USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.41 K(o=-3.4,f=-8.4!) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc=-0.00738 (180deg=-0.902!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 120:sc= -2.99! USER MOD Single : A 40 SER OG : rot 41:sc= 0.078 USER MOD Single : A 42 THR OG1 : rot -150:sc= 0.103 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.525 X(o=-0.53,f=-0.6) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 173:sc= -10.1! (180deg=-10.8!) USER MOD Single : A 55 THR OG1 : rot -24:sc= -2.34! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 64 GLN : amide:sc= -0.225 K(o=-0.22,f=-0.76) USER MOD Single : A 67 THR OG1 : rot 77:sc= 0.362 USER MOD Single : A 73 ASN : amide:sc= -4.46! C(o=-4.5!,f=-6.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.286 -10.794 -0.624 1.00 16.66 N ATOM 86 CA ASP A 7 -1.963 -12.121 -0.667 1.00 16.66 C ATOM 87 C ASP A 7 -2.936 -12.234 0.507 1.00 16.66 C ATOM 88 O ASP A 7 -4.105 -12.515 0.336 1.00 16.66 O ATOM 89 CB ASP A 7 -0.915 -13.231 -0.569 1.00 16.66 C ATOM 90 CG ASP A 7 -0.253 -13.429 -1.934 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.699 -12.807 -2.882 1.00 50.00 O ATOM 92 OD2 ASP A 7 0.691 -14.199 -2.005 1.00 50.00 O ATOM 0 HA ASP A 7 -2.511 -12.220 -1.604 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.164 -12.972 0.177 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.383 -14.160 -0.242 1.00 16.66 H new ATOM 97 N LYS A 8 -2.457 -12.020 1.698 1.00 16.66 N ATOM 98 CA LYS A 8 -3.344 -12.115 2.891 1.00 16.66 C ATOM 99 C LYS A 8 -4.677 -11.430 2.599 1.00 16.66 C ATOM 100 O LYS A 8 -5.722 -11.877 3.029 1.00 16.66 O ATOM 101 CB LYS A 8 -2.670 -11.429 4.078 1.00 16.66 C ATOM 102 CG LYS A 8 -1.699 -12.407 4.736 1.00 16.66 C ATOM 103 CD LYS A 8 -1.237 -11.839 6.079 1.00 16.66 C ATOM 104 CE LYS A 8 -2.260 -12.189 7.162 1.00 50.00 C ATOM 105 NZ LYS A 8 -1.863 -11.545 8.446 1.00 50.00 N ATOM 0 H LYS A 8 -1.486 -11.782 1.899 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.523 -13.164 3.126 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.138 -10.538 3.745 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.420 -11.102 4.798 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.183 -13.372 4.884 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.841 -12.577 4.086 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -0.261 -12.246 6.341 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -1.123 -10.757 6.008 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -3.252 -11.850 6.864 1.00 50.00 H new ATOM 0 HE3 LYS A 8 -2.317 -13.270 7.287 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 -2.558 -11.782 9.183 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 -0.924 -11.890 8.731 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -1.830 -10.513 8.321 1.00 50.00 H new ATOM 119 N ALA A 9 -4.653 -10.351 1.871 1.00 16.66 N ATOM 120 CA ALA A 9 -5.923 -9.646 1.554 1.00 16.66 C ATOM 121 C ALA A 9 -6.846 -10.605 0.811 1.00 16.66 C ATOM 122 O ALA A 9 -8.011 -10.735 1.127 1.00 16.66 O ATOM 123 CB ALA A 9 -5.629 -8.427 0.674 1.00 16.66 C ATOM 0 H ALA A 9 -3.810 -9.927 1.482 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.401 -9.312 2.475 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.561 -7.912 0.443 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -4.961 -7.748 1.204 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.155 -8.753 -0.252 1.00 16.66 H new ATOM 129 N GLU A 10 -6.328 -11.286 -0.168 1.00 16.66 N ATOM 130 CA GLU A 10 -7.170 -12.249 -0.929 1.00 16.66 C ATOM 131 C GLU A 10 -7.531 -13.419 -0.016 1.00 16.66 C ATOM 132 O GLU A 10 -8.633 -13.929 -0.047 1.00 16.66 O ATOM 133 CB GLU A 10 -6.394 -12.766 -2.142 1.00 16.66 C ATOM 134 CG GLU A 10 -5.787 -11.585 -2.902 1.00 16.66 C ATOM 135 CD GLU A 10 -5.290 -12.060 -4.268 1.00 16.66 C ATOM 136 OE1 GLU A 10 -5.096 -13.254 -4.424 1.00 16.66 O ATOM 137 OE2 GLU A 10 -5.114 -11.220 -5.137 1.00 16.66 O ATOM 0 H GLU A 10 -5.358 -11.219 -0.476 1.00 16.66 H new ATOM 0 HA GLU A 10 -8.078 -11.753 -1.272 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.607 -13.448 -1.820 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -7.057 -13.331 -2.797 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.531 -10.798 -3.027 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.963 -11.157 -2.332 1.00 16.66 H new ATOM 144 N ARG A 11 -6.611 -13.844 0.802 1.00 16.66 N ATOM 145 CA ARG A 11 -6.892 -14.976 1.724 1.00 16.66 C ATOM 146 C ARG A 11 -7.910 -14.536 2.777 1.00 16.66 C ATOM 147 O ARG A 11 -8.799 -15.276 3.146 1.00 16.66 O ATOM 148 CB ARG A 11 -5.595 -15.396 2.416 1.00 16.66 C ATOM 149 CG ARG A 11 -4.695 -16.121 1.413 1.00 16.66 C ATOM 150 CD ARG A 11 -3.499 -16.734 2.142 1.00 50.00 C ATOM 151 NE ARG A 11 -3.025 -15.787 3.187 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.746 -15.607 3.381 1.00 50.00 C ATOM 153 NH1 ARG A 11 -0.922 -15.610 2.369 1.00 50.00 N ATOM 154 NH2 ARG A 11 -1.292 -15.420 4.590 1.00 50.00 N ATOM 0 H ARG A 11 -5.671 -13.453 0.871 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.295 -15.816 1.159 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.082 -14.520 2.814 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.816 -16.048 3.261 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.259 -16.900 0.901 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.349 -15.424 0.650 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -3.782 -17.683 2.596 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -2.697 -16.946 1.435 1.00 50.00 H new ATOM 0 HE ARG A 11 -3.702 -15.276 3.754 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -1.276 -15.753 1.423 1.00 50.00 H new ATOM 0 HH12 ARG A 11 0.076 -15.469 2.524 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -1.936 -15.415 5.381 1.00 50.00 H new ATOM 0 HH22 ARG A 11 -0.294 -15.279 4.744 1.00 50.00 H new ATOM 168 N GLU A 12 -7.783 -13.333 3.261 1.00 16.66 N ATOM 169 CA GLU A 12 -8.739 -12.835 4.287 1.00 16.66 C ATOM 170 C GLU A 12 -10.122 -12.678 3.659 1.00 16.66 C ATOM 171 O GLU A 12 -11.128 -13.018 4.252 1.00 16.66 O ATOM 172 CB GLU A 12 -8.263 -11.480 4.814 1.00 16.66 C ATOM 173 CG GLU A 12 -7.367 -11.690 6.036 1.00 16.66 C ATOM 174 CD GLU A 12 -7.348 -10.415 6.881 1.00 16.66 C ATOM 175 OE1 GLU A 12 -8.063 -9.489 6.536 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.616 -10.385 7.857 1.00 50.00 O ATOM 0 H GLU A 12 -7.056 -12.671 2.989 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.791 -13.547 5.111 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.715 -10.948 4.036 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.120 -10.861 5.081 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.734 -12.527 6.630 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.355 -11.944 5.719 1.00 16.66 H new ATOM 183 N ARG A 13 -10.182 -12.166 2.464 1.00 16.66 N ATOM 184 CA ARG A 13 -11.501 -11.989 1.797 1.00 16.66 C ATOM 185 C ARG A 13 -12.112 -13.359 1.516 1.00 16.66 C ATOM 186 O ARG A 13 -13.293 -13.574 1.703 1.00 16.66 O ATOM 187 CB ARG A 13 -11.312 -11.231 0.482 1.00 16.66 C ATOM 188 CG ARG A 13 -10.759 -9.836 0.777 1.00 16.66 C ATOM 189 CD ARG A 13 -10.320 -9.175 -0.531 1.00 16.66 C ATOM 190 NE ARG A 13 -11.478 -8.465 -1.144 1.00 50.00 N ATOM 191 CZ ARG A 13 -12.249 -9.087 -1.993 1.00 50.00 C ATOM 192 NH1 ARG A 13 -13.496 -9.323 -1.691 1.00 50.00 N ATOM 193 NH2 ARG A 13 -11.773 -9.474 -3.145 1.00 50.00 N ATOM 0 H ARG A 13 -9.375 -11.862 1.919 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.166 -11.420 2.447 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.628 -11.775 -0.170 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.262 -11.154 -0.046 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.519 -9.228 1.267 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -9.915 -9.905 1.463 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.509 -8.472 -0.341 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.936 -9.927 -1.220 1.00 16.66 H new ATOM 0 HE ARG A 13 -11.668 -7.493 -0.900 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -13.869 -9.021 -0.791 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -14.098 -9.809 -2.355 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -10.798 -9.290 -3.382 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -12.376 -9.960 -3.809 1.00 50.00 H new ATOM 207 N ILE A 14 -11.316 -14.293 1.077 1.00 16.66 N ATOM 208 CA ILE A 14 -11.852 -15.652 0.795 1.00 16.66 C ATOM 209 C ILE A 14 -12.217 -16.328 2.117 1.00 16.66 C ATOM 210 O ILE A 14 -13.276 -16.912 2.257 1.00 16.66 O ATOM 211 CB ILE A 14 -10.790 -16.479 0.071 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.366 -15.753 -1.208 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.367 -17.849 -0.289 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.993 -16.259 -1.652 1.00 50.00 C ATOM 0 H ILE A 14 -10.318 -14.174 0.902 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.738 -15.576 0.165 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.925 -16.609 0.721 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -11.100 -15.923 -1.996 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.330 -14.678 -1.033 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.609 -18.439 -0.805 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.671 -18.366 0.621 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.232 -17.720 -0.940 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.692 -15.742 -2.563 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.263 -16.066 -0.866 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -9.045 -17.331 -1.844 1.00 50.00 H new ATOM 226 N PHE A 15 -11.354 -16.244 3.093 1.00 16.66 N ATOM 227 CA PHE A 15 -11.667 -16.877 4.401 1.00 16.66 C ATOM 228 C PHE A 15 -12.898 -16.197 4.999 1.00 16.66 C ATOM 229 O PHE A 15 -13.730 -16.828 5.618 1.00 16.66 O ATOM 230 CB PHE A 15 -10.482 -16.726 5.356 1.00 16.66 C ATOM 231 CG PHE A 15 -10.830 -17.393 6.667 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.589 -18.761 6.839 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.407 -16.649 7.703 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.921 -19.386 8.046 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.743 -17.275 8.912 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.499 -18.645 9.083 1.00 16.66 C ATOM 0 H PHE A 15 -10.453 -15.768 3.040 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.864 -17.939 4.252 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.589 -17.180 4.926 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.257 -15.671 5.516 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.146 -19.335 6.039 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.593 -15.593 7.571 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.731 -20.441 8.177 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.190 -16.702 9.711 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.757 -19.128 10.014 1.00 16.66 H new ATOM 246 N LYS A 16 -13.023 -14.913 4.808 1.00 16.66 N ATOM 247 CA LYS A 16 -14.205 -14.191 5.354 1.00 16.66 C ATOM 248 C LYS A 16 -15.468 -14.703 4.660 1.00 16.66 C ATOM 249 O LYS A 16 -16.537 -14.734 5.236 1.00 16.66 O ATOM 250 CB LYS A 16 -14.053 -12.691 5.097 1.00 50.00 C ATOM 251 CG LYS A 16 -13.187 -12.070 6.195 1.00 50.00 C ATOM 252 CD LYS A 16 -13.247 -10.546 6.090 1.00 50.00 C ATOM 253 CE LYS A 16 -12.148 -9.930 6.959 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.766 -9.040 7.983 1.00 50.00 N ATOM 0 H LYS A 16 -12.357 -14.333 4.297 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.278 -14.366 6.427 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.597 -12.523 4.121 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.033 -12.213 5.078 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.538 -12.392 7.175 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.157 -12.412 6.097 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -13.121 -10.237 5.052 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.224 -10.187 6.413 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.571 -10.716 7.446 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -11.454 -9.362 6.339 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -12.020 -8.621 8.574 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.299 -8.283 7.509 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -13.411 -9.595 8.581 1.00 50.00 H new ATOM 268 N ARG A 17 -15.349 -15.114 3.426 1.00 16.66 N ATOM 269 CA ARG A 17 -16.538 -15.632 2.697 1.00 16.66 C ATOM 270 C ARG A 17 -16.968 -16.959 3.320 1.00 16.66 C ATOM 271 O ARG A 17 -18.141 -17.258 3.426 1.00 16.66 O ATOM 272 CB ARG A 17 -16.177 -15.853 1.228 1.00 16.66 C ATOM 273 CG ARG A 17 -16.054 -14.500 0.529 1.00 16.66 C ATOM 274 CD ARG A 17 -15.946 -14.713 -0.980 1.00 50.00 C ATOM 275 NE ARG A 17 -15.422 -13.473 -1.616 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.375 -13.530 -2.394 1.00 50.00 C ATOM 277 NH1 ARG A 17 -14.517 -13.424 -3.687 1.00 50.00 N ATOM 278 NH2 ARG A 17 -13.187 -13.694 -1.880 1.00 50.00 N ATOM 0 H ARG A 17 -14.479 -15.113 2.893 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.354 -14.912 2.765 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.238 -16.402 1.151 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.941 -16.459 0.741 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.921 -13.880 0.758 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.176 -13.968 0.896 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.285 -15.553 -1.194 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -16.923 -14.963 -1.394 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.881 -12.579 -1.444 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -15.446 -13.297 -4.089 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -13.699 -13.468 -4.295 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -13.076 -13.778 -0.870 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -12.370 -13.738 -2.489 1.00 50.00 H new ATOM 292 N PHE A 18 -16.022 -17.757 3.732 1.00 16.66 N ATOM 293 CA PHE A 18 -16.369 -19.069 4.349 1.00 16.66 C ATOM 294 C PHE A 18 -17.036 -18.837 5.705 1.00 16.66 C ATOM 295 O PHE A 18 -18.093 -19.364 5.985 1.00 16.66 O ATOM 296 CB PHE A 18 -15.098 -19.897 4.538 1.00 16.66 C ATOM 297 CG PHE A 18 -14.659 -20.455 3.206 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.285 -21.591 2.680 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.624 -19.834 2.495 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.878 -22.108 1.445 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.217 -20.351 1.260 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.842 -21.487 0.734 1.00 16.66 C ATOM 0 H PHE A 18 -15.024 -17.558 3.668 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.057 -19.606 3.696 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.308 -19.278 4.963 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.281 -20.709 5.242 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.083 -22.069 3.228 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.141 -18.957 2.900 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.362 -22.985 1.040 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.419 -19.872 0.712 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.526 -21.885 -0.219 1.00 16.66 H new ATOM 312 N ASP A 19 -16.427 -18.052 6.546 1.00 16.66 N ATOM 313 CA ASP A 19 -17.034 -17.789 7.882 1.00 16.66 C ATOM 314 C ASP A 19 -18.452 -17.246 7.685 1.00 16.66 C ATOM 315 O ASP A 19 -18.646 -16.102 7.321 1.00 16.66 O ATOM 316 CB ASP A 19 -16.182 -16.771 8.644 1.00 16.66 C ATOM 317 CG ASP A 19 -16.404 -16.956 10.140 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.135 -17.863 10.491 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.838 -16.197 10.907 1.00 16.66 O ATOM 0 H ASP A 19 -15.539 -17.582 6.369 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.075 -18.713 8.459 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.128 -16.906 8.401 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.451 -15.758 8.346 1.00 16.66 H new ATOM 324 N ALA A 20 -19.445 -18.067 7.902 1.00 16.66 N ATOM 325 CA ALA A 20 -20.856 -17.618 7.704 1.00 16.66 C ATOM 326 C ALA A 20 -21.267 -16.600 8.774 1.00 16.66 C ATOM 327 O ALA A 20 -21.789 -15.548 8.462 1.00 16.66 O ATOM 328 CB ALA A 20 -21.786 -18.830 7.780 1.00 50.00 C ATOM 0 H ALA A 20 -19.340 -19.034 8.209 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.932 -17.142 6.727 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.817 -18.507 7.636 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.517 -19.544 7.002 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.687 -19.304 8.757 1.00 50.00 H new ATOM 334 N ASN A 21 -21.054 -16.893 10.030 1.00 16.66 N ATOM 335 CA ASN A 21 -21.461 -15.920 11.085 1.00 16.66 C ATOM 336 C ASN A 21 -20.332 -14.915 11.322 1.00 16.66 C ATOM 337 O ASN A 21 -20.568 -13.768 11.649 1.00 16.66 O ATOM 338 CB ASN A 21 -21.804 -16.660 12.385 1.00 16.66 C ATOM 339 CG ASN A 21 -20.567 -17.349 12.962 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.653 -17.682 12.236 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.529 -17.572 14.246 1.00 16.66 N ATOM 0 H ASN A 21 -20.621 -17.753 10.368 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.349 -15.382 10.753 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.207 -15.956 13.114 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.581 -17.400 12.193 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.720 -18.035 14.659 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.309 -17.283 14.837 1.00 16.66 H new ATOM 348 N GLY A 22 -19.108 -15.327 11.144 1.00 16.66 N ATOM 349 CA GLY A 22 -17.973 -14.382 11.343 1.00 16.66 C ATOM 350 C GLY A 22 -17.434 -14.497 12.769 1.00 16.66 C ATOM 351 O GLY A 22 -17.011 -13.522 13.361 1.00 16.66 O ATOM 0 H GLY A 22 -18.844 -16.274 10.870 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.180 -14.599 10.628 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.303 -13.361 11.152 1.00 16.66 H new ATOM 355 N ASP A 23 -17.429 -15.676 13.325 1.00 16.66 N ATOM 356 CA ASP A 23 -16.899 -15.833 14.709 1.00 16.66 C ATOM 357 C ASP A 23 -15.401 -16.152 14.641 1.00 16.66 C ATOM 358 O ASP A 23 -14.758 -16.372 15.648 1.00 16.66 O ATOM 359 CB ASP A 23 -17.647 -16.952 15.443 1.00 16.66 C ATOM 360 CG ASP A 23 -17.444 -18.287 14.723 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.103 -18.264 13.555 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.642 -19.312 15.354 1.00 16.66 O ATOM 0 H ASP A 23 -17.766 -16.532 12.885 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.048 -14.904 15.260 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.288 -17.026 16.469 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.710 -16.716 15.493 1.00 16.66 H new ATOM 367 N GLY A 24 -14.838 -16.159 13.460 1.00 16.66 N ATOM 368 CA GLY A 24 -13.380 -16.441 13.326 1.00 16.66 C ATOM 369 C GLY A 24 -13.145 -17.929 13.056 1.00 16.66 C ATOM 370 O GLY A 24 -12.031 -18.354 12.824 1.00 16.66 O ATOM 0 H GLY A 24 -15.327 -15.981 12.583 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -12.962 -15.847 12.513 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.861 -16.144 14.237 1.00 16.66 H new ATOM 374 N LYS A 25 -14.174 -18.732 13.097 1.00 16.66 N ATOM 375 CA LYS A 25 -13.979 -20.188 12.855 1.00 16.66 C ATOM 376 C LYS A 25 -15.014 -20.697 11.847 1.00 16.66 C ATOM 377 O LYS A 25 -16.162 -20.276 11.839 1.00 16.66 O ATOM 378 CB LYS A 25 -14.133 -20.950 14.174 1.00 50.00 C ATOM 379 CG LYS A 25 -15.547 -20.758 14.718 1.00 50.00 C ATOM 380 CD LYS A 25 -15.859 -21.867 15.725 1.00 50.00 