USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 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 Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0.66 K(o=0.66,f=-3.3!) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 0.817 (180deg=0.798) USER MOD Single : A 19 TYR OH : rot 130:sc=-0.00782 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -116:sc= -0.0557 (180deg=-0.238) USER MOD Single : A 36 SER OG : rot -155:sc= 1.11 USER MOD Single : A 42 GLN : amide:sc= 1.05 K(o=1,f=-0.45) USER MOD Single : A 47 SER OG : rot 41:sc= 0.149 USER MOD Single : A 50 ASN : amide:sc= 0.721 K(o=0.72,f=-5.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 1.97 (180deg=1.95) USER MOD Single : A 60 GLN : amide:sc= -0.05 X(o=-0.05,f=-0.41) USER MOD Single : A 61 SER OG : rot 180:sc= 0.332 USER MOD Single : A 65 THR OG1 : rot 81:sc= 0.964 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -30.904 3.609 -14.103 1.00 0.00 N ATOM 70 CA PRO A 6 -30.874 5.003 -14.554 1.00 0.00 C ATOM 71 C PRO A 6 -32.235 5.601 -14.907 1.00 0.00 C ATOM 72 O PRO A 6 -32.472 6.777 -14.603 1.00 0.00 O ATOM 73 CB PRO A 6 -29.946 5.023 -15.781 1.00 0.00 C ATOM 74 CG PRO A 6 -29.939 3.571 -16.248 1.00 0.00 C ATOM 75 CD PRO A 6 -30.062 2.784 -14.954 1.00 0.00 C ATOM 0 HA PRO A 6 -30.523 5.627 -13.732 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.320 5.692 -16.556 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -28.944 5.365 -15.521 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.767 3.363 -16.925 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.021 3.325 -16.782 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.510 1.805 -15.126 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.086 2.612 -14.500 1.00 0.00 H new ATOM 83 N VAL A 7 -33.130 4.801 -15.512 1.00 0.00 N ATOM 84 CA VAL A 7 -34.486 5.246 -15.883 1.00 0.00 C ATOM 85 C VAL A 7 -35.165 5.863 -14.680 1.00 0.00 C ATOM 86 O VAL A 7 -35.686 6.965 -14.760 1.00 0.00 O ATOM 87 CB VAL A 7 -35.391 4.117 -16.432 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.731 4.693 -16.885 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.669 3.286 -17.490 1.00 0.00 C ATOM 0 H VAL A 7 -32.935 3.830 -15.757 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.354 5.970 -16.687 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.618 3.410 -15.634 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.361 3.891 -17.270 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.227 5.170 -16.039 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -36.563 5.431 -17.670 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.334 2.503 -17.854 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.377 3.929 -18.321 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.780 2.833 -17.052 1.00 0.00 H new ATOM 99 N MET A 8 -35.130 5.155 -13.560 1.00 0.00 N ATOM 100 CA MET A 8 -35.707 5.579 -12.299 1.00 0.00 C ATOM 101 C MET A 8 -35.223 6.940 -11.771 1.00 0.00 C ATOM 102 O MET A 8 -36.053 7.775 -11.438 1.00 0.00 O ATOM 103 CB MET A 8 -35.493 4.449 -11.306 1.00 0.00 C ATOM 104 CG MET A 8 -36.469 4.598 -10.142 1.00 0.00 C ATOM 105 SD MET A 8 -35.855 5.539 -8.717 1.00 0.00 S ATOM 106 CE MET A 8 -37.404 5.786 -7.811 1.00 0.00 C ATOM 0 H MET A 8 -34.683 4.240 -13.506 1.00 0.00 H new ATOM 0 HA MET A 8 -36.769 5.767 -12.457 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.641 3.487 -11.797 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.467 4.464 -10.938 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.374 5.081 -10.510 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.754 3.603 -9.801 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.207 6.352 -6.901 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.107 6.337 -8.436 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.832 4.818 -7.551 1.00 0.00 H new ATOM 116 N ILE A 9 -33.914 7.181 -11.669 1.00 0.00 N ATOM 117 CA ILE A 9 -33.330 8.492 -11.290 1.00 0.00 C ATOM 118 C ILE A 9 -33.810 9.618 -12.210 1.00 0.00 C ATOM 119 O ILE A 9 -34.282 10.657 -11.749 1.00 0.00 O ATOM 120 CB ILE A 9 -31.785 8.485 -11.295 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.174 7.191 -10.729 1.00 0.00 C ATOM 122 CG2 ILE A 9 -31.260 9.705 -10.513 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.729 6.997 -11.181 1.00 0.00 C ATOM 0 H ILE A 9 -33.209 6.466 -11.848 1.00 0.00 H new ATOM 0 HA ILE A 9 -33.677 8.672 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.473 8.538 -12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.213 7.218 -9.640 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.772 6.337 -11.049 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -30.170 9.698 -10.517 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -31.619 10.621 -10.983 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -31.619 9.660 -9.485 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.337 6.072 -10.759 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.692 6.943 -12.269 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.125 7.837 -10.838 1.00 0.00 H new ATOM 135 N LEU A 10 -33.682 9.395 -13.523 1.00 0.00 N ATOM 136 CA LEU A 10 -34.154 10.305 -14.571 1.00 0.00 C ATOM 137 C LEU A 10 -35.640 10.621 -14.357 1.00 0.00 C ATOM 138 O LEU A 10 -36.046 11.782 -14.321 1.00 0.00 O ATOM 139 CB LEU A 10 -33.819 9.602 -15.909 1.00 0.00 C ATOM 140 CG LEU A 10 -34.511 9.924 -17.241 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.998 9.649 -17.305 1.00 0.00 C ATOM 142 CD2 LEU A 10 -34.186 11.301 -17.790 1.00 0.00 C ATOM 0 H LEU A 10 -33.236 8.556 -13.894 1.00 0.00 H new ATOM 0 HA LEU A 10 -33.670 11.282 -14.560 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -32.752 9.754 -16.075 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.966 8.536 -15.739 1.00 0.00 H new ATOM 0 HG LEU A 10 -34.057 9.187 -17.903 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.375 9.915 -18.293 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -36.181 8.590 -17.120 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.511 10.243 -16.549 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -34.714 11.451 -18.732 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -34.499 12.061 -17.074 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -33.112 11.381 -17.959 1.00 0.00 H new ATOM 154 N ASN A 11 -36.430 9.561 -14.205 1.00 0.00 N ATOM 155 CA ASN A 11 -37.874 9.588 -13.964 1.00 0.00 C ATOM 156 C ASN A 11 -38.246 10.418 -12.730 1.00 0.00 C ATOM 157 O ASN A 11 -39.115 11.284 -12.764 1.00 0.00 O ATOM 158 CB ASN A 11 -38.364 8.136 -13.866 1.00 0.00 C ATOM 159 CG ASN A 11 -39.822 7.991 -13.461 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.671 8.820 -13.757 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.166 6.944 -12.745 1.00 0.00 N ATOM 0 H ASN A 11 -36.063 8.610 -14.249 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.374 10.086 -14.794 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.218 7.650 -14.831 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.744 7.604 -13.144 