USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 180:sc= 0.537 USER MOD Set 1.2: A 79 THR OG1 : rot -72:sc= 0.601 USER MOD Single : A 40 ASN : amide:sc= -2.43! C(o=-2.4!,f=-3.3!) USER MOD Single : A 43 TYR OH : rot 165:sc=-0.000531 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -136:sc= -5.6! (180deg=-9.46!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.163 USER MOD Single : A 59 SER OG : rot 62:sc= 1.03 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 148:sc= -0.735 (180deg=-4.69!) USER MOD Single : A 74 ASN : amide:sc= -0.392 X(o=-0.39,f=0) USER MOD Single : A 75 CYS SG : rot 180:sc= -3.15 USER MOD Single : A 80 TYR OH : rot -14:sc= -5.08! USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 0.655 (180deg=-0.173) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.815 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 94 ASN : amide:sc= -1.22 K(o=-1.2,f=-5.7!) USER MOD Single : A 96 THR OG1 : rot -96:sc= 0.649 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 100 SER OG : rot 180:sc= -1.3! USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.899 5.073 2.569 1.00 0.00 N ATOM 79 CA ASN A 40 -38.422 5.009 2.380 1.00 0.00 C ATOM 80 C ASN A 40 -38.107 4.762 0.903 1.00 0.00 C ATOM 81 O ASN A 40 -37.895 3.642 0.482 1.00 0.00 O ATOM 82 CB ASN A 40 -37.850 3.867 3.222 1.00 0.00 C ATOM 83 CG ASN A 40 -36.336 4.039 3.353 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.816 5.120 3.158 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.600 3.012 3.680 1.00 0.00 N ATOM 0 HA ASN A 40 -37.974 5.952 2.694 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -38.313 3.861 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -38.079 2.908 2.757 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.590 3.117 3.772 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -36.035 2.104 3.844 1.00 0.00 H new ATOM 92 N THR A 41 -38.072 5.800 0.112 1.00 0.00 N ATOM 93 CA THR A 41 -37.769 5.624 -1.336 1.00 0.00 C ATOM 94 C THR A 41 -36.424 6.278 -1.658 1.00 0.00 C ATOM 95 O THR A 41 -36.142 7.381 -1.234 1.00 0.00 O ATOM 96 CB THR A 41 -38.871 6.281 -2.170 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.092 5.583 -1.974 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.488 6.238 -3.650 1.00 0.00 C ATOM 0 H THR A 41 -38.240 6.762 0.406 1.00 0.00 H new ATOM 0 HA THR A 41 -37.721 4.561 -1.572 1.00 0.00 H new ATOM 0 HB THR A 41 -38.992 7.319 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.799 6.004 -2.507 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.274 6.706 -4.243 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.552 6.776 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.365 5.201 -3.964 1.00 0.00 H new ATOM 106 N LEU A 42 -35.590 5.607 -2.406 1.00 0.00 N ATOM 107 CA LEU A 42 -34.266 6.192 -2.754 1.00 0.00 C ATOM 108 C LEU A 42 -34.328 6.800 -4.157 1.00 0.00 C ATOM 109 O LEU A 42 -35.053 6.334 -5.014 1.00 0.00 O ATOM 110 CB LEU A 42 -33.199 5.095 -2.724 1.00 0.00 C ATOM 111 CG LEU A 42 -33.303 4.316 -1.411 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.315 3.147 -1.432 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.969 5.243 -0.241 1.00 0.00 C ATOM 0 H LEU A 42 -35.769 4.679 -2.790 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.013 6.968 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.332 4.421 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.207 5.536 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.317 3.934 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.389 2.592 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.551 2.486 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.301 3.530 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.043 4.689 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.955 5.625 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -33.671 6.077 -0.225 1.00 0.00 H new ATOM 125 N TYR A 43 -33.575 7.838 -4.398 1.00 0.00 N ATOM 126 CA TYR A 43 -33.590 8.473 -5.745 1.00 0.00 C ATOM 127 C TYR A 43 -32.446 7.905 -6.588 1.00 0.00 C ATOM 128 O TYR A 43 -31.288 8.027 -6.241 1.00 0.00 O ATOM 129 CB TYR A 43 -33.413 9.986 -5.598 1.00 0.00 C ATOM 130 CG TYR A 43 -33.445 10.633 -6.961 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.669 11.007 -7.529 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.252 10.859 -7.659 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.700 11.606 -8.794 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.283 11.459 -8.922 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.506 