USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=10 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= 0.735 K(o=0.74,f=-5.7!) USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= 1.19 (180deg=1.09) USER MOD Single : A 19 TYR OH : rot 130:sc= 0.0473 USER MOD Single : A 23 SER OG : rot 117:sc= 0.12 USER MOD Single : A 35 MET CE :methyl -179:sc= -1.12 (180deg=-1.16) USER MOD Single : A 36 SER OG : rot -135:sc= 1.17 USER MOD Single : A 42 GLN : amide:sc= 1.01 K(o=1,f=-0.3) USER MOD Single : A 47 SER OG : rot 112:sc= 0.746 USER MOD Single : A 50 ASN : amide:sc= 0.62 K(o=0.62,f=-5.2!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -168:sc=-0.00467 (180deg=-0.116) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 0.831 (180deg=0.23) USER MOD Single : A 60 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 61 SER OG : rot 78:sc= 0.788 USER MOD Single : A 65 THR OG1 : rot 81:sc= 0.741 USER MOD Single : A 68 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N PRO A 6 -31.068 4.025 -14.059 1.00 0.00 N ATOM 70 CA PRO A 6 -31.095 5.327 -14.718 1.00 0.00 C ATOM 71 C PRO A 6 -32.472 5.721 -15.247 1.00 0.00 C ATOM 72 O PRO A 6 -32.825 6.894 -15.130 1.00 0.00 O ATOM 73 CB PRO A 6 -30.053 5.256 -15.840 1.00 0.00 C ATOM 74 CG PRO A 6 -30.057 3.768 -16.178 1.00 0.00 C ATOM 75 CD PRO A 6 -30.229 3.105 -14.811 1.00 0.00 C ATOM 0 HA PRO A 6 -30.861 6.110 -13.997 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -30.332 5.870 -16.696 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -29.072 5.597 -15.509 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -30.870 3.511 -16.857 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -29.129 3.461 -16.661 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.698 2.125 -14.902 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -29.268 2.954 -14.320 1.00 0.00 H new ATOM 83 N VAL A 7 -33.279 4.769 -15.748 1.00 0.00 N ATOM 84 CA VAL A 7 -34.684 5.053 -16.092 1.00 0.00 C ATOM 85 C VAL A 7 -35.371 5.632 -14.867 1.00 0.00 C ATOM 86 O VAL A 7 -35.943 6.712 -14.910 1.00 0.00 O ATOM 87 CB VAL A 7 -35.495 3.839 -16.592 1.00 0.00 C ATOM 88 CG1 VAL A 7 -36.972 4.168 -16.846 1.00 0.00 C ATOM 89 CG2 VAL A 7 -34.759 3.096 -17.693 1.00 0.00 C ATOM 0 H VAL A 7 -32.987 3.807 -15.922 1.00 0.00 H new ATOM 0 HA VAL A 7 -34.655 5.752 -16.928 1.00 0.00 H new ATOM 0 HB VAL A 7 -35.563 3.110 -15.785 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -37.489 3.274 -17.196 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -37.432 4.514 -15.921 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -37.046 4.949 -17.602 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -35.358 2.247 -18.022 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -34.589 3.768 -18.534 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -33.801 2.739 -17.314 1.00 0.00 H new ATOM 99 N MET A 8 -35.266 4.914 -13.758 1.00 0.00 N ATOM 100 CA MET A 8 -35.843 5.276 -12.478 1.00 0.00 C ATOM 101 C MET A 8 -35.436 6.660 -11.946 1.00 0.00 C ATOM 102 O MET A 8 -36.324 7.445 -11.627 1.00 0.00 O ATOM 103 CB MET A 8 -35.551 4.134 -11.516 1.00 0.00 C ATOM 104 CG MET A 8 -36.473 4.173 -10.300 1.00 0.00 C ATOM 105 SD MET A 8 -35.984 5.348 -9.011 1.00 0.00 S ATOM 106 CE MET A 8 -37.459 5.303 -7.960 1.00 0.00 C ATOM 0 H MET A 8 -34.757 4.031 -13.727 1.00 0.00 H new ATOM 0 HA MET A 8 -36.919 5.402 -12.598 1.00 0.00 H new ATOM 0 HB2 MET A 8 -35.671 3.182 -12.033 1.00 0.00 H new ATOM 0 HB3 MET A 8 -34.513 4.190 -11.188 1.00 0.00 H new ATOM 0 HG2 MET A 8 -37.481 4.421 -10.634 1.00 0.00 H new ATOM 0 HG3 MET A 8 -36.518 3.175 -9.864 1.00 0.00 H new ATOM 0 HE1 MET A 8 -37.323 5.976 -7.113 1.00 0.00 H new ATOM 0 HE2 MET A 8 -38.328 5.618 -8.538 1.00 0.00 H new ATOM 0 HE3 MET A 8 -37.615 4.288 -7.595 1.00 0.00 H new ATOM 116 N ILE A 9 -34.144 6.983 -11.795 1.00 0.00 N ATOM 117 CA ILE A 9 -33.730 8.341 -11.399 1.00 0.00 C ATOM 118 C ILE A 9 -34.197 9.445 -12.347 1.00 0.00 C ATOM 119 O ILE A 9 -34.693 10.467 -11.878 1.00 0.00 O ATOM 120 CB ILE A 9 -32.246 8.483 -11.017 1.00 0.00 C ATOM 121 CG1 ILE A 9 -31.282 7.861 -12.034 1.00 0.00 C ATOM 122 CG2 ILE A 9 -32.056 7.851 -9.632 1.00 0.00 C ATOM 123 CD1 ILE A 9 -29.883 8.474 -11.970 1.00 0.00 C ATOM 0 H ILE A 9 -33.373 6.331 -11.939 1.00 0.00 H new ATOM 0 HA ILE A 9 -34.278 8.496 -10.470 1.00 0.00 H new ATOM 0 HB ILE A 9 -31.999 9.545 -11.007 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -31.213 6.788 -11.854 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -31.686 7.991 -13.038 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -31.011 7.936 -9.333 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -32.684 8.368 -8.907 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -32.337 6.799 -9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.242 7.996 -12.711 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.944 9.542 -12.178 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -29.464 8.321 -10.976 1.00 0.00 H new ATOM 135 N LEU A 10 -34.024 9.286 -13.665 1.00 0.00 N ATOM 136 CA LEU A 10 -34.549 10.249 -14.644 1.00 0.00 C ATOM 137 C LEU A 10 -36.058 10.488 -14.517 1.00 0.00 C ATOM 138 O LEU A 10 -36.528 11.626 -14.464 1.00 0.00 O ATOM 139 CB LEU A 10 -33.990 9.919 -16.041 1.00 0.00 C ATOM 140 CG LEU A 10 -34.779 9.731 -17.347 1.00 0.00 C ATOM 141 CD1 LEU A 10 -35.632 8.481 -17.413 1.00 0.00 C ATOM 142 CD2 LEU A 10 -35.574 10.946 -17.753 1.00 0.00 C ATOM 0 H LEU A 10 -33.524 8.499 -14.079 1.00 0.00 H new ATOM 0 HA LEU A 10 -34.178 11.250 -14.422 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -33.268 10.707 -16.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -33.425 8.996 -15.912 1.00 0.00 H new ATOM 0 HG LEU A 10 -33.987 9.590 -18.083 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -36.147 8.442 -18.373 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -34.997 7.601 -17.306 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -36.366 8.499 -16.608 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -36.104 10.740 -18.683 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -36.293 11.188 -16.971 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -34.900 11.790 -17.899 1.00 0.00 H new ATOM 154 N ASN A 11 -36.793 9.389 -14.403 1.00 0.00 N ATOM 155 CA ASN A 11 -38.223 9.328 -14.129 1.00 0.00 C ATOM 156 C ASN A 11 -38.605 10.086 -12.846 1.00 0.00 C ATOM 157 O ASN A 11 -39.472 10.952 -12.856 1.00 0.00 O ATOM 158 CB ASN A 11 -38.569 7.834 -14.056 1.00 0.00 C ATOM 159 CG ASN A 11 -39.963 7.523 -13.547 1.00 0.00 C ATOM 160 OD1 ASN A 11 -40.951 7.670 -14.253 1.00 0.00 O ATOM 161 ND2 ASN A 11 -40.094 7.093 -12.314 1.00 0.00 N ATOM 0 H ASN A 11 -36.382 8.461 -14.506 1.00 0.00 H new ATOM 0 HA ASN A 11 -38.796 9.823 -14.912 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -38.457 7.401 -15.050 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -37.844 7.340 -13.410 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -41.020 6.881 -11.944 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -39.269 6.971 -11.726 1.00 0.00 H new ATOM 168 N GLU A 12 -37.957 9.736 -11.739 1.00 0.00 N ATOM 169 CA GLU A 12 -38.082 10.360 -10.423 1.00 0.00 C ATOM 170 C GLU A 12 -37.813 11.879 -10.441 1.00 0.00 C ATOM 171 O GLU A 12 -38.690 12.665 -10.073 1.00 0.00 O ATOM 172 CB GLU A 12 -37.144 9.587 -9.482 1.00 0.00 C ATOM 173 CG GLU A 12 -36.970 10.183 -8.081 1.00 0.00 C ATOM 174 CD GLU A 12 -35.904 9.404 -7.299 1.00 0.00 C ATOM 175 OE1 GLU A 12 -36.226 8.421 -6.595 1.00 0.00 O ATOM 176 OE2 GLU A 12 -34.707 9.770 -7.355 1.00 0.00 O ATOM 0 H GLU A 12 -37.291 8.964 -11.735 1.00 0.00 H new ATOM 0 HA GLU A 12 -39.111 10.295 -10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -37.520 8.569 -9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -36.163 9.519 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -36.681 11.231 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -37.919 10.152 -7.545 1.00 0.00 H new ATOM 183 N LEU A 13 -36.601 12.301 -10.833 1.00 0.00 N ATOM 184 CA LEU A 13 -36.221 13.713 -10.987 1.00 0.00 C ATOM 185 C LEU A 13 -37.128 14.523 -11.933 1.00 0.00 C ATOM 186 O LEU A 13 -37.350 15.711 -11.687 1.00 0.00 O ATOM 187 CB LEU A 13 -34.732 13.866 -11.340 1.00 0.00 C ATOM 188 CG LEU A 13 -33.742 13.434 -10.234 1.00 0.00 C ATOM 189 CD1 LEU A 13 -32.408 14.133 -10.476 1.00 0.00 C ATOM 190 CD2 LEU A 13 -34.148 13.801 -8.804 1.00 0.00 C ATOM 0 H LEU A 13 -35.842 11.657 -11.056 1.00 0.00 H new ATOM 0 HA LEU A 13 -36.382 14.158 -10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -34.526 13.282 -12.237 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -34.540 14.910 -11.589 1.00 0.00 H new ATOM 0 HG LEU A 13 -33.708 12.347 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -31.698 13.839 -9.703 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -32.020 13.848 -11.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -32.552 15.213 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -33.385 13.452 -8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -34.248 14.883 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -35.101 13.329 -8.564 1.00 0.00 H new ATOM 202 N ARG A 14 -37.637 13.892 -13.005 1.00 0.00 N ATOM 203 CA ARG A 14 -38.469 14.482 -14.077 1.00 0.00 C ATOM 204 C ARG A 14 -38.079 15.932 -14.474 1.00 0.00 C ATOM 205 O ARG A 14 -38.919 16.827 -14.350 1.00 0.00 O ATOM 206 CB ARG A 14 -39.959 14.344 -13.680 1.00 0.00 C ATOM 207 CG ARG A 14 -40.926 14.408 -14.880 1.00 0.00 C ATOM 208 CD ARG A 14 -41.080 13.058 -15.597 1.00 0.00 C ATOM 209 NE ARG A 14 -41.856 12.110 -14.775 1.00 0.00 N ATOM 210 CZ ARG A 14 -41.820 10.792 -14.826 1.00 0.00 C ATOM 211 NH1 ARG A 14 -41.152 10.129 -15.725 1.00 0.00 N ATOM 212 NH2 ARG A 14 -42.461 10.081 -13.946 1.00 0.00 N ATOM 0 H ARG A 14 -37.471 12.897 -13.159 1.00 0.00 H new ATOM 0 HA ARG A 14 -38.281 13.920 -14.992 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -40.101 13.397 -13.159 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -40.214 15.136 -12.976 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -41.904 14.744 -14.535 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -40.566 15.152 -15.591 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -41.577 13.206 -16.556 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -40.096 12.640 -15.809 1.00 0.00 H new ATOM 0 HE ARG A 14 -42.492 12.519 -14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -40.621 10.629 -16.438 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -41.160 9.109 -15.717 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -42.996 10.542 -13.210 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -42.429 9.063 -13.992 1.00 0.00 H new ATOM 226 N PRO A 15 -36.831 16.207 -14.920 1.00 0.00 N ATOM 227 CA PRO A 15 -36.337 17.559 -15.240 1.00 0.00 C ATOM 228 C PRO A 15 -36.979 18.220 -16.488 1.00 0.00 C ATOM 229 O PRO A 15 -36.325 18.475 -17.502 1.00 0.00 O ATOM 230 CB PRO A 15 -34.806 17.432 -15.297 1.00 0.00 C ATOM 231 CG PRO A 15 -34.564 15.972 -15.663 1.00 0.00 C ATOM 232 CD PRO A 15 -35.729 15.250 -14.995 1.00 0.00 C ATOM 0 HA PRO A 15 -36.642 18.267 -14.469 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -34.378 18.105 -16.040 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -34.350 17.683 -14.339 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -34.563 15.822 -16.743 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -33.603 15.617 -15.291 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -36.019 14.370 -15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -35.450 14.903 -14.000 1.00 0.00 H new ATOM 240 N GLY A 16 -38.282 18.510 -16.419 1.00 0.00 N ATOM 241 CA GLY A 16 -39.048 19.266 -17.419 1.00 0.00 C ATOM 242 C GLY A 16 -39.181 18.578 -18.784 1.00 0.00 C ATOM 243 O GLY A 16 -39.241 19.265 -19.806 1.00 0.00 O ATOM 0 H GLY A 16 -38.858 18.212 -15.632 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -40.046 19.455 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -38.573 20.237 -17.562 1.00 0.00 H new ATOM 247 N LEU A 17 -39.175 17.239 -18.820 1.00 0.00 N ATOM 248 CA LEU A 17 -38.942 16.459 -20.028 1.00 0.00 C ATOM 249 C LEU A 17 -40.190 15.801 -20.635 1.00 0.00 C ATOM 250 O LEU A 17 -41.245 15.694 -20.002 1.00 0.00 O ATOM 251 CB LEU A 17 -37.814 15.466 -19.727 1.00 0.00 C ATOM 252 CG LEU A 17 -38.000 14.555 -18.507 1.00 0.00 C ATOM 253 CD1 LEU A 17 -39.058 13.472 -18.682 1.00 0.00 C ATOM 254 CD2 LEU A 17 -36.666 13.879 -18.280 1.00 0.00 C ATOM 0 H LEU A 17 -39.335 16.664 -17.993 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.643 17.142 -20.824 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -37.675 14.834 -20.604 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -36.892 16.031 -19.591 1.00 0.00 H new ATOM 0 HG LEU A 17 -38.338 15.172 -17.675 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -39.122 12.876 -17.772 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -40.024 13.936 -18.881 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -38.785 12.829 -19.519 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -36.737 13.214 -17.419 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -36.396 13.301 -19.164 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -35.903 14.634 -18.093 1.00 0.00 H new ATOM 266 N LYS A 18 -40.033 15.336 -21.876 1.00 0.00 N ATOM 267 CA LYS A 18 -40.934 14.424 -22.593 1.00 0.00 C ATOM 268 C LYS A 18 -40.170 13.322 -23.314 1.00 0.00 C ATOM 269 O LYS A 18 -39.053 13.550 -23.784 1.00 0.00 O ATOM 270 CB LYS A 18 -41.938 15.148 -23.500 1.00 0.00 C ATOM 271 CG LYS A 18 -41.393 16.058 -24.618 1.00 0.00 C ATOM 272 CD LYS A 18 -40.992 15.318 -25.904 1.00 0.00 C ATOM 273 CE LYS A 18 -40.835 16.327 -27.048 1.00 0.00 C ATOM 274 NZ LYS A 18 -40.461 15.651 -28.312 1.00 0.00 N ATOM 0 H LYS A 18 -39.227 15.600 -22.443 1.00 0.00 H new ATOM 0 HA LYS A 18 -41.543 13.937 -21.831 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -42.570 14.392 -23.