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.133 6.829 -12.442 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -39.466 6.246 -12.493 1.00 0.00 H new ATOM 168 N GLU A 12 -37.600 10.100 -11.617 1.00 0.00 N ATOM 169 CA GLU A 12 -37.706 10.757 -10.325 1.00 0.00 C ATOM 170 C GLU A 12 -37.423 12.268 -10.378 1.00 0.00 C ATOM 171 O GLU A 12 -38.277 13.067 -9.987 1.00 0.00 O ATOM 172 CB GLU A 12 -36.782 9.983 -9.374 1.00 0.00 C ATOM 173 CG GLU A 12 -36.515 10.684 -8.047 1.00 0.00 C ATOM 174 CD GLU A 12 -36.020 9.689 -6.993 1.00 0.00 C ATOM 175 OE1 GLU A 12 -36.861 8.974 -6.399 1.00 0.00 O ATOM 176 OE2 GLU A 12 -34.804 9.649 -6.686 1.00 0.00 O ATOM 0 H GLU A 12 -36.942 9.321 -11.593 1.00 0.00 H new ATOM 0 HA GLU A 12 -38.733 10.726 -9.961 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.223 9.007 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -35.831 9.806 -9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -35.772 11.469 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.427 11.167 -7.697 1.00 0.00 H new ATOM 183 N LEU A 13 -36.220 12.670 -10.807 1.00 0.00 N ATOM 184 CA LEU A 13 -35.859 14.073 -11.051 1.00 0.00 C ATOM 185 C LEU A 13 -36.769 14.835 -12.040 1.00 0.00 C ATOM 186 O LEU A 13 -37.055 16.012 -11.813 1.00 0.00 O ATOM 187 CB LEU A 13 -34.367 14.218 -11.362 1.00 0.00 C ATOM 188 CG LEU A 13 -33.424 13.765 -10.220 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.077 14.440 -10.427 1.00 0.00 C ATOM 190 CD2 LEU A 13 -33.849 14.118 -8.793 1.00 0.00 C ATOM 0 H LEU A 13 -35.458 12.020 -10.997 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.054 14.584 -10.108 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.138 13.639 -12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.158 15.262 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.423 12.677 -10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.393 14.137 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -31.667 14.145 -11.393 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.205 15.522 -10.402 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.105 13.745 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -33.931 15.200 -8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -34.814 13.660 -8.577 1.00 0.00 H new ATOM 202 N ARG A 14 -37.207 14.174 -13.127 1.00 0.00 N ATOM 203 CA ARG A 14 -38.045 14.694 -14.240 1.00 0.00 C ATOM 204 C ARG A 14 -37.860 16.195 -14.568 1.00 0.00 C ATOM 205 O ARG A 14 -38.789 16.982 -14.369 1.00 0.00 O ATOM 206 CB ARG A 14 -39.520 14.262 -14.081 1.00 0.00 C ATOM 207 CG ARG A 14 -40.153 14.598 -12.715 1.00 0.00 C ATOM 208 CD ARG A 14 -41.584 14.071 -12.566 1.00 0.00 C ATOM 209 NE ARG A 14 -41.630 12.596 -12.589 1.00 0.00 N ATOM 210 CZ ARG A 14 -42.678 11.824 -12.380 1.00 0.00 C ATOM 211 NH1 ARG A 14 -43.846 12.306 -12.055 1.00 0.00 N ATOM 212 NH2 ARG A 14 -42.576 10.532 -12.499 1.00 0.00 N ATOM 0 H ARG A 14 -36.972 13.192 -13.267 1.00 0.00 H new ATOM 0 HA ARG A 14 -37.662 14.214 -15.141 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.109 14.738 -14.865 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -39.587 13.186 -14.241 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -39.534 14.178 -11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.155 15.679 -12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -42.009 14.433 -11.630 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -42.203 14.467 -13.371 1.00 0.00 H new ATOM 0 HE ARG A 14 -40.751 12.120 -12.789 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -43.972 13.313 -11.954 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -44.633 11.676 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -41.682 10.112 -12.755 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -43.390 9.939 -12.336 1.00 0.00 H new ATOM 226 N PRO A 15 -36.674 16.622 -15.053 1.00 0.00 N ATOM 227 CA PRO A 15 -36.306 18.043 -15.141 1.00 0.00 C ATOM 228 C PRO A 15 -37.176 18.868 -16.109 1.00 0.00 C ATOM 229 O PRO A 15 -37.468 20.038 -15.850 1.00 0.00 O ATOM 230 CB PRO A 15 -34.825 18.063 -15.557 1.00 0.00 C ATOM 231 CG PRO A 15 -34.323 16.651 -15.242 1.00 0.00 C ATOM 232 CD PRO A 15 -35.562 15.806 -15.519 1.00 0.00 C ATOM 0 HA PRO A 15 -36.476 18.523 -14.177 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.713 18.298 -16.615 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.266 18.817 -15.002 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -33.484 16.365 -15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.988 16.558 -14.209 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -35.656 15.576 -16.580 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.519 14.854 -14.989 1.00 0.00 H new ATOM 240 N GLY A 16 -37.620 18.242 -17.204 1.00 0.00 N ATOM 241 CA GLY A 16 -38.503 18.824 -18.227 1.00 0.00 C ATOM 242 C GLY A 16 -38.955 17.810 -19.289 1.00 0.00 C ATOM 243 O GLY A 16 -39.220 18.187 -20.431 1.00 0.00 O ATOM 0 H GLY A 16 -37.365 17.277 -17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -39.382 19.246 -17.740 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -37.985 19.647 -18.718 1.00 0.00 H new ATOM 247 N LEU A 17 -38.968 16.518 -18.932 1.00 0.00 N ATOM 248 CA LEU A 17 -39.078 15.371 -19.825 1.00 0.00 C ATOM 249 C LEU A 17 -40.345 15.345 -20.688 1.00 0.00 C ATOM 250 O LEU A 17 -41.472 15.468 -20.198 1.00 0.00 O ATOM 251 CB LEU A 17 -38.997 14.075 -18.993 1.00 0.00 C ATOM 252 CG LEU A 17 -37.805 13.995 -18.031 1.00 0.00 C ATOM 253 CD1 LEU A 17 -37.753 12.655 -17.336 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.484 14.119 -18.770 1.00 0.00 C ATOM 0 H LEU A 17 -38.898 16.236 -17.954 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.247 15.455 -20.526 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -39.917 13.973 -18.417 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -38.952 13.226 -19.675 1.00 0.00 H new ATOM 0 HG LEU A 17 -37.943 14.812 -17.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -36.898 12.628 -16.661 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -38.670 12.505 -16.766 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -37.654 11.863 -18.079 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -35.661 14.058 -18.057 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.396 13.311 -19.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -36.445 15.077 -19.288 1.00 0.00 H new ATOM 266 N LYS A 18 -40.126 15.010 -21.958 1.00 0.00 N ATOM 267 CA LYS A 18 -41.051 14.263 -22.816 1.00 0.00 C ATOM 268 C LYS A 18 -40.306 13.187 -23.585 1.00 0.00 C ATOM 269 O LYS A 18 -39.211 13.449 -24.087 1.00 0.00 O ATOM 270 CB LYS A 18 -41.869 15.138 -23.764 1.00 0.00 C ATOM 271 CG LYS A 18 -41.047 16.063 -24.684 1.00 0.00 C ATOM 272 CD LYS A 18 -41.916 16.794 -25.721 1.00 0.00 C ATOM 273 CE LYS A 18 -42.501 15.868 -26.801 1.00 0.00 C ATOM 274 NZ LYS A 18 -41.478 15.424 -27.782 1.00 0.00 N ATOM 0 H LYS A 18 -39.263 15.261 -22.440 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.776 13.801 -22.146 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.487 14.491 -24.386 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.547 15.752 -23.171 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -40.519 16.798 -24.076 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.290 15.474 -25.201 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -42.733 17.298 -25.206 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.318 17.567 -26.203 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -42.946 14.995 -26.324 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -43.302 16.388 -27.