11.832 -9.491 1.00 0.00 C ATOM 136 OH TYR A 43 -33.536 12.423 -10.737 1.00 0.00 O ATOM 0 H TYR A 43 -32.950 8.274 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.541 8.265 -6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.205 10.396 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.468 10.205 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.589 10.833 -6.991 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.308 10.570 -7.222 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.644 11.894 -9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.362 11.635 -9.459 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.635 12.725 -10.978 1.00 0.00 H new ATOM 146 N VAL A 44 -32.760 7.281 -7.691 1.00 0.00 N ATOM 147 CA VAL A 44 -31.688 6.704 -8.550 1.00 0.00 C ATOM 148 C VAL A 44 -31.606 7.484 -9.863 1.00 0.00 C ATOM 149 O VAL A 44 -32.608 7.813 -10.466 1.00 0.00 O ATOM 150 CB VAL A 44 -32.008 5.238 -8.847 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.865 4.619 -9.654 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.173 4.475 -7.531 1.00 0.00 C ATOM 0 H VAL A 44 -33.711 7.146 -8.034 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.732 6.771 -8.030 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.933 5.178 -9.421 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.093 3.574 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.746 5.162 -10.592 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.940 4.679 -9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.401 3.430 -7.742 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.248 4.536 -6.957 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.987 4.915 -6.955 1.00 0.00 H new ATOM 162 N TYR A 45 -30.417 7.780 -10.314 1.00 0.00 N ATOM 163 CA TYR A 45 -30.267 8.536 -11.589 1.00 0.00 C ATOM 164 C TYR A 45 -29.314 7.779 -12.515 1.00 0.00 C ATOM 165 O TYR A 45 -28.430 7.076 -12.070 1.00 0.00 O ATOM 166 CB TYR A 45 -29.698 9.925 -11.295 1.00 0.00 C ATOM 167 CG TYR A 45 -29.739 10.764 -12.550 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.928 11.399 -12.928 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.589 10.906 -13.335 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.965 12.179 -14.091 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.627 11.684 -14.499 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.816 12.320 -14.877 1.00 0.00 C ATOM 173 OH TYR A 45 -29.853 13.088 -16.023 1.00 0.00 O ATOM 0 H TYR A 45 -29.542 7.530 -9.853 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.240 8.639 -12.070 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.275 10.406 -10.505 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.673 9.841 -10.935 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.816 11.288 -12.323 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.672 10.416 -13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.881 12.672 -14.381 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.740 11.793 -15.105 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.971 13.081 -16.450 1.00 0.00 H new ATOM 183 N GLY A 46 -29.485 7.916 -13.802 1.00 0.00 N ATOM 184 CA GLY A 46 -28.585 7.201 -14.751 1.00 0.00 C ATOM 185 C GLY A 46 -29.253 7.114 -16.124 1.00 0.00 C ATOM 186 O GLY A 46 -30.426 7.393 -16.275 1.00 0.00 O ATOM 0 H GLY A 46 -30.207 8.491 -14.236 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.633 7.726 -14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.367 6.201 -14.377 1.00 0.00 H new ATOM 190 N GLU A 47 -28.514 6.729 -17.128 1.00 0.00 N ATOM 191 CA GLU A 47 -29.103 6.624 -18.492 1.00 0.00 C ATOM 192 C GLU A 47 -29.373 5.153 -18.820 1.00 0.00 C ATOM 193 O GLU A 47 -28.954 4.263 -18.107 1.00 0.00 O ATOM 194 CB GLU A 47 -28.122 7.207 -19.513 1.00 0.00 C ATOM 195 CG GLU A 47 -26.953 6.240 -19.714 1.00 0.00 C ATOM 196 CD GLU A 47 -25.909 6.884 -20.628 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.172 7.968 -21.124 1.00 0.00 O ATOM 198 OE2 GLU A 47 -24.865 6.283 -20.818 1.00 0.00 O ATOM 0 H GLU A 47 -27.526 6.482 -17.062 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.040 7.179 -18.530 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -28.630 7.381 -20.462 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.753 8.172 -19.