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -42.583 15.754 -22.864 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -42.150 16.803 -24.864 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -40.525 16.598 -24.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -40.057 14.779 -25.750 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -41.749 14.577 -26.160 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -41.769 16.872 -27.187 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -40.073 17.062 -26.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -40.197 16.364 -29.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -39.654 15.017 -28.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -41.269 15.097 -28.661 1.00 0.00 H new ATOM 288 N TYR A 19 -40.771 12.135 -23.373 1.00 0.00 N ATOM 289 CA TYR A 19 -40.199 10.970 -24.042 1.00 0.00 C ATOM 290 C TYR A 19 -40.902 10.722 -25.381 1.00 0.00 C ATOM 291 O TYR A 19 -42.130 10.625 -25.461 1.00 0.00 O ATOM 292 CB TYR A 19 -40.320 9.711 -23.171 1.00 0.00 C ATOM 293 CG TYR A 19 -39.907 9.845 -21.727 1.00 0.00 C ATOM 294 CD1 TYR A 19 -40.826 10.301 -20.763 1.00 0.00 C ATOM 295 CD2 TYR A 19 -38.612 9.472 -21.343 1.00 0.00 C ATOM 296 CE1 TYR A 19 -40.440 10.398 -19.414 1.00 0.00 C ATOM 297 CE2 TYR A 19 -38.221 9.563 -19.999 1.00 0.00 C ATOM 298 CZ TYR A 19 -39.142 10.013 -19.023 1.00 0.00 C ATOM 299 OH TYR A 19 -38.807 10.080 -17.709 1.00 0.00 O ATOM 0 H TYR A 19 -41.682 11.954 -22.951 1.00 0.00 H new ATOM 0 HA TYR A 19 -39.143 11.179 -24.214 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -41.357 9.376 -23.199 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -39.719 8.924 -23.625 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -41.827 10.576 -21.059 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -37.913 9.113 -22.084 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -41.138 10.768 -18.678 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -37.217 9.290 -19.709 1.00 0.00 H new ATOM 0 HH TYR A 19 -38.408 9.230 -17.429 1.00 0.00 H new ATOM 309 N ASP A 20 -40.099 10.584 -26.428 1.00 0.00 N ATOM 310 CA ASP A 20 -40.497 10.169 -27.776 1.00 0.00 C ATOM 311 C ASP A 20 -40.060 8.719 -28.008 1.00 0.00 C ATOM 312 O ASP A 20 -38.919 8.367 -27.709 1.00 0.00 O ATOM 313 CB ASP A 20 -39.811 11.059 -28.821 1.00 0.00 C ATOM 314 CG ASP A 20 -40.074 12.548 -28.593 1.00 0.00 C ATOM 315 OD1 ASP A 20 -41.214 13.014 -28.829 1.00 0.00 O ATOM 316 OD2 ASP A 20 -39.134 13.279 -28.201 1.00 0.00 O ATOM 0 H ASP A 20 -39.098 10.767 -26.361 1.00 0.00 H new ATOM 0 HA ASP A 20 -41.579 10.259 -27.870 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -38.737 10.877 -28.798 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -40.161 10.781 -29.815 1.00 0.00 H new ATOM 321 N PHE A 21 -40.940 7.882 -28.560 1.00 0.00 N ATOM 322 CA PHE A 21 -40.657 6.469 -28.830 1.00 0.00 C ATOM 323 C PHE A 21 -40.622 6.196 -30.332 1.00 0.00 C ATOM 324 O PHE A 21 -41.547 6.506 -31.090 1.00 0.00 O ATOM 325 CB PHE A 21 -41.666 5.573 -28.107 1.00 0.00 C ATOM 326 CG PHE A 21 -41.375 4.098 -28.316 1.00 0.00 C ATOM 327 CD1 PHE A 21 -40.188 3.534 -27.810 1.00 0.00 C ATOM 328 CD2 PHE A 21 -42.253 3.304 -29.078 1.00 0.00 C ATOM 329 CE1 PHE A 21 -39.885 2.185 -28.056 1.00 0.00 C ATOM 330 CE2 PHE A 21 -41.948 1.953 -29.323 1.00 0.00 C ATOM 331 CZ PHE A 21 -40.769 1.391 -28.807 1.00 0.00 C ATOM 0 H PHE A 21 -41.880 8.168 -28.836 1.00 0.00 H new ATOM 0 HA PHE A 21 -39.668 6.231 -28.440 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -41.650 5.797 -27.040 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -42.671 5.798 -28.465 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -39.508 4.141 -27.231 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -43.161 3.733 -29.475 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -38.972 1.757 -27.668 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -42.622 1.346 -29.909 1.00 0.00 H new ATOM 0 HZ PHE A 21 -40.542 0.351 -28.987 1.00 0.00 H new ATOM 341 N LEU A 22 -39.502 5.607 -30.723 1.00 0.00 N ATOM 342 CA LEU A 22 -39.027 5.299 -32.056 1.00 0.00 C ATOM 343 C LEU A 22 -38.590 3.823 -32.021 1.00 0.00 C ATOM 344 O LEU A 22 -38.275 3.267 -30.972 1.00 0.00 O ATOM 345 CB LEU A 22 -37.844 6.206 -32.496 1.00 0.00 C ATOM 346 CG LEU A 22 -37.702 7.690 -32.079 1.00 0.00 C ATOM 347 CD1 LEU A 22 -38.918 8.564 -32.373 1.00 0.00 C ATOM 348 CD2 LEU A 22 -37.281 7.903 -30.628 1.00 0.00 C ATOM 0 H LEU A 22 -38.826 5.298 -30.025 1.00 0.00 H new ATOM 0 HA LEU A 22 -39.818 5.478 -32.784 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -36.934 5.706 -32.164 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -37.836 6.192 -33.586 1.00 0.00 H new ATOM 0 HG LEU A 22 -36.889 8.017 -32.728 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -38.721 9.584 -32.045 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -39.119 8.560 -33.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -39.785 8.173 -31.840 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -37.206 8.971 -30.424 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -38.023 7.458 -29.965 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -36.313 7.433 -30.457 1.00 0.00 H new ATOM 360 N SER A 23 -38.591 3.135 -33.149 1.00 0.00 N ATOM 361 CA SER A 23 -37.881 1.851 -33.255 1.00 0.00 C ATOM 362 C SER A 23 -37.068 1.807 -34.539 1.00 0.00 C ATOM 363 O SER A 23 -37.599 2.007 -35.634 1.00 0.00 O ATOM 364 CB SER A 23 -38.860 0.705 -33.078 1.00 0.00 C ATOM 365 OG SER A 23 -38.195 -0.539 -33.188 1.00 0.00 O ATOM 0 H SER A 23 -39.067 3.431 -34.001 1.00 0.00 H new ATOM 0 HA SER A 23 -37.154 1.742 -32.451 1.00 0.00 H new ATOM 0 HB2 SER A 23 -39.344 0.780 -32.104 1.00 0.00 H new ATOM 0 HB3 SER A 23 -39.646 0.771 -33.830 1.00 0.00 H new ATOM 0 HG SER A 23 -38.258 -1.020 -32.336 1.00 0.00 H new ATOM 490 N PHE A 33 -35.159 -0.784 -30.143 1.00 0.00 N ATOM 491 CA PHE A 33 -36.218 0.180 -29.970 1.00 0.00 C ATOM 492 C PHE A 33 -35.553 1.375 -29.318 1.00 0.00 C ATOM 493 O PHE A 33 -34.711 1.247 -28.426 1.00 0.00 O ATOM 494 CB PHE A 33 -37.317 -0.354 -29.041 1.00 0.00 C ATOM 495 CG PHE A 33 -37.836 -1.770 -29.223 1.00 0.00 C ATOM 496 CD1 PHE A 33 -37.660 -2.509 -30.411 1.00 0.00 C ATOM 497 CD2 PHE A 33 -38.530 -2.350 -28.147 1.00 0.00 C ATOM 498 CE1 PHE A 33 -38.135 -3.829 -30.501 1.00 0.00 C ATOM 499 CE2 PHE A 33 -39.006 -3.668 -28.232 1.00 0.00 C ATOM 500 CZ PHE A 33 -38.802 -4.413 -29.409 1.00 0.00 C ATOM 0 HA PHE A 33 -36.693 0.416 -30.922 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -36.947 -0.272 -28.019 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -38.170 0.319 -29.126 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -37.158 -2.059 -31.255 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -38.698 -1.777 -27.247 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -37.988 -4.395 -31.409 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -39.528 -4.110 -27.396 1.00 0.00 H new ATOM 0 HZ PHE A 33 -39.157 -5.431 -29.473 1.00 0.00 H new ATOM 510 N VAL A 34 -35.868 2.547 -29.842 1.00 0.00 N ATOM 511 CA VAL A 34 -35.166 3.760 -29.481 1.00 0.00 C ATOM 512 C VAL A 34 -36.090 4.695 -28.724 1.00 0.00 C ATOM 513 O VAL A 34 -37.181 5.055 -29.152 1.00 0.00 O ATOM 514 CB VAL A 34 -34.521 4.384 -30.718 1.00 0.00 C ATOM 515 CG1 VAL A 34 -33.641 5.544 -30.311 1.00 0.00 C ATOM 516 CG2 VAL A 34 -33.586 3.384 -31.393 1.00 0.00 C ATOM 0 H VAL A 34 -36.613 2.681 -30.525 1.00 0.00 H new ATOM 0 HA VAL A 34 -34.347 3.533 -28.799 1.00 0.00 H new ATOM 0 HB VAL A 34 -35.328 4.693 -31.383 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -33.185 5.983 -31.198 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -34.243 6.297 -29.802 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -32.859 5.190 -29.639 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.135 3.844 -32.272 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -32.802 3.090 -30.695 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -34.152 2.503 -31.695 1.00 0.00 H new ATOM 526 N MET A 35 -35.605 5.108 -27.568 1.00 0.00 N ATOM 527 CA MET A 35 -36.254 6.145 -26.765 1.00 0.00 C ATOM 528 C MET A 35 -35.447 7.418 -26.923 1.00 0.00 C ATOM 529 O MET A 35 -34.225 7.387 -26.820 1.00 0.00 O ATOM 530 CB MET A 35 -36.312 5.741 -25.283 1.00 0.00 C ATOM 531 CG MET A 35 -37.372 4.668 -24.996 1.00 0.00 C ATOM 532 SD MET A 35 -38.983 5.199 -24.343 1.00 0.00 S ATOM 533 CE MET A 35 -39.392 6.637 -25.343 1.00 0.00 C ATOM 0 H MET A 35 -34.750 4.738 -27.153 1.00 0.00 H new ATOM 0 HA MET A 35 -37.280 6.289 -27.105 1.00 0.00 H new ATOM 0 HB2 MET A 35 -35.335 5.370 -24.974 1.00 0.00 H new ATOM 0 HB3 MET A 35 -36.523 6.624 -24.679 1.00 0.00 H new ATOM 0 HG2 MET A 35 -37.552 4.123 -25.923 1.00 0.00 H new ATOM 0 HG3 MET A 35 -36.944 3.959 -24.287 1.00 0.00 H new ATOM 0 HE1 MET A 35 -40.347 7.048 -25.015 1.00 0.00 H new ATOM 0 HE2 MET A 35 -38.614 7.392 -25.230 1.00 0.00 H new ATOM 0 HE3 MET A 35 -39.464 6.343 -26.390 1.00 0.00 H new ATOM 543 N SER A 36 -36.120 8.540 -27.132 1.00 0.00 N ATOM 544 CA SER A 36 -35.486 9.852 -27.126 1.00 0.00 C ATOM 545 C SER A 36 -36.142 10.760 -26.090 1.00 0.00 C ATOM 546 O SER A 36 -37.363 10.788 -25.988 1.00 0.00 O ATOM 547 CB SER A 36 -35.514 10.504 -28.501 1.00 0.00 C ATOM 548 OG SER A 36 -34.715 9.807 -29.426 1.00 0.00 O ATOM 0 H SER A 36 -37.124 8.567 -27.311 1.00 0.00 H new ATOM 0 HA SER A 36 -34.440 9.706 -26.855 1.00 0.00 H new ATOM 0 HB2 SER A 36 -36.541 10.543 -28.864 1.00 0.00 H new ATOM 0 HB3 SER A 36 -35.165 11.534 -28.422 1.00 0.00 H new ATOM 0 HG SER A 36 -34.174 10.445 -29.937 1.00 0.00 H new ATOM 554 N VAL A 37 -35.359 11.492 -25.298 1.00 0.00 N ATOM 555 CA VAL A 37 -35.872 12.523 -24.377 1.00 0.00 C ATOM 556 C VAL A 37 -35.523 13.922 -24.856 1.00 0.00 C ATOM 557 O VAL A 37 -34.373 14.189 -25.211 1.00 0.00 O ATOM 558 CB VAL A 37 -35.458 12.375 -22.900 1.00 0.00 C ATOM 559 CG1 VAL A 37 -36.295 11.360 -22.152 1.00 0.00 C ATOM 560 CG2 VAL A 37 -33.969 12.099 -22.674 1.00 0.00 C ATOM 0 H VAL A 37 -34.344 11.391 -25.272 1.00 0.00 H new ATOM 0 HA VAL A 37 -36.950 12.363 -24.401 1.00 0.00 H new ATOM 0 HB VAL A 37 -35.655 13.364 -22.485 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -35.956 11.300 -21.118 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -37.341 11.664 -22.174 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -36.191 10.383 -22.625 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -33.773 12.010 -21.605 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -33.692 11.170 -23.172 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -33.381 12.920 -23.084 1.00 0.00 H new ATOM 570 N VAL A 38 -36.508 14.820 -24.786 1.00 0.00 N ATOM 571 CA VAL A 38 -36.265 16.270 -24.798 1.00 0.00 C ATOM 572 C VAL A 38 -36.380 16.701 -23.342 1.00 0.00 C ATOM 573 O VAL A 38 -37.392 16.440 -22.695 1.00 0.00 O ATOM 574 CB VAL A 38 -37.300 17.063 -25.625 1.00 0.00 C ATOM 575 CG1 VAL A 38 -37.039 18.575 -25.528 1.00 0.00 C ATOM 576 CG2 VAL A 38 -37.264 16.703 -27.111 1.00 0.00 C ATOM 0 H VAL A 38 -37.494 14.567 -24.720 1.00 0.00 H new ATOM 0 HA VAL A 38 -35.296 16.472 -25.254 1.00 0.00 H new ATOM 0 HB VAL A 38 -38.271 16.799 -25.206 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -37.781 19.111 -26.119 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -37.108 18.890 -24.487 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -36.042 18.797 -25.909 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -38.011 17.289 -27.646 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -36.275 16.921 -27.514 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -37.480 15.642 -27.234 1.00 0.00 H new ATOM 586 N VAL A 39 -35.311 17.302 -22.822 1.00 0.00 N ATOM 587 CA VAL A 39 -35.055 17.580 -21.399 1.00 0.00 C ATOM 588 C VAL A 39 -34.268 18.883 -21.284 1.00 0.00 C ATOM 589 O VAL A 39 -33.395 19.125 -22.116 1.00 0.00 O ATOM 590 CB VAL A 39 -34.257 16.408 -20.776 1.00 0.00 C ATOM 591 CG1 VAL A 39 -32.916 16.140 -21.448 1.00 0.00 C ATOM 592 CG2 VAL A 39 -33.985 16.604 -19.285 1.00 0.00 C ATOM 0 H VAL A 39 -34.549 17.631 -23.416 1.00 0.00 H new ATOM 0 HA VAL A 39 -35.998 17.681 -20.861 1.00 0.00 H new ATOM 0 HB VAL A 39 -34.912 15.552 -20.936 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -32.421 15.305 -20.952 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -33.078 15.895 -22.498 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -32.289 17.028 -21.375 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -33.423 15.752 -18.903 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -33.407 17.516 -19.137 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -34.931 16.684 -18.750 1.00 0.00 H new ATOM 602 N ASP A 40 -34.542 19.708 -20.264 1.00 0.00 N ATOM 603 CA ASP A 40 -33.972 21.058 -20.047 1.00 0.00 C ATOM 604 C ASP A 40 -34.231 22.052 -21.211 1.00 0.00 C ATOM 605 O ASP A 40 -35.007 23.001 -21.075 1.00 0.00 O ATOM 606 CB ASP A 40 -32.477 20.912 -19.685 1.00 0.00 C ATOM 607 CG ASP A 40 -31.701 22.234 -19.757 1.00 0.00 C ATOM 608 OD1 ASP A 40 -31.997 23.159 -18.965 1.00 0.00 O ATOM 609 OD2 ASP A 40 -30.795 22.336 -20.619 1.00 0.00 O ATOM 0 H ASP A 40 -35.198 19.446 -19.529 1.00 0.00 H new ATOM 0 HA ASP A 40 -34.497 21.520 -19.211 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -32.393 20.504 -18.678 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -32.016 20.191 -20.360 1.00 0.00 H new ATOM 614 N GLY A 41 -33.629 21.789 -22.369 1.00 0.00 N ATOM 615 CA GLY A 41 -33.856 22.411 -23.681 1.00 0.00 C ATOM 616 C GLY A 41 -33.137 21.671 -24.826 1.00 0.00 C ATOM 617 O GLY A 