 11 -12.954 6.308 -2.871 1.00 0.00 N ATOM 129 NH2 ARG A 11 -14.730 7.569 -3.594 1.00 0.00 N ATOM 0 H ARG A 11 -9.719 9.800 -5.388 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.579 7.529 -4.465 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.521 8.231 -4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.964 6.858 -3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.531 8.528 -2.507 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.436 9.797 -3.308 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.469 7.665 -1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.560 9.406 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.396 9.487 -2.738 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.035 6.243 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.426 5.463 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -15.179 8.477 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.199 6.722 -3.914 1.00 0.00 H new ATOM 143 N GLU A 12 -10.659 6.709 -6.916 1.00 0.00 N ATOM 144 CA GLU A 12 -10.941 5.684 -7.913 1.00 0.00 C ATOM 145 C GLU A 12 -9.665 5.259 -8.633 1.00 0.00 C ATOM 146 O GLU A 12 -9.351 4.071 -8.715 1.00 0.00 O ATOM 147 CB GLU A 12 -11.966 6.196 -8.927 1.00 0.00 C ATOM 148 CG GLU A 12 -13.407 6.027 -8.475 1.00 0.00 C ATOM 149 CD GLU A 12 -14.404 6.470 -9.528 1.00 0.00 C ATOM 150 OE1 GLU A 12 -14.156 7.503 -10.184 1.00 0.00 O ATOM 151 OE2 GLU A 12 -15.434 5.783 -9.695 1.00 0.00 O ATOM 0 H GLU A 12 -11.308 7.496 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.353 4.816 -7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.776 7.252 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.826 5.668 -9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.586 4.981 -8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.568 6.602 -7.563 1.00 0.00 H new ATOM 158 N ARG A 13 -8.933 6.238 -9.155 1.00 0.00 N ATOM 159 CA ARG A 13 -7.692 5.967 -9.870 1.00 0.00 C ATOM 160 C ARG A 13 -6.751 5.115 -9.023 1.00 0.00 C ATOM 161 O ARG A 13 -6.071 4.226 -9.537 1.00 0.00 O ATOM 162 CB ARG A 13 -7.003 7.277 -10.255 1.00 0.00 C ATOM 163 CG ARG A 13 -7.710 8.034 -11.367 1.00 0.00 C ATOM 164 CD ARG A 13 -6.857 9.179 -11.892 1.00 0.00 C ATOM 165 NE ARG A 13 -7.391 9.735 -13.132 1.00 0.00 N ATOM 166 CZ ARG A 13 -6.959 10.868 -13.675 1.00 0.00 C ATOM 167 NH1 ARG A 13 -5.992 11.561 -13.090 1.00 0.00 N ATOM 168 NH2 ARG A 13 -7.495 11.309 -14.806 1.00 0.00 N ATOM 0 H ARG A 13 -9.178 7.226 -9.096 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.938 5.414 -10.776 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.940 7.917 -9.375 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.981 7.062 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.944 7.350 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.658 8.425 -10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.800 9.964 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.840 8.825 -12.062 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.136 9.226 -13.607 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.578 11.225 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.662 12.430 -13.509 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.239 10.778 -15.259 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.163 12.179 -15.223 1.00 0.00 H new ATOM 182 N ILE A 14 -6.719 5.392 -7.724 1.00 0.00 N ATOM 183 CA ILE A 14 -5.863 4.650 -6.807 1.00 0.00 C ATOM 184 C ILE A 14 -6.265 3.181 -6.745 1.00 0.00 C ATOM 185 O ILE A 14 -5.535 2.308 -7.214 1.00 0.00 O ATOM 186 CB ILE A 14 -5.912 5.244 -5.386 1.00 0.00 C ATOM 187 CG1 ILE A 14 -5.501 6.717 -5.411 1.00 0.00 C ATOM 188 CG2 ILE A 14 -5.011 4.453 -4.450 1.00 0.00 C ATOM 189 CD1 ILE A 14 -5.595 7.394 -4.062 1.00 0.00 C ATOM 0 H ILE A 14 -7.276 6.124 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.846 4.730 -7.191 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.935 5.178 -5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.477 6.794 -5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.133 7.250 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -5.056 4.885 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.345 3.416 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.985 4.490 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.288 8.436 -4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.623 7.349 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.941 6.886 -3.353 1.00 0.00 H new ATOM 201 N GLU A 15 -7.432 2.916 -6.166 1.00 0.00 N ATOM 202 CA GLU A 15 -7.931 1.551 -6.045 1.00 0.00 C ATOM 203 C GLU A 15 -7.980 0.867 -7.408 1.00 0.00 C ATOM 204 O GLU A 15 -7.419 -0.213 -7.592 1.00 0.00 O ATOM 205 CB GLU A 15 -9.323 1.548 -5.411 1.00 0.00 C ATOM 206 CG GLU A 15 -9.311 1.815 -3.915 1.00 0.00 C ATOM 207 CD GLU A 15 -10.696 1.755 -3.300 1.00 0.00 C ATOM 208 OE1 GLU A 15 -11.403 2.784 -3.329 1.00 0.00 O ATOM 209 OE2 GLU A 15 -11.073 0.679 -2.791 1.00 0.00 O ATOM 0 H GLU A 15 -8.049 3.627 -5.774 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.246 0.996 -5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.938 2.303 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.795 0.583 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.668 1.084 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.877 2.797 -3.729 1.00 0.00 H new ATOM 216 N GLU A 16 -8.655 1.504 -8.360 1.00 0.00 N ATOM 217 CA GLU A 16 -8.778 0.956 -9.705 1.00 0.00 C ATOM 218 C GLU A 16 -7.513 0.202 -10.104 1.00 0.00 C ATOM 219 O GLU A 16 -7.578 -0.862 -10.721 1.00 0.00 O ATOM 220 CB GLU A 16 -9.057 2.074 -10.712 1.00 0.00 C ATOM 221 CG GLU A 16 -10.528 2.438 -10.825 1.00 0.00 C ATOM 222 CD GLU A 16 -10.821 3.317 -12.025 1.00 0.00 C ATOM 223 OE1 GLU A 16 -10.328 4.464 -12.056 1.00 0.00 O ATOM 224 OE2 GLU A 16 -11.543 2.857 -12.934 1.00 0.00 O ATOM 0 H GLU A 16 -9.125 2.399 -8.224 1.00 0.00 H new ATOM 0 HA GLU A 16 -9.614 0.256 -9.709 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.493 2.961 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.691 1.769 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.120 1.525 -10.895 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.842 2.953 -9.917 1.00 0.00 H new ATOM 231 N LYS A 17 -6.362 0.761 -9.747 1.00 0.00 N ATOM 232 CA LYS A 17 -5.080 0.143 -10.066 1.00 0.00 C ATOM 233 C LYS A 17 -4.772 -0.999 -9.103 1.00 0.00 C ATOM 234 O LYS A 17 -4.711 -2.163 -9.503 1.00 0.00 O ATOM 235 CB LYS A 17 -3.961 1.185 -10.011 1.00 0.00 C ATOM 236 CG LYS A 17 -3.934 2.113 -11.214 1.00 0.00 C ATOM 237 CD LYS A 17 -3.112 1.529 -12.351 1.00 0.00 C ATOM 238 CE LYS A 17 -2.952 2.523 -13.490 1.00 0.00 C ATOM 239 NZ LYS A 17 -4.154 2.558 -14.369 1.00 0.00 N ATOM 0 H LYS A 17 -6.290 1.641 -9.236 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.142 -0.263 -11.076 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.075 1.781 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.002 0.672 -9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.953 2.296 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.518 3.077 -10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.129 1.239 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.593 0.624 -12.721 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.772 3.517 -13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.076 2.258 -14.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.005 3.248 -15.