C ATOM 381 CE LYS A 25 -17.375 -22.047 15.832 1.00 50.00 C ATOM 382 NZ LYS A 25 -17.971 -22.076 14.468 1.00 50.00 N ATOM 0 H LYS A 25 -15.134 -18.444 13.286 1.00 16.66 H new ATOM 0 HA LYS A 25 -12.980 -20.351 12.452 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -13.934 -22.010 14.018 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.402 -20.592 14.899 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -15.635 -19.782 15.196 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.269 -20.779 13.901 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.393 -22.800 15.410 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.442 -21.615 16.700 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.605 -22.972 16.360 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -17.808 -21.232 16.412 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -18.909 -22.524 14.508 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.067 -21.104 14.110 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.354 -22.620 13.831 1.00 50.00 H new ATOM 396 N ILE A 26 -14.610 -21.609 11.002 1.00 16.66 N ATOM 397 CA ILE A 26 -15.547 -22.170 9.989 1.00 16.66 C ATOM 398 C ILE A 26 -15.858 -23.629 10.327 1.00 16.66 C ATOM 399 O ILE A 26 -14.976 -24.413 10.618 1.00 16.66 O ATOM 400 CB ILE A 26 -14.902 -22.095 8.607 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.164 -20.764 8.460 1.00 16.66 C ATOM 402 CG2 ILE A 26 -15.988 -22.197 7.532 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.562 -20.673 7.058 1.00 16.66 C ATOM 0 H ILE A 26 -13.665 -21.991 10.971 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.472 -21.594 9.993 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.196 -22.917 8.491 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.850 -19.934 8.628 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.378 -20.686 9.212 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.529 -22.144 6.545 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.515 -23.145 7.636 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.694 -21.375 7.649 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.035 -19.725 6.949 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -12.863 -21.496 6.908 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.358 -20.733 6.316 1.00 16.66 H new ATOM 415 N SER A 27 -17.106 -23.994 10.288 1.00 16.66 N ATOM 416 CA SER A 27 -17.496 -25.396 10.601 1.00 16.66 C ATOM 417 C SER A 27 -17.863 -26.110 9.304 1.00 16.66 C ATOM 418 O SER A 27 -18.054 -25.488 8.277 1.00 16.66 O ATOM 419 CB SER A 27 -18.707 -25.390 11.535 1.00 50.00 C ATOM 420 OG SER A 27 -19.893 -25.246 10.768 1.00 50.00 O ATOM 0 H SER A 27 -17.881 -23.375 10.050 1.00 16.66 H new ATOM 0 HA SER A 27 -16.666 -25.911 11.086 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.742 -26.316 12.109 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.623 -24.573 12.252 1.00 50.00 H new ATOM 0 HG SER A 27 -20.670 -25.244 11.365 1.00 50.00 H new ATOM 426 N ALA A 28 -17.973 -27.408 9.333 1.00 16.66 N ATOM 427 CA ALA A 28 -18.336 -28.139 8.092 1.00 16.66 C ATOM 428 C ALA A 28 -19.562 -27.477 7.471 1.00 16.66 C ATOM 429 O ALA A 28 -19.617 -27.235 6.283 1.00 16.66 O ATOM 430 CB ALA A 28 -18.651 -29.599 8.424 1.00 50.00 C ATOM 0 H ALA A 28 -17.828 -27.990 10.158 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.503 -28.108 7.390 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.917 -30.131 7.510 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.776 -30.067 8.875 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.485 -29.641 9.124 1.00 50.00 H new ATOM 436 N ALA A 29 -20.548 -27.180 8.268 1.00 16.66 N ATOM 437 CA ALA A 29 -21.770 -26.529 7.724 1.00 16.66 C ATOM 438 C ALA A 29 -21.380 -25.233 7.016 1.00 16.66 C ATOM 439 O ALA A 29 -21.892 -24.913 5.962 1.00 16.66 O ATOM 440 CB ALA A 29 -22.739 -26.220 8.866 1.00 50.00 C ATOM 0 H ALA A 29 -20.561 -27.360 9.272 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.255 -27.199 7.014 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.633 -25.743 8.465 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.016 -27.147 9.369 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.259 -25.550 9.579 1.00 50.00 H new ATOM 446 N GLU A 30 -20.477 -24.486 7.584 1.00 16.66 N ATOM 447 CA GLU A 30 -20.057 -23.215 6.937 1.00 16.66 C ATOM 448 C GLU A 30 -19.164 -23.531 5.739 1.00 16.66 C ATOM 449 O GLU A 30 -19.423 -23.104 4.631 1.00 16.66 O ATOM 450 CB GLU A 30 -19.290 -22.353 7.943 1.00 16.66 C ATOM 451 CG GLU A 30 -20.231 -21.935 9.077 1.00 16.66 C ATOM 452 CD GLU A 30 -19.476 -21.044 10.067 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.449 -21.466 10.544 1.00 16.66 O ATOM 454 OE2 GLU A 30 -19.939 -19.956 10.333 1.00 16.66 O ATOM 0 H GLU A 30 -20.013 -24.700 8.467 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.938 -22.668 6.599 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.444 -22.910 8.345 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.885 -21.470 7.448 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.090 -21.400 8.672 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.617 -22.818 9.587 1.00 16.66 H new ATOM 461 N LEU A 31 -18.115 -24.273 5.950 1.00 16.66 N ATOM 462 CA LEU A 31 -17.208 -24.611 4.820 1.00 16.66 C ATOM 463 C LEU A 31 -17.999 -25.378 3.765 1.00 16.66 C ATOM 464 O LEU A 31 -17.916 -25.099 2.584 1.00 16.66 O ATOM 465 CB LEU A 31 -16.057 -25.480 5.334 1.00 16.66 C ATOM 466 CG LEU A 31 -14.969 -25.583 4.262 1.00 16.66 C ATOM 467 CD1 LEU A 31 -13.654 -26.017 4.913 1.00 16.66 C ATOM 468 CD2 LEU A 31 -15.382 -26.616 3.212 1.00 16.66 C ATOM 0 H LEU A 31 -17.846 -24.660 6.855 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.801 -23.699 4.383 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.643 -25.050 6.246 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.425 -26.474 5.589 1.00 16.66 H new ATOM 0 HG LEU A 31 -14.837 -24.612 3.784 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -12.878 -26.091 4.151 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -13.359 -25.282 5.662 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.787 -26.988 5.390 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -14.607 -26.689 2.449 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -15.514 -27.587 3.689 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -16.320 -26.309 2.749 1.00 16.66 H new ATOM 480 N GLY A 32 -18.775 -26.335 4.184 1.00 16.66 N ATOM 481 CA GLY A 32 -19.582 -27.115 3.212 1.00 16.66 C ATOM 482 C GLY A 32 -20.572 -26.180 2.520 1.00 16.66 C ATOM 483 O GLY A 32 -20.747 -26.223 1.318 1.00 16.66 O ATOM 0 H GLY A 32 -18.885 -26.611 5.160 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.931 -27.586 2.475 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.116 -27.916 3.724 1.00 16.66 H new ATOM 487 N GLU A 33 -21.221 -25.337 3.270 1.00 16.66 N ATOM 488 CA GLU A 33 -22.202 -24.399 2.661 1.00 16.66 C ATOM 489 C GLU A 33 -21.507 -23.552 1.599 1.00 16.66 C ATOM 490 O GLU A 33 -22.036 -23.328 0.528 1.00 16.66 O ATOM 491 CB GLU A 33 -22.777 -23.491 3.746 1.00 50.00 C ATOM 492 CG GLU A 33 -24.048 -24.121 4.321 1.00 50.00 C ATOM 493 CD GLU A 33 -24.784 -23.090 5.178 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.296 -21.976 5.280 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.824 -23.431 5.719 1.00 50.00 O ATOM 0 H GLU A 33 -21.114 -25.257 4.281 1.00 16.66 H new ATOM 0 HA GLU A 33 -23.009 -24.966 2.198 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.042 -23.343 4.537 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.001 -22.508 3.331 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.693 -24.466 3.513 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.794 -24.995 4.921 1.00 50.00 H new ATOM 502 N ALA A 34 -20.322 -23.090 1.875 1.00 16.66 N ATOM 503 CA ALA A 34 -19.598 -22.273 0.866 1.00 16.66 C ATOM 504 C ALA A 34 -19.123 -23.197 -0.250 1.00 16.66 C ATOM 505 O ALA A 34 -19.171 -22.862 -1.418 1.00 16.66 O ATOM 506 CB ALA A 34 -18.392 -21.596 1.521 1.00 50.00 C ATOM 0 H ALA A 34 -19.825 -23.242 2.753 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.258 -21.505 0.462 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.863 -20.998 0.779 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.732 -20.951 2.331 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.720 -22.356 1.920 1.00 50.00 H new ATOM 512 N LEU A 35 -18.665 -24.363 0.106 1.00 99.99 N ATOM 513 CA LEU A 35 -18.185 -25.326 -0.921 1.00 99.99 C ATOM 514 C LEU A 35 -19.316 -25.629 -1.905 1.00 99.99 C ATOM 515 O LEU A 35 -19.085 -25.858 -3.075 1.00 99.99 O ATOM 516 CB LEU A 35 -17.743 -26.622 -0.238 1.00 99.99 C ATOM 517 CG LEU A 35 -16.219 -26.629 -0.094 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.770 -27.967 0.500 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.575 -26.441 -1.469 1.00 99.99 C ATOM 0 H LEU A 35 -18.602 -24.692 1.069 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.342 -24.892 -1.459 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.212 -26.707 0.742 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -18.068 -27.483 -0.823 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.913 -25.816 0.565 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.685 -27.973 0.603 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.228 -28.102 1.480 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -16.077 -28.779 -0.159 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.490 -26.446 -1.366 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.881 -27.253 -2.128 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.895 -25.489 -1.894 1.00 99.99 H new ATOM 531 N LYS A 36 -20.537 -25.636 -1.443 1.00 99.99 N ATOM 532 CA LYS A 36 -21.675 -25.928 -2.361 1.00 99.99 C ATOM 533 C LYS A 36 -21.491 -25.155 -3.667 