41 -32.893 22.256 -25.885 1.00 0.00 O ATOM 0 H GLY A 41 -32.905 21.072 -22.423 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -34.926 22.435 -23.886 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -33.513 23.445 -23.652 1.00 0.00 H new ATOM 621 N GLN A 42 -32.731 20.414 -24.596 1.00 0.00 N ATOM 622 CA GLN A 42 -31.834 19.597 -25.416 1.00 0.00 C ATOM 623 C GLN A 42 -32.374 18.160 -25.597 1.00 0.00 C ATOM 624 O GLN A 42 -33.301 17.754 -24.897 1.00 0.00 O ATOM 625 CB GLN A 42 -30.397 19.666 -24.854 1.00 0.00 C ATOM 626 CG GLN A 42 -30.244 19.798 -23.323 1.00 0.00 C ATOM 627 CD GLN A 42 -28.816 20.160 -22.921 1.00 0.00 C ATOM 628 OE1 GLN A 42 -27.834 19.715 -23.501 1.00 0.00 O ATOM 629 NE2 GLN A 42 -28.633 21.012 -21.936 1.00 0.00 N ATOM 0 H GLN A 42 -33.047 19.907 -23.769 1.00 0.00 H new ATOM 0 HA GLN A 42 -31.795 20.006 -26.425 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -29.867 18.768 -25.170 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -29.893 20.514 -25.318 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -30.929 20.561 -22.954 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -30.528 18.859 -22.848 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -29.436 21.396 -21.438 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -27.688 21.289 -21.670 1.00 0.00 H new ATOM 638 N PHE A 43 -31.818 17.399 -26.547 1.00 0.00 N ATOM 639 CA PHE A 43 -32.431 16.179 -27.104 1.00 0.00 C ATOM 640 C PHE A 43 -31.424 15.022 -27.218 1.00 0.00 C ATOM 641 O PHE A 43 -30.320 15.204 -27.749 1.00 0.00 O ATOM 642 CB PHE A 43 -33.028 16.552 -28.472 1.00 0.00 C ATOM 643 CG PHE A 43 -33.846 15.493 -29.192 1.00 0.00 C ATOM 644 CD1 PHE A 43 -34.903 14.836 -28.533 1.00 0.00 C ATOM 645 CD2 PHE A 43 -33.625 15.241 -30.558 1.00 0.00 C ATOM 646 CE1 PHE A 43 -35.750 13.964 -29.238 1.00 0.00 C ATOM 647 CE2 PHE A 43 -34.462 14.357 -31.262 1.00 0.00 C ATOM 648 CZ PHE A 43 -35.531 13.722 -30.604 1.00 0.00 C ATOM 0 H PHE A 43 -30.911 17.615 -26.961 1.00 0.00 H new ATOM 0 HA PHE A 43 -33.211 15.816 -26.435 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -33.660 17.430 -28.335 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -32.209 16.848 -29.127 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -35.064 15.003 -27.478 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -32.808 15.729 -31.069 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -36.570 13.480 -28.729 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -34.284 14.165 -32.310 1.00 0.00 H new ATOM 0 HZ PHE A 43 -36.180 13.051 -31.147 1.00 0.00 H new ATOM 658 N PHE A 44 -31.782 13.846 -26.684 1.00 0.00 N ATOM 659 CA PHE A 44 -30.905 12.664 -26.579 1.00 0.00 C ATOM 660 C PHE A 44 -31.619 11.380 -27.016 1.00 0.00 C ATOM 661 O PHE A 44 -32.714 11.120 -26.583 1.00 0.00 O ATOM 662 CB PHE A 44 -30.414 12.501 -25.130 1.00 0.00 C ATOM 663 CG PHE A 44 -29.864 13.769 -24.517 1.00 0.00 C ATOM 664 CD1 PHE A 44 -30.751 14.685 -23.920 1.00 0.00 C ATOM 665 CD2 PHE A 44 -28.495 14.077 -24.610 1.00 0.00 C ATOM 666 CE1 PHE A 44 -30.280 15.918 -23.454 1.00 0.00 C ATOM 667 CE2 PHE A 44 -28.021 15.309 -24.126 1.00 0.00 C ATOM 668 CZ PHE A 44 -28.917 16.231 -23.556 1.00 0.00 C ATOM 0 H PHE A 44 -32.714 13.683 -26.302 1.00 0.00 H new ATOM 0 HA PHE A 44 -30.059 12.827 -27.247 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -31.240 12.142 -24.516 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -29.641 11.733 -25.104 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -31.797 14.436 -23.821 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -27.810 13.369 -25.052 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -30.966 16.628 -23.016 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -26.970 15.547 -24.192 1.00 0.00 H new ATOM 0 HZ PHE A 44 -28.554 17.182 -23.196 1.00 0.00 H new ATOM 678 N GLU A 45 -30.910 10.543 -27.797 1.00 0.00 N ATOM 679 CA GLU A 45 -31.359 9.254 -28.336 1.00 0.00 C ATOM 680 C GLU A 45 -30.711 8.109 -27.553 1.00 0.00 C ATOM 681 O GLU A 45 -29.507 8.117 -27.289 1.00 0.00 O ATOM 682 CB GLU A 45 -30.942 9.093 -29.803 1.00 0.00 C ATOM 683 CG GLU A 45 -31.692 9.921 -30.847 1.00 0.00 C ATOM 684 CD GLU A 45 -31.858 11.401 -30.484 1.00 0.00 C ATOM 685 OE1 GLU A 45 -30.877 12.181 -30.585 1.00 0.00 O ATOM 686 OE2 GLU A 45 -32.993 11.770 -30.109 1.00 0.00 O ATOM 0 H GLU A 45 -29.956 10.764 -28.082 1.00 0.00 H new ATOM 0 HA GLU A 45 -32.445 9.226 -28.251 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.882 9.336 -29.880 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -31.048 8.041 -30.069 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -31.163 9.850 -31.797 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -32.679 9.484 -30.998 1.00 0.00 H new ATOM 693 N GLY A 46 -31.522 7.118 -27.193 1.00 0.00 N ATOM 694 CA GLY A 46 -31.109 5.933 -26.456 1.00 0.00 C ATOM 695 C GLY A 46 -31.645 4.654 -27.078 1.00 0.00 C ATOM 696 O GLY A 46 -32.851 4.407 -27.062 1.00 0.00 O ATOM 0 H GLY A 46 -32.518 7.120 -27.415 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -30.020 5.890 -26.422 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -31.458 6.008 -25.426 1.00 0.00 H new ATOM 700 N SER A 47 -30.754 3.826 -27.621 1.00 0.00 N ATOM 701 CA SER A 47 -31.117 2.637 -28.396 1.00 0.00 C ATOM 702 C SER A 47 -30.904 1.353 -27.600 1.00 0.00 C ATOM 703 O SER A 47 -29.800 1.054 -27.139 1.00 0.00 O ATOM 704 CB SER A 47 -30.345 2.611 -29.712 1.00 0.00 C ATOM 705 OG SER A 47 -28.951 2.789 -29.540 1.00 0.00 O ATOM 0 H SER A 47 -29.747 3.962 -27.535 1.00 0.00 H new ATOM 0 HA SER A 47 -32.182 2.693 -28.621 1.00 0.00 H new ATOM 0 HB2 SER A 47 -30.525 1.660 -30.214 1.00 0.00 H new ATOM 0 HB3 SER A 47 -30.728 3.394 -30.367 1.00 0.00 H new ATOM 0 HG SER A 47 -28.485 1.957 -29.766 1.00 0.00 H new ATOM 711 N GLY A 48 -32.009 0.646 -27.363 1.00 0.00 N ATOM 712 CA GLY A 48 -32.117 -0.448 -26.403 1.00 0.00 C ATOM 713 C GLY A 48 -32.855 -1.685 -26.899 1.00 0.00 C ATOM 714 O GLY A 48 -33.811 -1.597 -27.671 1.00 0.00 O ATOM 0 H GLY A 48 -32.885 0.828 -27.853 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -31.112 -0.743 -26.100 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -32.623 -0.077 -25.512 1.00 0.00 H new ATOM 718 N ARG A 49 -32.415 -2.853 -26.425 1.00 0.00 N ATOM 719 CA ARG A 49 -33.121 -4.137 -26.574 1.00 0.00 C ATOM 720 C ARG A 49 -34.628 -4.077 -26.250 1.00 0.00 C ATOM 721 O ARG A 49 -35.416 -4.720 -26.941 1.00 0.00 O ATOM 722 CB ARG A 49 -32.342 -5.201 -25.770 1.00 0.00 C ATOM 723 CG ARG A 49 -32.923 -6.622 -25.636 1.00 0.00 C ATOM 724 CD ARG A 49 -33.451 -7.320 -26.898 1.00 0.00 C ATOM 725 NE ARG A 49 -32.667 -7.029 -28.115 1.00 0.00 N ATOM 726 CZ ARG A 49 -33.128 -6.461 -29.215 1.00 0.00 C ATOM 727 NH1 ARG A 49 -34.327 -5.966 -29.307 1.00 0.00 N ATOM 728 NH2 ARG A 49 -32.375 -6.344 -30.261 1.00 0.00 N ATOM 0 H ARG A 49 -31.537 -2.939 -25.914 1.00 0.00 H new ATOM 0 HA ARG A 49 -33.130 -4.418 -27.627 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -31.354 -5.293 -26.220 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -32.198 -4.810 -24.763 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -32.149 -7.257 -25.205 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -33.739 -6.580 -24.915 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -33.457 -8.397 -26.730 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -34.485 -7.018 -27.