USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 ASN : amide:sc= 1.34 K(o=2.3,f=-7.6!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -160:sc= 0.916 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.765 K(o=0.77,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 1.06 (180deg=1.02) USER MOD Single : A 19 TYR OH : rot 100:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -161:sc= -0.619 (180deg=-0.775) USER MOD Single : A 36 SER OG : rot -106:sc= 1.02 USER MOD Single : A 42 GLN : amide:sc= 0.773 K(o=0.77,f=-0.28) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 179:sc= 0 (180deg=-3.49e-05) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 2.19 (180deg=1.98) USER MOD Single : A 60 GLN : amide:sc= 0.633 K(o=0.63,f=-2.9!) USER MOD Single : A 61 SER OG : rot 75:sc= 0.585 USER MOD Single : A 65 THR OG1 : rot 82:sc= 0.715 USER MOD Single : A 68 ASN : amide:sc= -0.0405 X(o=-0.041,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.355 3.500 -13.841 1.00 0.00 N ATOM 70 CA PRO A 6 -31.197 4.831 -14.436 1.00 0.00 C ATOM 71 C PRO A 6 -32.486 5.434 -14.998 1.00 0.00 C ATOM 72 O PRO A 6 -32.715 6.636 -14.842 1.00 0.00 O ATOM 73 CB PRO A 6 -30.157 4.673 -15.554 1.00 0.00 C ATOM 74 CG PRO A 6 -30.296 3.206 -15.947 1.00 0.00 C ATOM 75 CD PRO A 6 -30.592 2.525 -14.613 1.00 0.00 C ATOM 0 HA PRO A 6 -30.889 5.528 -13.656 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.363 5.337 -16.394 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.151 4.904 -15.205 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -31.101 3.054 -16.666 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.384 2.821 -16.404 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -31.161 1.607 -14.758 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.671 2.251 -14.099 1.00 0.00 H new ATOM 83 N VAL A 7 -33.352 4.618 -15.613 1.00 0.00 N ATOM 84 CA VAL A 7 -34.680 5.078 -16.048 1.00 0.00 C ATOM 85 C VAL A 7 -35.414 5.677 -14.856 1.00 0.00 C ATOM 86 O VAL A 7 -35.906 6.796 -14.890 1.00 0.00 O ATOM 87 CB VAL A 7 -35.550 3.965 -16.681 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.859 4.558 -17.195 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.763 3.161 -17.717 1.00 0.00 C ATOM 0 H VAL A 7 -33.159 3.638 -15.821 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.515 5.821 -16.828 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.825 3.234 -15.921 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.466 3.769 -17.639 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.403 5.012 -16.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.644 5.317 -17.947 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.404 2.388 -18.141 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.422 3.826 -18.511 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.902 2.695 -17.238 1.00 0.00 H new ATOM 99 N MET A 8 -35.445 4.915 -13.775 1.00 0.00 N ATOM 100 CA MET A 8 -36.069 5.248 -12.508 1.00 0.00 C ATOM 101 C MET A 8 -35.609 6.563 -11.848 1.00 0.00 C ATOM 102 O MET A 8 -36.470 7.358 -11.466 1.00 0.00 O ATOM 103 CB MET A 8 -35.930 4.006 -11.643 1.00 0.00 C ATOM 104 CG MET A 8 -36.910 3.970 -10.478 1.00 0.00 C ATOM 105 SD MET A 8 -36.251 4.617 -8.918 1.00 0.00 S ATOM 106 CE MET A 8 -37.469 3.943 -7.757 1.00 0.00 C ATOM 0 H MET A 8 -35.009 3.993 -13.759 1.00 0.00 H new ATOM 0 HA MET A 8 -37.118 5.496 -12.667 1.00 0.00 H new ATOM 0 HB2 MET A 8 -36.080 3.122 -12.262 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.913 3.954 -11.255 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.797 4.543 -10.748 1.00 0.00 H new ATOM 0 HG3 MET A 8 -37.231 2.940 -10.322 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.212 4.248 -6.742 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.460 4.321 -8.009 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.468 2.855 -7.820 1.00 0.00 H new ATOM 116 N ILE A 9 -34.303 6.830 -11.692 1.00 0.00 N ATOM 117 CA ILE A 9 -33.824 8.176 -11.309 1.00 0.00 C ATOM 118 C ILE A 9 -34.224 9.296 -12.280 1.00 0.00 C ATOM 119 O ILE A 9 -34.700 10.342 -11.840 1.00 0.00 O ATOM 120 CB ILE A 9 -32.333 8.249 -10.924 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.395 7.618 -11.963 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.130 7.595 -9.549 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.955 8.129 -11.872 1.00 0.00 C ATOM 0 H ILE A 9 -33.562 6.141 -11.823 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.374 8.367 -10.387 1.00 0.00 H new ATOM 0 HB ILE A 9 -32.065 9.305 -10.887 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.397 6.536 -11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.782 7.821 -12.962 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.076 7.645 -9.274 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.725 8.123 -8.804 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.444 6.552 -9.592 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.347 7.642 -12.634 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.941 9.207 -12.031 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.550 7.902 -10.886 1.00 0.00 H new ATOM 135 N LEU A 10 -34.020 9.129 -13.594 1.00 0.00 N ATOM 136 CA LEU A 10 -34.461 10.131 -14.582 1.00 0.00 C ATOM 137 C LEU A 10 -35.956 10.458 -14.493 1.00 0.00 C ATOM 138 O LEU A 10 -36.355 11.622 -14.516 1.00 0.00 O ATOM 139 CB LEU A 10 -33.876 9.777 -15.960 1.00 0.00 C ATOM 140 CG LEU A 10 -34.661 9.740 -17.279 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.697 8.637 -17.378 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.228 11.076 -17.705 1.00 0.00 C ATOM 0 H LEU A 10 -33.556 8.316 -13.998 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.045 11.110 -14.346 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.055 10.476 -16.122 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.434 8.787 -15.849 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.888 9.485 -18.004 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.198 8.694 -18.345 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -35.207 7.668 -17.279 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.432 8.755 -16.581 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -35.767 10.959 -18.645 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -35.911 11.442 -16.939 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.415 11.790 -17.838 1.00 0.00 H new ATOM 154 N ASN A 11 -36.761 9.425 -14.268 1.00 0.00 N ATOM 155 CA ASN A 11 -38.167 9.485 -13.893 1.00 0.00 C ATOM 156 C ASN A 11 -38.395 10.338 -12.625 1.00 0.00 C ATOM 157 O ASN A 11 -39.197 11.265 -12.659 1.00 0.00 O ATOM 158 CB ASN A 11 -38.642 8.025 -13.739 1.00 0.00 C ATOM 159 CG ASN A 11 -39.748 7.834 -12.714 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.889 8.225 -12.916 1.00 0.00 O ATOM 161 ND2 ASN A 11 -39.433 7.277 -11.565 1.00 0.00 N ATOM 0 H ASN A 11 -36.427 8.465 -14.348 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.757 9.988 -14.659 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.992 7.665 -14.706 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.790 