1.00 99.99 C ATOM 534 O LYS A 36 -21.954 -25.565 -4.712 1.00 99.99 O ATOM 535 CB LYS A 36 -22.985 -25.504 -1.698 1.00 99.99 C ATOM 536 CG LYS A 36 -23.942 -26.695 -1.645 1.00 99.99 C ATOM 537 CD LYS A 36 -25.124 -26.359 -0.734 1.00 99.99 C ATOM 538 CE LYS A 36 -24.986 -27.124 0.584 1.00 99.99 C ATOM 539 NZ LYS A 36 -26.060 -28.152 0.677 1.00 99.99 N ATOM 0 H LYS A 36 -20.795 -25.453 -0.473 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.704 -26.997 -2.574 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.792 -25.135 -0.691 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.438 -24.685 -2.256 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -24.298 -26.934 -2.647 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -23.421 -27.577 -1.273 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -25.156 -25.286 -0.543 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -26.061 -26.623 -1.224 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -24.007 -27.600 0.640 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -25.054 -26.435 1.426 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.966 -28.672 1.573 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -26.990 -27.687 0.642 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -25.975 -28.816 -0.119 1.00 99.99 H new ATOM 553 N THR A 37 -20.820 -24.037 -3.616 1.00 99.99 N ATOM 554 CA THR A 37 -20.609 -23.237 -4.854 1.00 99.99 C ATOM 555 C THR A 37 -20.073 -24.151 -5.955 1.00 99.99 C ATOM 556 O THR A 37 -20.244 -23.893 -7.130 1.00 99.99 O ATOM 557 CB THR A 37 -19.603 -22.119 -4.571 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.646 -21.168 -5.625 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.193 -22.705 -4.468 1.00 99.99 C ATOM 0 H THR A 37 -20.409 -23.643 -2.770 1.00 99.99 H new ATOM 0 HA THR A 37 -21.552 -22.796 -5.176 1.00 99.99 H new ATOM 0 HB THR A 37 -19.859 -21.633 -3.630 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.895 -20.291 -5.265 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.480 -21.905 -4.266 1.00 99.99 H new ATOM 0 HG22 THR A 37 -18.160 -23.433 -3.658 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.933 -23.195 -5.407 1.00 99.99 H new ATOM 567 N LEU A 38 -19.429 -25.220 -5.580 1.00 16.66 N ATOM 568 CA LEU A 38 -18.883 -26.155 -6.601 1.00 16.66 C ATOM 569 C LEU A 38 -20.036 -26.742 -7.416 1.00 16.66 C ATOM 570 O LEU A 38 -19.903 -27.015 -8.593 1.00 16.66 O ATOM 571 CB LEU A 38 -18.121 -27.285 -5.905 1.00 50.00 C ATOM 572 CG LEU A 38 -16.809 -26.741 -5.335 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.945 -27.903 -4.840 1.00 50.00 C ATOM 574 CD2 LEU A 38 -16.055 -25.976 -6.425 1.00 50.00 C ATOM 0 H LEU A 38 -19.257 -25.487 -4.611 1.00 16.66 H new ATOM 0 HA LEU A 38 -18.205 -25.617 -7.263 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.729 -27.709 -5.106 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.917 -28.089 -6.612 1.00 50.00 H new ATOM 0 HG LEU A 38 -17.027 -26.070 -4.504 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -15.011 -27.515 -4.434 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.480 -28.448 -4.062 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.728 -28.575 -5.671 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -15.121 -25.589 -6.018 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.838 -26.647 -7.257 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.668 -25.147 -6.778 1.00 50.00 H new ATOM 586 N GLY A 39 -21.168 -26.936 -6.799 1.00 16.66 N ATOM 587 CA GLY A 39 -22.333 -27.504 -7.534 1.00 16.66 C ATOM 588 C GLY A 39 -22.057 -28.969 -7.877 1.00 16.66 C ATOM 589 O GLY A 39 -22.819 -29.606 -8.578 1.00 16.66 O ATOM 0 H GLY A 39 -21.337 -26.725 -5.815 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -23.234 -27.426 -6.925 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.514 -26.934 -8.445 1.00 16.66 H new ATOM 593 N SER A 40 -20.974 -29.510 -7.391 1.00 16.66 N ATOM 594 CA SER A 40 -20.653 -30.932 -7.693 1.00 16.66 C ATOM 595 C SER A 40 -19.750 -31.495 -6.595 1.00 16.66 C ATOM 596 O SER A 40 -18.705 -32.056 -6.863 1.00 16.66 O ATOM 597 CB SER A 40 -19.930 -31.011 -9.038 1.00 16.66 C ATOM 598 OG SER A 40 -20.834 -31.467 -10.035 1.00 16.66 O ATOM 0 H SER A 40 -20.298 -29.028 -6.798 1.00 16.66 H new ATOM 0 HA SER A 40 -21.574 -31.513 -7.738 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.536 -30.032 -9.309 1.00 16.66 H new ATOM 0 HB3 SER A 40 -19.079 -31.688 -8.966 1.00 16.66 H new ATOM 0 HG SER A 40 -21.709 -31.047 -9.900 1.00 16.66 H new ATOM 604 N ILE A 41 -20.141 -31.350 -5.359 1.00 16.66 N ATOM 605 CA ILE A 41 -19.302 -31.879 -4.247 1.00 16.66 C ATOM 606 C ILE A 41 -20.199 -32.568 -3.213 1.00 16.66 C ATOM 607 O ILE A 41 -21.410 -32.485 -3.273 1.00 16.66 O ATOM 608 CB ILE A 41 -18.532 -30.722 -3.593 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.295 -31.272 -2.878 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.423 -29.999 -2.577 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.347 -30.120 -2.545 1.00 16.66 C ATOM 0 H ILE A 41 -21.004 -30.889 -5.071 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.589 -32.605 -4.637 1.00 16.66 H new ATOM 0 HB ILE A 41 -18.230 -30.017 -4.368 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.589 -31.791 -1.966 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.790 -32.002 -3.511 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.865 -29.181 -2.121 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.302 -29.600 -3.083 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.736 -30.700 -1.804 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.466 -30.510 -2.036 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -16.043 -29.621 -3.465 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.855 -29.407 -1.896 1.00 16.66 H new ATOM 623 N THR A 42 -19.613 -33.243 -2.266 1.00 16.66 N ATOM 624 CA THR A 42 -20.427 -33.934 -1.226 1.00 16.66 C ATOM 625 C THR A 42 -19.970 -33.464 0.151 1.00 16.66 C ATOM 626 O THR A 42 -18.928 -32.855 0.293 1.00 16.66 O ATOM 627 CB THR A 42 -20.236 -35.459 -1.324 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.429 -35.909 -0.243 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.554 -35.824 -2.644 1.00 16.66 C ATOM 0 H THR A 42 -18.603 -33.347 -2.166 1.00 16.66 H new ATOM 0 HA THR A 42 -21.480 -33.697 -1.380 1.00 16.66 H new ATOM 0 HB THR A 42 -21.214 -35.938 -1.281 1.00 16.66 H new ATOM 0 HG1 THR A 42 -18.922 -36.700 -0.521 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.425 -36.905 -2.700 1.00 16.66 H new ATOM 0 HG22 THR A 42 -20.171 -35.488 -3.477 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.579 -35.339 -2.696 1.00 16.66 H new ATOM 637 N PRO A 43 -20.754 -33.773 1.188 1.00 16.66 N ATOM 638 CA PRO A 43 -20.413 -33.402 2.560 1.00 16.66 C ATOM 639 C PRO A 43 -19.208 -34.208 3.040 1.00 16.66 C ATOM 640 O PRO A 43 -18.393 -33.738 3.808 1.00 16.66 O ATOM 641 CB PRO A 43 -21.661 -33.781 3.357 1.00 50.00 C ATOM 642 CG PRO A 43 -22.311 -34.849 2.544 1.00 50.00 C ATOM 643 CD PRO A 43 -22.028 -34.508 1.108 1.00 50.00 C ATOM 0 HA PRO A 43 -20.147 -32.350 2.665 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.402 -34.142 4.353 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.323 -32.925 3.490 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -21.911 -35.831 2.798 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.384 -34.884 2.732 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -21.940 -35.402 0.490 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.820 -33.897 0.674 1.00 50.00 H new ATOM 651 N ASP A 44 -19.102 -35.428 2.590 1.00 16.66 N ATOM 652 CA ASP A 44 -17.962 -36.287 3.012 1.00 16.66 C ATOM 653 C ASP A 44 -16.641 -35.659 2.567 1.00 16.66 C ATOM 654 O ASP A 44 -15.623 -35.828 3.207 1.00 16.66 O ATOM 655 CB ASP A 44 -18.107 -37.672 2.380 1.00 50.00 C ATOM 656 CG ASP A 44 -19.389 -38.332 2.890 1.00 50.00 C ATOM 657 OD1 ASP A 44 -19.888 -37.899 3.916 1.00 50.00 O ATOM 658 OD2 ASP A 44 -19.850 -39.262 2.247 1.00 50.00 O ATOM 0 H ASP A 44 -19.759 -35.868 1.946 1.00 16.66 H new ATOM 0 HA ASP A 44 -17.966 -36.377 4.098 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.136 -37.587 1.294 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.244 -38.289 2.628 1.00 50.00 H new ATOM 663 N GLU A 45 -16.641 -34.928 1.484 1.00 16.66 N ATOM 664 CA GLU A 45 -15.375 -34.294 1.029 1.00 16.66 C ATOM 665 C GLU A 45 -15.166 -33.014 1.829 1.00 16.66 C ATOM 666 O GLU A 45 -14.058 -32.652 2.173 1.00 16.66 O ATOM 667 CB GLU A 45 -15.475 -33.959 -0.461 1.00 16.66 C ATOM 668 CG GLU A 45 -15.707 -35.243 -1.259 1.00 16.66 C ATOM 669 CD GLU A 45 -15.499 -34.963 -2.749 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.236 -33.820 -3.085 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.606 -35.896 -3.527 1.00 16.66 O ATOM 0 H GLU A 45 -17.457 -34.745 0.900 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.537 -34.974 1.182 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.292 -33.259 -0.633 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.561 -33.470 -0.797 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.020 -36.020 -0.925 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.717 -35.614 -1.085 1.00 16.66 H new ATOM 678 N VAL A 46 -16.232 -32.331 2.135 1.00 16.66 N ATOM 679 CA VAL A 46 -16.112 -31.076 2.923 1.00 16.66 C ATOM 680 C VAL A 46 -15.651 -31.418 4.337 1.00 16.66 C ATOM 681 O VAL A 46 -14.888 -30.695 4.947 1.00 16.66 O ATOM 682 CB VAL A 46 -17.471 -30.380 2.982 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.403 -29.204 3.960 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.831 -29.867 1.588 1.00 50.00 C ATOM 0 H VAL A 46 -17.183 -32.589 1.872 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.388 -30.412 2.451 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.230 -31.085 3.321 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.373 -28.708 4.001 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -17.141 -29.571 4.952 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.647 -28.494 3.624 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.800 -29.369 1.623 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -17.072 -29.160 1.253 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.878 -30.705 0.893 1.00 50.00 H new ATOM 694 N LYS A 47 -16.101 -32.525 4.859 1.00 16.66 N ATOM 695 CA LYS A 47 -15.681 -32.923 6.230 1.00 16.66 C ATOM 696 C LYS A 47 -14.212 -33.337 6.193 1.00 16.66 C ATOM 697 O LYS A 47 -13.452 -33.055 7.099 1.00 16.66 O ATOM 698 CB LYS A 47 -16.535 -34.099 6.709 1.00 16.66 C ATOM 699 CG LYS A 47 -17.950 -33.608 7.022 1.00 16.66 C ATOM 700 CD LYS A 47 -18.772 -34.759 7.602 1.00 16.66 C ATOM 701 CE LYS A 47 -20.238 -34.336 7.710 1.00 50.00 C ATOM 702 NZ LYS A 47 -21.097 -35.548 7.829 1.00 50.00 N ATOM 0 H LYS A 47 -16.741 -33.170 4.395 1.00 16.66 H new ATOM 0 HA LYS A 47 -15.813 -32.086 6.916 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -16.569 -34.874 5.943 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.090 -34.548 7.597 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -17.911 -32.781 7.731 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -18.424 -33.229 6.116 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -18.683 -35.640 6.966 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.389 -35.035 8.584 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -20.379 -33.691 8.577 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -20.526 -33.757 6.832 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -22.094 -35.261 7.902 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -20.970 -36.147 6.989 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -20.827 -36.083 8.679 1.00 50.00 H new ATOM 716 N HIS A 48 -13.807 -33.996 5.145 1.00 16.66 N ATOM 717 CA HIS A 48 -12.386 -34.423 5.037 1.00 16.66 C ATOM 718 C HIS A 48 -11.501 -33.185 4.884 1.00 16.66 C ATOM 719 O HIS A 48 -10.408 -33.123 5.410 1.00 16.66 O ATOM 720 CB HIS A 48 -12.217 -35.326 3.815 1.00 16.66 C ATOM 721 CG HIS A 48 -10.787 -35.780 3.722 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.106 -35.836 2.516 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.894 -36.205 4.675 1.00 16.66 C ATOM 724 CE1 HIS A 48 -8.862 -36.277 2.772 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.680 -36.518 4.073 1.00 50.00 N ATOM 0 H HIS A 48 -14.400 -34.258 4.357 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.098 -34.972 5.934 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -12.879 -36.188 3.892 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.499 -34.788 2.910 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -10.103 -36.284 5.732 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.102 -36.419 2.018 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.833 -36.858 4.527 1.00 50.00 H new ATOM 733 N MET A 49 -11.969 -32.193 4.174 1.00 16.66 N ATOM 734 CA MET A 49 -11.156 -30.962 4.000 1.00 16.66 C ATOM 735 C MET A 49 -10.897 -30.348 5.371 1.00 16.66 C ATOM 736 O MET A 49 -9.785 -29.991 5.708 1.00 16.66 O ATOM 737 CB MET A 49 -11.922 -29.968 3.130 1.00 16.66 C ATOM 738 CG MET A 49 -11.663 -30.274 1.654 1.00 16.66 C ATOM 739 SD MET A 49 -11.848 -28.761 0.680 1.00 16.66 S ATOM 740 CE MET A 49 -12.576 -29.524 -0.790 1.00 16.66 C ATOM 0 H MET A 49 -12.877 -32.185 3.710 1.00 16.66 H new ATOM 0 HA MET A 49 -10.209 -31.205 3.519 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.989 -30.030 3.343 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.609 -28.950 3.361 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.659 -30.680 1.527 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.361 -31.033 1.301 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.776 -28.756 -1.537 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.882 -30.258 -1.200 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.509 -30.018 -0.519 1.00 16.66 H new ATOM 750 N MET A 50 -11.920 -30.229 6.168 1.00 16.66 N ATOM 751 CA MET A 50 -11.746 -29.646 7.523 1.00 16.66 C ATOM 752 C MET A 50 -10.799 -30.530 8.329 1.00 16.66 C ATOM 753 O MET A 50 -9.866 -30.062 8.946 1.00 16.66 O ATOM 754 CB MET A 50 -13.106 -29.580 8.216 1.00 16.66 C ATOM 755 CG MET A 50 -13.868 -28.351 7.720 1.00 16.66 C ATOM 756 SD MET A 50 -15.256 -28.018 8.830 1.00 16.66 S ATOM 757 CE MET A 50 -14.304 -27.220 10.145 1.00 50.00 C ATOM 0 H MET A 50 -12.872 -30.512 5.937 1.00 16.66 H new ATOM 0 HA MET A 50 -11.328 -28.642 7.448 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.677 -30.485 8.008 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.974 -29.528 9.297 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.203 -27.488 7.682 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.231 -28.519 6.706 1.00 16.66 H new ATOM 0 HE1 MET A 50 -14.985 -26.815 10.893 1.00 50.00 H new ATOM 0 HE2 MET A 50 -13.645 -27.952 10.613 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.707 -26.412 9.723 1.00 50.00 H new ATOM 767 N ALA A 51 -11.029 -31.811 8.320 1.00 16.66 N ATOM 768 CA ALA A 51 -10.140 -32.734 9.077 1.00 16.66 C ATOM 769 C ALA A 51 -8.705 -32.575 8.572 1.00 16.66 C ATOM 770 O ALA A 51 -7.757 -32.951 9.233 1.00 16.66 O ATOM 771 CB ALA A 51 -10.602 -34.178 8.861 1.00 50.00 C ATOM 0 H ALA A 51 -11.796 -32.261 7.820 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.183 -32.497 10.140 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.952 -34.855 9.415 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.627 -34.289 9.215 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.557 -34.419 7.799 1.00 50.00 H new ATOM 777 N GLU A 52 -8.542 -32.016 7.404 1.00 16.66 N ATOM 778 CA GLU A 52 -7.172 -31.825 6.853 1.00 16.66 C ATOM 779 C GLU A 52 -6.717 -30.392 7.129 1.00 16.66 C ATOM 780 O GLU A 52 -5.560 -30.134 7.399 1.00 16.66 O ATOM 781 CB GLU A 52 -7.190 -32.071 5.343 1.00 16.66 C ATOM 782 CG GLU A 52 -7.130 -33.576 5.072 1.00 16.66 C ATOM 783 CD GLU A 52 -6.521 -33.819 3.690 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.240 -32.848 3.008 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.345 -34.974 3.337 1.00 16.66 O ATOM 0 H GLU A 52 -9.300 -31.683 6.808 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.485 -32.527 7.326 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -8.094 -31.647 4.905 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.343 -31.572 4.872 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.532 -34.071 5.837 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -8.130 -34.006 5.122 1.00 16.66 H new ATOM 792 N ILE A 53 -7.625 -29.461 7.064 1.00 16.66 N ATOM 793 CA ILE A 53 -7.267 -28.041 7.322 1.00 16.66 C ATOM 794 C ILE A 53 -7.240 -27.781 8.828 1.00 16.66 C ATOM 795 O ILE A 53 -6.469 -26.980 9.318 1.00 16.66 O ATOM 796 CB ILE A 53 -8.318 -27.144 6.678 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.362 -27.411 5.174 1.00 16.66 C ATOM 798 CG2 ILE A 53 -7.957 -25.684 6.936 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.520 -26.632 4.552 1.00 50.00 C ATOM 0 H ILE A 53 -8.607 -29.624 6.842 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.284 -27.829 6.902 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.298 -27.355 7.107 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.420 -27.113 4.713 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.485 -28.478 4.987 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.705 -25.038 6.478 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -7.928 -25.501 8.010 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -6.979 -25.469 6.505 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.552 -26.822 3.479 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.458 -26.952 5.005 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.377 -25.566 4.727 1.00 50.00 H new ATOM 811 N ASP A 54 -8.076 -28.454 9.563 1.00 16.66 N ATOM 812 CA ASP A 54 -8.116 -28.262 11.036 1.00 16.66 C ATOM 813 C ASP A 54 -6.737 -28.579 11.623 1.00 16.66 C ATOM 814 O ASP A 54 -6.368 -29.724 11.788 1.00 16.66 O ATOM 815 CB ASP A 54 -9.166 -29.214 11.608 1.00 16.66 C ATOM 816 CG ASP A 54 -9.708 -28.668 12.929 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.278 -27.602 13.330 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.555 -29.322 13.515 1.00 16.66 O ATOM 0 H ASP A 54 -8.741 -29.137 9.201 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.374 -27.233 11.287 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -9.981 -29.339 10.895 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -8.727 -30.199 11.766 1.00 16.66 H new ATOM 823 N THR A 55 -5.968 -27.568 11.928 1.00 16.66 N ATOM 824 CA THR A 55 -4.606 -27.799 12.489 1.00 16.66 C ATOM 825 C THR A 55 -4.697 -28.328 13.920 1.00 16.66 C ATOM 826 O THR A 55 -4.037 -29.281 14.283 1.00 16.66 O ATOM 827 CB THR A 55 -3.831 -26.481 12.492 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.537 -25.521 13.264 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.676 -25.972 11.057 1.00 50.00 C ATOM 0 H THR A 55 -6.226 -26.588 11.812 1.00 16.66 H new ATOM 0 HA THR A 55 -4.094 -28.536 11.871 1.00 16.66 H new ATOM 0 HB THR A 55 -2.844 -26.641 12.925 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.488 -25.758 13.291 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.123 -25.033 11.062 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.133 -26.709 10.466 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.661 -25.811 10.620 1.00 50.00 H new ATOM 837 N ASP A 56 -5.503 -27.716 14.739 1.00 16.66 N ATOM 838 CA ASP A 56 -5.623 -28.188 16.150 1.00 16.66 C ATOM 839 C ASP A 56 -6.661 -29.310 16.226 1.00 16.66 C ATOM 840 O ASP A 56 -6.501 -30.271 