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -41.910 14.763 -28.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -41.107 16.250 -28.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -40.700 14.948 -27.281 1.00 0.00 H new ATOM 288 N TYR A 19 -40.895 11.997 -23.635 1.00 0.00 N ATOM 289 CA TYR A 19 -40.332 10.821 -24.290 1.00 0.00 C ATOM 290 C TYR A 19 -41.041 10.550 -25.622 1.00 0.00 C ATOM 291 O TYR A 19 -42.269 10.595 -25.735 1.00 0.00 O ATOM 292 CB TYR A 19 -40.441 9.573 -23.408 1.00 0.00 C ATOM 293 CG TYR A 19 -39.993 9.695 -21.967 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.887 10.219 -21.013 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.739 9.202 -21.555 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.538 10.251 -19.653 1.00 0.00 C ATOM 297 CE2 TYR A 19 -38.372 9.274 -20.202 1.00 0.00 C ATOM 298 CZ TYR A 19 -39.284 9.764 -19.237 1.00 0.00 C ATOM 299 OH TYR A 19 -39.014 9.665 -17.911 1.00 0.00 O ATOM 0 H TYR A 19 -41.804 11.819 -23.208 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.278 11.033 -24.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.482 9.249 -23.411 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.859 8.779 -23.875 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.847 10.599 -21.329 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -38.062 8.770 -22.278 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -41.231 10.649 -18.927 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.387 8.953 -19.895 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.667 8.770 -17.714 1.00 0.00 H new ATOM 309 N ASP A 20 -40.232 10.264 -26.631 1.00 0.00 N ATOM 310 CA ASP A 20 -40.587 10.011 -28.024 1.00 0.00 C ATOM 311 C ASP A 20 -40.112 8.605 -28.416 1.00 0.00 C ATOM 312 O ASP A 20 -38.996 8.202 -28.075 1.00 0.00 O ATOM 313 CB ASP A 20 -39.943 11.072 -28.929 1.00 0.00 C ATOM 314 CG ASP A 20 -40.438 12.491 -28.611 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.520 12.888 -29.107 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.754 13.242 -27.876 1.00 0.00 O ATOM 0 H ASP A 20 -39.225 10.197 -26.486 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.669 10.069 -28.146 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.860 11.034 -28.815 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.162 10.839 -29.971 1.00 0.00 H new ATOM 321 N PHE A 21 -40.965 7.849 -29.110 1.00 0.00 N ATOM 322 CA PHE A 21 -40.704 6.458 -29.482 1.00 0.00 C ATOM 323 C PHE A 21 -40.345 6.328 -30.969 1.00 0.00 C ATOM 324 O PHE A 21 -41.058 6.778 -31.872 1.00 0.00 O ATOM 325 CB PHE A 21 -41.915 5.596 -29.104 1.00 0.00 C ATOM 326 CG PHE A 21 -41.859 4.171 -29.628 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.740 3.355 -29.368 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.919 3.671 -30.409 1.00 0.00 C ATOM 329 CE1 PHE A 21 -40.680 2.053 -29.897 1.00 0.00 C ATOM 330 CE2 PHE A 21 -42.859 2.367 -30.931 1.00 0.00 C ATOM 331 CZ PHE A 21 -41.739 1.557 -30.677 1.00 0.00 C ATOM 0 H PHE A 21 -41.870 8.191 -29.434 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.836 6.099 -28.929 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -42.001 5.568 -28.018 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.818 6.074 -29.483 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.928 3.729 -28.762 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.781 4.291 -30.608 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -39.818 1.432 -29.703 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -43.675 1.987 -31.528 1.00 0.00 H new ATOM 0 HZ PHE A 21 -41.692 0.556 -31.080 1.00 0.00 H new ATOM 341 N LEU A 22 -39.196 5.693 -31.173 1.00 0.00 N ATOM 342 CA LEU A 22 -38.465 5.418 -32.398 1.00 0.00 C ATOM 343 C LEU A 22 -38.082 3.917 -32.328 1.00 0.00 C ATOM 344 O LEU A 22 -37.904 3.351 -31.252 1.00 0.00 O ATOM 345 CB LEU A 22 -37.201 6.305 -32.508 1.00 0.00 C ATOM 346 CG LEU A 22 -37.192 7.840 -32.351 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.080 8.602 -33.316 1.00 0.00 C ATOM 348 CD2 LEU A 22 -37.546 8.360 -30.964 1.00 0.00 C ATOM 0 H LEU A 22 -38.692 5.310 -30.373 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.068 5.640 -33.278 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.499 5.922 -31.768 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -36.773 6.100 -33.489 1.00 0.00 H new ATOM 0 HG LEU A 22 -36.142 8.032 -32.571 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -37.999 9.671 -33.119 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -37.766 8.397 -34.339 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -39.115 8.287 -33.184 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.510 9.449 -30.964 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -38.550 8.030 -30.697 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.832 7.973 -30.237 1.00 0.00 H new ATOM 360 N SER A 23 -38.046 3.212 -33.446 1.00 0.00 N ATOM 361 CA SER A 23 -37.856 1.751 -33.524 1.00 0.00 C ATOM 362 C SER A 23 -36.769 1.409 -34.549 1.00 0.00 C ATOM 363 O SER A 23 -37.035 0.932 -35.655 1.00 0.00 O ATOM 364 CB SER A 23 -39.219 1.137 -33.825 1.00 0.00 C ATOM 365 OG SER A 23 -39.165 -0.277 -33.931 1.00 0.00 O ATOM 0 H SER A 23 -38.151 3.645 -34.364 1.00 0.00 H new ATOM 0 HA SER A 23 -37.494 1.330 -32.586 1.00 0.00 H new ATOM 0 HB2 SER A 23 -39.920 1.413 -33.038 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.604 1.554 -34.756 1.00 0.00 H new ATOM 0 HG SER A 23 -40.061 -0.625 -34.123 1.00 0.00 H new ATOM 490 N PHE A 33 -34.827 -0.486 -29.983 1.00 0.00 N ATOM 491 CA PHE A 33 -35.933 0.440 -29.869 1.00 0.00 C ATOM 492 C PHE A 33 -35.324 1.668 -29.233 1.00 0.00 C ATOM 493 O PHE A 33 -34.518 1.621 -28.302 1.00 0.00 O ATOM 494 CB PHE A 33 -37.051 -0.102 -28.971 1.00 0.00 C ATOM 495 CG PHE A 33 -37.738 -1.388 -29.398 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.722 -1.847 -30.733 1.00 0.00 C ATOM 497 CD2 PHE A 33 -38.437 -2.124 -28.423 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.373 -3.046 -31.074 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.083 -3.324 -28.763 1.00 0.00 C ATOM 500 CZ PHE A 33 -39.047 -3.790 -30.089 1.00 0.00 C ATOM 0 HA PHE A 33 -36.391 0.629 -30.840 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.636 -0.258 -27.975 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -37.813 0.672 -28.881 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -37.209 -1.277 -31.493 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.477 -1.763 -27.406 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -38.355 -3.397 -32.095 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -39.607 -3.889 -28.006 1.00 0.00 H new ATOM 0 HZ PHE A 33 -39.536 -4.717 -30.351 1.00 0.00 H new ATOM 510 N VAL A 34 -35.619 2.783 -29.860 1.00 0.00 N ATOM 511 CA VAL A 34 -34.946 4.030 -29.607 1.00 0.00 C ATOM 512 C VAL A 34 -35.923 4.933 -28.872 1.00 0.00 C ATOM 513 O VAL A 34 -36.990 5.298 -29.360 1.00 0.00 O ATOM 514 CB VAL A 34 -34.382 4.550 -30.927 1.00 0.00 C ATOM 515 CG1 VAL A 34 -33.886 5.968 -30.781 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.167 3.732 -31.353 1.00 0.00 C ATOM 0 H VAL A 34 -36.346 2.847 -30.572 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.077 3.950 -28.954 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.190 4.483 -31.656 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.489 6.315 -31.735 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.710 6.612 -30.475 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -33.100 6.003 -30.027 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -32.780 4.119 -32.296 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.394 3.803 -30.588 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -33.457 2.689 -31.480 1.00 0.00 H new ATOM 526 N MET A 35 -35.550 5.261 -27.647 1.00 0.00 N ATOM 527 CA MET A 35 -36.302 6.190 -26.807 1.00 0.00 C ATOM 528 C MET A 35 -35.544 7.502 -26.790 1.00 0.00 C ATOM 529 O MET A 35 -34.360 7.541 -26.456 1.00 0.00 O ATOM 530 CB MET A 35 -36.504 5.625 -25.393 1.00 0.00 C ATOM 531 CG MET A 35 -37.726 4.700 -25.356 1.00 0.00 C ATOM 532 SD MET A 35 -39.306 5.580 -25.537 1.00 0.00 S ATOM 533 CE MET A 35 -40.448 4.177 -25.620 1.00 0.00 C ATOM 0 H MET A 35 -34.712 4.890 -27.200 1.00 0.00 H new ATOM 0 HA MET A 35 -37.302 6.346 -27.211 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.615 5.076 -25.084 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.637 6.442 -24.684 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.637 3.961 -26.153 1.00 0.00 H new ATOM 0 HG3 MET A 35 -37.730 4.153 -24.413 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.931 4.158 -26.597 1.00 0.00 H new ATOM 0 HE2 MET A 35 -39.896 3.249 -25.470 1.00 0.00 H new ATOM 0 HE3 MET A 35 -41.206 4.278 -24.843 1.00 0.00 H new ATOM 543 N SER A 36 -36.219 8.575 -27.178 1.00 0.00 N ATOM 544 CA SER A 36 -35.598 9.887 -27.339 1.00 0.00 C ATOM 545 C SER A 36 -36.319 10.905 -26.467 1.00 0.00 C ATOM 546 O SER A 36 -37.544 10.893 -26.391 1.00 0.00 O ATOM 547 CB SER A 36 -35.513 10.298 -28.803 1.00 0.00 C ATOM 548 OG SER A 36 -34.797 9.316 -29.537 1.00 0.00 O ATOM 0 H SER A 36 -37.216 8.562 -27.391 1.00 0.00 H new ATOM 0 HA SER A 36 -34.564 9.837 -26.998 1.00 0.00 H new ATOM 0 HB2 SER A 36 -36.515 10.415 -29.216 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.017 11.265 -28.891 1.00 0.00 H new ATOM 0 HG SER A 36 -34.396 9.728 -30.331 1.00 0.00 H new ATOM 554 N VAL A 37 -35.581 11.750 -25.750 1.00 0.00 N ATOM 555 CA VAL A 37 -36.120 12.627 -24.699 1.00 0.00 C ATOM 556 C VAL A 37 -35.713 14.075 -24.903 1.00 0.00 C ATOM 557 O VAL A 37 -34.542 14.364 -25.139 1.00 0.00 O ATOM 558 CB VAL A 37 -35.767 12.181 -23.263 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.674 11.088 -22.743 1.00 0.00 C ATOM 560 CG2 VAL A 37 -34.297 11.788 -23.063 1.00 0.00 C ATOM 0 H VAL A 37 -34.574 11.850 -25.881 1.00 0.00 H new ATOM 0 HA VAL A 37 -37.202 12.540 -24.800 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.936 13.080 -22.670 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -36.375 10.818 -21.730 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.704 11.443 -22.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -36.597 10.213 -23.389 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -34.138 11.489 -22.027 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -34.050 10.957 -23.723 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.658 12.639 -23.297 1.00 0.00 H new ATOM 570 N VAL A 38 -36.676 14.986 -24.740 1.00 0.00 N ATOM 571 CA VAL A 38 -36.424 16.437 -24.640 1.00 0.00 C ATOM 572 C VAL A 38 -36.585 16.782 -23.163 1.00 0.00 C ATOM 573 O VAL A 38 -37.590 16.410 -22.554 1.00 0.00 O ATOM 574 CB VAL A 38 -37.424 17.277 -25.463 1.00 0.00 C ATOM 575 CG1 VAL A 38 -37.069 18.769 -25.391 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.471 16.893 -26.945 1.00 0.00 C ATOM 0 H VAL A 38 -37.664 14.741 -24.672 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.434 16.665 -25.034 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.398 17.074 -25.018 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.786 19.342 -25.978 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.101 19.101 -24.353 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -36.067 18.924 -25.791 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.194 17.524 -27.462 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.485 17.033 -27.389 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.767 15.848 -27.041 1.00 0.00 H new ATOM 586 N VAL A 39 -35.557 17.404 -22.574 1.00 0.00 N ATOM 587 CA VAL A 39 -35.344 17.385 -21.107 1.00 0.00 C ATOM 588 C VAL A 39 -34.982 18.747 -20.514 1.00 0.00 C ATOM 589 O VAL A 39 -35.354 19.050 -19.382 1.00 0.00 O ATOM 590 CB VAL A 39 -34.229 16.367 -20.759 1.00 0.00 C ATOM 591 CG1 VAL A 39 -33.900 16.305 -19.258 1.00 0.00 C ATOM 592 CG2 VAL A 39 -34.549 14.983 -21.336 1.00 0.00 C ATOM 0 H VAL A 39 -34.851 17.932 -23.087 1.00 0.00 H new ATOM 0 HA VAL A 39 -36.297 17.096 -20.665 1.00 0.00 H new ATOM 0 HB VAL A 39 -33.319 16.731 -21.237 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -33.111 15.572 -19.088 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.564 17.285 -18.918 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -34.791 16.014 -18.702 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.751 14.287 -21.077 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -35.491 14.625 -20.921 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.633 15.052 -22.421 1.00 0.00 H new ATOM 602 N ASP A 40 -34.249 19.565 -21.266 1.00 0.00 N ATOM 603 CA ASP A 40 -33.477 20.701 -20.729 1.00 0.00 C ATOM 604 C ASP A 40 -33.377 21.856 -21.754 1.00 0.00 C ATOM 605 O ASP A 40 -32.390 22.588 -21.829 1.00 0.00 O ATOM 606 CB ASP A 40 -32.118 20.116 -20.295 1.00 0.00 C ATOM 607 CG ASP A 40 -31.147 21.146 -19.704 1.00 0.00 C ATOM 608 OD1 ASP A 40 -31.514 21.838 -18.723 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.002 21.223 -20.212 1.00 0.00 O ATOM 0 H ASP A 40 -34.169 19.463 -22.278 1.00 0.00 H new ATOM 0 HA ASP A 40 -33.963 21.165 -19.871 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.292 19.333 -19.557 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -31.647 19.643 -21.157 1.00 0.00 H new ATOM 614 N GLY A 41 -34.363 21.942 -22.653 1.00 0.00 N ATOM 615 CA GLY A 41 -34.279 22.681 -23.921 1.00 0.00 C ATOM 616 C GLY A 41 -33.497 21.921 -25.005 1.00 0.00 C ATOM 617 O GLY A 41 -33.623 22.231 -26.191 1.00 0.00 O ATOM 0 H GLY A 41 -35.266 21.488 -22.