7.406 -13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -40.141 7.170 -10.839 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -38.480 6.952 -11.400 1.00 0.00 H new ATOM 168 N GLU A 12 -37.777 9.996 -11.491 1.00 0.00 N ATOM 169 CA GLU A 12 -37.926 10.730 -10.224 1.00 0.00 C ATOM 170 C GLU A 12 -37.585 12.231 -10.308 1.00 0.00 C ATOM 171 O GLU A 12 -38.391 13.080 -9.923 1.00 0.00 O ATOM 172 CB GLU A 12 -37.255 9.966 -9.063 1.00 0.00 C ATOM 173 CG GLU A 12 -35.855 10.411 -8.610 1.00 0.00 C ATOM 174 CD GLU A 12 -35.217 9.412 -7.622 1.00 0.00 C ATOM 175 OE1 GLU A 12 -35.387 8.181 -7.777 1.00 0.00 O ATOM 176 OE2 GLU A 12 -34.508 9.837 -6.677 1.00 0.00 O ATOM 0 H GLU A 12 -37.151 9.193 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 12 -38.991 10.758 -9.995 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.918 10.024 -8.200 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -37.194 8.916 -9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -35.210 10.519 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -35.922 11.392 -8.140 1.00 0.00 H new ATOM 183 N LEU A 13 -36.375 12.556 -10.783 1.00 0.00 N ATOM 184 CA LEU A 13 -35.927 13.919 -11.092 1.00 0.00 C ATOM 185 C LEU A 13 -36.824 14.678 -12.087 1.00 0.00 C ATOM 186 O LEU A 13 -37.075 15.872 -11.905 1.00 0.00 O ATOM 187 CB LEU A 13 -34.448 13.927 -11.484 1.00 0.00 C ATOM 188 CG LEU A 13 -33.499 13.414 -10.375 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.101 13.929 -10.700 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.799 13.884 -8.947 1.00 0.00 C ATOM 0 H LEU A 13 -35.659 11.854 -10.968 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.032 14.492 -10.171 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.316 13.312 -12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.160 14.943 -11.753 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.619 12.331 -10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.401 13.587 -9.938 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.791 13.550 -11.674 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.110 15.019 -10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.066 13.458 -8.262 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.747 14.972 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.798 13.557 -8.659 1.00 0.00 H new ATOM 202 N ARG A 14 -37.272 13.985 -13.148 1.00 0.00 N ATOM 203 CA ARG A 14 -37.996 14.490 -14.336 1.00 0.00 C ATOM 204 C ARG A 14 -37.727 15.965 -14.725 1.00 0.00 C ATOM 205 O ARG A 14 -38.654 16.774 -14.645 1.00 0.00 O ATOM 206 CB ARG A 14 -39.495 14.111 -14.265 1.00 0.00 C ATOM 207 CG ARG A 14 -40.214 14.525 -12.963 1.00 0.00 C ATOM 208 CD ARG A 14 -41.659 14.016 -12.885 1.00 0.00 C ATOM 209 NE ARG A 14 -41.717 12.546 -12.752 1.00 0.00 N ATOM 210 CZ ARG A 14 -42.789 11.795 -12.586 1.00 0.00 C ATOM 211 NH1 ARG A 14 -43.988 12.303 -12.501 1.00 0.00 N ATOM 212 NH2 ARG A 14 -42.687 10.500 -12.502 1.00 0.00 N ATOM 0 H ARG A 14 -37.128 12.977 -13.205 1.00 0.00 H new ATOM 0 HA ARG A 14 -37.560 13.968 -15.188 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.010 14.571 -15.108 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.587 13.032 -14.385 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.654 14.144 -12.109 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.213 15.612 -12.885 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.162 14.478 -12.035 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.201 14.322 -13.780 1.00 0.00 H new ATOM 0 HE ARG A 14 -40.824 12.054 -12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -44.120 13.313 -12.563 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -44.793 11.690 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.771 10.055 -12.564 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -43.523 9.930 -12.374 1.00 0.00 H new ATOM 226 N PRO A 15 -36.493 16.345 -15.139 1.00 0.00 N ATOM 227 CA PRO A 15 -36.121 17.716 -15.543 1.00 0.00 C ATOM 228 C PRO A 15 -36.907 18.343 -16.726 1.00 0.00 C ATOM 229 O PRO A 15 -36.394 18.470 -17.842 1.00 0.00 O ATOM 230 CB PRO A 15 -34.601 17.691 -15.780 1.00 0.00 C ATOM 231 CG PRO A 15 -34.126 16.502 -14.956 1.00 0.00 C ATOM 232 CD PRO A 15 -35.282 15.522 -15.116 1.00 0.00 C ATOM 0 HA PRO A 15 -36.409 18.393 -14.739 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.363 17.567 -16.836 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.130 18.618 -15.454 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -33.189 16.093 -15.333 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.960 16.769 -13.913 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -35.183 14.945 -16.035 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.308 14.808 -14.293 1.00 0.00 H new ATOM 240 N GLY A 16 -38.158 18.758 -16.492 1.00 0.00 N ATOM 241 CA GLY A 16 -39.007 19.504 -17.437 1.00 0.00 C ATOM 242 C GLY A 16 -39.311 18.771 -18.752 1.00 0.00 C ATOM 243 O GLY A 16 -39.345 19.402 -19.811 1.00 0.00 O ATOM 0 H GLY A 16 -38.628 18.578 -15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -39.950 19.743 -16.945 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.520 20.451 -17.670 1.00 0.00 H new ATOM 247 N LEU A 17 -39.464 17.441 -18.702 1.00 0.00 N ATOM 248 CA LEU A 17 -39.213 16.562 -19.853 1.00 0.00 C ATOM 249 C LEU A 17 -40.431 15.857 -20.490 1.00 0.00 C ATOM 250 O LEU A 17 -41.483 15.693 -19.865 1.00 0.00 O ATOM 251 CB LEU A 17 -38.074 15.600 -19.501 1.00 0.00 C ATOM 252 CG LEU A 17 -38.215 14.715 -18.257 1.00 0.00 C ATOM 253 CD1 LEU A 17 -39.290 13.654 -18.405 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.904 13.972 -18.075 1.00 0.00 C ATOM 0 H LEU A 17 -39.765 16.944 -17.864 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.920 17.223 -20.669 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.919 14.944 -20.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -37.166 16.192 -19.384 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.477 15.363 -17.421 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -39.342 13.059 -17.493 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.253 14.134 -18.581 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.048 13.006 -19.247 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.968 13.331 -17.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.706 13.362 -18.956 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.094 14.690 -17.942 1.00 0.00 H new ATOM 266 N LYS A 18 -40.272 15.464 -21.764 1.00 0.00 N ATOM 267 CA LYS A 18 -41.151 14.564 -22.544 1.00 0.00 C ATOM 268 C LYS A 18 -40.401 13.512 -23.365 1.00 0.00 C ATOM 269 O LYS A 18 -39.359 13.817 -23.946 1.00 0.00 O ATOM 270 CB LYS A 18 -42.220 15.310 -23.359 1.00 0.00 C ATOM 271 CG LYS A 18 -41.772 16.490 -24.244 1.00 0.00 C ATOM 272 CD LYS A 18 -41.184 16.140 -25.620 1.00 0.00 C ATOM 273 CE LYS A 18 -42.175 15.379 -26.510 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.679 15.279 -27.904 1.00 0.00 N ATOM 0 H LYS A 18 -39.477 15.784 -22.316 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.695 13.996 -21.789 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.716 14.582 -24.001 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.970 15.683 -22.661 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.630 17.144 -24.398 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -41.028 17.065 -23.693 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -40.879 17.057 -26.