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.312 1.615 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.985 2.835 -13.809 1.00 0.00 H new ATOM 253 N LEU A 18 -4.581 -0.661 -7.832 1.00 0.00 N ATOM 254 CA LEU A 18 -4.281 -1.659 -6.812 1.00 0.00 C ATOM 255 C LEU A 18 -5.028 -2.960 -7.086 1.00 0.00 C ATOM 256 O LEU A 18 -4.457 -4.047 -6.992 1.00 0.00 O ATOM 257 CB LEU A 18 -4.652 -1.127 -5.426 1.00 0.00 C ATOM 258 CG LEU A 18 -4.087 0.246 -5.061 1.00 0.00 C ATOM 259 CD1 LEU A 18 -4.658 0.722 -3.734 1.00 0.00 C ATOM 260 CD2 LEU A 18 -2.567 0.199 -5.003 1.00 0.00 C ATOM 0 H LEU A 18 -4.629 0.297 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.211 -1.863 -6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.739 -1.081 -5.355 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.314 -1.847 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.379 0.956 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.245 1.701 -3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.743 0.795 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.396 0.012 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.182 1.185 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.254 -0.524 -4.250 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.175 -0.098 -5.976 1.00 0.00 H new ATOM 272 N ARG A 19 -6.307 -2.842 -7.429 1.00 0.00 N ATOM 273 CA ARG A 19 -7.131 -4.008 -7.718 1.00 0.00 C ATOM 274 C ARG A 19 -6.352 -5.036 -8.534 1.00 0.00 C ATOM 275 O ARG A 19 -6.291 -6.211 -8.174 1.00 0.00 O ATOM 276 CB ARG A 19 -8.394 -3.592 -8.475 1.00 0.00 C ATOM 277 CG ARG A 19 -9.479 -3.017 -7.580 1.00 0.00 C ATOM 278 CD ARG A 19 -10.289 -4.116 -6.911 1.00 0.00 C ATOM 279 NE ARG A 19 -11.221 -4.751 -7.839 1.00 0.00 N ATOM 280 CZ ARG A 19 -11.787 -5.933 -7.618 1.00 0.00 C ATOM 281 NH1 ARG A 19 -11.517 -6.603 -6.507 1.00 0.00 N ATOM 282 NH2 ARG A 19 -12.625 -6.445 -8.510 1.00 0.00 N ATOM 0 H ARG A 19 -6.794 -1.950 -7.513 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.417 -4.463 -6.770 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.128 -2.852 -9.230 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.792 -4.458 -9.004 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.026 -2.383 -6.818 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.141 -2.383 -8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.613 -4.868 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.843 -3.698 -6.070 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.450 -4.261 -8.704 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.873 -6.212 -5.819 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.953 -7.510 -6.340 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -12.835 -5.931 -9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.059 -7.352 -8.340 1.00 0.00 H new ATOM 296 N ALA A 20 -5.758 -4.584 -9.633 1.00 0.00 N ATOM 297 CA ALA A 20 -4.982 -5.464 -10.499 1.00 0.00 C ATOM 298 C ALA A 20 -3.512 -5.474 -10.094 1.00 0.00 C ATOM 299 O ALA A 20 -2.807 -6.461 -10.303 1.00 0.00 O ATOM 300 CB ALA A 20 -5.128 -5.038 -11.952 1.00 0.00 C ATOM 0 H ALA A 20 -5.799 -3.614 -9.945 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.370 -6.477 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.543 -5.704 -12.587 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -6.177 -5.089 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.768 -4.016 -12.069 1.00 0.00 H new ATOM 306 N ALA A 21 -3.055 -4.369 -9.514 1.00 0.00 N ATOM 307 CA ALA A 21 -1.668 -4.251 -9.079 1.00 0.00 C ATOM 308 C ALA A 21 -1.267 -5.432 -8.201 1.00 0.00 C ATOM 309 O ALA A 21 -0.371 -6.201 -8.550 1.00 0.00 O ATOM 310 CB ALA A 21 -1.458 -2.941 -8.335 1.00 0.00 C ATOM 0 H ALA A 21 -3.625 -3.542 -9.334 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.032 -4.258 -9.965 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.418 -2.866 -8.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.696 -2.106 -8.994 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.109 -2.911 -7.461 1.00 0.00 H new ATOM 316 N PHE A 22 -1.934 -5.568 -7.060 1.00 0.00 N ATOM 317 CA PHE A 22 -1.645 -6.654 -6.131 1.00 0.00 C ATOM 318 C PHE A 22 -2.807 -7.642 -6.070 1.00 0.00 C ATOM 319 O PHE A 22 -2.602 -8.852 -5.990 1.00 0.00 O ATOM 320 CB PHE A 22 -1.361 -6.097 -4.735 1.00 0.00 C ATOM 321 CG PHE A 22 -0.297 -5.037 -4.718 1.00 0.00 C ATOM 322 CD1 PHE A 22 1.044 -5.383 -4.697 1.00 0.00 C ATOM 323 CD2 PHE A 22 -0.639 -3.694 -4.721 1.00 0.00 C ATOM 324 CE1 PHE A 22 2.026 -4.409 -4.682 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.338 -2.716 -4.706 1.00 0.00 C ATOM 326 CZ PHE A 22 1.672 -3.074 -4.685 1.00 0.00 C ATOM 0 H PHE A 22 -2.678 -4.940 -6.756 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.762 -7.181 -6.491 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.282 -5.683 -4.323 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.059 -6.915 -4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.326 -6.425 -4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.680 -3.408 -4.735 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.068 -4.692 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.058 -1.673 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.437 -2.311 -4.671 1.00 0.00 H new ATOM 336 N GLN A 23 -4.027 -7.114 -6.108 1.00 0.00 N ATOM 337 CA GLN A 23 -5.221 -7.948 -6.056 1.00 0.00 C ATOM 338 C GLN A 23 -5.417 -8.533 -4.660 1.00 0.00 C ATOM 339 O GLN A 23 -5.565 -9.742 -4.482 1.00 0.00 O ATOM 340 CB GLN A 23 -5.127 -9.076 -7.085 1.00 0.00 C ATOM 341 CG GLN A 23 -4.397 -8.679 -8.358 1.00 0.00 C ATOM 342 CD GLN A 23 -4.655 -9.638 -9.502 1.00 0.00 C ATOM 343 OE1 GLN A 23 -3.771 -10.396 -9.903 1.00 0.00 O ATOM 344 NE2 GLN A 23 -5.870 -9.610 -10.036 1.00 0.00 N ATOM 0 H GLN A 23 -4.214 -6.113 -6.175 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.081 -7.321 -6.292 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -4.616 -9.927 -6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.133 -9.407 -7.341 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -4.707 -7.676 -8.652 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -3.326 -8.636 -8.160 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.572 -8.966 -9.672 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.101 -10.233 -10.810 1.00 0.00 H new ATOM 353 N PRO A 24 -5.417 -7.655 -3.646 1.00 0.00 N ATOM 354 CA PRO A 24 -5.593 -8.061 -2.248 1.00 0.00 C ATOM 355 C PRO A 24 -7.010 -8.545 -1.960 1.00 0.00 C ATOM 356 O PRO A 24 -7.807 -8.746 -2.876 1.00 0.00 O ATOM 357 CB PRO A 24 -5.296 -6.779 -1.466 1.00 0.00 C ATOM 358 CG PRO A 24 -5.597 -5.675 -2.420 1.00 0.00 C ATOM 359 CD PRO A 24 -5.246 -6.199 -3.785 1.00 0.00 C ATOM 0 HA PRO A 24 -4.947 -8.898 -1.982 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.915 -6.709 -0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.257 -6.747 -1.138 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.648 -5.392 -2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.015 -4.785 -2.182 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.901 -5.789 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.225 -5.939 -4.065 1.00 0.00 H new ATOM 367 N VAL A 25 -7.318 -8.730 -0.680 1.00 0.00 N ATOM 368 CA VAL A 25 -8.640 -9.188 -0.270 1.00 0.00 C ATOM 369 C VAL A 25 -9.497 -8.027 0.220 1.00 0.00 C ATOM 370 O VAL A 25 -10.724 -8.061 0.121 1.00 0.00 O ATOM 371 CB VAL A 25 -8.546 -10.249 0.843 1.00 0.00 C ATOM 372 CG1 VAL A 25 -7.945 -9.647 2.104 1.00 0.00 C ATOM 373 CG2 VAL A 25 -9.917 -10.844 1.128 1.00 0.00 C ATOM 0 H VAL A 25 -6.670 -8.570 0.091 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.107 -9.634 -1.148 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.890 -11.051 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.886 -10.411 2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.945 -9.272 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.573 -8.826 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.832 -11.592 1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.597 -10.054 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.305 -11.313 0.224 1.00 0.00 H new ATOM 383 N PHE A 26 -8.843 -6.998 0.749 1.00 0.00 N ATOM 384 CA PHE A 26 -9.545 -5.825 1.256 1.00 0.00 C ATOM 385 C PHE A 26 -9.095 -4.563 0.525 1.00 0.00 C ATOM 386 O PHE A 26 -7.959 -4.475 0.056 1.00 0.00 O ATOM 387 CB PHE A 26 -9.304 -5.669 2.759 1.00 0.00 C ATOM 388 CG PHE A 26 -10.262 -4.723 3.425 1.00 0.00 C ATOM 389 CD1 PHE A 26 -11.521 -5.151 3.814 1.00 0.00 C ATOM 390 CD2 PHE A 26 -9.902 -3.406 3.662 1.00 0.00 C ATOM 391 CE1 PHE A 26 -12.405 -4.283 4.427 1.00 0.00 C ATOM 392 CE2 PHE A 26 -10.781 -2.534 4.276 1.00 0.00 C ATOM 393 CZ PHE A 26 -12.034 -2.972 