16.953 1.00 16.66 O ATOM 841 CB ASP A 56 -6.039 -27.018 17.050 1.00 16.66 C ATOM 842 CG ASP A 56 -7.544 -26.771 16.925 1.00 16.66 C ATOM 843 OD1 ASP A 56 -7.980 -26.403 15.847 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.233 -26.955 17.914 1.00 16.66 O ATOM 0 H ASP A 56 -6.083 -26.913 14.497 1.00 16.66 H new ATOM 0 HA ASP A 56 -4.661 -28.571 16.492 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -5.783 -27.237 18.087 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.490 -26.119 16.769 1.00 16.66 H new ATOM 849 N GLY A 57 -7.712 -29.203 15.465 1.00 16.66 N ATOM 850 CA GLY A 57 -8.750 -30.273 15.476 1.00 16.66 C ATOM 851 C GLY A 57 -9.948 -29.858 16.336 1.00 16.66 C ATOM 852 O GLY A 57 -10.640 -30.694 16.882 1.00 16.66 O ATOM 0 H GLY A 57 -7.899 -28.422 14.836 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.080 -30.476 14.457 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.322 -31.198 15.863 1.00 16.66 H new ATOM 856 N ASP A 58 -10.218 -28.585 16.456 1.00 16.66 N ATOM 857 CA ASP A 58 -11.390 -28.163 17.276 1.00 16.66 C ATOM 858 C ASP A 58 -12.665 -28.321 16.444 1.00 16.66 C ATOM 859 O ASP A 58 -13.760 -28.101 16.920 1.00 16.66 O ATOM 860 CB ASP A 58 -11.238 -26.702 17.712 1.00 50.00 C ATOM 861 CG ASP A 58 -11.450 -25.779 16.512 1.00 50.00 C ATOM 862 OD1 ASP A 58 -10.853 -26.033 15.482 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.205 -24.829 16.646 1.00 50.00 O ATOM 0 H ASP A 58 -9.685 -27.828 16.028 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.447 -28.788 18.167 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -11.961 -26.469 18.494 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.247 -26.541 18.136 1.00 50.00 H new ATOM 868 N GLY A 59 -12.529 -28.710 15.203 1.00 16.66 N ATOM 869 CA GLY A 59 -13.730 -28.891 14.342 1.00 16.66 C ATOM 870 C GLY A 59 -13.928 -27.657 13.459 1.00 16.66 C ATOM 871 O GLY A 59 -14.821 -27.614 12.636 1.00 16.66 O ATOM 0 H GLY A 59 -11.637 -28.910 14.751 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.612 -29.779 13.720 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.612 -29.051 14.962 1.00 16.66 H new ATOM 875 N PHE A 60 -13.116 -26.649 13.625 1.00 16.66 N ATOM 876 CA PHE A 60 -13.287 -25.426 12.792 1.00 16.66 C ATOM 877 C PHE A 60 -11.942 -24.926 12.257 1.00 16.66 C ATOM 878 O PHE A 60 -10.876 -25.191 12.808 1.00 16.66 O ATOM 879 CB PHE A 60 -13.924 -24.320 13.630 1.00 50.00 C ATOM 880 CG PHE A 60 -15.137 -24.862 14.342 1.00 50.00 C ATOM 881 CD1 PHE A 60 -14.992 -25.533 15.562 1.00 50.00 C ATOM 882 CD2 PHE A 60 -16.407 -24.693 13.783 1.00 50.00 C ATOM 883 CE1 PHE A 60 -16.119 -26.033 16.222 1.00 50.00 C ATOM 884 CE2 PHE A 60 -17.533 -25.193 14.442 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.391 -25.864 15.662 1.00 50.00 C ATOM 0 H PHE A 60 -12.348 -26.619 14.296 1.00 16.66 H new ATOM 0 HA PHE A 60 -13.928 -25.682 11.948 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.205 -23.938 14.354 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.208 -23.483 12.992 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -14.011 -25.664 15.993 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -16.518 -24.176 12.841 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -16.008 -26.550 17.164 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -18.514 -25.062 14.010 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.262 -26.251 16.171 1.00 50.00 H new ATOM 895 N ILE A 61 -11.991 -24.182 11.184 1.00 16.66 N ATOM 896 CA ILE A 61 -10.751 -23.630 10.593 1.00 16.66 C ATOM 897 C ILE A 61 -10.710 -22.125 10.867 1.00 16.66 C ATOM 898 O ILE A 61 -11.660 -21.413 10.605 1.00 16.66 O ATOM 899 CB ILE A 61 -10.755 -23.873 9.083 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.038 -25.351 8.802 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.391 -23.492 8.504 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.017 -26.222 9.538 1.00 16.66 C ATOM 0 H ILE A 61 -12.849 -23.934 10.691 1.00 16.66 H new ATOM 0 HA ILE A 61 -9.879 -24.114 11.032 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.530 -23.264 8.618 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.047 -25.606 9.125 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -10.989 -25.543 7.730 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.392 -23.664 7.428 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.193 -22.439 8.703 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.616 -24.101 8.969 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.222 -27.273 9.335 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.013 -25.975 9.194 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.088 -26.039 10.610 1.00 16.66 H new ATOM 914 N SER A 62 -9.623 -21.633 11.385 1.00 16.66 N ATOM 915 CA SER A 62 -9.528 -20.176 11.664 1.00 16.66 C ATOM 916 C SER A 62 -8.779 -19.507 10.516 1.00 16.66 C ATOM 917 O SER A 62 -8.179 -20.166 9.691 1.00 16.66 O ATOM 918 CB SER A 62 -8.766 -19.954 12.973 1.00 16.66 C ATOM 919 OG SER A 62 -8.273 -21.196 13.451 1.00 16.66 O ATOM 0 H SER A 62 -8.795 -22.177 11.628 1.00 16.66 H new ATOM 0 HA SER A 62 -10.526 -19.748 11.756 1.00 16.66 H new ATOM 0 HB2 SER A 62 -7.940 -19.261 12.812 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.423 -19.501 13.716 1.00 16.66 H new ATOM 0 HG SER A 62 -7.784 -21.053 14.288 1.00 16.66 H new ATOM 925 N PHE A 63 -8.805 -18.208 10.449 1.00 16.66 N ATOM 926 CA PHE A 63 -8.085 -17.527 9.343 1.00 16.66 C ATOM 927 C PHE A 63 -6.636 -17.997 9.347 1.00 16.66 C ATOM 928 O PHE A 63 -6.062 -18.299 8.318 1.00 16.66 O ATOM 929 CB PHE A 63 -8.126 -16.015 9.535 1.00 16.66 C ATOM 930 CG PHE A 63 -7.428 -15.370 8.368 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.874 -15.630 7.067 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.330 -14.530 8.579 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.224 -15.045 5.977 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.678 -13.946 7.488 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.126 -14.203 6.186 1.00 16.66 C ATOM 0 H PHE A 63 -9.288 -17.594 11.105 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.563 -17.771 8.394 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.157 -15.668 9.599 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.638 -15.738 10.469 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.720 -16.282 6.906 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -5.986 -14.332 9.583 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.569 -15.243 4.973 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.830 -13.297 7.649 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.624 -13.751 5.343 1.00 16.66 H new ATOM 945 N GLN A 64 -6.043 -18.069 10.504 1.00 16.66 N ATOM 946 CA GLN A 64 -4.634 -18.529 10.594 1.00 16.66 C ATOM 947 C GLN A 64 -4.528 -19.933 9.995 1.00 16.66 C ATOM 948 O GLN A 64 -3.687 -20.201 9.159 1.00 16.66 O ATOM 949 CB GLN A 64 -4.218 -18.563 12.064 1.00 16.66 C ATOM 950 CG GLN A 64 -2.714 -18.826 12.166 1.00 16.66 C ATOM 951 CD GLN A 64 -1.947 -17.604 11.659 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.266 -16.485 12.007 1.00 50.00 O ATOM 953 NE2 GLN A 64 -0.941 -17.771 10.845 1.00 50.00 N ATOM 0 H GLN A 64 -6.477 -17.827 11.395 1.00 16.66 H new ATOM 0 HA GLN A 64 -3.980 -17.851 10.045 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.465 -17.616 12.544 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.770 -19.341 12.591 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.440 -19.037 13.200 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.447 -19.705 11.580 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.672 -18.710 10.552 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.423 -16.962 10.501 1.00 50.00 H new ATOM 962 N GLU A 65 -5.382 -20.830 10.411 1.00 16.66 N ATOM 963 CA GLU A 65 -5.342 -22.211 9.861 1.00 16.66 C ATOM 964 C GLU A 65 -5.577 -22.153 8.353 1.00 16.66 C ATOM 965 O GLU A 65 -4.874 -22.771 7.578 1.00 16.66 O ATOM 966 CB GLU A 65 -6.444 -23.044 10.513 1.00 16.66 C ATOM 967 CG GLU A 65 -5.992 -23.508 11.899 1.00 16.66 C ATOM 968 CD GLU A 65 -7.125 -24.289 12.576 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.264 -24.066 12.231 1.00 16.66 O ATOM 970 OE2 GLU A 65 -6.834 -25.095 13.431 1.00 16.66 O ATOM 0 H GLU A 65 -6.106 -20.663 11.110 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.372 -22.664 10.066 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.357 -22.454 10.597 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.678 -23.907 9.889 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.105 -24.136 11.812 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.715 -22.648 12.509 1.00 16.66 H new ATOM 977 N PHE A 66 -6.560 -21.409 7.936 1.00 16.66 N ATOM 978 CA PHE A 66 -6.851 -21.297 6.481 1.00 16.66 C ATOM 979 C PHE A 66 -5.645 -20.679 5.778 1.00 16.66 C ATOM 980 O PHE A 66 -5.335 -21.006 4.650 1.00 16.66 O ATOM 981 CB PHE A 66 -8.078 -20.405 6.282 1.00 16.66 C ATOM 982 CG PHE A 66 -8.338 -20.220 4.806 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.737 -19.158 4.118 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.183 -21.105 4.125 1.00 16.66 C ATOM 985 CE1 PHE A 66 -7.980 -18.982 2.751 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.426 -20.928 2.758 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.825 -19.868 2.071 1.00 16.66 C ATOM 0 H PHE A 66 -7.178 -20.871 8.543 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.049 -22.284 6.062 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -8.948 -20.854 6.761 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -7.917 -19.437 6.757 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.086 -18.475 4.643 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.647 -21.924 4.654 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.516 -18.163 