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -40.286 15.537 -25.484 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.336 14.379 -26.106 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -43.140 15.886 -26.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -42.328 14.688 -28.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -41.629 16.229 -28.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.732 14.850 -27.905 1.00 0.00 H new ATOM 288 N TYR A 19 -40.929 12.290 -23.431 1.00 0.00 N ATOM 289 CA TYR A 19 -40.314 11.156 -24.133 1.00 0.00 C ATOM 290 C TYR A 19 -41.025 10.867 -25.464 1.00 0.00 C ATOM 291 O TYR A 19 -42.254 10.820 -25.547 1.00 0.00 O ATOM 292 CB TYR A 19 -40.390 9.877 -23.285 1.00 0.00 C ATOM 293 CG TYR A 19 -39.816 9.969 -21.890 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.608 10.523 -20.867 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.525 9.482 -21.597 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.104 10.639 -19.563 1.00 0.00 C ATOM 297 CE2 TYR A 19 -38.005 9.633 -20.299 1.00 0.00 C ATOM 298 CZ TYR A 19 -38.794 10.214 -19.278 1.00 0.00 C ATOM 299 OH TYR A 19 -38.348 10.271 -18.000 1.00 0.00 O ATOM 0 H TYR A 19 -41.817 12.052 -22.989 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.276 11.433 -24.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.436 9.579 -23.207 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.870 9.081 -23.818 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.610 10.861 -21.087 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -37.940 8.997 -22.364 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -40.721 11.054 -18.779 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.000 9.304 -20.081 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.405 9.381 -17.594 1.00 0.00 H new ATOM 309 N ASP A 20 -40.227 10.643 -26.503 1.00 0.00 N ATOM 310 CA ASP A 20 -40.624 10.171 -27.831 1.00 0.00 C ATOM 311 C ASP A 20 -40.203 8.708 -28.017 1.00 0.00 C ATOM 312 O ASP A 20 -39.074 8.322 -27.692 1.00 0.00 O ATOM 313 CB ASP A 20 -39.994 11.034 -28.936 1.00 0.00 C ATOM 314 CG ASP A 20 -40.486 12.487 -28.889 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.649 12.752 -29.280 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.734 13.390 -28.452 1.00 0.00 O ATOM 0 H ASP A 20 -39.220 10.795 -26.439 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.708 10.251 -27.907 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.909 11.016 -28.834 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.230 10.604 -29.909 1.00 0.00 H new ATOM 321 N PHE A 21 -41.105 7.890 -28.563 1.00 0.00 N ATOM 322 CA PHE A 21 -40.865 6.469 -28.811 1.00 0.00 C ATOM 323 C PHE A 21 -40.619 6.209 -30.299 1.00 0.00 C ATOM 324 O PHE A 21 -41.333 6.668 -31.194 1.00 0.00 O ATOM 325 CB PHE A 21 -42.032 5.645 -28.258 1.00 0.00 C ATOM 326 CG PHE A 21 -41.921 4.166 -28.575 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.906 3.389 -27.983 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.801 3.581 -29.503 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.778 2.028 -28.317 1.00 0.00 C ATOM 330 CE2 PHE A 21 -42.673 2.221 -29.836 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.662 1.445 -29.243 1.00 0.00 C ATOM 0 H PHE A 21 -42.034 8.201 -28.848 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.960 6.157 -28.289 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -42.081 5.776 -27.177 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.966 6.029 -28.668 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -40.227 3.837 -27.273 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.576 4.177 -29.961 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -40.001 1.431 -27.862 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -43.351 1.773 -30.547 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.564 0.400 -29.499 1.00 0.00 H new ATOM 341 N LEU A 22 -39.523 5.493 -30.510 1.00 0.00 N ATOM 342 CA LEU A 22 -38.806 5.216 -31.736 1.00 0.00 C ATOM 343 C LEU A 22 -38.493 3.704 -31.712 1.00 0.00 C ATOM 344 O LEU A 22 -38.373 3.065 -30.669 1.00 0.00 O ATOM 345 CB LEU A 22 -37.535 6.095 -31.833 1.00 0.00 C ATOM 346 CG LEU A 22 -37.682 7.612 -32.075 1.00 0.00 C ATOM 347 CD1 LEU A 22 -37.991 8.426 -30.817 1.00 0.00 C ATOM 348 CD2 LEU A 22 -36.361 8.182 -32.604 1.00 0.00 C ATOM 0 H LEU A 22 -39.063 5.038 -29.722 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.391 5.460 -32.623 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.975 5.964 -30.907 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -36.919 5.693 -32.638 1.00 0.00 H new ATOM 0 HG LEU A 22 -38.514 7.699 -32.774 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.078 9.481 -31.078 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -38.929 8.082 -30.382 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -37.186 8.297 -30.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -36.469 9.253 -32.774 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -35.571 8.008 -31.873 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.102 7.690 -33.542 1.00 0.00 H new ATOM 360 N SER A 23 -38.504 3.056 -32.858 1.00 0.00 N ATOM 361 CA SER A 23 -38.394 1.597 -32.965 1.00 0.00 C ATOM 362 C SER A 23 -37.597 1.269 -34.222 1.00 0.00 C ATOM 363 O SER A 23 -38.190 0.965 -35.258 1.00 0.00 O ATOM 364 CB SER A 23 -39.808 1.007 -32.922 1.00 0.00 C ATOM 365 OG SER A 23 -39.766 -0.401 -32.787 1.00 0.00 O ATOM 0 H SER A 23 -38.590 3.525 -33.760 1.00 0.00 H new ATOM 0 HA SER A 23 -37.850 1.145 -32.136 1.00 0.00 H new ATOM 0 HB2 SER A 23 -40.361 1.440 -32.088 1.00 0.00 H new ATOM 0 HB3 SER A 23 -40.345 1.273 -33.833 1.00 0.00 H new ATOM 0 HG SER A 23 -40.680 -0.754 -32.760 1.00 0.00 H new ATOM 490 N PHE A 33 -35.103 -0.888 -30.168 1.00 0.00 N ATOM 491 CA PHE A 33 -36.087 0.086 -29.729 1.00 0.00 C ATOM 492 C PHE A 33 -35.329 1.309 -29.275 1.00 0.00 C ATOM 493 O PHE A 33 -34.315 1.234 -28.581 1.00 0.00 O ATOM 494 CB PHE A 33 -36.965 -0.429 -28.590 1.00 0.00 C ATOM 495 CG PHE A 33 -37.721 -1.701 -28.901 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.051 -2.935 -28.920 1.00 0.00 C ATOM 497 CD2 PHE A 33 -39.101 -1.655 -29.157 1.00 0.00 C ATOM 498 CE1 PHE A 33 -37.752 -4.117 -29.206 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.806 -2.836 -29.436 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.132 -4.070 -29.472 1.00 0.00 C ATOM 0 HA PHE A 33 -36.761 0.305 -30.557 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.338 -0.600 -27.715 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.682 0.347 -28.322 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -35.992 -2.975 -28.714 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -39.621 -0.709 -29.139 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.231 -5.063 -29.222 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -40.869 -2.797 -29.624 1.00 0.00 H new ATOM 0 HZ PHE A 33 -39.672 -4.977 -29.703 1.00 0.00 H new ATOM 510 N VAL A 34 -35.824 2.450 -29.705 1.00 0.00 N ATOM 511 CA VAL A 34 -35.181 3.722 -29.448 1.00 0.00 C ATOM 512 C VAL A 34 -36.114 4.606 -28.618 1.00 0.00 C ATOM 513 O VAL A 34 -37.311 4.727 -28.852 1.00 0.00 O ATOM 514 CB VAL A 34 -34.750 4.279 -30.807 1.00 0.00 C ATOM 515 CG1 VAL A 34 -34.132 5.657 -30.752 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.683 3.409 -31.456 1.00 0.00 C ATOM 0 H VAL A 34 -36.687 2.522 -30.245 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.280 3.648 -28.838 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.684 4.306 -31.368 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.857 5.973 -31.758 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.851 6.362 -30.334 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.242 5.632 -30.123 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.402 3.836 -32.419 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.807 3.364 -30.809 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.075 2.403 -31.605 1.00 0.00 H new ATOM 526 N MET A 35 -35.564 5.240 -27.600 1.00 0.00 N ATOM 527 CA MET A 35 -36.271 6.261 -26.825 1.00 0.00 C ATOM 528 C MET A 35 -35.479 7.544 -26.981 1.00 0.00 C ATOM 529 O MET A 35 -34.286 7.541 -26.689 1.00 0.00 O ATOM 530 CB MET A 35 -36.380 5.828 -25.352 1.00 0.00 C ATOM 531 CG MET A 35 -37.347 4.647 -25.159 1.00 0.00 C ATOM 532 SD MET A 35 -38.904 4.989 -24.279 1.00 0.00 S ATOM 533 CE MET A 35 -39.590 6.358 -25.239 1.00 0.00 C ATOM 0 H MET A 35 -34.611 5.066 -27.280 1.00 0.00 H new ATOM 0 HA MET A 35 -37.292 6.406 -27.180 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.393 5.550 -24.984 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.718 6.673 -24.752 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.594 4.248 -26.143 1.00 0.00 H new ATOM 0 HG3 MET A 35 -36.818 3.861 -24.619 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.339 6.880 -24.644 1.00 0.00 H new ATOM 0 HE2 MET A 35 -38.792 7.050 -25.507 1.00 0.00 H new ATOM 0 HE3 MET A 35 -40.053 5.970 -26.146 1.00 0.00 H new ATOM 543 N SER A 36 -36.102 8.628 -27.442 1.00 0.00 N ATOM 544 CA SER A 36 -35.452 9.941 -27.400 1.00 0.00 C ATOM 545 C SER A 36 -36.260 10.926 -26.573 1.00 0.00 C ATOM 546 O SER A 36 -37.481 10.981 -26.675 1.00 0.00 O ATOM 547 CB SER A 36 -35.089 10.474 -28.784 1.00 0.00 C ATOM 548 OG SER A 36 -34.250 11.606 -28.627 1.00 0.00 O ATOM 0 H SER A 36 -37.040 8.627 -27.843 1.00 0.00 H new ATOM 0 HA SER A 36 -34.496 9.809 -26.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 -34.581 9.704 -29.365 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.991 10.745 -29.334 1.00 0.00 H new ATOM 0 HG SER A 36 -34.756 12.420 -28.832 1.00 0.00 H new ATOM 554 N VAL A 37 -35.590 11.672 -25.699 1.00 0.00 N ATOM 555 CA VAL A 37 -36.239 12.503 -24.674 1.00 0.00 C ATOM 556 C VAL A 37 -35.832 13.959 -24.839 1.00 0.00 C ATOM 557 O VAL A 37 -34.644 14.247 -24.987 1.00 0.00 O ATOM 558 CB VAL A 37 -35.919 12.058 -23.233 1.00 0.00 C ATOM 559 CG1 VAL A 37 -37.032 12.452 -22.258 1.00 0.00 C ATOM 560 CG2 VAL A 37 -35.556 10.595 -23.041 1.00 0.00 C ATOM 0 H VAL A 37 -34.571 11.721 -25.677 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.312 12.382 -24.825 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.004 12.606 -23.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.769 12.121 -21.253 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.154 13.535 -22.263 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -37.966 11.981 -22.563 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -35.353 10.406 -21.987 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -36.385 9.968 -23.369 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -34.669 10.360 -23.629 1.00 0.00 H new ATOM 570 N VAL A 38 -36.798 14.874 -24.748 1.00 0.00 N ATOM 571 CA VAL A 38 -36.534 16.317 -24.677 1.00 0.00 C ATOM 572 C VAL A 38 -36.525 16.650 -23.189 1.00 0.00 C ATOM 573 O VAL A 38 -37.534 16.475 -22.504 1.00 0.00 O ATOM 574 CB VAL A 38 -37.620 17.167 -25.369 1.00 0.00 C ATOM 575 CG1 VAL A 38 -37.277 18.661 -25.294 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.801 16.823 -26.851 1.00 0.00 C ATOM 0 H VAL A 38 -37.790 14.637 -24.721 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.598 16.544 -25.188 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.542 16.941 -24.833 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -38.058 19.239 -25.789 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.206 18.966 -24.250 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -36.323 18.841 -25.790 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.579 17.456 -27.279 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.863 16.992 -27.381 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -38.090 15.777 -26.949 1.00 0.00 H new ATOM 586 N VAL A 39 -35.357 17.051 -22.690 1.00 0.00 N ATOM 587 CA VAL A 39 -35.014 17.195 -21.265 1.00 0.00 C ATOM 588 C VAL A 39 -34.207 18.483 -21.092 1.00 0.00 C ATOM 589 O VAL A 39 -33.324 18.747 -21.908 1.00 0.00 O ATOM 590 CB VAL A 39 -34.174 15.985 -20.777 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.871 16.091 -19.280 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.799 14.631 -21.065 1.00 0.00 C ATOM 0 H VAL A 39 -34.577 17.300 -23.298 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.929 17.234 -20.674 1.00 0.00 H new ATOM 0 HB VAL A 39 -33.252 16.037 -21.356 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -33.281 15.230 -18.966 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.310 17.005 -19.086 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.806 16.114 -18.720 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -34.146 13.842 -20.691 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -35.768 14.565 -20.571 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.932 14.513 -22.140 1.00 0.00 H new ATOM 602 N ASP A 40 -34.492 19.276 -20.051 1.00 0.00 N ATOM 603 CA ASP A 40 -33.977 20.645 -19.812 1.00 0.00 C ATOM 604 C ASP A 40 -34.318 21.654 -20.939 1.00 0.00 C ATOM 605 O ASP A 40 -35.115 22.575 -20.747 1.00 0.00 O ATOM 606 CB ASP A 40 -32.466 20.581 -19.499 1.00 0.00 C ATOM 607 CG ASP A 40 -31.775 21.950 -19.564 1.00 0.00 C ATOM 608 OD1 ASP A 40 -32.128 22.847 -18.763 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.881 22.113 -20.431 1.00 0.00 O ATOM 0 H ASP A 40 -35.121 18.970 -19.309 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.499 21.044 -18.942 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.325 20.157 -18.505 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.984 19.904 -20.205 1.00 0.00 H new ATOM 614 N GLY A 41 -33.752 21.440 -22.125 1.00 0.00 N ATOM 615 CA GLY A 41 -34.048 22.104 -23.403 1.00 0.00 C ATOM 616 C GLY A 41 -33.337 21.438 -24.598 1.00 0.00 C ATOM 617 O GLY A 41 -33.124 22.079 -25.631 1.00 0.00 O ATOM 0 H GLY A 41 -33.015 20.743 -22.