4.658 1.00 0.00 C ATOM 0 H PHE A 26 -7.828 -6.953 0.838 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.611 -5.967 1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -9.382 -6.647 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.286 -5.316 2.921 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.815 -6.175 3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.924 -3.057 3.364 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.384 -4.629 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -10.488 -1.510 4.457 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.723 -2.291 5.136 1.00 0.00 H new ATOM 403 N LEU A 27 -9.994 -3.590 0.429 1.00 0.00 N ATOM 404 CA LEU A 27 -9.691 -2.332 -0.246 1.00 0.00 C ATOM 405 C LEU A 27 -10.667 -1.239 0.176 1.00 0.00 C ATOM 406 O LEU A 27 -11.882 -1.413 0.092 1.00 0.00 O ATOM 407 CB LEU A 27 -9.742 -2.520 -1.763 1.00 0.00 C ATOM 408 CG LEU A 27 -8.819 -1.618 -2.582 1.00 0.00 C ATOM 409 CD1 LEU A 27 -7.361 -1.933 -2.284 1.00 0.00 C ATOM 410 CD2 LEU A 27 -9.105 -1.771 -4.069 1.00 0.00 C ATOM 0 H LEU A 27 -10.939 -3.647 0.810 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.685 -2.026 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.497 -3.558 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.767 -2.355 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.011 -0.583 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.719 -1.281 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.163 -1.772 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.154 -2.973 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.439 -1.121 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.942 -2.807 -4.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.140 -1.494 -4.271 1.00 0.00 H new ATOM 422 N GLU A 28 -10.126 -0.112 0.628 1.00 0.00 N ATOM 423 CA GLU A 28 -10.950 1.010 1.062 1.00 0.00 C ATOM 424 C GLU A 28 -10.121 2.287 1.162 1.00 0.00 C ATOM 425 O GLU A 28 -9.051 2.300 1.770 1.00 0.00 O ATOM 426 CB GLU A 28 -11.599 0.703 2.413 1.00 0.00 C ATOM 427 CG GLU A 28 -12.823 1.554 2.707 1.00 0.00 C ATOM 428 CD GLU A 28 -12.465 2.959 3.150 1.00 0.00 C ATOM 429 OE1 GLU A 28 -11.598 3.099 4.038 1.00 0.00 O ATOM 430 OE2 GLU A 28 -13.051 3.919 2.607 1.00 0.00 O ATOM 0 H GLU A 28 -9.121 0.048 0.703 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.732 1.162 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.883 -0.349 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.863 0.854 3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.447 1.606 1.815 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.417 1.073 3.484 1.00 0.00 H new ATOM 437 N VAL A 29 -10.624 3.361 0.560 1.00 0.00 N ATOM 438 CA VAL A 29 -9.931 4.644 0.581 1.00 0.00 C ATOM 439 C VAL A 29 -10.708 5.674 1.392 1.00 0.00 C ATOM 440 O VAL A 29 -11.934 5.752 1.307 1.00 0.00 O ATOM 441 CB VAL A 29 -9.713 5.187 -0.844 1.00 0.00 C ATOM 442 CG1 VAL A 29 -8.977 6.517 -0.801 1.00 0.00 C ATOM 443 CG2 VAL A 29 -8.954 4.175 -1.689 1.00 0.00 C ATOM 0 H VAL A 29 -11.509 3.368 0.052 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.962 4.473 1.049 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.687 5.353 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.832 6.885 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.564 7.239 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.007 6.381 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.809 4.575 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.984 3.976 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.525 3.248 -1.747 1.00 0.00 H new ATOM 453 N VAL A 30 -9.986 6.465 2.180 1.00 0.00 N ATOM 454 CA VAL A 30 -10.607 7.493 3.007 1.00 0.00 C ATOM 455 C VAL A 30 -10.114 8.883 2.619 1.00 0.00 C ATOM 456 O VAL A 30 -8.920 9.174 2.700 1.00 0.00 O ATOM 457 CB VAL A 30 -10.323 7.259 4.502 1.00 0.00 C ATOM 458 CG1 VAL A 30 -11.035 8.301 5.351 1.00 0.00 C ATOM 459 CG2 VAL A 30 -10.740 5.853 4.909 1.00 0.00 C ATOM 0 H VAL A 30 -8.971 6.413 2.263 1.00 0.00 H new ATOM 0 HA VAL A 30 -11.682 7.430 2.835 1.00 0.00 H new ATOM 0 HB VAL A 30 -9.251 7.359 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.822 8.119 6.404 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -10.684 9.296 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.110 8.236 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -10.532 5.704 5.969 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -11.807 5.723 4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.180 5.124 4.324 1.00 0.00 H new ATOM 469 N ASP A 31 -11.040 9.737 2.198 1.00 0.00 N ATOM 470 CA ASP A 31 -10.699 11.098 1.799 1.00 0.00 C ATOM 471 C ASP A 31 -11.008 12.086 2.919 1.00 0.00 C ATOM 472 O ASP A 31 -12.019 11.960 3.608 1.00 0.00 O ATOM 473 CB ASP A 31 -11.464 11.487 0.533 1.00 0.00 C ATOM 474 CG ASP A 31 -12.811 10.798 0.435 1.00 0.00 C ATOM 475 OD1 ASP A 31 -13.370 10.435 1.492 1.00 0.00 O ATOM 476 OD2 ASP A 31 -13.307 10.623 -0.697 1.00 0.00 O ATOM 0 H ASP A 31 -12.032 9.512 2.124 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.629 11.133 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.610 12.567 0.518 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.865 11.234 -0.342 1.00 0.00 H new ATOM 481 N GLU A 32 -10.129 13.068 3.094 1.00 0.00 N ATOM 482 CA GLU A 32 -10.308 14.077 4.132 1.00 0.00 C ATOM 483 C GLU A 32 -10.057 15.477 3.580 1.00 0.00 C ATOM 484 O GLU A 32 -8.912 15.873 3.359 1.00 0.00 O ATOM 485 CB GLU A 32 -9.367 13.803 5.307 1.00 0.00 C ATOM 486 CG GLU A 32 -9.523 12.414 5.902 1.00 0.00 C ATOM 487 CD GLU A 32 -10.551 12.369 7.016 1.00 0.00 C ATOM 488 OE1 GLU A 32 -11.761 12.331 6.704 1.00 0.00 O ATOM 489 OE2 GLU A 32 -10.148 12.372 8.197 1.00 0.00 O ATOM 0 H GLU A 32 -9.287 13.186 2.531 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.339 14.024 4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.337 13.933 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.546 14.545 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.813 11.717 5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.560 12.077 6.287 1.00 0.00 H new ATOM 686 N PHE A 46 -4.872 11.974 3.963 1.00 0.00 N ATOM 687 CA PHE A 46 -5.236 10.871 3.082 1.00 0.00 C ATOM 688 C PHE A 46 -4.744 9.541 3.645 1.00 0.00 C ATOM 689 O PHE A 46 -3.635 9.448 4.172 1.00 0.00 O ATOM 690 CB PHE A 46 -4.654 11.093 1.685 1.00 0.00 C ATOM 691 CG PHE A 46 -5.480 10.484 0.588 1.00 0.00 C ATOM 692 CD1 PHE A 46 -6.690 11.050 0.218 1.00 0.00 C ATOM 693 CD2 PHE A 46 -5.047 9.346 -0.073 1.00 0.00 C ATOM 694 CE1 PHE A 46 -7.452 10.491 -0.791 1.00 0.00 C ATOM 695 CE2 PHE A 46 -5.805 8.783 -1.083 1.00 0.00 C ATOM 696 CZ PHE A 46 -7.008 9.357 -1.443 1.00 0.00 C ATOM 0 HA PHE A 46 -6.323 10.837 3.014 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.559 12.164 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.649 10.673 1.648 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -7.041 11.937 0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.106 8.893 0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.394 10.941 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.456 7.895 -1.590 1.00 0.00 H new ATOM 0 HZ PHE A 46 -7.601 8.920 -2.233 1.00 0.00 H new ATOM 706 N LYS A 47 -5.577 8.512 3.530 1.00 0.00 N ATOM 707 CA LYS A 47 -5.229 7.186 4.025 1.00 0.00 C ATOM 708 C LYS A 47 -5.914 6.100 3.200 1.00 0.00 C ATOM 709 O LYS A 47 -7.069 6.246 2.800 1.00 0.00 O ATOM 710 CB LYS A 47 -5.626 7.048 5.497 1.00 0.00 C ATOM 711 CG LYS A 47 -5.582 5.619 6.008 1.00 0.00 C ATOM 712 CD LYS A 47 -6.937 4.941 5.886 1.00 0.00 C ATOM 713 CE LYS A 47 -7.740 5.068 7.171 1.00 0.00 C ATOM 714 NZ LYS A 47 -8.611 6.276 7.164 1.00 0.00 N ATOM 0 H LYS A 47 -6.499 8.572 3.098 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.150 7.063 3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.960 7.662 6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.633 7.442 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.839 5.053 5.446 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.264 5.614 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.495 5.385 5.062 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.798 3.887 5.645 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.355 4.178 7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.060 5.116 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.255 6.965 7.