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -35.286 22.887 -24.283 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.801 23.644 -23.743 1.00 0.00 H new ATOM 621 N GLN A 42 -32.742 20.890 -24.606 1.00 0.00 N ATOM 622 CA GLN A 42 -31.997 19.971 -25.460 1.00 0.00 C ATOM 623 C GLN A 42 -32.577 18.550 -25.430 1.00 0.00 C ATOM 624 O GLN A 42 -33.439 18.210 -24.605 1.00 0.00 O ATOM 625 CB GLN A 42 -30.502 20.001 -25.096 1.00 0.00 C ATOM 626 CG GLN A 42 -30.174 19.792 -23.609 1.00 0.00 C ATOM 627 CD GLN A 42 -28.668 19.747 -23.336 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.854 19.346 -24.159 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.229 20.152 -22.166 1.00 0.00 N ATOM 0 H GLN A 42 -32.632 20.666 -23.617 1.00 0.00 H new ATOM 0 HA GLN A 42 -32.099 20.310 -26.491 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -29.991 19.231 -25.674 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -30.090 20.960 -25.409 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.621 20.597 -23.026 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -30.629 18.862 -23.268 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -28.887 20.490 -21.464 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -27.230 20.128 -21.960 1.00 0.00 H new ATOM 638 N PHE A 43 -32.082 17.741 -26.365 1.00 0.00 N ATOM 639 CA PHE A 43 -32.652 16.476 -26.809 1.00 0.00 C ATOM 640 C PHE A 43 -31.576 15.383 -26.891 1.00 0.00 C ATOM 641 O PHE A 43 -30.449 15.626 -27.335 1.00 0.00 O ATOM 642 CB PHE A 43 -33.307 16.732 -28.174 1.00 0.00 C ATOM 643 CG PHE A 43 -33.797 15.510 -28.930 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.954 14.829 -28.509 1.00 0.00 C ATOM 645 CD2 PHE A 43 -33.128 15.089 -30.096 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.470 13.769 -29.272 1.00 0.00 C ATOM 647 CE2 PHE A 43 -33.631 14.015 -30.851 1.00 0.00 C ATOM 648 CZ PHE A 43 -34.810 13.364 -30.446 1.00 0.00 C ATOM 0 H PHE A 43 -31.220 17.967 -26.861 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.395 16.115 -26.097 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -34.153 17.403 -28.026 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.589 17.258 -28.804 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.448 15.123 -27.595 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -32.226 15.593 -30.411 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.372 13.266 -28.958 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -33.113 13.690 -31.741 1.00 0.00 H new ATOM 0 HZ PHE A 43 -35.209 12.553 -31.037 1.00 0.00 H new ATOM 658 N PHE A 44 -31.946 14.173 -26.475 1.00 0.00 N ATOM 659 CA PHE A 44 -31.076 12.998 -26.363 1.00 0.00 C ATOM 660 C PHE A 44 -31.764 11.755 -26.941 1.00 0.00 C ATOM 661 O PHE A 44 -32.991 11.676 -26.946 1.00 0.00 O ATOM 662 CB PHE A 44 -30.727 12.763 -24.884 1.00 0.00 C ATOM 663 CG PHE A 44 -30.234 13.994 -24.150 1.00 0.00 C ATOM 664 CD1 PHE A 44 -28.881 14.369 -24.235 1.00 0.00 C ATOM 665 CD2 PHE A 44 -31.137 14.794 -23.423 1.00 0.00 C ATOM 666 CE1 PHE A 44 -28.435 15.536 -23.593 1.00 0.00 C ATOM 667 CE2 PHE A 44 -30.687 15.953 -22.771 1.00 0.00 C ATOM 668 CZ PHE A 44 -29.335 16.320 -22.851 1.00 0.00 C ATOM 0 H PHE A 44 -32.906 13.973 -26.193 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.164 13.179 -26.932 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.610 12.380 -24.372 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.962 11.989 -24.823 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -28.186 13.760 -24.794 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -32.179 14.515 -23.367 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -27.399 15.831 -23.670 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -31.380 16.561 -22.209 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.986 17.206 -22.342 1.00 0.00 H new ATOM 678 N GLU A 45 -30.989 10.761 -27.379 1.00 0.00 N ATOM 679 CA GLU A 45 -31.495 9.535 -28.020 1.00 0.00 C ATOM 680 C GLU A 45 -30.832 8.294 -27.409 1.00 0.00 C ATOM 681 O GLU A 45 -29.620 8.263 -27.180 1.00 0.00 O ATOM 682 CB GLU A 45 -31.281 9.580 -29.544 1.00 0.00 C ATOM 683 CG GLU A 45 -31.885 10.829 -30.210 1.00 0.00 C ATOM 684 CD GLU A 45 -32.355 10.537 -31.646 1.00 0.00 C ATOM 685 OE1 GLU A 45 -31.518 10.563 -32.583 1.00 0.00 O ATOM 686 OE2 GLU A 45 -33.568 10.286 -31.845 1.00 0.00 O ATOM 0 H GLU A 45 -29.972 10.781 -27.299 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.568 9.473 -27.837 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -30.212 9.546 -29.754 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.722 8.689 -29.992 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -32.727 11.186 -29.617 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -31.144 11.628 -30.225 1.00 0.00 H new ATOM 693 N GLY A 46 -31.645 7.276 -27.120 1.00 0.00 N ATOM 694 CA GLY A 46 -31.291 6.129 -26.292 1.00 0.00 C ATOM 695 C GLY A 46 -31.676 4.802 -26.937 1.00 0.00 C ATOM 696 O GLY A 46 -32.860 4.485 -27.026 1.00 0.00 O ATOM 0 H GLY A 46 -32.602 7.229 -27.470 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.218 6.139 -26.103 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.786 6.216 -25.325 1.00 0.00 H new ATOM 700 N SER A 47 -30.696 4.017 -27.389 1.00 0.00 N ATOM 701 CA SER A 47 -30.926 2.842 -28.244 1.00 0.00 C ATOM 702 C SER A 47 -30.778 1.527 -27.474 1.00 0.00 C ATOM 703 O SER A 47 -29.672 1.105 -27.129 1.00 0.00 O ATOM 704 CB SER A 47 -29.960 2.893 -29.435 1.00 0.00 C ATOM 705 OG SER A 47 -28.609 3.068 -29.035 1.00 0.00 O ATOM 0 H SER A 47 -29.712 4.177 -27.173 1.00 0.00 H new ATOM 0 HA SER A 47 -31.955 2.873 -28.603 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.048 1.971 -30.010 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.248 3.710 -30.097 1.00 0.00 H new ATOM 0 HG SER A 47 -28.426 2.513 -28.248 1.00 0.00 H new ATOM 711 N GLY A 48 -31.915 0.899 -27.168 1.00 0.00 N ATOM 712 CA GLY A 48 -32.001 -0.330 -26.377 1.00 0.00 C ATOM 713 C GLY A 48 -33.005 -1.372 -26.861 1.00 0.00 C ATOM 714 O GLY A 48 -34.125 -1.034 -27.232 1.00 0.00 O ATOM 0 H GLY A 48 -32.827 1.241 -27.472 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.014 -0.791 -26.351 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.254 -0.061 -25.351 1.00 0.00 H new ATOM 718 N ARG A 49 -32.621 -2.652 -26.887 1.00 0.00 N ATOM 719 CA ARG A 49 -33.478 -3.768 -27.337 1.00 0.00 C ATOM 720 C ARG A 49 -34.893 -3.854 -26.714 1.00 0.00 C ATOM 721 O ARG A 49 -35.797 -4.382 -27.358 1.00 0.00 O ATOM 722 CB ARG A 49 -32.673 -5.075 -27.237 1.00 0.00 C ATOM 723 CG ARG A 49 -33.371 -6.264 -27.924 1.00 0.00 C ATOM 724 CD ARG A 49 -32.363 -7.240 -28.539 1.00 0.00 C ATOM 725 NE ARG A 49 -31.732 -6.637 -29.730 1.00 0.00 N ATOM 726 CZ ARG A 49 -30.931 -7.217 -30.598 1.00 0.00 C ATOM 727 NH1 ARG A 49 -30.545 -8.450 -30.461 1.00 0.00 N ATOM 728 NH2 ARG A 49 -30.535 -6.543 -31.637 1.00 0.00 N ATOM 0 H ARG A 49 -31.692 -2.953 -26.592 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.734 -3.566 -28.377 