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -35.125 22.092 -23.573 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.746 23.150 -23.343 1.00 0.00 H new ATOM 621 N GLN A 42 -32.897 20.186 -24.426 1.00 0.00 N ATOM 622 CA GLN A 42 -32.002 19.415 -25.300 1.00 0.00 C ATOM 623 C GLN A 42 -32.529 17.976 -25.499 1.00 0.00 C ATOM 624 O GLN A 42 -33.423 17.544 -24.770 1.00 0.00 O ATOM 625 CB GLN A 42 -30.545 19.489 -24.775 1.00 0.00 C ATOM 626 CG GLN A 42 -30.360 19.800 -23.270 1.00 0.00 C ATOM 627 CD GLN A 42 -28.908 20.037 -22.861 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.957 19.618 -23.509 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.679 20.742 -21.773 1.00 0.00 N ATOM 0 H GLN A 42 -33.178 19.643 -23.610 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.989 19.859 -26.295 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -30.059 18.537 -24.987 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -30.016 20.252 -25.347 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.947 20.683 -23.017 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -30.761 18.972 -22.686 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.460 21.098 -21.222 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -27.720 20.932 -21.481 1.00 0.00 H new ATOM 638 N PHE A 43 -32.016 17.235 -26.491 1.00 0.00 N ATOM 639 CA PHE A 43 -32.659 16.018 -27.022 1.00 0.00 C ATOM 640 C PHE A 43 -31.708 14.803 -27.030 1.00 0.00 C ATOM 641 O PHE A 43 -30.574 14.905 -27.511 1.00 0.00 O ATOM 642 CB PHE A 43 -33.212 16.356 -28.422 1.00 0.00 C ATOM 643 CG PHE A 43 -34.218 15.391 -29.033 1.00 0.00 C ATOM 644 CD1 PHE A 43 -35.328 14.946 -28.291 1.00 0.00 C ATOM 645 CD2 PHE A 43 -34.103 15.010 -30.385 1.00 0.00 C ATOM 646 CE1 PHE A 43 -36.303 14.123 -28.881 1.00 0.00 C ATOM 647 CE2 PHE A 43 -35.074 14.179 -30.976 1.00 0.00 C ATOM 648 CZ PHE A 43 -36.178 13.739 -30.227 1.00 0.00 C ATOM 0 H PHE A 43 -31.136 17.463 -26.953 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.478 15.715 -26.370 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.678 17.340 -28.371 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.367 16.439 -29.106 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.432 15.240 -27.257 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -33.265 15.357 -30.971 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -37.148 13.786 -28.300 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -34.970 13.879 -32.008 1.00 0.00 H new ATOM 0 HZ PHE A 43 -36.927 13.109 -30.683 1.00 0.00 H new ATOM 658 N PHE A 44 -32.151 13.670 -26.464 1.00 0.00 N ATOM 659 CA PHE A 44 -31.291 12.531 -26.094 1.00 0.00 C ATOM 660 C PHE A 44 -31.867 11.173 -26.501 1.00 0.00 C ATOM 661 O PHE A 44 -32.744 10.638 -25.820 1.00 0.00 O ATOM 662 CB PHE A 44 -31.036 12.543 -24.574 1.00 0.00 C ATOM 663 CG PHE A 44 -30.474 13.837 -24.038 1.00 0.00 C ATOM 664 CD1 PHE A 44 -29.099 14.105 -24.151 1.00 0.00 C ATOM 665 CD2 PHE A 44 -31.333 14.786 -23.450 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.583 15.320 -23.674 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.812 15.995 -22.962 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.437 16.258 -23.069 1.00 0.00 C ATOM 0 H PHE A 44 -33.135 13.515 -26.246 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.359 12.657 -26.645 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.974 12.330 -24.061 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -30.347 11.735 -24.329 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.441 13.378 -24.604 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -32.391 14.584 -23.375 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.529 15.534 -23.772 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -31.468 16.721 -22.505 1.00 0.00 H new ATOM 0 HZ PHE A 44 -29.034 17.184 -22.685 1.00 0.00 H new ATOM 678 N GLU A 45 -31.321 10.605 -27.579 1.00 0.00 N ATOM 679 CA GLU A 45 -31.585 9.273 -28.114 1.00 0.00 C ATOM 680 C GLU A 45 -30.852 8.212 -27.291 1.00 0.00 C ATOM 681 O GLU A 45 -29.665 8.337 -26.974 1.00 0.00 O ATOM 682 CB GLU A 45 -31.099 9.129 -29.566 1.00 0.00 C ATOM 683 CG GLU A 45 -31.753 10.024 -30.624 1.00 0.00 C ATOM 684 CD GLU A 45 -31.486 11.534 -30.474 1.00 0.00 C ATOM 685 OE1 GLU A 45 -30.331 11.942 -30.191 1.00 0.00 O ATOM 686 OE2 GLU A 45 -32.433 12.322 -30.699 1.00 0.00 O ATOM 0 H GLU A 45 -30.631 11.104 -28.141 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.665 9.134 -28.070 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.026 9.319 -29.582 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.243 8.092 -29.867 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -31.405 9.707 -31.607 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -32.830 9.859 -30.598 1.00 0.00 H new ATOM 693 N GLY A 46 -31.569 7.142 -26.985 1.00 0.00 N ATOM 694 CA GLY A 46 -31.081 5.955 -26.314 1.00 0.00 C ATOM 695 C GLY A 46 -31.595 4.700 -27.015 1.00 0.00 C ATOM 696 O GLY A 46 -32.804 4.542 -27.179 1.00 0.00 O ATOM 0 H GLY A 46 -32.561 7.079 -27.212 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -29.991 5.955 -26.307 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.406 5.958 -25.274 1.00 0.00 H new ATOM 700 N SER A 47 -30.695 3.815 -27.445 1.00 0.00 N ATOM 701 CA SER A 47 -31.030 2.636 -28.259 1.00 0.00 C ATOM 702 C SER A 47 -30.776 1.345 -27.489 1.00 0.00 C ATOM 703 O SER A 47 -29.645 1.031 -27.106 1.00 0.00 O ATOM 704 CB SER A 47 -30.249 2.660 -29.568 1.00 0.00 C ATOM 705 OG SER A 47 -30.380 1.417 -30.227 1.00 0.00 O ATOM 0 H SER A 47 -29.699 3.894 -27.238 1.00 0.00 H new ATOM 0 HA SER A 47 -32.094 2.671 -28.493 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.618 3.462 -30.208 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.197 2.868 -29.371 1.00 0.00 H new ATOM 0 HG SER A 47 -29.878 1.438 -31.068 1.00 0.00 H new ATOM 711 N GLY A 48 -31.870 0.646 -27.189 1.00 0.00 N ATOM 712 CA GLY A 48 -31.905 -0.553 -26.360 1.00 0.00 C ATOM 713 C GLY A 48 -32.764 -1.702 -26.889 1.00 0.00 C ATOM 714 O GLY A 48 -33.756 -1.498 -27.589 1.00 0.00 O ATOM 0 H GLY A 48 -32.793 0.913 -27.532 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.885 -0.915 -26.234 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.270 -0.277 -25.370 1.00 0.00 H new ATOM 718 N ARG A 49 -32.371 -2.940 -26.564 1.00 0.00 N ATOM 719 CA ARG A 49 -33.114 -4.175 -26.892 1.00 0.00 C ATOM 720 C ARG A 49 -34.593 -4.192 -26.444 1.00 0.00 C ATOM 721 O ARG A 49 -35.390 -4.899 -27.056 1.00 0.00 O ATOM 722 CB ARG A 49 -32.346 -5.401 -26.365 1.00 0.00 C ATOM 723 CG ARG A 49 -30.955 -5.571 -27.016 1.00 0.00 C ATOM 724 CD ARG A 49 -30.836 -6.833 -27.883 1.00 0.00 C ATOM 725 NE ARG A 49 -31.705 -6.787 -29.079 1.00 0.00 N ATOM 726 CZ ARG A 49 -32.192 -7.825 -29.736 1.00 0.00 C ATOM 727 NH1 ARG A 49 -31.941 -9.056 -29.391 1.00 0.00 N ATOM 728 NH2 ARG A 49 -32.952 -7.643 -30.774 1.00 0.00 N ATOM 0 H ARG A 49 -31.507 -3.121 -26.053 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.171 -4.211 -27.980 