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.604 6.704 6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.583 6.004 7.414 1.00 0.00 H new ATOM 728 N VAL A 48 -5.194 5.011 2.950 1.00 0.00 N ATOM 729 CA VAL A 48 -5.732 3.899 2.176 1.00 0.00 C ATOM 730 C VAL A 48 -5.547 2.577 2.910 1.00 0.00 C ATOM 731 O VAL A 48 -4.458 2.270 3.395 1.00 0.00 O ATOM 732 CB VAL A 48 -5.063 3.804 0.792 1.00 0.00 C ATOM 733 CG1 VAL A 48 -5.440 2.500 0.105 1.00 0.00 C ATOM 734 CG2 VAL A 48 -5.445 4.999 -0.068 1.00 0.00 C ATOM 0 H VAL A 48 -4.236 4.875 3.273 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.797 4.091 2.045 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.982 3.815 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.958 2.451 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.111 1.659 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.522 2.455 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.963 4.915 -1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.527 5.022 -0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.119 5.918 0.420 1.00 0.00 H new ATOM 744 N VAL A 49 -6.619 1.794 2.989 1.00 0.00 N ATOM 745 CA VAL A 49 -6.575 0.502 3.663 1.00 0.00 C ATOM 746 C VAL A 49 -6.490 -0.640 2.657 1.00 0.00 C ATOM 747 O VAL A 49 -7.338 -0.768 1.773 1.00 0.00 O ATOM 748 CB VAL A 49 -7.812 0.293 4.557 1.00 0.00 C ATOM 749 CG1 VAL A 49 -7.707 -1.021 5.315 1.00 0.00 C ATOM 750 CG2 VAL A 49 -7.977 1.461 5.518 1.00 0.00 C ATOM 0 H VAL A 49 -7.529 2.033 2.594 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.681 0.500 4.286 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.696 0.248 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.590 -1.151 5.941 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.640 -1.846 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.816 -1.009 5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.855 1.297 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.092 1.540 6.150 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.101 2.384 4.951 1.00 0.00 H new ATOM 760 N LEU A 50 -5.462 -1.469 2.798 1.00 0.00 N ATOM 761 CA LEU A 50 -5.265 -2.603 1.901 1.00 0.00 C ATOM 762 C LEU A 50 -4.727 -3.811 2.661 1.00 0.00 C ATOM 763 O LEU A 50 -3.621 -3.777 3.200 1.00 0.00 O ATOM 764 CB LEU A 50 -4.303 -2.226 0.773 1.00 0.00 C ATOM 765 CG LEU A 50 -4.124 -3.267 -0.333 1.00 0.00 C ATOM 766 CD1 LEU A 50 -3.800 -2.590 -1.655 1.00 0.00 C ATOM 767 CD2 LEU A 50 -3.035 -4.261 0.042 1.00 0.00 C ATOM 0 H LEU A 50 -4.752 -1.378 3.525 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.232 -2.867 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.653 -1.299 0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.326 -2.018 1.210 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.061 -3.812 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.676 -3.346 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.614 -1.919 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.877 -2.019 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.921 -4.994 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.093 -3.732 0.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.310 -4.770 0.966 1.00 0.00 H new ATOM 779 N VAL A 51 -5.517 -4.880 2.699 1.00 0.00 N ATOM 780 CA VAL A 51 -5.119 -6.101 3.390 1.00 0.00 C ATOM 781 C VAL A 51 -4.678 -7.173 2.401 1.00 0.00 C ATOM 782 O VAL A 51 -5.456 -7.604 1.549 1.00 0.00 O ATOM 783 CB VAL A 51 -6.267 -6.655 4.255 1.00 0.00 C ATOM 784 CG1 VAL A 51 -5.854 -7.963 4.914 1.00 0.00 C ATOM 785 CG2 VAL A 51 -6.689 -5.633 5.299 1.00 0.00 C ATOM 0 H VAL A 51 -6.436 -4.925 2.259 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.280 -5.841 4.036 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.122 -6.854 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.677 -8.340 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.605 -8.695 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.984 -7.792 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.501 -6.042 5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.841 -5.400 5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.028 -4.724 4.802 1.00 0.00 H new ATOM 795 N SER A 52 -3.425 -7.601 2.519 1.00 0.00 N ATOM 796 CA SER A 52 -2.879 -8.622 1.633 1.00 0.00 C ATOM 797 C SER A 52 -2.059 -9.641 2.418 1.00 0.00 C ATOM 798 O SER A 52 -1.410 -9.302 3.408 1.00 0.00 O ATOM 799 CB SER A 52 -2.011 -7.977 0.551 1.00 0.00 C ATOM 800 OG SER A 52 -1.444 -8.958 -0.300 1.00 0.00 O ATOM 0 H SER A 52 -2.769 -7.256 3.220 1.00 0.00 H new ATOM 0 HA SER A 52 -3.713 -9.140 1.159 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.613 -7.285 -0.038 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.217 -7.393 1.017 1.00 0.00 H new ATOM 0 HG SER A 52 -0.895 -8.520 -0.984 1.00 0.00 H new ATOM 806 N ASP A 53 -2.093 -10.891 1.969 1.00 0.00 N ATOM 807 CA ASP A 53 -1.352 -11.960 2.628 1.00 0.00 C ATOM 808 C ASP A 53 -0.007 -12.190 1.945 1.00 0.00 C ATOM 809 O ASP A 53 0.893 -12.806 2.517 1.00 0.00 O ATOM 810 CB ASP A 53 -2.169 -13.253 2.622 1.00 0.00 C ATOM 811 CG ASP A 53 -1.751 -14.207 3.725 1.00 0.00 C ATOM 812 OD1 ASP A 53 -2.018 -13.902 4.906 1.00 0.00 O ATOM 813 OD2 ASP A 53 -1.157 -15.258 3.406 1.00 0.00 O ATOM 0 H ASP A 53 -2.626 -11.189 1.152 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.168 -11.660 3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.226 -13.012 2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.056 -13.746 1.657 1.00 0.00 H new ATOM 818 N ARG A 54 0.121 -11.693 0.719 1.00 0.00 N ATOM 819 CA ARG A 54 1.355 -11.847 -0.042 1.00 0.00 C ATOM 820 C ARG A 54 2.501 -11.087 0.621 1.00 0.00 C ATOM 821 O ARG A 54 3.668 -11.283 0.281 1.00 0.00 O ATOM 822 CB ARG A 54 1.160 -11.348 -1.475 1.00 0.00 C ATOM 823 CG ARG A 54 0.198 -12.198 -2.290 1.00 0.00 C ATOM 824 CD ARG A 54 0.823 -13.528 -2.681 1.00 0.00 C ATOM 825 NE ARG A 54 1.616 -13.422 -3.903 1.00 0.00 N ATOM 826 CZ ARG A 54 2.913 -13.134 -3.915 1.00 0.00 C ATOM 827 NH1 ARG A 54 3.560 -12.926 -2.776 1.00 0.00 N ATOM 828 NH2 ARG A 54 3.566 -13.056 -5.067 1.00 0.00 N ATOM 0 H ARG A 54 -0.614 -11.181 0.232 1.00 0.00 H new ATOM 0 HA ARG A 54 1.609 -12.907 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.791 -10.323 -1.447 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.127 -11.325 -1.978 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.709 -12.377 -1.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.097 -11.655 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.456 -13.884 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.037 -14.270 -2.822 1.00 0.00 H new ATOM 0 HE ARG A 54 1.148 -13.578 -4.