2.221 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.078 -21.610 2.233 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.013 -19.733 1.016 1.00 16.66 H new ATOM 997 N THR A 67 -4.955 -19.793 6.442 1.00 16.66 N ATOM 998 CA THR A 67 -3.761 -19.160 5.820 1.00 16.66 C ATOM 999 C THR A 67 -2.648 -20.203 5.707 1.00 16.66 C ATOM 1000 O THR A 67 -2.033 -20.360 4.670 1.00 16.66 O ATOM 1001 CB THR A 67 -3.288 -17.994 6.693 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.177 -16.896 6.536 1.00 50.00 O ATOM 1003 CG2 THR A 67 -1.878 -17.575 6.274 1.00 50.00 C ATOM 0 H THR A 67 -5.168 -19.481 7.389 1.00 16.66 H new ATOM 0 HA THR A 67 -4.015 -18.785 4.829 1.00 16.66 H new ATOM 0 HB THR A 67 -3.274 -18.306 7.737 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.000 -17.066 7.041 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.545 -16.745 6.897 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.197 -18.417 6.396 1.00 50.00 H new ATOM 0 HG23 THR A 67 -1.886 -17.264 5.229 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.388 -20.919 6.767 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.317 -21.953 6.721 1.00 25.00 C ATOM 1013 C ASP A 68 -1.661 -22.989 5.653 1.00 25.00 C ATOM 1014 O ASP A 68 -0.805 -23.463 4.934 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.212 -22.637 8.086 1.00 25.00 C ATOM 1016 CG ASP A 68 0.052 -23.497 8.129 1.00 25.00 C ATOM 1017 OD1 ASP A 68 0.747 -23.545 7.127 1.00 50.00 O ATOM 1018 OD2 ASP A 68 0.303 -24.095 9.162 1.00 50.00 O ATOM 0 H ASP A 68 -2.871 -20.832 7.661 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.364 -21.484 6.478 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -1.183 -21.889 8.878 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -2.092 -23.255 8.264 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.912 -23.342 5.541 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.317 -24.341 4.520 1.00 25.00 C ATOM 1025 C PHE A 69 -3.423 -23.637 3.163 1.00 25.00 C ATOM 1026 O PHE A 69 -3.058 -24.180 2.139 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.665 -24.956 4.943 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.518 -25.260 3.735 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.155 -24.216 3.062 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.662 -26.577 3.290 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.943 -24.487 1.937 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.450 -26.851 2.167 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.090 -25.805 1.490 1.00 50.00 C ATOM 0 H PHE A 69 -3.672 -22.978 6.116 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.583 -25.143 4.436 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.491 -25.870 5.510 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.193 -24.267 5.603 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.040 -23.200 3.409 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.166 -27.382 3.812 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.436 -23.680 1.415 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.565 -27.868 1.822 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.697 -26.016 0.622 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.919 -22.431 3.152 1.00 16.66 N ATOM 1044 CA GLY A 70 -4.047 -21.687 1.867 1.00 16.66 C ATOM 1045 C GLY A 70 -2.661 -21.509 1.245 1.00 16.66 C ATOM 1046 O GLY A 70 -2.520 -21.374 0.045 1.00 16.66 O ATOM 0 H GLY A 70 -4.242 -21.928 3.978 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.698 -22.230 1.182 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.508 -20.715 2.041 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.634 -21.512 2.051 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.259 -21.346 1.504 1.00 25.00 C ATOM 1052 C ARG A 71 0.192 -22.661 0.869 1.00 25.00 C ATOM 1053 O ARG A 71 0.886 -22.677 -0.128 1.00 25.00 O ATOM 1054 CB ARG A 71 0.700 -20.969 2.636 1.00 50.00 C ATOM 1055 CG ARG A 71 0.454 -19.516 3.047 1.00 50.00 C ATOM 1056 CD ARG A 71 1.548 -19.069 4.019 1.00 50.00 C ATOM 1057 NE ARG A 71 1.628 -20.032 5.152 1.00 50.00 N ATOM 1058 CZ ARG A 71 2.499 -19.846 6.107 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.539 -20.628 6.203 1.00 50.00 N ATOM 1060 NH2 ARG A 71 2.328 -18.878 6.966 1.00 50.00 N ATOM 0 H ARG A 71 -1.689 -21.622 3.064 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.257 -20.557 0.752 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.551 -21.630 3.490 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.732 -21.097 2.311 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.450 -18.873 2.167 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.525 -19.420 3.516 1.00 50.00 H new ATOM 0 HD2 ARG A 71 2.507 -19.016 3.504 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.331 -18.068 4.393 1.00 50.00 H new ATOM 0 HE ARG A 71 1.002 -20.837 5.182 1.00 50.00 H new ATOM 0 HH11 ARG A 71 3.672 -21.385 5.532 1.00 50.00 H new ATOM 0 HH12 ARG A 71 4.219 -20.483 6.949 1.00 50.00 H new ATOM 0 HH21 ARG A 71 1.514 -18.267 6.891 1.00 50.00 H new ATOM 0 HH22 ARG A 71 3.008 -18.732 7.712 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.203 -23.767 1.437 1.00 25.00 N ATOM 1075 CA ALA A 72 0.197 -25.083 0.865 1.00 25.00 C ATOM 1076 C ALA A 72 -0.475 -25.264 -0.498 1.00 25.00 C ATOM 1077 O ALA A 72 -0.073 -26.089 -1.295 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.248 -26.204 1.807 1.00 50.00 C ATOM 0 H ALA A 72 -0.786 -23.816 2.273 1.00 25.00 H new ATOM 0 HA ALA A 72 1.280 -25.118 0.747 1.00 25.00 H new ATOM 0 HB1 ALA A 72 0.044 -27.168 1.389 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.226 -26.071 2.780 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.331 -26.173 1.924 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.493 -24.496 -0.769 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.193 -24.616 -2.079 1.00 25.00 C ATOM 1086 C ASN A 73 -2.729 -23.244 -2.491 1.00 25.00 C ATOM 1087 O ASN A 73 -3.890 -23.090 -2.816 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.356 -25.603 -1.951 1.00 25.00 C ATOM 1089 CG ASN A 73 -4.191 -25.248 -0.721 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -4.975 -24.319 -0.750 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -4.058 -25.955 0.368 1.00 50.00 N ATOM 0 H ASN A 73 -1.871 -23.789 -0.139 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.495 -24.978 -2.834 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -3.976 -25.569 -2.847 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -2.976 -26.621 -1.864 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -4.612 -25.728 1.194 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -3.401 -26.734 0.393 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.891 -22.244 -2.480 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.349 -20.883 -2.869 1.00 25.00 C ATOM 1100 C ARG A 74 -3.127 -20.984 -4.176 1.00 25.00 C ATOM 1101 O ARG A 74 -4.120 -20.315 -4.380 1.00 25.00 O ATOM 1102 CB ARG A 74 -1.139 -19.967 -3.062 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.406 -19.803 -1.730 1.00 25.00 C ATOM 1104 CD ARG A 74 0.662 -18.715 -1.866 1.00 25.00 C ATOM 1105 NE ARG A 74 1.644 -19.113 -2.912 1.00 25.00 N ATOM 1106 CZ ARG A 74 2.419 -18.213 -3.455 1.00 50.00 C ATOM 1107 NH1 ARG A 74 3.687 -18.172 -3.148 1.00 50.00 N ATOM 1108 NH2 ARG A 74 1.925 -17.355 -4.305 1.00 50.00 N ATOM 0 H ARG A 74 -0.908 -22.312 -2.218 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.986 -20.469 -2.087 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -0.467 -20.388 -3.810 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -1.461 -18.994 -3.434 1.00 25.00 H new ATOM 0 HG2 ARG A 74 -1.113 -19.537 -0.944 1.00 25.00 H new ATOM 0 HG3 ARG A 74 0.056 -20.746 -1.438 1.00 25.00 H new ATOM 0 HD2 ARG A 74 0.197 -17.765 -2.131 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.169 -18.567 -0.913 1.00 25.00 H new ATOM 0 HE ARG A 74 1.711 -20.088 -3.204 1.00 25.00 H new ATOM 0 HH11 ARG A 74 4.073 -18.843 -2.484 1.00 50.00 H new ATOM 0 HH12 ARG A 74 4.292 -17.469 -3.572 1.00 50.00 H new ATOM 0 HH21 ARG A 74 0.934 -17.388 -4.545 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.530 -16.652 -4.729 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.680 -21.826 -5.061 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.381 -21.992 -6.359 1.00 25.00 C ATOM 1124 C GLY A 75 -4.834 -22.396 -6.103 1.00 25.00 C ATOM 1125 O GLY A 75 -5.702 -22.185 -6.926 1.00 25.00 O ATOM 0 H GLY A 75 -1.853 -22.410 -4.939 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.345 -21.062 -6.926 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.881 -22.751 -6.960 1.00 25.00 H new ATOM 1129 N LEU A 76 -5.104 -22.974 -4.966 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.499 -23.390 -4.652 1.00 25.00 C ATOM 1131 C LEU A 76 -7.312 -22.164 -4.240 1.00 25.00 C ATOM 1132 O LEU A 76 -8.433 -21.974 -4.666 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.487 -24.400 -3.502 1.00 25.00 C ATOM 1134 CG LEU A 76 -6.067 -25.774 -4.029 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.104 -26.791 -2.886 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.030 -26.215 -5.133 1.00 50.00 C ATOM 0 H LEU A 76 -4.417 -23.177 -4.239 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.948 -23.849 -5.533 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.798 -24.072 -2.724 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.476 -24.460 -3.048 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.056 -25.714 -4.432 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.805 -27.770 -3.260 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.418 -26.479 -2.099 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.115 -26.850 -2.484 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.730 -27.194 -5.508 