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -32.227 -5.311 -25.285 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.938 -6.298 -26.546 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -30.740 -4.696 -27.630 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -30.198 -5.605 -26.233 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -29.799 -6.957 -28.196 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -31.095 -7.706 -27.284 1.00 0.00 H new ATOM 0 HE ARG A 49 -31.953 -5.863 -29.432 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -31.347 -9.249 -28.584 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -32.338 -9.827 -29.927 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -33.174 -6.697 -31.084 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -33.326 -8.446 -31.279 1.00 0.00 H new ATOM 742 N ASN A 50 -34.970 -3.387 -25.441 1.00 0.00 N ATOM 743 CA ASN A 50 -36.322 -2.822 -25.243 1.00 0.00 C ATOM 744 C ASN A 50 -36.249 -1.549 -24.358 1.00 0.00 C ATOM 745 O ASN A 50 -35.144 -1.138 -23.994 1.00 0.00 O ATOM 746 CB ASN A 50 -37.291 -3.889 -24.683 1.00 0.00 C ATOM 747 CG ASN A 50 -38.724 -3.608 -25.111 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.446 -2.839 -24.490 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.158 -4.152 -26.220 1.00 0.00 N ATOM 0 H ASN A 50 -34.318 -3.097 -24.712 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.727 -2.517 -26.208 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.991 -4.877 -25.033 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -37.230 -3.905 -23.595 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.094 -3.934 -26.563 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.560 -4.793 -26.741 1.00 0.00 H new ATOM 756 N LYS A 51 -37.382 -0.935 -23.967 1.00 0.00 N ATOM 757 CA LYS A 51 -37.467 0.306 -23.152 1.00 0.00 C ATOM 758 C LYS A 51 -36.534 0.329 -21.946 1.00 0.00 C ATOM 759 O LYS A 51 -35.777 1.280 -21.817 1.00 0.00 O ATOM 760 CB LYS A 51 -38.899 0.586 -22.677 1.00 0.00 C ATOM 761 CG LYS A 51 -39.824 0.974 -23.846 1.00 0.00 C ATOM 762 CD LYS A 51 -41.312 1.025 -23.459 1.00 0.00 C ATOM 763 CE LYS A 51 -41.920 -0.309 -22.987 1.00 0.00 C ATOM 764 NZ LYS A 51 -41.893 -1.370 -24.031 1.00 0.00 N ATOM 0 H LYS A 51 -38.302 -1.299 -24.216 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.141 1.092 -23.833 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.296 -0.298 -22.178 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.887 1.390 -21.941 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.523 1.949 -24.229 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.692 0.258 -24.657 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.438 1.763 -22.666 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.881 1.380 -24.318 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.376 -0.658 -22.110 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -42.951 -0.141 -22.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -42.591 -2.105 -23.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -42.124 -0.953 -24.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -40.944 -1.794 -24.070 1.00 0.00 H new ATOM 778 N LYS A 52 -36.508 -0.723 -21.119 1.00 0.00 N ATOM 779 CA LYS A 52 -35.623 -0.849 -19.933 1.00 0.00 C ATOM 780 C LYS A 52 -34.118 -0.665 -20.195 1.00 0.00 C ATOM 781 O LYS A 52 -33.361 -0.460 -19.248 1.00 0.00 O ATOM 782 CB LYS A 52 -35.907 -2.169 -19.184 1.00 0.00 C ATOM 783 CG LYS A 52 -35.255 -3.448 -19.756 1.00 0.00 C ATOM 784 CD LYS A 52 -35.733 -3.837 -21.166 1.00 0.00 C ATOM 785 CE LYS A 52 -35.065 -5.111 -21.708 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.442 -6.330 -20.940 1.00 0.00 N ATOM 0 H LYS A 52 -37.112 -1.534 -21.251 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.882 0.001 -19.301 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.577 -2.052 -18.152 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.986 -2.320 -19.159 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -34.174 -3.310 -19.779 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -35.456 -4.277 -19.077 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -36.813 -3.982 -21.148 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -35.533 -3.012 -21.850 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.343 -5.245 -22.753 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.982 -4.989 -21.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.977 -7.161 -21.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -35.139 -6.225 -19.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.474 -6.457 -20.974 1.00 0.00 H new ATOM 800 N LEU A 53 -33.702 -0.700 -21.464 1.00 0.00 N ATOM 801 CA LEU A 53 -32.356 -0.391 -21.943 1.00 0.00 C ATOM 802 C LEU A 53 -32.354 0.869 -22.836 1.00 0.00 C ATOM 803 O LEU A 53 -31.480 1.716 -22.676 1.00 0.00 O ATOM 804 CB LEU A 53 -31.816 -1.663 -22.628 1.00 0.00 C ATOM 805 CG LEU A 53 -30.396 -1.582 -23.218 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.358 -1.042 -22.234 1.00 0.00 C ATOM 807 CD2 LEU A 53 -29.948 -2.977 -23.653 1.00 0.00 C ATOM 0 H LEU A 53 -34.331 -0.959 -22.224 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.685 -0.131 -21.124 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.837 -2.475 -21.901 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.502 -1.935 -23.430 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.452 -0.889 -24.058 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.381 -1.012 -22.716 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.640 -0.036 -21.923 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.312 -1.692 -21.360 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.943 -2.922 -24.071 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.947 -3.644 -22.791 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.635 -3.361 -24.408 1.00 0.00 H new ATOM 819 N ALA A 54 -33.336 1.048 -23.726 1.00 0.00 N ATOM 820 CA ALA A 54 -33.517 2.244 -24.554 1.00 0.00 C ATOM 821 C ALA A 54 -33.605 3.533 -23.712 1.00 0.00 C ATOM 822 O ALA A 54 -32.790 4.440 -23.871 1.00 0.00 O ATOM 823 CB ALA A 54 -34.722 2.007 -25.480 1.00 0.00 C ATOM 0 H ALA A 54 -34.051 0.340 -23.895 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.638 2.408 -25.178 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.877 2.885 -26.107 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.531 1.139 -26.111 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.613 1.829 -24.879 1.00 0.00 H new ATOM 829 N LYS A 55 -34.533 3.586 -22.748 1.00 0.00 N ATOM 830 CA LYS A 55 -34.524 4.541 -21.626 1.00 0.00 C ATOM 831 C LYS A 55 -33.241 4.511 -20.812 1.00 0.00 C ATOM 832 O LYS A 55 -32.831 5.590 -20.449 1.00 0.00 O ATOM 833 CB LYS A 55 -35.717 4.335 -20.694 1.00 0.00 C ATOM 834 CG LYS A 55 -37.010 4.905 -21.225 1.00 0.00 C ATOM 835 CD LYS A 55 -37.452 6.226 -20.591 1.00 0.00 C ATOM 836 CE LYS A 55 -38.968 6.081 -20.580 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.708 7.162 -19.880 1.00 0.00 N ATOM 0 H LYS A 55 -35.331 2.952 -22.724 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.594 5.522 -22.096 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -35.847 3.268 -20.516 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.497 4.794 -19.730 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.908 5.053 -22.300 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -37.800 4.168 -21.078 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -37.047 6.352 -19.587 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.129 7.087 -21.176 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -39.319 6.033 -21.611 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -39.221 5.129 -20.