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -31.681 -7.290 -28.105 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -34.958 -6.006 -28.507 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -34.636 -5.537 -30.179 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -31.416 -6.692 -30.241 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -32.740 -5.904 -31.106 1.00 0.00 H new ATOM 742 N ASN A 50 -35.020 -3.274 -25.258 1.00 0.00 N ATOM 743 CA ASN A 50 -36.388 -2.780 -25.009 1.00 0.00 C ATOM 744 C ASN A 50 -36.312 -1.483 -24.158 1.00 0.00 C ATOM 745 O ASN A 50 -35.211 -1.110 -23.756 1.00 0.00 O ATOM 746 CB ASN A 50 -37.217 -3.904 -24.341 1.00 0.00 C ATOM 747 CG ASN A 50 -38.727 -3.745 -24.477 1.00 0.00 C ATOM 748 OD1 ASN A 50 -39.257 -2.681 -24.762 1.00 0.00 O ATOM 749 ND2 ASN A 50 -39.477 -4.803 -24.284 1.00 0.00 N ATOM 0 H ASN A 50 -34.358 -2.928 -24.564 1.00 0.00 H new ATOM 0 HA ASN A 50 -36.894 -2.521 -25.939 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -36.925 -4.860 -24.775 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -36.963 -3.944 -23.282 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -40.491 -4.732 -24.372 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -39.047 -5.697 -24.046 1.00 0.00 H new ATOM 756 N LYS A 51 -37.423 -0.810 -23.822 1.00 0.00 N ATOM 757 CA LYS A 51 -37.504 0.398 -22.948 1.00 0.00 C ATOM 758 C LYS A 51 -36.707 0.313 -21.646 1.00 0.00 C ATOM 759 O LYS A 51 -36.065 1.298 -21.297 1.00 0.00 O ATOM 760 CB LYS A 51 -38.977 0.735 -22.665 1.00 0.00 C ATOM 761 CG LYS A 51 -39.586 1.453 -23.881 1.00 0.00 C ATOM 762 CD LYS A 51 -41.120 1.466 -23.861 1.00 0.00 C ATOM 763 CE LYS A 51 -41.629 2.126 -25.149 1.00 0.00 C ATOM 764 NZ LYS A 51 -43.107 2.037 -25.284 1.00 0.00 N ATOM 0 H LYS A 51 -38.341 -1.097 -24.163 1.00 0.00 H new ATOM 0 HA LYS A 51 -37.027 1.202 -23.509 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -39.535 -0.177 -22.452 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -39.052 1.368 -21.781 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -39.220 2.479 -23.912 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -39.244 0.965 -24.794 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -41.504 0.449 -23.781 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -41.481 2.012 -22.990 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -41.328 3.174 -25.161 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -41.159 1.649 -26.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -43.403 2.496 -26.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -43.395 1.038 -25.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -43.559 2.515 -24.478 1.00 0.00 H new ATOM 778 N LYS A 52 -36.630 -0.855 -20.998 1.00 0.00 N ATOM 779 CA LYS A 52 -35.742 -1.108 -19.836 1.00 0.00 C ATOM 780 C LYS A 52 -34.250 -0.806 -20.061 1.00 0.00 C ATOM 781 O LYS A 52 -33.499 -0.668 -19.096 1.00 0.00 O ATOM 782 CB LYS A 52 -35.961 -2.521 -19.276 1.00 0.00 C ATOM 783 CG LYS A 52 -35.870 -3.711 -20.245 1.00 0.00 C ATOM 784 CD LYS A 52 -34.606 -3.827 -21.115 1.00 0.00 C ATOM 785 CE LYS A 52 -34.499 -5.183 -21.830 1.00 0.00 C ATOM 786 NZ LYS A 52 -34.232 -6.303 -20.884 1.00 0.00 N ATOM 0 H LYS A 52 -37.186 -1.668 -21.262 1.00 0.00 H new ATOM 0 HA LYS A 52 -36.045 -0.375 -19.088 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -35.230 -2.681 -18.483 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -36.947 -2.545 -18.811 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -35.961 -4.627 -19.661 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -36.733 -3.669 -20.910 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -34.607 -3.029 -21.857 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -33.725 -3.680 -20.490 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -35.425 -5.380 -22.370 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -33.701 -5.138 -22.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -33.968 -7.154 -21.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -33.454 -6.040 -20.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -35.088 -6.497 -20.326 1.00 0.00 H new ATOM 800 N LEU A 53 -33.842 -0.674 -21.323 1.00 0.00 N ATOM 801 CA LEU A 53 -32.497 -0.338 -21.773 1.00 0.00 C ATOM 802 C LEU A 53 -32.518 0.919 -22.662 1.00 0.00 C ATOM 803 O LEU A 53 -31.695 1.800 -22.475 1.00 0.00 O ATOM 804 CB LEU A 53 -31.891 -1.577 -22.466 1.00 0.00 C ATOM 805 CG LEU A 53 -30.479 -1.391 -23.056 1.00 0.00 C ATOM 806 CD1 LEU A 53 -29.474 -0.828 -22.049 1.00 0.00 C ATOM 807 CD2 LEU A 53 -29.933 -2.737 -23.534 1.00 0.00 C ATOM 0 H LEU A 53 -34.484 -0.808 -22.104 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.857 -0.083 -20.928 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.858 -2.394 -21.745 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.562 -1.886 -23.268 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.589 -0.680 -23.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.500 -0.721 -22.527 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.816 0.147 -21.700 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.389 -1.508 -21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.935 -2.598 -23.950 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.883 -3.429 -22.693 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.592 -3.145 -24.301 1.00 0.00 H new ATOM 819 N ALA A 54 -33.463 1.060 -23.594 1.00 0.00 N ATOM 820 CA ALA A 54 -33.631 2.250 -24.437 1.00 0.00 C ATOM 821 C ALA A 54 -33.788 3.535 -23.607 1.00 0.00 C ATOM 822 O ALA A 54 -33.033 4.499 -23.772 1.00 0.00 O ATOM 823 CB ALA A 54 -34.807 2.012 -25.394 1.00 0.00 C ATOM 0 H ALA A 54 -34.151 0.333 -23.790 1.00 0.00 H new ATOM 0 HA ALA A 54 -32.727 2.406 -25.025 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -34.944 2.889 -26.