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.692 -4.927 -27.688 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.508 -5.315 -26.187 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -33.990 -6.791 -27.198 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -34.038 -5.893 -28.702 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -31.600 -7.497 -27.805 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -32.865 -8.167 -28.814 1.00 0.00 H new ATOM 0 HE ARG A 49 -31.942 -5.653 -29.900 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -30.864 -8.998 -29.662 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -29.923 -8.870 -31.152 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -30.845 -5.580 -31.769 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -29.914 -6.977 -32.320 1.00 0.00 H new ATOM 742 N ASN A 50 -35.120 -3.287 -25.523 1.00 0.00 N ATOM 743 CA ASN A 50 -36.452 -2.870 -25.041 1.00 0.00 C ATOM 744 C ASN A 50 -36.338 -1.647 -24.095 1.00 0.00 C ATOM 745 O ASN A 50 -35.221 -1.221 -23.792 1.00 0.00 O ATOM 746 CB ASN A 50 -37.194 -4.078 -24.421 1.00 0.00 C ATOM 747 CG ASN A 50 -38.706 -3.994 -24.598 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.359 -3.070 -24.134 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.313 -4.935 -25.282 1.00 0.00 N ATOM 0 H ASN A 50 -34.374 -3.100 -24.853 1.00 0.00 H new ATOM 0 HA ASN A 50 -37.060 -2.534 -25.881 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.829 -4.997 -24.879 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -36.959 -4.137 -23.358 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.322 -4.892 -25.423 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -38.776 -5.709 -25.672 1.00 0.00 H new ATOM 756 N LYS A 51 -37.453 -1.081 -23.601 1.00 0.00 N ATOM 757 CA LYS A 51 -37.512 0.157 -22.782 1.00 0.00 C ATOM 758 C LYS A 51 -36.504 0.206 -21.639 1.00 0.00 C ATOM 759 O LYS A 51 -35.769 1.179 -21.552 1.00 0.00 O ATOM 760 CB LYS A 51 -38.922 0.398 -22.228 1.00 0.00 C ATOM 761 CG LYS A 51 -39.883 0.827 -23.350 1.00 0.00 C ATOM 762 CD LYS A 51 -41.363 0.798 -22.942 1.00 0.00 C ATOM 763 CE LYS A 51 -41.877 -0.644 -22.802 1.00 0.00 C ATOM 764 NZ LYS A 51 -43.344 -0.685 -22.565 1.00 0.00 N ATOM 0 H LYS A 51 -38.376 -1.483 -23.764 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.242 0.954 -23.474 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.292 -0.511 -21.754 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -38.888 1.168 -21.457 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.624 1.836 -23.672 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.740 0.172 -24.209 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.492 1.325 -21.997 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.958 1.327 -23.686 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.639 -1.204 -23.706 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.361 -1.136 -21.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -43.654 -1.674 -22.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -43.569 -0.171 -21.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.837 -0.238 -23.364 1.00 0.00 H new ATOM 778 N LYS A 52 -36.389 -0.850 -20.828 1.00 0.00 N ATOM 779 CA LYS A 52 -35.408 -0.967 -19.721 1.00 0.00 C ATOM 780 C LYS A 52 -33.928 -0.794 -20.111 1.00 0.00 C ATOM 781 O LYS A 52 -33.079 -0.692 -19.230 1.00 0.00 O ATOM 782 CB LYS A 52 -35.630 -2.290 -18.954 1.00 0.00 C ATOM 783 CG LYS A 52 -34.988 -3.557 -19.568 1.00 0.00 C ATOM 784 CD LYS A 52 -35.499 -3.925 -20.972 1.00 0.00 C ATOM 785 CE LYS A 52 -34.776 -5.127 -21.600 1.00 0.00 C ATOM 786 NZ LYS A 52 -35.016 -6.397 -20.859 1.00 0.00 N ATOM 0 H LYS A 52 -36.986 -1.672 -20.917 1.00 0.00 H new ATOM 0 HA LYS A 52 -35.609 -0.112 -19.075 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.244 -2.167 -17.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.703 -2.459 -18.867 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -33.909 -3.413 -19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -35.168 -4.399 -18.899 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -36.565 -4.144 -20.915 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -35.386 -3.062 -21.628 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.107 -5.246 -22.632 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.705 -4.926 -21.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -34.505 -7.173 -21.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -34.676 -6.298 -19.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -36.034 -6.608 -20.852 1.00 0.00 H new ATOM 800 N LEU A 53 -33.627 -0.748 -21.411 1.00 0.00 N ATOM 801 CA LEU A 53 -32.322 -0.447 -21.998 1.00 0.00 C ATOM 802 C LEU A 53 -32.389 0.838 -22.856 1.00 0.00 C ATOM 803 O LEU A 53 -31.497 1.678 -22.763 1.00 0.00 O ATOM 804 CB LEU A 53 -31.866 -1.708 -22.764 1.00 0.00 C ATOM 805 CG LEU A 53 -30.476 -1.656 -23.427 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.365 -1.191 -22.484 1.00 0.00 C ATOM 807 CD2 LEU A 53 -30.112 -3.046 -23.949 1.00 0.00 C ATOM 0 H LEU A 53 -34.332 -0.931 -22.124 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.573 -0.223 -21.239 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.880 -2.549 -22.071 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.603 -1.920 -23.538 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.547 -0.926 -24.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.415 -1.179 -23.019 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.591 -0.188 -22.123 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.296 -1.875 -21.638 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -29.129 -3.012 -24.419 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.094 -3.753 -23.120 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.853 -3.365 -24.682 1.00 0.00 H new ATOM 819 N ALA A 54 -33.453 1.028 -23.650 1.00 0.00 N ATOM 820 CA ALA A 54 -33.741 2.245 -24.417 1.00 0.00 C ATOM 821 C ALA A 54 -33.791 3.508 -23.544 1.00 0.00 C ATOM 822 O ALA A 54 -32.989 4.419 -23.725 1.00 0.00 O ATOM 823 CB ALA A 54 -35.020 2.034 -25.238 1.00 0.00 C ATOM 0 H ALA A 54 -34.164 0.308 -23.779 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.914 2.424 -25.104 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -35.238 2.936 -25.810 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.880 1.196 -25.921 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.852 1.820 -24.567 1.00 0.00 H new ATOM 829 N LYS A 55 -34.693 3.545 -22.553 1.00 0.00 N ATOM 830 CA LYS A 55 -34.678 4.492 -21.425 1.00 0.00 C ATOM 831 C LYS A 55 -33.373 4.461 -20.659 1.00 0.00 C ATOM 832 O LYS A 55 -32.951 5.539 -20.296 1.00 0.00 O ATOM 833 CB LYS A 55 -35.838 4.232 -20.457 1.00 0.00 C ATOM 834 CG LYS A 55 -37.190 4.628 -20.986 1.00 0.00 C ATOM 835 CD LYS A 55 -37.755 5.939 -20.450 1.00 0.00 C ATOM 836 CE LYS A 55 -39.124 5.944 -21.121 1.00 0.00 C ATOM 837 NZ LYS A 55 -40.162 6.728 -20.401 1.00 0.00 N ATOM 0 H LYS A 55 -35.479 2.896 -22.512 1.00 0.00 H new ATOM 0 HA LYS A 55 -34.791 5.482 -21.867 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -35.856 3.171 -20.207 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.651 4.775 -19.531 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -37.128 4.698 -22.072 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -37.896 3.830 -20.758 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -37.826 5.946 -19.362 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -37.150 6.799 -20.736 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -39.019 6.345 -22.129 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -39.469 4.915 -21.