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.708 7.139 -20.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -39.637 7.022 -18.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.298 8.084 -20.133 1.00 0.00 H new ATOM 851 N ALA A 56 -32.612 3.380 -20.467 1.00 0.00 N ATOM 852 CA ALA A 56 -31.387 3.400 -19.657 1.00 0.00 C ATOM 853 C ALA A 56 -30.312 4.275 -20.303 1.00 0.00 C ATOM 854 O ALA A 56 -29.781 5.158 -19.654 1.00 0.00 O ATOM 855 CB ALA A 56 -30.876 1.984 -19.368 1.00 0.00 C ATOM 0 H ALA A 56 -32.928 2.447 -20.733 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.635 3.848 -18.695 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -29.969 2.040 -18.767 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.638 1.426 -18.824 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.657 1.477 -20.308 1.00 0.00 H new ATOM 861 N ARG A 57 -30.046 4.053 -21.593 1.00 0.00 N ATOM 862 CA ARG A 57 -29.261 4.864 -22.532 1.00 0.00 C ATOM 863 C ARG A 57 -29.746 6.318 -22.630 1.00 0.00 C ATOM 864 O ARG A 57 -28.955 7.226 -22.377 1.00 0.00 O ATOM 865 CB ARG A 57 -29.286 4.131 -23.900 1.00 0.00 C ATOM 866 CG ARG A 57 -28.630 2.735 -23.903 1.00 0.00 C ATOM 867 CD ARG A 57 -27.116 2.799 -23.675 1.00 0.00 C ATOM 868 NE ARG A 57 -26.611 1.704 -22.819 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.673 1.649 -21.498 1.00 0.00 C ATOM 870 NH1 ARG A 57 -27.372 2.502 -20.809 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.026 0.743 -20.827 1.00 0.00 N ATOM 0 H ARG A 57 -30.410 3.219 -22.053 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.237 4.956 -22.171 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.322 4.030 -24.222 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.782 4.754 -24.639 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.086 2.121 -23.126 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -28.831 2.245 -24.856 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.608 2.763 -24.639 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.864 3.756 -23.217 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.172 0.914 -23.293 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.892 3.239 -21.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.401 2.434 -19.792 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -25.455 0.055 -21.318 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.089 0.720 -19.809 1.00 0.00 H new ATOM 885 N ALA A 58 -31.010 6.546 -22.995 1.00 0.00 N ATOM 886 CA ALA A 58 -31.617 7.878 -23.118 1.00 0.00 C ATOM 887 C ALA A 58 -31.493 8.694 -21.821 1.00 0.00 C ATOM 888 O ALA A 58 -30.885 9.767 -21.801 1.00 0.00 O ATOM 889 CB ALA A 58 -33.072 7.746 -23.585 1.00 0.00 C ATOM 0 H ALA A 58 -31.658 5.791 -23.219 1.00 0.00 H new ATOM 0 HA ALA A 58 -31.066 8.438 -23.873 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.517 8.737 -23.674 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -33.099 7.247 -24.554 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.635 7.160 -22.859 1.00 0.00 H new ATOM 895 N ALA A 59 -32.003 8.125 -20.722 1.00 0.00 N ATOM 896 CA ALA A 59 -31.732 8.548 -19.349 1.00 0.00 C ATOM 897 C ALA A 59 -30.256 8.834 -19.053 1.00 0.00 C ATOM 898 O ALA A 59 -29.944 9.955 -18.684 1.00 0.00 O ATOM 899 CB ALA A 59 -32.261 7.494 -18.362 1.00 0.00 C ATOM 0 H ALA A 59 -32.639 7.329 -20.770 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.254 9.497 -19.224 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.055 7.816 -17.341 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.336 7.377 -18.496 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.767 6.541 -18.548 1.00 0.00 H new ATOM 905 N GLN A 60 -29.352 7.865 -19.196 1.00 0.00 N ATOM 906 CA GLN A 60 -27.924 8.015 -18.890 1.00 0.00 C ATOM 907 C GLN A 60 -27.278 9.192 -19.636 1.00 0.00 C ATOM 908 O GLN A 60 -26.575 9.997 -19.018 1.00 0.00 O ATOM 909 CB GLN A 60 -27.200 6.682 -19.178 1.00 0.00 C ATOM 910 CG GLN A 60 -27.159 5.806 -17.912 1.00 0.00 C ATOM 911 CD GLN A 60 -26.381 4.509 -18.113 1.00 0.00 C ATOM 912 OE1 GLN A 60 -26.937 3.423 -18.216 1.00 0.00 O ATOM 913 NE2 GLN A 60 -25.068 4.565 -18.188 1.00 0.00 N ATOM 0 H GLN A 60 -29.594 6.934 -19.535 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.824 8.254 -17.831 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.712 6.149 -19.980 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.185 6.880 -19.524 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.707 6.373 -17.098 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -28.178 5.569 -17.607 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.590 5.462 -18.104 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.528 3.711 -18.330 1.00 0.00 H new ATOM 922 N SER A 61 -27.557 9.327 -20.936 1.00 0.00 N ATOM 923 CA SER A 61 -27.174 10.491 -21.750 1.00 0.00 C ATOM 924 C SER A 61 -27.685 11.814 -21.161 1.00 0.00 C ATOM 925 O SER A 61 -26.892 12.718 -20.867 1.00 0.00 O ATOM 926 CB SER A 61 -27.650 10.331 -23.201 1.00 0.00 C ATOM 927 OG SER A 61 -27.188 9.112 -23.765 1.00 0.00 O ATOM 0 H SER A 61 -28.065 8.618 -21.465 1.00 0.00 H new ATOM 0 HA SER A 61 -26.085 10.532 -21.740 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.739 10.359 -23.234 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.291 11.169 -23.798 1.00 0.00 H new ATOM 0 HG SER A 61 -27.707 8.365 -23.400 1.00 0.00 H new ATOM 933 N ALA A 62 -29.005 11.914 -20.963 1.00 0.00 N ATOM 934 CA ALA A 62 -29.669 13.069 -20.366 1.00 0.00 C ATOM 935 C ALA A 62 -29.093 13.422 -18.987 1.00 0.00 C ATOM 936 O ALA A 62 -28.553 14.513 -18.837 1.00 0.00 O ATOM 937 CB ALA A 62 -31.178 12.804 -20.331 1.00 0.00 C ATOM 0 H ALA A 62 -29.654 11.171 -21.222 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.483 13.950 -20.980 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.687 13.659 -19.887 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.544 12.650 -21.346 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.377 11.914 -19.735 1.00 0.00 H new ATOM 943 N LEU A 63 -29.140 12.499 -18.018 1.00 0.00 N ATOM 944 CA LEU A 63 -28.614 12.627 -16.653 1.00 0.00 C ATOM 945 C LEU A 63 -27.183 13.162 -16.642 1.00 0.00 C ATOM 946 O LEU A 63 -26.942 14.215 -16.057 1.00 0.00 O ATOM 947 CB LEU A 63 -28.677 11.269 -15.914 1.00 0.00 C ATOM 948 CG LEU A 63 -29.925 10.968 -15.054 1.00 0.00 C ATOM 949 CD1 LEU A 63 -31.106 11.928 -15.212 1.00 0.00 C ATOM 950 CD2 LEU A 63 -30.416 9.545 -15.298 1.00 