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -34.598 1.143 -26.018 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -35.715 1.835 -24.818 1.00 0.00 H new ATOM 829 N LYS A 55 -34.736 3.515 -22.654 1.00 0.00 N ATOM 830 CA LYS A 55 -34.864 4.553 -21.628 1.00 0.00 C ATOM 831 C LYS A 55 -33.557 4.718 -20.864 1.00 0.00 C ATOM 832 O LYS A 55 -33.139 5.847 -20.704 1.00 0.00 O ATOM 833 CB LYS A 55 -36.037 4.281 -20.666 1.00 0.00 C ATOM 834 CG LYS A 55 -36.412 5.567 -19.926 1.00 0.00 C ATOM 835 CD LYS A 55 -37.910 5.888 -19.890 1.00 0.00 C ATOM 836 CE LYS A 55 -38.526 5.984 -21.288 1.00 0.00 C ATOM 837 NZ LYS A 55 -39.934 6.463 -21.230 1.00 0.00 N ATOM 0 H LYS A 55 -35.434 2.775 -22.577 1.00 0.00 H new ATOM 0 HA LYS A 55 -35.086 5.489 -22.141 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -36.896 3.908 -21.223 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -35.760 3.507 -19.950 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -36.047 5.497 -18.901 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -35.889 6.401 -20.394 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -38.429 5.117 -19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -38.063 6.830 -19.364 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -37.934 6.663 -21.902 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -38.492 5.007 -21.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -40.475 6.048 -22.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -40.361 6.176 -20.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -39.951 7.500 -21.308 1.00 0.00 H new ATOM 851 N ALA A 56 -32.905 3.645 -20.404 1.00 0.00 N ATOM 852 CA ALA A 56 -31.647 3.709 -19.659 1.00 0.00 C ATOM 853 C ALA A 56 -30.552 4.467 -20.416 1.00 0.00 C ATOM 854 O ALA A 56 -29.901 5.330 -19.847 1.00 0.00 O ATOM 855 CB ALA A 56 -31.195 2.297 -19.263 1.00 0.00 C ATOM 0 H ALA A 56 -33.244 2.693 -20.542 1.00 0.00 H new ATOM 0 HA ALA A 56 -31.830 4.281 -18.750 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -30.258 2.357 -18.709 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -31.957 1.833 -18.637 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -31.048 1.697 -20.161 1.00 0.00 H new ATOM 861 N ARG A 57 -30.357 4.151 -21.697 1.00 0.00 N ATOM 862 CA ARG A 57 -29.459 4.830 -22.644 1.00 0.00 C ATOM 863 C ARG A 57 -29.759 6.332 -22.746 1.00 0.00 C ATOM 864 O ARG A 57 -28.895 7.164 -22.452 1.00 0.00 O ATOM 865 CB ARG A 57 -29.550 4.099 -24.000 1.00 0.00 C ATOM 866 CG ARG A 57 -29.183 2.602 -23.935 1.00 0.00 C ATOM 867 CD ARG A 57 -27.760 2.297 -24.377 1.00 0.00 C ATOM 868 NE ARG A 57 -27.621 2.416 -25.842 1.00 0.00 N ATOM 869 CZ ARG A 57 -26.658 3.009 -26.523 1.00 0.00 C ATOM 870 NH1 ARG A 57 -25.622 3.551 -25.950 1.00 0.00 N ATOM 871 NH2 ARG A 57 -26.723 3.077 -27.818 1.00 0.00 N ATOM 0 H ARG A 57 -30.848 3.369 -22.131 1.00 0.00 H new ATOM 0 HA ARG A 57 -28.431 4.779 -22.286 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -30.565 4.197 -24.386 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -28.889 4.593 -24.712 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -29.319 2.249 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -29.876 2.040 -24.562 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -27.069 2.982 -23.886 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -27.487 1.290 -24.063 1.00 0.00 H new ATOM 0 HE ARG A 57 -28.361 1.987 -26.397 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.531 3.528 -24.934 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -24.902 3.999 -26.517 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -27.519 2.672 -28.311 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.978 3.536 -28.343 1.00 0.00 H new ATOM 885 N ALA A 58 -30.989 6.674 -23.148 1.00 0.00 N ATOM 886 CA ALA A 58 -31.472 8.058 -23.257 1.00 0.00 C ATOM 887 C ALA A 58 -31.317 8.830 -21.937 1.00 0.00 C ATOM 888 O ALA A 58 -30.737 9.915 -21.896 1.00 0.00 O ATOM 889 CB ALA A 58 -32.925 8.042 -23.744 1.00 0.00 C ATOM 0 H ALA A 58 -31.691 5.983 -23.412 1.00 0.00 H new ATOM 0 HA ALA A 58 -30.859 8.590 -23.984 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -33.292 9.065 -23.828 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -32.977 7.557 -24.719 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -33.541 7.493 -23.032 1.00 0.00 H new ATOM 895 N ALA A 59 -31.792 8.215 -20.852 1.00 0.00 N ATOM 896 CA ALA A 59 -31.646 8.660 -19.477 1.00 0.00 C ATOM 897 C ALA A 59 -30.192 8.924 -19.103 1.00 0.00 C ATOM 898 O ALA A 59 -29.898 10.037 -18.716 1.00 0.00 O ATOM 899 CB ALA A 59 -32.257 7.627 -18.523 1.00 0.00 C ATOM 0 H ALA A 59 -32.318 7.344 -20.921 1.00 0.00 H new ATOM 0 HA ALA A 59 -32.179 9.606 -19.384 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -32.143 7.969 -17.494 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -33.316 7.505 -18.749 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -31.747 6.672 -18.646 1.00 0.00 H new ATOM 905 N GLN A 60 -29.282 7.952 -19.198 1.00 0.00 N ATOM 906 CA GLN A 60 -27.866 8.116 -18.849 1.00 0.00 C ATOM 907 C GLN A 60 -27.223 9.282 -19.617 1.00 0.00 C ATOM 908 O GLN A 60 -26.543 10.112 -19.012 1.00 0.00 O ATOM 909 CB GLN A 60 -27.116 6.786 -19.058 1.00 0.00 C ATOM 910 CG GLN A 60 -25.888 6.612 -18.150 1.00 0.00 C ATOM 911 CD GLN A 60 -24.746 7.595 -18.415 1.00 0.00 C ATOM 912 OE1 GLN A 60 -24.331 7.826 -19.545 1.00 0.00 O ATOM 913 NE2 GLN A 60 -24.179 8.198 -17.391 1.00 0.00 N ATOM 0 H GLN A 60 -29.510 7.013 -19.525 1.00 0.00 H new ATOM 0 HA GLN A 60 -27.794 8.377 -17.793 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -27.805 5.960 -18.882 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -26.798 6.719 -20.099 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -26.204 6.716 -17.112 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -25.509 5.597 -18.267 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -24.512 8.017 -16.444 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -23.407 8.846 -17.545 1.00 0.00 H new ATOM 922 N SER A 61 -27.484 9.381 -20.925 1.00 0.00 N ATOM 923 CA SER A 61 -27.052 10.513 -21.766 1.00 0.00 C ATOM 924 C SER A 61 -27.527 11.871 -21.216 1.00 0.00 C ATOM 925 O SER A 61 -26.721 12.770 -20.936 1.00 0.00 O ATOM 926 CB SER A 61 -27.527 10.324 -23.216 1.00 0.00 C ATOM 927 OG SER A 61 -27.146 9.057 -23.732 1.00 0.00 O ATOM 0 H SER A 61 -28.007 8.672 -21.439 1.00 0.00 H new ATOM 0 HA SER A 61 -25.962 10.523 -21.747 1.00 0.00 H new ATOM 0 HB2 SER A 61 -28.612 10.424 -23.260 1.00 0.00 H new ATOM 0 HB3 SER A 61 -27.109 11.113 -23.842 1.00 0.00 H new ATOM 0 HG SER A 61 -27.747 8.367 -23.382 1.00 0.00 H new ATOM 933 N ALA A 62 -28.843 11.995 -21.012 1.00 0.00 N ATOM 934 CA ALA A 62 -29.482 13.147 -20.387 1.00 0.00 C ATOM 935 C ALA A 62 -28.898 13.457 -18.997 1.00 0.00 C ATOM 936 O ALA A 62 -28.392 14.552 -18.794 1.00 0.00 O ATOM 937 CB ALA A 62 -30.992 12.892 -20.336 1.00 0.00 C ATOM 0 H ALA A 62 -29.508 11.272 -21.287 1.00 0.00 H new ATOM 0 HA ALA A 62 -29.284 14.037 -20.985 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -31.489 13.743 -19.871 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -31.373 12.758 -21.348 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -31.190 11.993 -19.752 1.00 0.00 H new ATOM 943 N LEU A 63 -28.910 12.488 -18.076 1.00 0.00 N ATOM 944 CA LEU A 63 -28.360 12.526 -16.716 1.00 0.00 C ATOM 945 C LEU A 63 -26.949 13.089 -16.710 1.00 0.00 C ATOM 946 O LEU A 63 -26.712 14.090 -16.050 1.00 0.00 O ATOM 947 CB LEU A 63 -28.342 11.103 -16.108 1.00 0.00 C ATOM 948 CG LEU A 63 -29.562 10.646 -15.290 1.00 0.00 C ATOM 949 CD1 LEU A 63 -30.885 11.323 -15.620 1.00 0.00 C ATOM 950 CD2 LEU A 63 -29.741 9.131 -15.398 1.00 0.00 C ATOM 0 H LEU A 63 -29.339 11.585 -18.278 1.00 0.00 H new ATOM 0 HA LEU A 63 -28.999 13.175 -16.117 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -28.204 10.394 -16.924 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -27.464 11.026 -15.467 1.00 0.00 H new ATOM 0 HG LEU A 63 -29.322 10.955 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -31.670 10.919 -14.