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.062 -12.987 -1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.556 -12.705 -2.788 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.072 -13.217 -5.945 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.562 -12.835 -5.075 1.00 0.00 H new ATOM 842 N PHE A 55 2.159 -10.219 1.567 1.00 0.00 N ATOM 843 CA PHE A 55 3.159 -9.429 2.277 1.00 0.00 C ATOM 844 C PHE A 55 3.973 -10.306 3.223 1.00 0.00 C ATOM 845 O PHE A 55 5.122 -9.997 3.541 1.00 0.00 O ATOM 846 CB PHE A 55 2.485 -8.301 3.061 1.00 0.00 C ATOM 847 CG PHE A 55 2.110 -7.121 2.210 1.00 0.00 C ATOM 848 CD1 PHE A 55 3.079 -6.411 1.520 1.00 0.00 C ATOM 849 CD2 PHE A 55 0.788 -6.722 2.102 1.00 0.00 C ATOM 850 CE1 PHE A 55 2.737 -5.325 0.737 1.00 0.00 C ATOM 851 CE2 PHE A 55 0.440 -5.637 1.319 1.00 0.00 C ATOM 852 CZ PHE A 55 1.416 -4.937 0.637 1.00 0.00 C ATOM 0 H PHE A 55 1.198 -10.045 1.860 1.00 0.00 H new ATOM 0 HA PHE A 55 3.835 -8.996 1.540 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.589 -8.690 3.544 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.156 -7.969 3.854 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.114 -6.710 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.021 -7.264 2.635 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.502 -4.780 0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.595 -5.337 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.146 -4.088 0.027 1.00 0.00 H new ATOM 961 N ASN A 62 10.237 -2.916 1.151 1.00 0.00 N ATOM 962 CA ASN A 62 9.525 -3.205 -0.089 1.00 0.00 C ATOM 963 C ASN A 62 8.016 -3.098 0.113 1.00 0.00 C ATOM 964 O ASN A 62 7.292 -2.642 -0.773 1.00 0.00 O ATOM 965 CB ASN A 62 9.885 -4.603 -0.595 1.00 0.00 C ATOM 966 CG ASN A 62 9.086 -5.691 0.096 1.00 0.00 C ATOM 967 OD1 ASN A 62 7.855 -5.673 0.088 1.00 0.00 O ATOM 968 ND2 ASN A 62 9.785 -6.647 0.698 1.00 0.00 N ATOM 0 HA ASN A 62 9.828 -2.468 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.710 -4.654 -1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.949 -4.781 -0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.302 -7.406 1.179 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.805 -6.622 0.679 1.00 0.00 H new ATOM 975 N ARG A 63 7.550 -3.521 1.283 1.00 0.00 N ATOM 976 CA ARG A 63 6.128 -3.473 1.601 1.00 0.00 C ATOM 977 C ARG A 63 5.491 -2.197 1.057 1.00 0.00 C ATOM 978 O ARG A 63 4.671 -2.242 0.140 1.00 0.00 O ATOM 979 CB ARG A 63 5.918 -3.555 3.114 1.00 0.00 C ATOM 980 CG ARG A 63 4.567 -4.125 3.512 1.00 0.00 C ATOM 981 CD ARG A 63 4.553 -4.558 4.970 1.00 0.00 C ATOM 982 NE ARG A 63 5.162 -5.872 5.157 1.00 0.00 N ATOM 983 CZ ARG A 63 5.297 -6.457 6.342 1.00 0.00 C ATOM 984 NH1 ARG A 63 4.868 -5.848 7.439 1.00 0.00 N ATOM 985 NH2 ARG A 63 5.862 -7.655 6.431 1.00 0.00 N ATOM 0 H ARG A 63 8.136 -3.901 2.026 1.00 0.00 H new ATOM 0 HA ARG A 63 5.647 -4.329 1.127 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.705 -4.171 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.022 -2.558 3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 63 3.792 -3.377 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.329 -4.977 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.087 -3.822 5.572 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.525 -4.580 5.332 1.00 0.00 H new ATOM 0 HE ARG A 63 5.502 -6.368 4.333 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.433 -4.928 7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.973 -6.300 8.347 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.193 -8.127 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.965 -8.104 7.341 1.00 0.00 H new ATOM 999 N HIS A 64 5.875 -1.060 1.629 1.00 0.00 N ATOM 1000 CA HIS A 64 5.342 0.228 1.202 1.00 0.00 C ATOM 1001 C HIS A 64 5.836 0.584 -0.197 1.00 0.00 C ATOM 1002 O HIS A 64 5.041 0.873 -1.092 1.00 0.00 O ATOM 1003 CB HIS A 64 5.743 1.323 2.191 1.00 0.00 C ATOM 1004 CG HIS A 64 7.223 1.536 2.281 1.00 0.00 C ATOM 1005 ND1 HIS A 64 7.887 2.515 1.574 1.00 0.00 N ATOM 1006 CD2 HIS A 64 8.167 0.888 3.003 1.00 0.00 C ATOM 1007 CE1 HIS A 64 9.177 2.460 1.856 1.00 0.00 C ATOM 1008 NE2 HIS A 64 9.373 1.482 2.721 1.00 0.00 N ATOM 0 H HIS A 64 6.553 -1.005 2.389 1.00 0.00 H new ATOM 0 HA HIS A 64 4.255 0.153 1.176 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.267 2.258 1.897 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.360 1.067 3.179 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.003 0.059 3.675 1.00 0.00 H new ATOM 0 HE1 HIS A 64 9.941 3.105 1.448 1.00 0.00 H new ATOM 0 HE2 HIS A 64 10.274 1.211 3.116 1.00 0.00 H new ATOM 1017 N ARG A 65 7.153 0.561 -0.378 1.00 0.00 N ATOM 1018 CA ARG A 65 7.753 0.883 -1.667 1.00 0.00 C ATOM 1019 C ARG A 65 6.865 0.408 -2.813 1.00 0.00 C ATOM 1020 O ARG A 65 6.405 1.208 -3.628 1.00 0.00 O ATOM 1021 CB ARG A 65 9.138 0.244 -1.782 1.00 0.00 C ATOM 1022 CG ARG A 65 10.145 0.791 -0.784 1.00 0.00 C ATOM 1023 CD ARG A 65 11.574 0.519 -1.228 1.00 0.00 C ATOM 1024 NE ARG A 65 12.055 1.525 -2.172 1.00 0.00 N ATOM 1025 CZ ARG A 65 12.567 2.693 -1.802 1.00 0.00 C ATOM 1026 NH1 ARG A 65 12.665 3.001 -0.516 1.00 0.00 N ATOM 1027 NH2 ARG A 65 12.984 3.557 -2.719 1.00 0.00 N ATOM 0 H ARG A 65 7.824 0.323 0.352 1.00 0.00 H new ATOM 0 HA ARG A 65 7.854 1.966 -1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.045 -0.833 -1.639 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.518 0.400 -2.792 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.997 1.865 -0.668 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.974 0.338 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.227 0.499 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.629 -0.467 -1.690 1.00 0.00 H new ATOM 0 HE ARG A 65 11.994 1.319 -3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.347 2.340 0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 65 13.059 3.899 -0.235 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.911 3.324 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.377 4.454 -2.433 1.00 0.00 H new ATOM 1041 N MET A 66 6.629 -0.899 -2.870 1.00 0.00 N ATOM 1042 CA MET A 66 5.795 -1.480 -3.916 1.00 0.00 C ATOM 1043 C MET A 66 4.582 -0.598 -4.197 1.00 0.00 C ATOM 1044 O MET A 66 4.280 -0.292 -5.351 1.00 0.00 O ATOM 1045 CB MET A 66 5.339 -2.883 -3.514 1.00 0.00 C ATOM 1046 CG MET A 66 6.431 -3.934 -3.628 1.00 0.00 C ATOM 1047 SD MET A 66 5.781 -5.573 -4.005 1.00 0.00 S ATOM 1048 CE MET A 66 4.933 -5.961 -2.475 1.00 0.00 C ATOM 0 H MET A 66 7.003 -1.575 -2.205 1.00 0.00 H new ATOM 0 HA MET A 66 6.391 -1.547 -4.826 1.00 0.00 H new ATOM 0 HB2 MET A 66 4.977 -2.858 -2.486 1.00 0.00 H new ATOM 0 HB3 MET A 66 4.497 -3.176 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.134 -3.638 -4.406 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.989 -3.975 -2.693 1.00 0.00 H new ATOM 0 HE1 MET A 66 4.477 -6.948 -2.552 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.647 -5.954 -1.651 1.00 0.00 H new ATOM 0 HE3 MET A 66 4.158 -5.217 -2.290 1.00 0.00 H new ATOM 1058 N ILE A 67 3.892 -0.195 -3.137 1.00 0.00 N ATOM 1059 CA ILE A 67 2.712 0.652 -3.270 1.00 0.00 C ATOM 1060 C ILE A 67 3.056 1.968 -3.960 1.00 0.00 C ATOM 1061 O ILE A 67 2.431 2.342 -4.953 1.00 0.00 O ATOM 1062 CB ILE A 67 2.078 0.954 -1.900 1.00 0.00 C ATOM 1063 CG1 ILE A 67 1.730 -0.349 -1.177 1.00 0.00 C ATOM 1064 CG2 ILE A 67 0.838 1.819 -2.070 1.00 0.00 C ATOM 1065 CD1 ILE A 67 0.609 -1.124 -1.833 1.00 0.00 C ATOM 0 H ILE A 67 4.129 -0.441 -2.176 1.00 0.00 H new ATOM 0 HA ILE A 67 1.995 0.101 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 67 2.800 1.502 -1.294 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.619 -0.979 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.450 -0.121 -0.149 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.401 2.024 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.113 2.759 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.111 1.295 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.417 -2.035 -1.267 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.293 -0.512 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.894 -1.384 -2.852 1.00 0.00 H new ATOM 1077 N TYR A 68 4.054 2.665 -3.429 1.00 0.00 N ATOM 1078 CA TYR A 68 4.480 3.940 -3.993 1.00 0.00 C ATOM 1079 C TYR A 68 4.928 3.772 -5.442 1.00 0.00 C ATOM 1080 O TYR A 68 4.815 4.695 -6.249 1.00 0.00 O ATOM 1081 CB TYR A 68 5.619 4.533 -3.161 1.00 0.00 C ATOM 1082 CG TYR A 68 5.153 5.206 -1.890 1.00 0.00 C ATOM 1083 CD1 TYR A 68 4.079 6.087 -1.900 1.00 0.00 C ATOM 1084 CD2 TYR A 68 5.788 4.961 -0.678 1.00 0.00 C ATOM 1085 CE1 TYR A 68 3.650 6.704 -0.741 1.00 0.00 C ATOM 1086 CE2 TYR A 68 5.365 5.573 0.486 1.00 0.00 C ATOM 1087 CZ TYR A 68 4.296 6.443 0.450 1.00 0.00 C ATOM 1088 OH TYR A 68 3.873 7.056 1.607 1.00 0.00 O ATOM 0 H TYR A 68 4.583 2.369 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 68 3.629 4.621 -3.971 1.00 0.00 H new ATOM 0 HB2 TYR A 68 6.322 3.740 -2.906 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.162 5.258 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.571 6.293 -2.830 1.00 0.00 H new