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.505 5.990 -18.752 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.310 5.308 -20.152 1.00 0.00 H new ATOM 205 N ASP A 48 -30.070 4.892 -19.892 1.00 0.00 N ATOM 206 CA ASP A 48 -30.367 3.479 -20.264 1.00 0.00 C ATOM 207 C ASP A 48 -30.777 2.699 -19.013 1.00 0.00 C ATOM 208 O ASP A 48 -30.096 1.787 -18.588 1.00 0.00 O ATOM 209 CB ASP A 48 -29.118 2.840 -20.877 1.00 0.00 C ATOM 210 CG ASP A 48 -28.698 3.629 -22.119 1.00 0.00 C ATOM 211 OD1 ASP A 48 -29.535 4.332 -22.661 1.00 0.00 O ATOM 212 OD2 ASP A 48 -27.547 3.516 -22.507 1.00 0.00 O ATOM 0 H ASP A 48 -30.447 5.596 -20.527 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.180 3.457 -20.990 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.307 2.829 -20.149 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.321 1.803 -21.143 1.00 0.00 H new ATOM 217 N MET A 49 -31.885 3.050 -18.420 1.00 0.00 N ATOM 218 CA MET A 49 -32.337 2.330 -17.197 1.00 0.00 C ATOM 219 C MET A 49 -33.266 1.180 -17.593 1.00 0.00 C ATOM 220 O MET A 49 -34.161 1.341 -18.400 1.00 0.00 O ATOM 221 CB MET A 49 -33.088 3.300 -16.282 1.00 0.00 C ATOM 222 CG MET A 49 -32.085 4.205 -15.564 1.00 0.00 C ATOM 223 SD MET A 49 -32.933 5.122 -14.255 1.00 0.00 S ATOM 224 CE MET A 49 -31.525 6.134 -13.738 1.00 0.00 C ATOM 0 H MET A 49 -32.497 3.805 -18.730 1.00 0.00 H new ATOM 0 HA MET A 49 -31.470 1.931 -16.671 1.00 0.00 H new ATOM 0 HB2 MET A 49 -33.784 3.902 -16.866 1.00 0.00 H new ATOM 0 HB3 MET A 49 -33.680 2.745 -15.554 1.00 0.00 H new ATOM 0 HG2 MET A 49 -31.278 3.608 -15.140 1.00 0.00 H new ATOM 0 HG3 MET A 49 -31.631 4.897 -16.273 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.477 6.161 -12.649 1.00 0.00 H new ATOM 0 HE2 MET A 49 -30.604 5.704 -14.131 1.00 0.00 H new ATOM 0 HE3 MET A 49 -31.645 7.147 -14.121 1.00 0.00 H new ATOM 234 N THR A 50 -33.063 0.021 -17.029 1.00 0.00 N ATOM 235 CA THR A 50 -33.935 -1.138 -17.370 1.00 0.00 C ATOM 236 C THR A 50 -34.592 -1.671 -16.095 1.00 0.00 C ATOM 237 O THR A 50 -34.077 -1.506 -15.007 1.00 0.00 O ATOM 238 CB THR A 50 -33.090 -2.242 -18.010 1.00 0.00 C ATOM 239 OG1 THR A 50 -31.748 -1.793 -18.139 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.652 -2.582 -19.391 1.00 0.00 C ATOM 0 H THR A 50 -32.330 -0.173 -16.346 1.00 0.00 H new ATOM 0 HA THR A 50 -34.706 -0.820 -18.072 1.00 0.00 H new ATOM 0 HB THR A 50 -33.117 -3.132 -17.381 1.00 0.00 H new ATOM 0 HG1 THR A 50 -31.205 -2.499 -18.547 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.049 -3.368 -19.846 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.681 -2.926 -19.290 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.626 -1.694 -20.023 1.00 0.00 H new ATOM 248 N PRO A 51 -35.755 -2.324 -16.237 1.00 0.00 N ATOM 249 CA PRO A 51 -36.492 -2.884 -15.098 1.00 0.00 C ATOM 250 C PRO A 51 -35.779 -4.102 -14.500 1.00 0.00 C ATOM 251 O PRO A 51 -35.471 -4.135 -13.325 1.00 0.00 O ATOM 252 CB PRO A 51 -37.829 -3.304 -15.708 1.00 0.00 C ATOM 253 CG PRO A 51 -37.533 -3.530 -17.152 1.00 0.00 C ATOM 254 CD PRO A 51 -36.440 -2.565 -17.519 1.00 0.00 C ATOM 0 HA PRO A 51 -36.588 -2.168 -14.281 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.213 -4.209 -15.236 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.585 -2.530 -15.575 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.218 -4.559 -17.327 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.421 -3.361 -17.761 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -35.764 -2.987 -18.263 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -36.842 -1.643 -17.940 1.00 0.00 H new ATOM 262 N THR A 52 -35.514 -5.101 -15.297 1.00 0.00 N ATOM 263 CA THR A 52 -34.820 -6.308 -14.768 1.00 0.00 C ATOM 264 C THR A 52 -33.444 -5.906 -14.233 1.00 0.00 C ATOM 265 O THR A 52 -32.944 -6.476 -13.283 1.00 0.00 O ATOM 266 CB THR A 52 -34.652 -7.337 -15.890 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.474 -6.971 -16.990 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.062 -8.720 -15.382 1.00 0.00 C ATOM 0 H THR A 52 -35.748 -5.133 -16.289 1.00 0.00 H new ATOM 0 HA THR A 52 -35.412 -6.745 -13.964 1.00 0.00 H new ATOM 0 HB THR A 52 -33.609 -7.364 -16.207 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.367 -7.627 -17.710 1.00 0.00 H new ATOM 0 HG21 THR A 52 -34.942 -9.451 -16.181 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.432 -8.999 -14.537 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.105 -8.697 -15.065 1.00 0.00 H new ATOM 276 N LEU A 53 -32.832 -4.923 -14.832 1.00 0.00 N ATOM 277 CA LEU A 53 -31.493 -4.479 -14.358 1.00 0.00 C ATOM 278 C LEU A 53 -31.635 -3.817 -12.986 1.00 0.00 C ATOM 279 O LEU A 53 -30.928 -4.139 -12.053 1.00 0.00 O ATOM 280 CB LEU A 53 -30.906 -3.474 -15.352 1.00 0.00 C ATOM 281 CG LEU A 53 -29.470 -3.133 -14.947 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.567 -4.341 -15.206 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.978 -1.942 -15.769 1.00 0.00 C ATOM 0 H LEU A 53 -33.202 -4.408 -15.630 1.00 0.00 H new ATOM 0 HA LEU A 53 -30.830 -5.340 -14.