0.00 C ATOM 0 H LEU A 63 -29.572 11.589 -18.175 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.244 13.347 -16.132 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.587 10.479 -16.659 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.802 11.199 -15.268 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.569 11.106 -14.033 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.920 11.614 -14.559 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.793 12.937 -14.943 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.447 11.918 -16.247 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -31.295 9.353 -14.683 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.676 9.425 -16.350 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -29.629 8.838 -15.036 1.00 0.00 H new ATOM 962 N ALA A 64 -26.249 12.480 -17.316 1.00 0.00 N ATOM 963 CA ALA A 64 -24.858 12.921 -17.387 1.00 0.00 C ATOM 964 C ALA A 64 -24.754 14.363 -17.916 1.00 0.00 C ATOM 965 O ALA A 64 -24.117 15.207 -17.279 1.00 0.00 O ATOM 966 CB ALA A 64 -24.067 11.926 -18.246 1.00 0.00 C ATOM 0 H ALA A 64 -26.437 11.615 -17.822 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.426 12.937 -16.386 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -23.026 12.245 -18.307 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.117 10.935 -17.795 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.494 11.890 -19.248 1.00 0.00 H new ATOM 972 N THR A 65 -25.430 14.666 -19.032 1.00 0.00 N ATOM 973 CA THR A 65 -25.530 16.029 -19.581 1.00 0.00 C ATOM 974 C THR A 65 -26.076 17.051 -18.576 1.00 0.00 C ATOM 975 O THR A 65 -25.343 17.957 -18.172 1.00 0.00 O ATOM 976 CB THR A 65 -26.332 16.050 -20.894 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.741 15.176 -21.834 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.347 17.447 -21.515 1.00 0.00 C ATOM 0 H THR A 65 -25.927 13.968 -19.585 1.00 0.00 H new ATOM 0 HA THR A 65 -24.508 16.339 -19.801 1.00 0.00 H new ATOM 0 HB THR A 65 -27.350 15.742 -20.655 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.029 14.257 -21.652 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.922 17.427 -22.441 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.805 18.150 -20.819 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.325 17.761 -21.729 1.00 0.00 H new ATOM 986 N VAL A 66 -27.355 16.956 -18.187 1.00 0.00 N ATOM 987 CA VAL A 66 -27.988 17.915 -17.267 1.00 0.00 C ATOM 988 C VAL A 66 -27.258 18.078 -15.934 1.00 0.00 C ATOM 989 O VAL A 66 -27.056 19.204 -15.496 1.00 0.00 O ATOM 990 CB VAL A 66 -29.506 17.724 -17.072 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.249 17.953 -18.390 1.00 0.00 C ATOM 992 CG2 VAL A 66 -29.961 16.374 -16.513 1.00 0.00 C ATOM 0 H VAL A 66 -27.980 16.214 -18.500 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.880 18.862 -17.796 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.752 18.466 -16.313 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.319 17.814 -18.234 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -30.062 18.968 -18.741 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.896 17.240 -19.135 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.047 16.365 -16.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.646 15.577 -17.186 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.514 16.217 -15.531 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.871 16.991 -15.267 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.040 17.030 -14.059 1.00 0.00 C ATOM 1004 C PHE A 67 -24.697 17.770 -14.231 1.00 0.00 C ATOM 1005 O PHE A 67 -24.344 18.590 -13.382 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.866 15.632 -13.466 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.137 14.859 -13.109 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.414 15.463 -13.113 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.038 13.487 -12.798 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.565 14.702 -12.867 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.190 12.731 -12.516 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.460 13.333 -12.572 1.00 0.00 C ATOM 0 H PHE A 67 -27.128 16.046 -15.552 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.589 17.637 -13.339 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.295 15.033 -14.175 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.261 15.721 -12.564 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.504 16.521 -13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.068 13.012 -12.776 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.537 15.171 -12.904 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.099 11.687 -12.256 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.348 12.746 -12.389 1.00 0.00 H new ATOM 1022 N ASN A 68 -23.921 17.478 -15.291 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.721 18.256 -15.653 1.00 0.00 C ATOM 1024 C ASN A 68 -23.024 19.754 -15.846 1.00 0.00 C ATOM 1025 O ASN A 68 -22.213 20.598 -15.462 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.035 17.617 -16.880 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.562 17.970 -17.085 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.761 17.130 -17.468 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -20.129 19.191 -16.857 1.00 0.00 N ATOM 0 H ASN A 68 -24.108 16.697 -15.920 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.021 18.217 -14.818 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.120 16.534 -16.795 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.586 17.911 -17.773 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.145 19.418 -17.000 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -20.777 19.911 -16.537 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.182 20.080 -16.433 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.740 21.436 -16.474 1.00 0.00 C ATOM 1038 C LEU A 69 -24.897 21.993 -15.037 1.00 0.00 C ATOM 1039 O LEU A 69 -24.220 22.970 -14.709 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.004 21.423 -17.374 1.00 0.00 C ATOM 1041 CG LEU A 69 -27.270 22.152 -16.887 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.078 23.671 -16.830 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -28.430 21.913 -17.857 1.00 0.00 C ATOM 0 H LEU A 69 -24.770 19.392 -16.903 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.069 22.154 -16.945 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -25.727 21.851 -18.338 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.271 20.381 -17.552 1.00 0.00 H new ATOM 0 HG LEU A 69 -27.477 21.758 -15.892 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -27.997 24.141 -16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -26.265 23.910 -16.144 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -26.834 24.045 -17.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -29.317 22.435 -17.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -28.162 22.289 -18.844 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -28.638 20.845 -17.920 1.00 0.00 H new