ATOM 0 HD2 TYR A 68 6.626 4.281 -0.646 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.814 7.387 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.869 5.371 1.420 1.00 0.00 H new ATOM 0 HH TYR A 68 4.433 6.763 2.356 1.00 0.00 H new ATOM 1098 N SER A 69 5.435 2.587 -5.764 1.00 0.00 N ATOM 1099 CA SER A 69 5.903 2.297 -7.115 1.00 0.00 C ATOM 1100 C SER A 69 4.747 2.336 -8.110 1.00 0.00 C ATOM 1101 O SER A 69 4.843 2.960 -9.167 1.00 0.00 O ATOM 1102 CB SER A 69 6.583 0.928 -7.159 1.00 0.00 C ATOM 1103 OG SER A 69 7.971 1.039 -6.893 1.00 0.00 O ATOM 0 H SER A 69 5.533 1.812 -5.108 1.00 0.00 H new ATOM 0 HA SER A 69 6.626 3.063 -7.395 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.121 0.265 -6.427 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.432 0.475 -8.139 1.00 0.00 H new ATOM 0 HG SER A 69 8.382 0.150 -6.925 1.00 0.00 H new ATOM 1109 N THR A 70 3.654 1.664 -7.763 1.00 0.00 N ATOM 1110 CA THR A 70 2.479 1.619 -8.625 1.00 0.00 C ATOM 1111 C THR A 70 1.800 2.982 -8.700 1.00 0.00 C ATOM 1112 O THR A 70 1.172 3.319 -9.705 1.00 0.00 O ATOM 1113 CB THR A 70 1.459 0.577 -8.130 1.00 0.00 C ATOM 1114 OG1 THR A 70 1.981 -0.744 -8.311 1.00 0.00 O ATOM 1115 CG2 THR A 70 0.140 0.713 -8.877 1.00 0.00 C ATOM 0 H THR A 70 3.558 1.143 -6.891 1.00 0.00 H new ATOM 0 HA THR A 70 2.826 1.334 -9.618 1.00 0.00 H new ATOM 0 HB THR A 70 1.278 0.754 -7.070 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.327 -1.401 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.565 -0.033 -8.510 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.270 1.710 -8.714 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.308 0.560 -9.943 1.00 0.00 H new ATOM 1123 N LEU A 71 1.931 3.763 -7.634 1.00 0.00 N ATOM 1124 CA LEU A 71 1.331 5.091 -7.579 1.00 0.00 C ATOM 1125 C LEU A 71 2.404 6.170 -7.476 1.00 0.00 C ATOM 1126 O LEU A 71 2.163 7.249 -6.936 1.00 0.00 O ATOM 1127 CB LEU A 71 0.374 5.192 -6.390 1.00 0.00 C ATOM 1128 CG LEU A 71 -0.591 4.021 -6.204 1.00 0.00 C ATOM 1129 CD1 LEU A 71 -1.156 4.013 -4.792 1.00 0.00 C ATOM 1130 CD2 LEU A 71 -1.714 4.088 -7.229 1.00 0.00 C ATOM 0 H LEU A 71 2.448 3.499 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 71 0.772 5.248 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.966 5.297 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.211 6.105 -6.497 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.040 3.093 -6.358 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.841 3.172 -4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.341 3.916 -4.075 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.692 4.944 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.391 3.247 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.263 5.022 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.293 4.043 -8.233 1.00 0.00 H new ATOM 1142 N ALA A 72 3.588 5.871 -8.000 1.00 0.00 N ATOM 1143 CA ALA A 72 4.697 6.817 -7.971 1.00 0.00 C ATOM 1144 C ALA A 72 4.331 8.114 -8.684 1.00 0.00 C ATOM 1145 O ALA A 72 4.947 9.154 -8.454 1.00 0.00 O ATOM 1146 CB ALA A 72 5.936 6.198 -8.600 1.00 0.00 C ATOM 0 H ALA A 72 3.804 4.981 -8.450 1.00 0.00 H new ATOM 0 HA ALA A 72 4.912 7.054 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.756 6.916 -8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.217 5.303 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.724 5.931 -9.635 1.00 0.00 H new ATOM 1152 N GLU A 73 3.325 8.044 -9.551 1.00 0.00 N ATOM 1153 CA GLU A 73 2.880 9.214 -10.299 1.00 0.00 C ATOM 1154 C GLU A 73 1.718 9.904 -9.589 1.00 0.00 C ATOM 1155 O GLU A 73 1.534 11.114 -9.711 1.00 0.00 O ATOM 1156 CB GLU A 73 2.460 8.812 -11.714 1.00 0.00 C ATOM 1157 CG GLU A 73 1.265 7.875 -11.752 1.00 0.00 C ATOM 1158 CD GLU A 73 0.910 7.438 -13.160 1.00 0.00 C ATOM 1159 OE1 GLU A 73 0.164 8.175 -13.839 1.00 0.00 O ATOM 1160 OE2 GLU A 73 1.378 6.361 -13.583 1.00 0.00 O ATOM 0 H GLU A 73 2.804 7.191 -9.752 1.00 0.00 H new ATOM 0 HA GLU A 73 3.714 9.914 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.224 9.711 -12.283 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.303 8.332 -12.211 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.479 6.995 -11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.405 8.371 -11.302 1.00 0.00 H new ATOM 1167 N GLU A 74 0.939 9.123 -8.847 1.00 0.00 N ATOM 1168 CA GLU A 74 -0.205 9.659 -8.118 1.00 0.00 C ATOM 1169 C GLU A 74 0.205 10.854 -7.263 1.00 0.00 C ATOM 1170 O GLU A 74 -0.380 11.934 -7.364 1.00 0.00 O ATOM 1171 CB GLU A 74 -0.828 8.576 -7.235 1.00 0.00 C ATOM 1172 CG GLU A 74 -1.508 7.466 -8.019 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.571 6.748 -7.212 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.322 6.466 -6.021 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -3.652 6.467 -7.770 1.00 0.00 O ATOM 0 H GLU A 74 1.079 8.119 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.943 9.993 -8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.051 8.141 -6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.557 9.037 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.961 7.886 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.758 6.746 -8.347 1.00 0.00 H new ATOM 1182 N LEU A 75 1.213 10.654 -6.422 1.00 0.00 N ATOM 1183 CA LEU A 75 1.703 11.715 -5.548 1.00 0.00 C ATOM 1184 C LEU A 75 2.381 12.816 -6.356 1.00 0.00 C ATOM 1185 O LEU A 75 2.501 13.952 -5.897 1.00 0.00 O ATOM 1186 CB LEU A 75 2.682 11.144 -4.520 1.00 0.00 C ATOM 1187 CG LEU A 75 3.789 10.247 -5.074 1.00 0.00 C ATOM 1188 CD1 LEU A 75 5.090 10.480 -4.321 1.00 0.00 C ATOM 1189 CD2 LEU A 75 3.380 8.784 -4.996 1.00 0.00 C ATOM 0 H LEU A 75 1.707 9.767 -6.326 1.00 0.00 H new ATOM 0 HA LEU A 75 0.849 12.146 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.147 11.975 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.114 10.574 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 75 3.948 10.503 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.867 9.833 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.391 11.522 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.945 10.252 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.180 8.161 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.193 8.513 -3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.473 8.628 -5.580 1.00 0.00 H new ATOM 1201 N SER A 76 2.820 12.473 -7.563 1.00 0.00 N ATOM 1202 CA SER A 76 3.487 13.433 -8.435 1.00 0.00 C ATOM 1203 C SER A 76 2.473 14.189 -9.288 1.00 0.00 C ATOM 1204 O SER A 76 2.840 15.004 -10.134 1.00 0.00 O ATOM 1205 CB SER A 76 4.497 12.719 -9.336 1.00 0.00 C ATOM 1206 OG SER A 76 5.707 12.464 -8.644 1.00 0.00 O ATOM 0 H SER A 76 2.726 11.538 -7.959 1.00 0.00 H new ATOM 0 HA SER A 76 4.014 14.151 -7.807 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.072 11.780 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.699 13.330 -10.216 1.00 0.00 H new ATOM 0 HG SER A 76 6.335 12.006 -9.241 1.00 0.00 H new ATOM 1212 N THR A 77 1.193 13.911 -9.059 1.00 0.00 N ATOM 1213 CA THR A 77 0.125 14.563 -9.806 1.00 0.00 C ATOM 1214 C THR A 77 -0.642 15.544 -8.926 1.00 0.00 C ATOM 1215 O THR A 77 -0.532 16.759 -9.091 1.00 0.00 O ATOM 1216 CB THR A 77 -0.862 13.534 -10.388 1.00 0.00 C ATOM 1217 OG1 THR A 77 -0.179 12.655 -11.289 1.00 0.00 O ATOM 1218 CG2 THR A 77 -2.002 14.229 -11.117 1.00 0.00 C ATOM 0 H THR A 77 0.871 13.239 -8.362 1.00 0.00 H new ATOM 0 HA THR A 77 0.598 15.106 -10.624 1.00 0.00 H new ATOM 0 HB THR A 77 -1.278 12.956 -9.563 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.441 12.088 -10.785 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.686 13.482 -11.519 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.538 14.875 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.600 14.829 -11.933 1.00 0.00 H new ATOM 1226 N THR A 78 -1.419 15.009 -7.989 1.00 0.00 N ATOM 1227 CA THR A 78 -2.205 15.837 -7.083 1.00 0.00 C ATOM 1228 C THR A 78 -1.914 15.489 -5.628 1.00 0.00 C ATOM 1229 O THR A 78 -1.540 16.353 -4.835 1.00 0.00 O ATOM 1230 CB THR A 78 -3.715 15.680 -7.345 1.00 