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -30.796 12.396 -15.452 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -31.138 11.139 -16.664 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -30.608 8.825 -14.813 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -29.891 8.856 -16.442 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -28.851 8.631 -15.016 1.00 0.00 H new ATOM 962 N ALA A 64 -26.026 12.491 -17.466 1.00 0.00 N ATOM 963 CA ALA A 64 -24.661 12.985 -17.573 1.00 0.00 C ATOM 964 C ALA A 64 -24.648 14.464 -17.992 1.00 0.00 C ATOM 965 O ALA A 64 -24.055 15.290 -17.296 1.00 0.00 O ATOM 966 CB ALA A 64 -23.889 12.085 -18.544 1.00 0.00 C ATOM 0 H ALA A 64 -26.208 11.653 -18.018 1.00 0.00 H new ATOM 0 HA ALA A 64 -24.165 12.944 -16.603 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -22.863 12.443 -18.635 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -23.884 11.062 -18.167 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.369 12.109 -19.522 1.00 0.00 H new ATOM 972 N THR A 65 -25.336 14.811 -19.083 1.00 0.00 N ATOM 973 CA THR A 65 -25.486 16.202 -19.552 1.00 0.00 C ATOM 974 C THR A 65 -26.072 17.173 -18.505 1.00 0.00 C ATOM 975 O THR A 65 -25.378 18.064 -17.989 1.00 0.00 O ATOM 976 CB THR A 65 -26.281 16.244 -20.869 1.00 0.00 C ATOM 977 OG1 THR A 65 -25.721 15.345 -21.806 1.00 0.00 O ATOM 978 CG2 THR A 65 -26.241 17.637 -21.495 1.00 0.00 C ATOM 0 H THR A 65 -25.812 14.131 -19.676 1.00 0.00 H new ATOM 0 HA THR A 65 -24.474 16.566 -19.731 1.00 0.00 H new ATOM 0 HB THR A 65 -27.309 15.971 -20.632 1.00 0.00 H new ATOM 0 HG1 THR A 65 -26.042 14.438 -21.621 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.811 17.635 -22.424 1.00 0.00 H new ATOM 0 HG22 THR A 65 -26.676 18.359 -20.804 1.00 0.00 H new ATOM 0 HG23 THR A 65 -25.207 17.912 -21.705 1.00 0.00 H new ATOM 986 N VAL A 66 -27.369 17.041 -18.196 1.00 0.00 N ATOM 987 CA VAL A 66 -28.034 17.900 -17.214 1.00 0.00 C ATOM 988 C VAL A 66 -27.337 17.890 -15.862 1.00 0.00 C ATOM 989 O VAL A 66 -27.019 18.956 -15.364 1.00 0.00 O ATOM 990 CB VAL A 66 -29.567 17.750 -17.104 1.00 0.00 C ATOM 991 CG1 VAL A 66 -30.232 18.229 -18.400 1.00 0.00 C ATOM 992 CG2 VAL A 66 -30.123 16.359 -16.781 1.00 0.00 C ATOM 0 H VAL A 66 -27.980 16.341 -18.617 1.00 0.00 H new ATOM 0 HA VAL A 66 -27.918 18.899 -17.633 1.00 0.00 H new ATOM 0 HB VAL A 66 -29.808 18.363 -16.236 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -31.313 18.120 -18.316 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -29.985 19.277 -18.570 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -29.871 17.631 -19.237 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -31.211 16.404 -16.735 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -29.821 15.657 -17.558 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -29.733 16.025 -15.820 1.00 0.00 H new ATOM 1002 N PHE A 67 -27.040 16.749 -15.244 1.00 0.00 N ATOM 1003 CA PHE A 67 -26.270 16.745 -13.996 1.00 0.00 C ATOM 1004 C PHE A 67 -24.906 17.455 -14.077 1.00 0.00 C ATOM 1005 O PHE A 67 -24.473 18.061 -13.096 1.00 0.00 O ATOM 1006 CB PHE A 67 -26.198 15.366 -13.344 1.00 0.00 C ATOM 1007 CG PHE A 67 -27.524 14.648 -13.087 1.00 0.00 C ATOM 1008 CD1 PHE A 67 -28.777 15.296 -13.204 1.00 0.00 C ATOM 1009 CD2 PHE A 67 -27.499 13.291 -12.712 1.00 0.00 C ATOM 1010 CE1 PHE A 67 -29.972 14.581 -13.022 1.00 0.00 C ATOM 1011 CE2 PHE A 67 -28.698 12.592 -12.475 1.00 0.00 C ATOM 1012 CZ PHE A 67 -29.940 13.226 -12.655 1.00 0.00 C ATOM 0 H PHE A 67 -27.315 15.826 -15.579 1.00 0.00 H new ATOM 0 HA PHE A 67 -26.851 17.370 -13.318 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -25.583 14.725 -13.975 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -25.678 15.469 -12.391 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -28.814 16.350 -13.435 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -26.552 12.782 -12.605 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -30.921 15.076 -13.165 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -28.663 11.562 -12.153 1.00 0.00 H new ATOM 0 HZ PHE A 67 -30.859 12.677 -12.513 1.00 0.00 H new ATOM 1022 N ASN A 68 -24.200 17.410 -15.218 1.00 0.00 N ATOM 1023 CA ASN A 68 -23.104 18.353 -15.472 1.00 0.00 C ATOM 1024 C ASN A 68 -23.465 19.845 -15.381 1.00 0.00 C ATOM 1025 O ASN A 68 -22.672 20.631 -14.853 1.00 0.00 O ATOM 1026 CB ASN A 68 -22.317 18.011 -16.751 1.00 0.00 C ATOM 1027 CG ASN A 68 -21.160 17.065 -16.472 1.00 0.00 C ATOM 1028 OD1 ASN A 68 -20.047 17.474 -16.166 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -21.382 15.776 -16.558 1.00 0.00 N ATOM 0 H ASN A 68 -24.366 16.740 -15.969 1.00 0.00 H new ATOM 0 HA ASN A 68 -22.437 18.203 -14.623 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -22.989 17.557 -17.480 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -21.935 18.929 -17.198 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -20.628 15.115 -16.370 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -22.309 15.434 -16.813 1.00 0.00 H new ATOM 1036 N LEU A 69 -24.653 20.244 -15.844 1.00 0.00 N ATOM 1037 CA LEU A 69 -25.236 21.554 -15.473 1.00 0.00 C ATOM 1038 C LEU A 69 -25.400 21.753 -13.963 1.00 0.00 C ATOM 1039 O LEU A 69 -25.047 22.822 -13.454 1.00 0.00 O ATOM 1040 CB LEU A 69 -26.565 21.838 -16.205 1.00 0.00 C ATOM 1041 CG LEU A 69 -26.599 21.456 -17.692 1.00 0.00 C ATOM 1042 CD1 LEU A 69 -27.996 21.732 -18.250 1.00 0.00 C ATOM 1043 CD2 LEU A 69 -25.584 22.245 -18.520 1.00 0.00 C ATOM 0 H LEU A 69 -25.233 19.689 -16.473 1.00 0.00 H new ATOM 0 HA LEU A 69 -24.500 22.285 -15.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -27.363 21.301 -15.692 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -26.788 22.901 -16.116 1.00 0.00 H new ATOM 0 HG LEU A 69 -26.344 20.398 -17.761 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -28.026 21.463 -19.306 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -28.730 21.140 -17.703 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -28.229 22.791 -18.139 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -25.648 21.938 -19.564 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -25.800 23.310 -18.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -24.579 22.050 -18.146 1.00 0.00 H new