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -30.922 -3.891 -16.359 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.514 -2.569 -15.372 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.441 -2.879 -13.887 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.544 -4.099 -14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -28.918 -5.190 -14.619 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.595 -4.596 -16.265 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.955 -1.699 -15.481 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.006 -2.195 -16.829 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.621 -1.082 -15.584 1.00 0.00 H new ATOM 295 N LEU A 54 -32.550 -2.895 -12.856 1.00 0.00 N ATOM 296 CA LEU A 54 -32.742 -2.215 -11.545 1.00 0.00 C ATOM 297 C LEU A 54 -33.087 -3.257 -10.480 1.00 0.00 C ATOM 298 O LEU A 54 -32.478 -3.311 -9.431 1.00 0.00 O ATOM 299 CB LEU A 54 -33.883 -1.202 -11.656 1.00 0.00 C ATOM 300 CG LEU A 54 -33.385 0.048 -12.384 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.438 0.502 -13.397 1.00 0.00 C ATOM 302 CD2 LEU A 54 -33.138 1.165 -11.368 1.00 0.00 C ATOM 0 H LEU A 54 -33.173 -2.584 -13.602 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.825 -1.697 -11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.722 -1.641 -12.196 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -34.247 -0.937 -10.663 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.455 -0.181 -12.905 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.084 1.393 -13.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.614 -0.294 -14.121 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.368 0.731 -12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.783 2.056 -11.886 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -34.067 1.394 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -32.387 0.841 -10.647 1.00 0.00 H new ATOM 314 N ARG A 55 -34.059 -4.086 -10.743 1.00 0.00 N ATOM 315 CA ARG A 55 -34.440 -5.125 -9.745 1.00 0.00 C ATOM 316 C ARG A 55 -33.192 -5.895 -9.313 1.00 0.00 C ATOM 317 O ARG A 55 -33.051 -6.274 -8.169 1.00 0.00 O ATOM 318 CB ARG A 55 -35.445 -6.093 -10.374 1.00 0.00 C ATOM 319 CG ARG A 55 -36.735 -5.343 -10.708 1.00 0.00 C ATOM 320 CD ARG A 55 -37.783 -6.333 -11.219 1.00 0.00 C ATOM 321 NE ARG A 55 -38.242 -7.195 -10.094 1.00 0.00 N ATOM 322 CZ ARG A 55 -38.366 -8.482 -10.267 1.00 0.00 C ATOM 323 NH1 ARG A 55 -39.089 -8.942 -11.252 1.00 0.00 N ATOM 324 NH2 ARG A 55 -37.768 -9.310 -9.455 1.00 0.00 N ATOM 0 H ARG A 55 -34.605 -4.089 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.892 -4.647 -8.876 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.024 -6.535 -11.277 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.656 -6.913 -9.687 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.108 -4.827 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.540 -4.581 -11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -38.629 -5.795 -11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.361 -6.948 -12.014 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.459 -6.779 -9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.557 -8.295 -11.887 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -39.186 -9.948 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -37.204 -8.951 -8.685 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -37.865 -10.316 -9.590 1.00 0.00 H new ATOM 338 N GLY A 56 -32.284 -6.127 -10.221 1.00 0.00 N ATOM 339 CA GLY A 56 -31.045 -6.872 -9.860 1.00 0.00 C ATOM 340 C GLY A 56 -30.123 -5.961 -9.047 1.00 0.00 C ATOM 341 O GLY A 56 -29.382 -6.411 -8.195 1.00 0.00 O ATOM 0 H GLY A 56 -32.346 -5.833 -11.196 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.297 -7.761 -9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.536 -7.212 -10.762 1.00 0.00 H new ATOM 345 N ALA A 57 -30.164 -4.684 -9.304 1.00 0.00 N ATOM 346 CA ALA A 57 -29.290 -3.742 -8.548 1.00 0.00 C ATOM 347 C ALA A 57 -29.916 -3.443 -7.183 1.00 0.00 C ATOM 348 O ALA A 57 -29.308 -2.821 -6.336 1.00 0.00 O ATOM 349 CB ALA A 57 -29.140 -2.440 -9.336 1.00 0.00 C ATOM 0 H ALA A 57 -30.765 -4.251 -10.005 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.309 -4.196 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.501 -1.752 -8.