0.00 C ATOM 1231 OG1 THR A 78 -4.107 16.494 -8.456 1.00 0.00 O ATOM 1232 CG2 THR A 78 -4.521 16.069 -6.115 1.00 0.00 C ATOM 0 H THR A 78 -1.521 14.005 -7.838 1.00 0.00 H new ATOM 0 HA THR A 78 -1.917 16.871 -7.271 1.00 0.00 H new ATOM 0 HB THR A 78 -3.915 14.633 -7.574 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.068 16.387 -8.617 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.584 15.950 -6.324 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.242 15.428 -5.279 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.316 17.108 -5.859 1.00 0.00 H new ATOM 1240 N VAL A 79 -2.087 14.217 -5.283 1.00 0.00 N ATOM 1241 CA VAL A 79 -1.841 13.754 -3.922 1.00 0.00 C ATOM 1242 C VAL A 79 -0.479 14.221 -3.421 1.00 0.00 C ATOM 1243 O VAL A 79 0.519 14.143 -4.138 1.00 0.00 O ATOM 1244 CB VAL A 79 -1.910 12.218 -3.831 1.00 0.00 C ATOM 1245 CG1 VAL A 79 -1.399 11.740 -2.481 1.00 0.00 C ATOM 1246 CG2 VAL A 79 -3.332 11.734 -4.074 1.00 0.00 C ATOM 0 H VAL A 79 -2.396 13.489 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.623 14.183 -3.295 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.269 11.796 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.455 10.652 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.364 12.056 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.011 12.169 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.363 10.647 -4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.996 12.163 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.658 12.045 -5.067 1.00 0.00 H new ATOM 1256 N HIS A 80 -0.444 14.706 -2.184 1.00 0.00 N ATOM 1257 CA HIS A 80 0.796 15.185 -1.585 1.00 0.00 C ATOM 1258 C HIS A 80 1.344 14.171 -0.585 1.00 0.00 C ATOM 1259 O HIS A 80 2.464 13.684 -0.731 1.00 0.00 O ATOM 1260 CB HIS A 80 0.568 16.529 -0.892 1.00 0.00 C ATOM 1261 CG HIS A 80 1.802 17.372 -0.797 1.00 0.00 C ATOM 1262 ND1 HIS A 80 2.049 18.443 -1.630 1.00 0.00 N ATOM 1263 CD2 HIS A 80 2.862 17.297 0.041 1.00 0.00 C ATOM 1264 CE1 HIS A 80 3.208 18.989 -1.310 1.00 0.00 C ATOM 1265 NE2 HIS A 80 3.722 18.313 -0.298 1.00 0.00 N ATOM 0 H HIS A 80 -1.261 14.778 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 80 1.528 15.315 -2.382 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.199 17.082 -1.434 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.182 16.350 0.112 1.00 0.00 H new ATOM 0 HD2 HIS A 80 3.005 16.573 0.830 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.659 19.843 -1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 80 4.612 18.513 0.157 1.00 0.00 H new ATOM 1274 N ALA A 81 0.546 13.859 0.431 1.00 0.00 N ATOM 1275 CA ALA A 81 0.950 12.902 1.454 1.00 0.00 C ATOM 1276 C ALA A 81 -0.150 11.878 1.712 1.00 0.00 C ATOM 1277 O ALA A 81 -1.319 12.232 1.865 1.00 0.00 O ATOM 1278 CB ALA A 81 1.312 13.627 2.741 1.00 0.00 C ATOM 0 H ALA A 81 -0.384 14.255 0.568 1.00 0.00 H new ATOM 0 HA ALA A 81 1.829 12.369 1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.612 12.900 3.496 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.136 14.315 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.448 14.187 3.099 1.00 0.00 H new ATOM 1284 N LEU A 82 0.232 10.606 1.760 1.00 0.00 N ATOM 1285 CA LEU A 82 -0.722 9.529 2.000 1.00 0.00 C ATOM 1286 C LEU A 82 -0.185 8.547 3.036 1.00 0.00 C ATOM 1287 O LEU A 82 0.999 8.213 3.034 1.00 0.00 O ATOM 1288 CB LEU A 82 -1.029 8.793 0.694 1.00 0.00 C ATOM 1289 CG LEU A 82 -1.654 7.405 0.837 1.00 0.00 C ATOM 1290 CD1 LEU A 82 -2.839 7.449 1.789 1.00 0.00 C ATOM 1291 CD2 LEU A 82 -2.079 6.869 -0.522 1.00 0.00 C ATOM 0 H LEU A 82 1.196 10.296 1.636 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.641 9.970 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.701 9.413 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.102 8.696 0.129 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.905 6.731 1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.271 6.452 1.878 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.506 7.789 2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.591 8.137 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.522 5.880 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.812 7.543 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.208 6.799 -1.174 1.00 0.00 H new ATOM 1303 N ALA A 83 -1.065 8.086 3.919 1.00 0.00 N ATOM 1304 CA ALA A 83 -0.681 7.139 4.958 1.00 0.00 C ATOM 1305 C ALA A 83 -1.131 5.725 4.605 1.00 0.00 C ATOM 1306 O ALA A 83 -2.266 5.336 4.884 1.00 0.00 O ATOM 1307 CB ALA A 83 -1.263 7.561 6.298 1.00 0.00 C ATOM 0 H ALA A 83 -2.049 8.353 3.935 1.00 0.00 H new ATOM 0 HA ALA A 83 0.407 7.139 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.968 6.844 7.065 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.888 8.550 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.350 7.591 6.229 1.00 0.00 H new ATOM 1313 N LEU A 84 -0.235 4.961 3.990 1.00 0.00 N ATOM 1314 CA LEU A 84 -0.541 3.589 3.599 1.00 0.00 C ATOM 1315 C LEU A 84 -0.641 2.683 4.822 1.00 0.00 C ATOM 1316 O LEU A 84 0.307 2.562 5.598 1.00 0.00 O ATOM 1317 CB LEU A 84 0.532 3.059 2.645 1.00 0.00 C ATOM 1318 CG LEU A 84 0.810 3.914 1.407 1.00 0.00 C ATOM 1319 CD1 LEU A 84 2.011 3.374 0.646 1.00 0.00 C ATOM 1320 CD2 LEU A 84 -0.416 3.964 0.507 1.00 0.00 C ATOM 0 H LEU A 84 0.708 5.268 3.751 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.505 3.589 3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.462 2.948 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.237 2.063 2.315 1.00 0.00 H new ATOM 0 HG LEU A 84 1.038 4.929 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.195 3.994 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.889 3.391 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.812 2.350 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.200 4.576 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.675 2.954 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.252 4.397 1.055 1.00 0.00 H new ATOM 1332 N HIS A 85 -1.796 2.046 4.986 1.00 0.00 N ATOM 1333 CA HIS A 85 -2.020 1.148 6.114 1.00 0.00 C ATOM 1334 C HIS A 85 -2.232 -0.285 5.634 1.00 0.00 C ATOM 1335 O HIS A 85 -3.366 -0.758 5.538 1.00 0.00 O ATOM 1336 CB HIS A 85 -3.229 1.609 6.929 1.00 0.00 C ATOM 1337 CG HIS A 85 -2.890 2.614 7.986 1.00 0.00 C ATOM 1338 ND1 HIS A 85 -1.737 2.552 8.742 1.00 0.00 N ATOM 1339 CD2 HIS A 85 -3.558 3.711 8.412 1.00 0.00 C ATOM 1340 CE1 HIS A 85 -1.713 3.567 9.587 1.00 0.00 C ATOM 1341 NE2 HIS A 85 -2.806 4.286 9.408 1.00 0.00 N ATOM 0 H HIS A 85 -2.591 2.135 4.353 1.00 0.00 H new ATOM 0 HA HIS A 85 -1.133 1.173 6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -3.969 2.039 6.254 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -3.692 0.742 7.399 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -4.506 4.068 8.038 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -0.932 3.774 10.303 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -3.052 5.130 9.925 1.00 0.00 H new ATOM 1350 N THR A 86 -1.135 -0.971 5.331 1.00 0.00 N ATOM 1351 CA THR A 86 -1.201 -2.349 4.859 1.00 0.00 C ATOM 1352 C THR A 86 -1.195 -3.330 6.025 1.00 0.00 C ATOM 1353 O THR A 86 -0.325 -3.271 6.895 1.00 0.00 O ATOM 1354 CB THR A 86 -0.025 -2.677 3.920 1.00 0.00 C ATOM 1355 OG1 THR A 86 1.218 -2.412 4.579 1.00 0.00 O ATOM 1356 CG2 THR A 86 -0.111 -1.860 2.640 1.00 0.00 C ATOM 0 H THR A 86 -0.190 -0.595 5.404 1.00 0.00 H new ATOM 0 HA THR A 86 -2.136 -2.451 4.308 1.00 0.00 H new ATOM 0 HB THR A 86 -0.079 -3.735 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.094 -2.476 5.549 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.730 -2.109 1.993 1.00 0.00 H new ATOM 0 HG22 THR A 86 -1.045 -2.087 2.125 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.080 -0.798 2.883 1.00 0.00 H new ATOM 1364 N TYR A 87 -2.168 -4.234 6.037 1.00 0.00 N ATOM 1365 CA TYR A 87 -2.276 -5.228 7.098 1.00 0.00 C ATOM 1366 C TYR A 87 -2.463 -6.627 6.518 1.00 0.00 C ATOM 1367 O TYR A 87 -2.764 -6.786 5.334 1.00 0.00 O ATOM 1368 CB TYR A 87 -3.442 -4.889 8.027 1.00 0.00 C ATOM 