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -41.072 6.637 -20.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.259 6.367 -19.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.883 7.729 -20.372 1.00 0.00 H new ATOM 851 N ALA A 56 -32.734 3.324 -20.366 1.00 0.00 N ATOM 852 CA ALA A 56 -31.477 3.331 -19.622 1.00 0.00 C ATOM 853 C ALA A 56 -30.439 4.217 -20.302 1.00 0.00 C ATOM 854 O ALA A 56 -29.879 5.080 -19.649 1.00 0.00 O ATOM 855 CB ALA A 56 -30.957 1.918 -19.357 1.00 0.00 C ATOM 0 H ALA A 56 -33.065 2.396 -20.631 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.678 3.767 -18.643 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.021 1.973 -18.801 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.692 1.363 -18.775 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -30.786 1.409 -20.306 1.00 0.00 H new ATOM 861 N ARG A 57 -30.241 4.051 -21.614 1.00 0.00 N ATOM 862 CA ARG A 57 -29.576 4.985 -22.524 1.00 0.00 C ATOM 863 C ARG A 57 -30.156 6.404 -22.547 1.00 0.00 C ATOM 864 O ARG A 57 -29.407 7.339 -22.288 1.00 0.00 O ATOM 865 CB ARG A 57 -29.515 4.356 -23.929 1.00 0.00 C ATOM 866 CG ARG A 57 -28.538 3.178 -24.060 1.00 0.00 C ATOM 867 CD ARG A 57 -27.080 3.577 -23.782 1.00 0.00 C ATOM 868 NE ARG A 57 -26.579 4.588 -24.752 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.523 5.908 -24.620 1.00 0.00 C ATOM 870 NH1 ARG A 57 -26.724 6.521 -23.492 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.279 6.671 -25.645 1.00 0.00 N ATOM 0 H ARG A 57 -30.560 3.211 -22.096 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.569 5.138 -22.136 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.513 4.015 -24.204 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -29.232 5.127 -24.646 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -28.832 2.390 -23.367 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -28.610 2.762 -25.065 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -27.001 3.976 -22.771 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -26.448 2.690 -23.825 1.00 0.00 H new ATOM 0 HE ARG A 57 -26.232 4.217 -25.637 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -26.937 5.985 -22.651 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -26.669 7.539 -23.448 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -26.128 6.257 -26.565 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -26.239 7.684 -25.529 1.00 0.00 H new ATOM 885 N ALA A 58 -31.434 6.591 -22.874 1.00 0.00 N ATOM 886 CA ALA A 58 -32.079 7.911 -22.995 1.00 0.00 C ATOM 887 C ALA A 58 -31.927 8.742 -21.713 1.00 0.00 C ATOM 888 O ALA A 58 -31.365 9.843 -21.734 1.00 0.00 O ATOM 889 CB ALA A 58 -33.555 7.724 -23.376 1.00 0.00 C ATOM 0 H ALA A 58 -32.069 5.817 -23.068 1.00 0.00 H new ATOM 0 HA ALA A 58 -31.578 8.472 -23.784 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -34.034 8.699 -23.466 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -33.621 7.198 -24.328 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -34.059 7.142 -22.604 1.00 0.00 H new ATOM 895 N ALA A 59 -32.338 8.137 -20.591 1.00 0.00 N ATOM 896 CA ALA A 59 -31.857 8.489 -19.253 1.00 0.00 C ATOM 897 C ALA A 59 -30.354 8.777 -19.197 1.00 0.00 C ATOM 898 O ALA A 59 -30.008 9.937 -19.080 1.00 0.00 O ATOM 899 CB ALA A 59 -32.250 7.422 -18.215 1.00 0.00 C ATOM 0 H ALA A 59 -33.022 7.380 -20.589 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.356 9.424 -18.999 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -31.877 7.715 -17.233 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.336 7.332 -18.179 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.816 6.463 -18.497 1.00 0.00 H new ATOM 905 N GLN A 60 -29.458 7.793 -19.295 1.00 0.00 N ATOM 906 CA GLN A 60 -28.004 7.958 -19.133 1.00 0.00 C ATOM 907 C GLN A 60 -27.431 9.173 -19.879 1.00 0.00 C ATOM 908 O GLN A 60 -26.696 9.955 -19.277 1.00 0.00 O ATOM 909 CB GLN A 60 -27.283 6.658 -19.548 1.00 0.00 C ATOM 910 CG GLN A 60 -27.122 5.650 -18.396 1.00 0.00 C ATOM 911 CD GLN A 60 -26.107 6.091 -17.342 1.00 0.00 C ATOM 912 OE1 GLN A 60 -26.402 6.850 -16.429 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.875 5.631 -17.416 1.00 0.00 N ATOM 0 H GLN A 60 -29.727 6.830 -19.495 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.824 8.158 -18.077 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.839 6.186 -20.358 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.298 6.908 -19.942 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -28.090 5.499 -17.917 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -26.815 4.688 -18.805 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.612 4.997 -18.171 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.184 5.909 -16.719 1.00 0.00 H new ATOM 922 N SER A 61 -27.807 9.373 -21.145 1.00 0.00 N ATOM 923 CA SER A 61 -27.513 10.579 -21.927 1.00 0.00 C ATOM 924 C SER A 61 -27.996 11.869 -21.242 1.00 0.00 C ATOM 925 O SER A 61 -27.179 12.722 -20.873 1.00 0.00 O ATOM 926 CB SER A 61 -28.112 10.449 -23.333 1.00 0.00 C ATOM 927 OG SER A 61 -27.615 9.296 -24.003 1.00 0.00 O ATOM 0 H SER A 61 -28.340 8.680 -21.671 1.00 0.00 H new ATOM 0 HA SER A 61 -26.429 10.661 -22.001 1.00 0.00 H new ATOM 0 HB2 SER A 61 -29.198 10.392 -23.264 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.876 11.340 -23.915 1.00 0.00 H new ATOM 0 HG SER A 61 -28.015 9.238 -24.896 1.00 0.00 H new ATOM 933 N ALA A 62 -29.316 12.013 -21.060 1.00 0.00 N ATOM 934 CA ALA A 62 -29.932 13.165 -20.400 1.00 0.00 C ATOM 935 C ALA A 62 -29.372 13.414 -18.991 1.00 0.00 C ATOM 936 O ALA A 62 -28.795 14.464 -18.725 1.00 0.00 O ATOM 937 CB ALA A 62 -31.445 12.941 -20.388 1.00 0.00 C ATOM 0 H ALA A 62 -29.994 11.319 -21.374 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.693 14.071 -20.957 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.934 13.785 -19.901 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.808 12.853 -21.412 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.673 12.025 -19.842 1.00 0.00 H new ATOM 943 N LEU A 63 -29.520 12.411 -18.126 1.00 0.00 N ATOM 944 CA LEU A 63 -29.081 12.302 -16.741 1.00 0.00 C ATOM 945 C LEU A 63 -27.632 12.786 -16.577 1.00 0.00 C ATOM 946 O LEU A 63 -27.407 13.799 -15.924 1.00 0.00 O ATOM 947 CB LEU A 63 -29.267 10.831 -16.312 1.00 0.00 C ATOM 948 CG LEU A 63 -29.268 10.598 -14.799 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.568 11.135 -14.207 