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.691 -2.652 -10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.121 -1.987 -9.481 1.00 0.00 H new ATOM 355 N PHE A 58 -31.128 -3.877 -6.966 1.00 0.00 N ATOM 356 CA PHE A 58 -31.790 -3.613 -5.655 1.00 0.00 C ATOM 357 C PHE A 58 -32.439 -4.898 -5.131 1.00 0.00 C ATOM 358 O PHE A 58 -33.029 -4.918 -4.069 1.00 0.00 O ATOM 359 CB PHE A 58 -32.866 -2.542 -5.840 1.00 0.00 C ATOM 360 CG PHE A 58 -32.210 -1.216 -6.148 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.671 -0.979 -7.418 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.143 -0.223 -5.163 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.064 0.251 -7.703 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.536 1.007 -5.448 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.996 1.243 -6.719 1.00 0.00 C ATOM 0 H PHE A 58 -31.688 -4.402 -7.638 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.045 -3.269 -4.938 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.539 -2.824 -6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.471 -2.459 -4.937 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.723 -1.744 -8.178 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.559 -0.405 -4.183 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.648 0.433 -8.683 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.484 1.773 -4.688 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.527 2.191 -6.939 1.00 0.00 H new ATOM 375 N SER A 59 -32.340 -5.971 -5.868 1.00 0.00 N ATOM 376 CA SER A 59 -32.953 -7.251 -5.414 1.00 0.00 C ATOM 377 C SER A 59 -32.181 -7.801 -4.211 1.00 0.00 C ATOM 378 O SER A 59 -32.746 -8.044 -3.163 1.00 0.00 O ATOM 379 CB SER A 59 -32.906 -8.270 -6.555 1.00 0.00 C ATOM 380 OG SER A 59 -34.148 -8.269 -7.242 1.00 0.00 O ATOM 0 H SER A 59 -31.860 -6.016 -6.767 1.00 0.00 H new ATOM 0 HA SER A 59 -33.988 -7.070 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.097 -8.024 -7.243 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.697 -9.264 -6.160 1.00 0.00 H new ATOM 0 HG SER A 59 -34.304 -7.384 -7.634 1.00 0.00 H new ATOM 386 N PRO A 60 -30.863 -8.007 -4.370 1.00 0.00 N ATOM 387 CA PRO A 60 -30.010 -8.537 -3.297 1.00 0.00 C ATOM 388 C PRO A 60 -29.860 -7.548 -2.137 1.00 0.00 C ATOM 389 O PRO A 60 -29.550 -7.924 -1.025 1.00 0.00 O ATOM 390 CB PRO A 60 -28.660 -8.747 -3.984 1.00 0.00 C ATOM 391 CG PRO A 60 -28.674 -7.796 -5.131 1.00 0.00 C ATOM 392 CD PRO A 60 -30.098 -7.738 -5.601 1.00 0.00 C ATOM 0 HA PRO A 60 -30.427 -9.443 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.833 -8.539 -3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.543 -9.776 -4.323 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.323 -6.810 -4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.013 -8.136 -5.928 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.344 -6.764 -6.025 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.299 -8.481 -6.372 1.00 0.00 H new ATOM 400 N PHE A 61 -30.078 -6.287 -2.387 1.00 0.00 N ATOM 401 CA PHE A 61 -29.946 -5.280 -1.297 1.00 0.00 C ATOM 402 C PHE A 61 -31.133 -5.402 -0.340 1.00 0.00 C ATOM 403 O PHE A 61 -31.166 -4.781 0.705 1.00 0.00 O ATOM 404 CB PHE A 61 -29.919 -3.875 -1.901 1.00 0.00 C ATOM 405 CG PHE A 61 -28.544 -3.597 -2.460 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.478 -3.325 -1.595 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.337 -3.612 -3.843 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.204 -3.068 -2.115 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.063 -3.356 -4.364 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.996 -3.084 -3.499 1.00 0.00 C ATOM 0 H PHE A 61 -30.342 -5.910 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.020 -5.458 -0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.668 -3.791 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.171 -3.135 -1.141 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.638 -3.313 -0.527 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.161 -3.821 -4.510 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.381 -2.857 -1.448 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.903 -3.368 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.013 -2.887 -3.900 1.00 0.00 H new ATOM 420 N GLY A 62 -32.107 -6.199 -0.682 1.00 0.00 N ATOM 421 CA GLY A 62 -33.288 -6.359 0.214 1.00 0.00 C ATOM 422 C GLY A 62 -34.568 -6.407 -0.625 1.00 0.00 C ATOM 423 O GLY A 62 -34.543 -6.214 -1.824 1.00 0.00 O ATOM 0 H GLY A 62 -32.137 -6.746 -1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.191 -7.273 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.336 -5.531 0.921 1.00 0.00 H new ATOM 427 N ASN A 63 -35.687 -6.662 -0.002 1.00 0.00 N ATOM 428 CA ASN A 63 -36.968 -6.723 -0.761 1.00 0.00 C ATOM 429 C ASN A 63 -37.484 -5.305 -1.007 1.00 0.00 C ATOM 430 O ASN A 63 -37.420 -4.452 -0.144 1.00 0.00 O ATOM 431 CB ASN A 63 -38.002 -7.509 0.047 1.00 0.00 C ATOM 432 CG ASN A 63 -37.496 -8.934 0.278 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.837 -9.502 -0.570 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.777 -9.538 1.400 1.00 0.00 N ATOM 0 H ASN A 63 -35.769 -6.831 1.001 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.800 -7.219 -1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.182 -7.017 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.953 -7.532 -0.485 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.443 -10.488 1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.330 -9.061 2.112 1.00 0.00 H new ATOM 441 N ILE A 64 -37.997 -5.044 -2.178 1.00 0.00 N ATOM 442 CA ILE A 64 -38.517 -3.680 -2.476 1.00 0.00 C ATOM 443 C ILE A 64 -40.045 -3.686 -2.394 1.00 0.00 C ATOM 444 O ILE A 64 -40.707 -4.480 -3.032 1.00 0.00 O ATOM 445 CB ILE A 64 -38.086 -3.265 -3.884 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.559 -3.242 -3.965 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.634 -1.871 -4.194 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.127 -3.160 -5.431 1.00 0.00 C ATOM 0 H ILE A 64 -38.078 -5.716 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.116 -2.973 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.477 -3.979 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.168 -2.389 -3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.146 -4.139 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.327 -1.574 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.722 -1.887 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.243 -1.157 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.039 -3.144 -5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.506 -4.027 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.528 -2.250 -5.878 1.00 0.00 H new ATOM 460 N ILE A 65 -40.610 -2.806 -1.613 1.00 0.00 N ATOM 461 CA ILE A 65 -42.094 -2.762 -1.493 1.00 0.00 C ATOM 462 C ILE A 65 -42.697 -2.315 -2.824 1.00 0.00 C ATOM 463 O ILE A 65 -43.631 -2.906 -3.327 1.00 0.00 O ATOM 464 CB ILE A 65 -42.491 -1.773 -0.395 1.00 0.00 C ATOM 465 CG1 ILE A 65 -44.016 -1.675 -0.324 1.00 0.00 C ATOM 466 CG2 ILE A 65 -41.907 -0.394 -0.714 1.00 0.00 C ATOM 467 CD1 ILE A 65 -44.429 -1.136 1.049 1.00 0.00 C ATOM 0 H ILE A 65 -40.108 -2.116 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.467 -3.754 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 65 -42.103 -2.120 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -44.386 -1.018 -1.111 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -44.462 -2.655 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.190 0.311 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -40.820 -0.462 -0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -42.295 -0.047 -1.672 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -45.516 -1.066 1.101 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.072 -1.810 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -43.994 -0.148 1.198 1.00 0.00 H new ATOM 479 N ASP A 66 -42.166 -1.274 -3.398 1.00 0.00 N ATOM 480 CA ASP A 66 -42.703 -0.782 -4.697 1.00 0.00 C ATOM 481 C ASP A 66 -41.556 -0.227 -5.545 1.00 0.00 C ATOM 482 O ASP A 66 -40.643 0.395 -5.039 1.00 0.00 O ATOM 483 CB ASP A 66 -43.729 0.324 -4.439 1.00 0.00 C ATOM 484 CG ASP A 66 -44.418 0.697 -5.754 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.153 0.039 -6.747 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.198 1.634 -5.745 1.00 0.00 O ATOM 0 H ASP A 66 -41.381 -0.741 -3.023 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.182 -1.605 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.468 -0.013 -3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.238 1.199 -4.013 1.00 0.00 H new ATOM 491 N LEU A 67 -41.595 -0.447 -6.830 1.00 0.00 N ATOM 492 CA LEU A 67 -40.507 0.068 -7.707 1.00 0.00 C ATOM 493 C LEU A 67 -41.106 0.993 -8.769 1.00 0.00 C ATOM 494 O LEU A 67 -42.031 0.633 -9.468 1.00 0.00 O ATOM 495 CB LEU A 67 -39.803 -1.106 -8.389 1.00 0.00 C ATOM 496 CG LEU A 67 -38.623 -0.587 -9.214 