1369 CG TYR A 87 -3.166 -3.720 8.945 1.00 0.00 C ATOM 1370 CD1 TYR A 87 -3.006 -2.436 8.437 1.00 0.00 C ATOM 1371 CD2 TYR A 87 -3.064 -3.898 10.319 1.00 0.00 C ATOM 1372 CE1 TYR A 87 -2.752 -1.365 9.271 1.00 0.00 C ATOM 1373 CE2 TYR A 87 -2.813 -2.832 11.161 1.00 0.00 C ATOM 1374 CZ TYR A 87 -2.657 -1.567 10.632 1.00 0.00 C ATOM 1375 OH TYR A 87 -2.405 -0.503 11.467 1.00 0.00 O ATOM 0 H TYR A 87 -2.894 -4.299 5.323 1.00 0.00 H new ATOM 0 HA TYR A 87 -1.348 -5.213 7.670 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.323 -4.667 7.424 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -3.681 -5.765 8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.082 -2.273 7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.183 -4.887 10.736 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.628 -0.374 8.860 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.739 -2.988 12.227 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.370 -0.816 12.395 1.00 0.00 H new ATOM 1385 N THR A 88 -2.282 -7.639 7.360 1.00 0.00 N ATOM 1386 CA THR A 88 -2.429 -9.025 6.932 1.00 0.00 C ATOM 1387 C THR A 88 -3.680 -9.655 7.534 1.00 0.00 C ATOM 1388 O THR A 88 -4.063 -9.342 8.662 1.00 0.00 O ATOM 1389 CB THR A 88 -1.202 -9.868 7.326 1.00 0.00 C ATOM 1390 OG1 THR A 88 -0.692 -9.430 8.590 1.00 0.00 O ATOM 1391 CG2 THR A 88 -0.112 -9.764 6.270 1.00 0.00 C ATOM 0 H THR A 88 -2.033 -7.525 8.343 1.00 0.00 H new ATOM 0 HA THR A 88 -2.518 -9.013 5.846 1.00 0.00 H new ATOM 0 HB THR A 88 -1.514 -10.910 7.402 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.087 -9.972 8.834 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.744 -10.368 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.494 -10.126 5.316 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.196 -8.724 6.166 1.00 0.00 H new ATOM 1399 N ILE A 89 -4.311 -10.545 6.776 1.00 0.00 N ATOM 1400 CA ILE A 89 -5.518 -11.221 7.237 1.00 0.00 C ATOM 1401 C ILE A 89 -5.399 -11.618 8.704 1.00 0.00 C ATOM 1402 O ILE A 89 -6.377 -11.578 9.451 1.00 0.00 O ATOM 1403 CB ILE A 89 -5.813 -12.479 6.399 1.00 0.00 C ATOM 1404 CG1 ILE A 89 -6.180 -12.088 4.965 1.00 0.00 C ATOM 1405 CG2 ILE A 89 -6.933 -13.289 7.035 1.00 0.00 C ATOM 1406 CD1 ILE A 89 -4.987 -11.999 4.040 1.00 0.00 C ATOM 0 H ILE A 89 -4.007 -10.815 5.840 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.340 -10.515 7.120 1.00 0.00 H new ATOM 0 HB ILE A 89 -4.915 -13.097 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.885 -12.818 4.567 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -6.692 -11.126 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.130 -14.175 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.637 -13.593 8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.836 -12.680 7.091 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.321 -11.718 3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.291 -11.248 4.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.487 -12.967 3.996 1.00 0.00 H new ATOM 1418 N LYS A 90 -4.194 -12.001 9.113 1.00 0.00 N ATOM 1419 CA LYS A 90 -3.945 -12.403 10.492 1.00 0.00 C ATOM 1420 C LYS A 90 -4.035 -11.205 11.432 1.00 0.00 C ATOM 1421 O LYS A 90 -4.885 -11.166 12.321 1.00 0.00 O ATOM 1422 CB LYS A 90 -2.566 -13.057 10.613 1.00 0.00 C ATOM 1423 CG LYS A 90 -2.576 -14.551 10.339 1.00 0.00 C ATOM 1424 CD LYS A 90 -2.930 -15.344 11.587 1.00 0.00 C ATOM 1425 CE LYS A 90 -1.756 -15.421 12.550 1.00 0.00 C ATOM 1426 NZ LYS A 90 -2.194 -15.759 13.933 1.00 0.00 N ATOM 0 H LYS A 90 -3.374 -12.041 8.508 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.710 -13.125 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.881 -12.573 9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.177 -12.883 11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.295 -14.772 9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.597 -14.862 9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.781 -14.879 12.085 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.237 -16.351 11.305 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.048 -16.172 12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.230 -14.466 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.365 -15.802 14.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.850 -15.029 14.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.673 -16.682 13.930 1.00 0.00 H new ATOM 1440 N GLU A 91 -3.153 -10.231 11.229 1.00 0.00 N ATOM 1441 CA GLU A 91 -3.135 -9.033 12.059 1.00 0.00 C ATOM 1442 C GLU A 91 -4.536 -8.441 12.191 1.00 0.00 C ATOM 1443 O GLU A 91 -4.916 -7.951 13.254 1.00 0.00 O ATOM 1444 CB GLU A 91 -2.183 -7.991 11.469 1.00 0.00 C ATOM 1445 CG GLU A 91 -0.720 -8.259 11.779 1.00 0.00 C ATOM 1446 CD GLU A 91 -0.302 -7.721 13.134 1.00 0.00 C ATOM 1447 OE1 GLU A 91 0.133 -6.553 13.201 1.00 0.00 O ATOM 1448 OE2 GLU A 91 -0.411 -8.470 14.128 1.00 0.00 O ATOM 0 H GLU A 91 -2.442 -10.248 10.497 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.783 -9.315 13.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.317 -7.960 10.388 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.453 -7.007 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.537 -9.333 11.746 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.100 -7.806 11.005 1.00 0.00 H new ATOM 1455 N TRP A 92 -5.296 -8.490 11.103 1.00 0.00 N ATOM 1456 CA TRP A 92 -6.655 -7.958 11.096 1.00 0.00 C ATOM 1457 C TRP A 92 -7.612 -8.900 11.818 1.00 0.00 C ATOM 1458 O TRP A 92 -8.489 -8.459 12.560 1.00 0.00 O ATOM 1459 CB TRP A 92 -7.128 -7.732 9.660 1.00 0.00 C ATOM 1460 CG TRP A 92 -8.111 -6.607 9.528 1.00 0.00 C ATOM 1461 CD1 TRP A 92 -9.310 -6.639 8.876 1.00 0.00 C ATOM 1462 CD2 TRP A 92 -7.976 -5.285 10.061 1.00 0.00 C ATOM 1463 NE1 TRP A 92 -9.929 -5.416 8.971 1.00 0.00 N ATOM 1464 CE2 TRP A 92 -9.132 -4.569 9.694 1.00 0.00 C ATOM 1465 CE3 TRP A 92 -6.994 -4.638 10.814 1.00 0.00 C ATOM 1466 CZ2 TRP A 92 -9.328 -3.238 10.054 1.00 0.00 C ATOM 1467 CZ3 TRP A 92 -7.190 -3.317 11.171 1.00 0.00 C ATOM 1468 CH2 TRP A 92 -8.350 -2.629 10.791 1.00 0.00 C ATOM 0 H TRP A 92 -4.995 -8.892 10.215 1.00 0.00 H new ATOM 0 HA TRP A 92 -6.648 -7.004 11.623 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -6.264 -7.526 9.029 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -7.584 -8.649 9.287 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.713 -7.499 8.361 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -10.835 -5.178 8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -6.097 -5.161 11.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -10.221 -2.705 9.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -6.436 -2.807 11.753 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -8.474 -1.597 11.086 1.00 0.00 H new ATOM 1479 N GLU A 93 -7.437 -10.199 11.595 1.00 0.00 N ATOM 1480 CA GLU A 93 -8.287 -11.202 12.225 1.00 0.00 C ATOM 1481 C GLU A 93 -8.481 -10.898 13.708 1.00 0.00 C ATOM 1482 O GLU A 93 -9.445 -11.350 14.324 1.00 0.00 O ATOM 1483 CB GLU A 93 -7.681 -12.597 12.055 1.00 0.00 C ATOM 1484 CG GLU A 93 -8.143 -13.312 10.796 1.00 0.00 C ATOM 1485 CD GLU A 93 -9.391 -14.144 11.023 1.00 0.00 C ATOM 1486 OE1 GLU A 93 -10.497 -13.565 11.026 1.00 0.00 O ATOM 1487 OE2 GLU A 93 -9.260 -15.373 11.197 1.00 0.00 O ATOM 0 H GLU A 93 -6.715 -10.581 10.984 1.00 0.00 H new ATOM 0 HA GLU A 93 -9.260 -11.174 11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.594 -12.512 12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.939 -13.204 12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.338 -12.576 10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.342 -13.956 10.434 1.00 0.00 H new ATOM 1494 N GLY A 94 -7.557 -10.128 14.274 1.00 0.00 N ATOM 1495 CA GLY A 94 -7.643 -9.777 15.679 1.00 0.00 C ATOM 1496 C GLY A 94 -6.471 -8.933 16.139 1.00 0.00 C ATOM 1497 O GLY A 94 -5.767 -9.296 17.083 1.00 0.00 O ATOM 0 H GLY A 94 -6.750 -9.741 13.784 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.571 -9.233 15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.687 -10.688 16.276 1.00 0.00 H new