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.237 9.100 -14.504 1.00 0.00 C ATOM 0 H LEU A 63 -30.005 11.562 -18.415 1.00 0.00 H new ATOM 0 HA LEU A 63 -29.677 12.946 -16.094 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -30.208 10.464 -16.722 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -28.471 10.234 -16.757 1.00 0.00 H new ATOM 0 HG LEU A 63 -28.398 11.097 -14.373 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -30.572 10.971 -13.129 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.647 12.203 -14.412 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.414 10.616 -14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -29.238 8.941 -13.426 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -30.115 8.625 -14.941 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.336 8.663 -14.934 1.00 0.00 H new ATOM 962 N ALA A 64 -26.658 12.121 -17.211 1.00 0.00 N ATOM 963 CA ALA A 64 -25.256 12.547 -17.197 1.00 0.00 C ATOM 964 C ALA A 64 -25.057 13.995 -17.683 1.00 0.00 C ATOM 965 O ALA A 64 -24.321 14.749 -17.039 1.00 0.00 O ATOM 966 CB ALA A 64 -24.399 11.564 -18.002 1.00 0.00 C ATOM 0 H ALA A 64 -26.822 11.270 -17.749 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.928 12.537 -16.158 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -23.359 11.890 -17.985 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -24.475 10.570 -17.562 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.753 11.532 -19.033 1.00 0.00 H new ATOM 972 N THR A 65 -25.704 14.396 -18.789 1.00 0.00 N ATOM 973 CA THR A 65 -25.672 15.792 -19.268 1.00 0.00 C ATOM 974 C THR A 65 -26.131 16.787 -18.196 1.00 0.00 C ATOM 975 O THR A 65 -25.308 17.547 -17.682 1.00 0.00 O ATOM 976 CB THR A 65 -26.433 15.988 -20.593 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.891 15.129 -21.573 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.299 17.418 -21.130 1.00 0.00 C ATOM 0 H THR A 65 -26.259 13.771 -19.373 1.00 0.00 H new ATOM 0 HA THR A 65 -24.625 16.010 -19.478 1.00 0.00 H new ATOM 0 HB THR A 65 -27.483 15.774 -20.392 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.254 14.227 -21.454 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.852 17.509 -22.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.703 18.120 -20.400 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.247 17.643 -21.307 1.00 0.00 H new ATOM 986 N VAL A 66 -27.415 16.794 -17.811 1.00 0.00 N ATOM 987 CA VAL A 66 -27.922 17.727 -16.786 1.00 0.00 C ATOM 988 C VAL A 66 -27.150 17.646 -15.463 1.00 0.00 C ATOM 989 O VAL A 66 -26.951 18.662 -14.804 1.00 0.00 O ATOM 990 CB VAL A 66 -29.448 17.642 -16.551 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.208 18.259 -17.728 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.023 16.240 -16.312 1.00 0.00 C ATOM 0 H VAL A 66 -28.123 16.166 -18.191 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.735 18.713 -17.212 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.588 18.195 -15.622 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.280 18.190 -17.545 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.925 19.306 -17.835 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.961 17.721 -18.643 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.100 16.310 -16.160 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.818 15.610 -17.178 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.560 15.803 -15.428 1.00 0.00 H new ATOM 1002 N PHE A 67 -26.689 16.467 -15.048 1.00 0.00 N ATOM 1003 CA PHE A 67 -25.852 16.304 -13.855 1.00 0.00 C ATOM 1004 C PHE A 67 -24.487 17.002 -13.946 1.00 0.00 C ATOM 1005 O PHE A 67 -24.057 17.624 -12.975 1.00 0.00 O ATOM 1006 CB PHE A 67 -25.773 14.837 -13.436 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.073 14.226 -12.911 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.329 14.837 -13.124 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.027 13.002 -12.215 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.504 14.215 -12.699 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.208 12.407 -11.730 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.452 13.021 -11.964 1.00 0.00 C ATOM 0 H PHE A 67 -26.886 15.591 -15.532 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.352 16.837 -13.046 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.438 14.251 -14.292 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.010 14.739 -12.664 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.380 15.795 -13.621 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.077 12.515 -12.052 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.460 14.656 -12.938 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.159 11.480 -11.179 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.359 12.577 -11.581 1.00 0.00 H new ATOM 1022 N ASN A 68 -23.810 16.954 -15.102 1.00 0.00 N ATOM 1023 CA ASN A 68 -22.709 17.872 -15.425 1.00 0.00 C ATOM 1024 C ASN A 68 -23.126 19.358 -15.317 1.00 0.00 C ATOM 1025 O ASN A 68 -22.362 20.176 -14.800 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.114 17.508 -16.797 1.00 0.00 C ATOM 1027 CG ASN A 68 -20.909 18.369 -17.135 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -19.814 18.176 -16.628 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -21.070 19.352 -17.995 1.00 0.00 N ATOM 0 H ASN A 68 -24.010 16.278 -15.839 1.00 0.00 H new ATOM 0 HA ASN A 68 -21.925 17.749 -14.678 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -21.823 16.458 -16.800 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -22.875 17.630 -17.567 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.281 19.952 -18.238 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -21.983 19.514 -18.419 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.349 19.698 -15.751 1.00 0.00 N ATOM 1037 CA LEU A 69 -24.973 21.025 -15.528 1.00 0.00 C ATOM 1038 C LEU A 69 -25.526 21.264 -14.120 1.00 0.00 C ATOM 1039 O LEU A 69 -26.040 22.346 -13.834 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.092 21.302 -16.552 1.00 0.00 C ATOM 1041 CG LEU A 69 -25.814 20.882 -17.997 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -26.997 21.275 -18.875 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -24.567 21.561 -18.570 1.00 0.00 C ATOM 0 H LEU A 69 -24.945 19.056 -16.274 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.144 21.721 -15.659 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -26.995 20.793 -16.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.306 22.371 -16.542 1.00 0.00 H new ATOM 0 HG LEU A 69 -25.656 19.804 -17.991 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -26.801 20.977 -19.905 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -27.897 20.775 -18.518 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -27.140 22.355 -18.831 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -24.412 21.231 -19.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -24.701 22.643 -18.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -23.698 21.294 -17.968 1.00 0.00 H new