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.384 -1.437 -8.926 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.965 -0.673 -10.704 1.00 0.00 C ATOM 0 H LEU A 67 -42.333 -0.961 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.786 0.623 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.452 -1.817 -7.641 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.503 -1.639 -9.032 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.422 0.450 -8.946 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.544 -1.067 -9.514 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.139 -1.376 -7.866 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.584 -2.475 -9.193 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.125 -0.303 -11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.167 -1.710 -10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.847 -0.067 -10.910 1.00 0.00 H new ATOM 510 N SER A 68 -40.587 2.185 -8.893 1.00 0.00 N ATOM 511 CA SER A 68 -41.131 3.131 -9.907 1.00 0.00 C ATOM 512 C SER A 68 -40.012 3.564 -10.857 1.00 0.00 C ATOM 513 O SER A 68 -38.860 3.646 -10.480 1.00 0.00 O ATOM 514 CB SER A 68 -41.705 4.361 -9.201 1.00 0.00 C ATOM 515 OG SER A 68 -42.713 3.955 -8.286 1.00 0.00 O ATOM 0 H SER A 68 -39.811 2.543 -8.336 1.00 0.00 H new ATOM 0 HA SER A 68 -41.919 2.638 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.913 4.893 -8.674 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.121 5.053 -9.933 1.00 0.00 H new ATOM 0 HG SER A 68 -43.080 4.743 -7.832 1.00 0.00 H new ATOM 521 N MET A 69 -40.344 3.844 -12.089 1.00 0.00 N ATOM 522 CA MET A 69 -39.301 4.273 -13.064 1.00 0.00 C ATOM 523 C MET A 69 -39.747 5.565 -13.752 1.00 0.00 C ATOM 524 O MET A 69 -40.914 5.758 -14.034 1.00 0.00 O ATOM 525 CB MET A 69 -39.104 3.179 -14.114 1.00 0.00 C ATOM 526 CG MET A 69 -38.571 1.913 -13.440 1.00 0.00 C ATOM 527 SD MET A 69 -38.107 0.705 -14.706 1.00 0.00 S ATOM 528 CE MET A 69 -36.709 1.624 -15.396 1.00 0.00 C ATOM 0 H MET A 69 -41.292 3.794 -12.462 1.00 0.00 H new ATOM 0 HA MET A 69 -38.362 4.446 -12.539 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.049 2.967 -14.615 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.406 3.517 -14.880 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.708 2.154 -12.819 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.330 1.492 -12.781 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.954 0.924 -15.752 1.00 0.00 H new ATOM 0 HE2 MET A 69 -37.053 2.240 -16.226 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.277 2.262 -14.625 1.00 0.00 H new ATOM 538 N ASP A 70 -38.829 6.452 -14.026 1.00 0.00 N ATOM 539 CA ASP A 70 -39.204 7.730 -14.697 1.00 0.00 C ATOM 540 C ASP A 70 -38.391 7.888 -15.984 1.00 0.00 C ATOM 541 O ASP A 70 -37.274 8.366 -15.967 1.00 0.00 O ATOM 542 CB ASP A 70 -38.910 8.903 -13.760 1.00 0.00 C ATOM 543 CG ASP A 70 -40.218 9.608 -13.398 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.977 9.046 -12.625 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.439 10.698 -13.899 1.00 0.00 O ATOM 0 H ASP A 70 -37.837 6.347 -13.815 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.267 7.716 -14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.415 8.545 -12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.228 9.604 -14.241 1.00 0.00 H new ATOM 550 N PRO A 71 -38.968 7.473 -17.122 1.00 0.00 N ATOM 551 CA PRO A 71 -38.301 7.564 -18.421 1.00 0.00 C ATOM 552 C PRO A 71 -38.249 8.995 -18.994 1.00 0.00 C ATOM 553 O PRO A 71 -37.349 9.316 -19.744 1.00 0.00 O ATOM 554 CB PRO A 71 -39.140 6.658 -19.321 1.00 0.00 C ATOM 555 CG PRO A 71 -40.494 6.620 -18.696 1.00 0.00 C ATOM 556 CD PRO A 71 -40.314 6.878 -17.221 1.00 0.00 C ATOM 0 HA PRO A 71 -37.254 7.270 -18.343 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.188 7.049 -20.337 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.709 5.659 -19.384 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.144 7.373 -19.141 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.967 5.652 -18.862 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.078 7.555 -16.838 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.386 5.956 -16.643 1.00 0.00 H new ATOM 564 N PRO A 72 -39.214 9.879 -18.654 1.00 0.00 N ATOM 565 CA PRO A 72 -39.214 11.251 -19.173 1.00 0.00 C ATOM 566 C PRO A 72 -38.169 12.127 -18.475 1.00 0.00 C ATOM 567 O PRO A 72 -37.712 13.114 -19.016 1.00 0.00 O ATOM 568 CB PRO A 72 -40.614 11.764 -18.850 1.00 0.00 C ATOM 569 CG PRO A 72 -41.059 10.959 -17.676 1.00 0.00 C ATOM 