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.041 -26.275 -4.731 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -7.005 -25.491 -5.948 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.754 -21.336 -3.404 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.489 -20.123 -2.948 1.00 25.00 C ATOM 1150 C LEU A 77 -7.685 -19.162 -4.123 1.00 25.00 C ATOM 1151 O LEU A 77 -8.558 -18.316 -4.105 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.689 -19.430 -1.844 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.420 -20.426 -0.713 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.919 -19.676 0.523 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.714 -21.169 -0.366 1.00 50.00 C ATOM 0 H LEU A 77 -5.818 -21.446 -3.015 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.465 -20.416 -2.561 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.748 -19.053 -2.243 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.241 -18.571 -1.464 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.664 -21.142 -1.035 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.728 -20.387 1.327 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.997 -19.148 0.279 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.674 -18.959 0.844 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -7.522 -21.878 0.439 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.470 -20.452 -0.046 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -8.072 -21.706 -1.244 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.886 -19.283 -5.147 1.00 25.00 N ATOM 1168 CA LYS A 78 -7.038 -18.375 -6.318 1.00 25.00 C ATOM 1169 C LYS A 78 -8.185 -18.873 -7.199 1.00 25.00 C ATOM 1170 O LYS A 78 -8.729 -18.141 -8.002 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.739 -18.363 -7.126 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.611 -17.789 -6.266 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.438 -17.388 -7.164 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.878 -18.633 -7.854 1.00 50.00 C ATOM 1175 NZ LYS A 78 -2.196 -18.234 -9.117 1.00 50.00 N ATOM 0 H LYS A 78 -6.136 -19.970 -5.223 1.00 25.00 H new ATOM 0 HA LYS A 78 -7.257 -17.365 -5.972 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.488 -19.374 -7.447 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -5.864 -17.764 -8.028 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.969 -16.923 -5.709 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -4.286 -18.528 -5.533 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.767 -16.663 -7.908 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -2.660 -16.906 -6.572 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.176 -19.143 -7.194 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -3.683 -19.336 -8.069 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -1.815 -19.079 -9.588 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -2.878 -17.765 -9.747 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -1.419 -17.578 -8.900 1.00 50.00 H new ATOM 1189 N ASP A 79 -8.556 -20.115 -7.052 1.00 25.00 N ATOM 1190 CA ASP A 79 -9.667 -20.668 -7.875 1.00 25.00 C ATOM 1191 C ASP A 79 -10.997 -20.414 -7.167 1.00 25.00 C ATOM 1192 O ASP A 79 -12.003 -20.139 -7.790 1.00 25.00 O ATOM 1193 CB ASP A 79 -9.462 -22.171 -8.043 1.00 25.00 C ATOM 1194 CG ASP A 79 -8.530 -22.431 -9.227 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -8.246 -21.489 -9.950 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -8.116 -23.566 -9.392 1.00 50.00 O ATOM 0 H ASP A 79 -8.136 -20.772 -6.395 1.00 25.00 H new ATOM 0 HA ASP A 79 -9.678 -20.186 -8.852 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -9.037 -22.595 -7.133 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -10.421 -22.663 -8.207 1.00 25.00 H new ATOM 1201 N VAL A 80 -11.006 -20.500 -5.868 1.00 25.00 N ATOM 1202 CA VAL A 80 -12.267 -20.260 -5.114 1.00 25.00 C ATOM 1203 C VAL A 80 -12.595 -18.770 -5.160 1.00 25.00 C ATOM 1204 O VAL A 80 -13.741 -18.374 -5.234 1.00 25.00 O ATOM 1205 CB VAL A 80 -12.087 -20.697 -3.660 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -13.362 -20.389 -2.875 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -11.806 -22.200 -3.612 1.00 50.00 C ATOM 0 H VAL A 80 -10.194 -20.726 -5.294 1.00 25.00 H new ATOM 0 HA VAL A 80 -13.079 -20.833 -5.563 1.00 25.00 H new ATOM 0 HB VAL A 80 -11.250 -20.157 -3.217 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -13.235 -20.700 -1.838 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -13.561 -19.318 -2.911 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -14.200 -20.929 -3.316 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -11.677 -22.513 -2.576 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -12.643 -22.741 -4.053 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -10.897 -22.418 -4.173 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.592 -17.940 -5.116 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.838 -16.471 -5.158 1.00 25.00 C ATOM 1219 C ALA A 81 -12.699 -16.136 -6.375 1.00 25.00 C ATOM 1220 O ALA A 81 -13.687 -15.435 -6.277 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.503 -15.730 -5.255 1.00 50.00 C ATOM 0 H ALA A 81 -10.612 -18.214 -5.053 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.356 -16.163 -4.250 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.685 -14.656 -5.286 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -9.890 -15.970 -4.386 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.982 -16.036 -6.162 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.330 -16.631 -7.521 1.00 25.00 N ATOM 1228 CA LYS A 82 -13.123 -16.343 -8.751 1.00 25.00 C ATOM 1229 C LYS A 82 -14.535 -16.907 -8.594 1.00 25.00 C ATOM 1230 O LYS A 82 -15.482 -16.400 -9.164 1.00 25.00 O ATOM 1231 CB LYS A 82 -12.445 -16.996 -9.958 1.00 25.00 C ATOM 1232 CG LYS A 82 -11.015 -16.469 -10.087 1.00 25.00 C ATOM 1233 CD LYS A 82 -10.350 -17.097 -11.315 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.916 -16.576 -11.438 1.00 50.00 C ATOM 1235 NZ LYS A 82 -8.100 -17.552 -12.215 1.00 50.00 N ATOM 0 H LYS A 82 -11.512 -17.224 -7.662 1.00 25.00 H new ATOM 0 HA LYS A 82 -13.178 -15.265 -8.902 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -12.435 -18.080 -9.841 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -13.007 -16.779 -10.866 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -11.023 -15.383 -10.180 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -10.445 -16.708 -9.189 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -10.348 -18.183 -11.225 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.916 -16.852 -12.214 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.911 -15.605 -11.934 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.484 -16.431 -10.448 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -7.125 -17.200 -12.300 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -8.095 -18.469 -11.724 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -8.509 -17.669 -13.164 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.689 -17.952 -7.827 1.00 25.00 N ATOM 1250 CA ILE A 83 -16.043 -18.542 -7.638 1.00 25.00 C ATOM 1251 C ILE A 83 -16.963 -17.502 -6.999 1.00 25.00 C ATOM 1252 O ILE A 83 -18.150 -17.471 -7.249 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.946 -19.763 -6.721 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -15.179 -20.878 -7.434 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.353 -20.251 -6.374 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.173 -22.134 -6.559 1.00 50.00 C ATOM 0 H ILE A 83 -13.936 -18.422 -7.324 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.446 -18.845 -8.605 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.420 -19.490 -5.806 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.642 -21.095 -8.397 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -14.157 -20.558 -7.637 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.286 -21.121 -5.721 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.899 -19.456 -5.865 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.879 -20.524 -7.289 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.627 -22.929 -7.067 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.690 -21.912 -5.607 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.198 -22.457 -6.379 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.419 -16.654 -6.175 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.254 -15.616 -5.512 1.00 25.00 C ATOM 1270 C PHE A 84 -16.917 -14.242 -6.093 1.00 25.00 C ATOM 1271 O PHE A 84 -17.316 -13.982 -7.217 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.966 -15.622 -4.011 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.293 -16.984 -3.444 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.488 -18.086 -3.757 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.403 -17.143 -2.606 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.794 -19.347 -3.231 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.708 -18.404 -2.081 1.00 50.00 C ATOM 1278 CZ PHE A 84 -17.904 -19.506 -2.393 1.00 50.00 C ATOM 1279 OXT PHE A 84 -16.267 -13.471 -5.406 1.00 99.99 O ATOM 0 H PHE A 84 -15.429 -16.634 -5.931 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.309 -15.830 -5.682 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.918 -15.382 -3.829 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.560 -14.856 -3.512 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.632 -17.963 -4.404 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -19.024 -16.293 -2.365 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -16.173 -20.197 -3.472 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.564 -18.527 -1.435 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.140 -20.479 -1.987 1.00 50.00 H new