570 CD PRO A 72 -40.362 9.628 -17.759 1.00 0.00 C ATOM 0 HA PRO A 72 -38.969 11.279 -20.235 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.600 12.829 -18.616 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.288 11.633 -19.697 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.809 11.467 -16.744 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -42.141 10.828 -17.687 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.035 9.287 -16.777 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.020 8.858 -18.161 1.00 0.00 H new ATOM 578 N ARG A 73 -37.791 11.775 -17.277 1.00 0.00 N ATOM 579 CA ARG A 73 -36.782 12.591 -16.546 1.00 0.00 C ATOM 580 C ARG A 73 -35.479 11.800 -16.404 1.00 0.00 C ATOM 581 O ARG A 73 -34.516 12.270 -15.834 1.00 0.00 O ATOM 582 CB ARG A 73 -37.321 12.943 -15.158 1.00 0.00 C ATOM 583 CG ARG A 73 -38.572 13.811 -15.303 1.00 0.00 C ATOM 584 CD ARG A 73 -39.030 14.282 -13.921 1.00 0.00 C ATOM 585 NE ARG A 73 -40.355 14.953 -14.041 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.865 15.575 -13.014 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.085 16.211 -12.182 1.00 0.00 N ATOM 588 NH2 ARG A 73 -42.156 15.562 -12.817 1.00 0.00 N ATOM 0 H ARG A 73 -38.137 10.958 -16.773 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.586 13.506 -17.104 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.558 12.033 -14.607 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.561 13.474 -14.585 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -38.360 14.670 -15.940 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.367 13.244 -15.787 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -39.100 13.434 -13.240 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -38.298 14.970 -13.498 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.863 14.926 -14.925 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -39.077 16.222 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -40.484 16.697 -11.379 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -42.766 15.065 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.554 16.048 -12.014 1.00 0.00 H new ATOM 602 N ASN A 74 -35.440 10.601 -16.921 1.00 0.00 N ATOM 603 CA ASN A 74 -34.197 9.787 -16.815 1.00 0.00 C ATOM 604 C ASN A 74 -33.898 9.497 -15.343 1.00 0.00 C ATOM 605 O ASN A 74 -32.767 9.559 -14.905 1.00 0.00 O ATOM 606 CB ASN A 74 -33.027 10.559 -17.429 1.00 0.00 C ATOM 607 CG ASN A 74 -33.353 10.908 -18.882 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.085 12.005 -19.331 1.00 0.00 O ATOM 609 ND2 ASN A 74 -33.924 10.014 -19.643 1.00 0.00 N ATOM 0 H ASN A 74 -36.214 10.152 -17.411 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.334 8.847 -17.350 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.838 11.469 -16.859 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.118 9.960 -17.383 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -34.145 10.237 -20.614 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -34.149 9.093 -19.267 1.00 0.00 H new ATOM 616 N CYS A 75 -34.904 9.180 -14.574 1.00 0.00 N ATOM 617 CA CYS A 75 -34.675 8.888 -13.130 1.00 0.00 C ATOM 618 C CYS A 75 -35.632 7.785 -12.675 1.00 0.00 C ATOM 619 O CYS A 75 -36.603 7.480 -13.339 1.00 0.00 O ATOM 620 CB CYS A 75 -34.925 10.153 -12.308 1.00 0.00 C ATOM 621 SG CYS A 75 -36.685 10.574 -12.371 1.00 0.00 S ATOM 0 H CYS A 75 -35.874 9.111 -14.883 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.646 8.559 -12.984 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.614 9.996 -11.275 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.328 10.977 -12.699 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.900 11.648 -11.671 1.00 0.00 H new ATOM 627 N ALA A 76 -35.366 7.182 -11.549 1.00 0.00 N ATOM 628 CA ALA A 76 -36.263 6.099 -11.054 1.00 0.00 C ATOM 629 C ALA A 76 -36.353 6.166 -9.528 1.00 0.00 C ATOM 630 O ALA A 76 -35.491 6.715 -8.869 1.00 0.00 O ATOM 631 CB ALA A 76 -35.698 4.740 -11.473 1.00 0.00 C ATOM 0 H ALA A 76 -34.567 7.392 -10.951 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.258 6.228 -11.481 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.353 3.947 -11.112 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.635 4.692 -12.560 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.703 4.612 -11.046 1.00 0.00 H new ATOM 637 N PHE A 77 -37.388 5.611 -8.961 1.00 0.00 N ATOM 638 CA PHE A 77 -37.533 5.642 -7.478 1.00 0.00 C ATOM 639 C PHE A 77 -37.525 4.211 -6.937 1.00 0.00 C ATOM 640 O PHE A 77 -38.179 3.333 -7.466 1.00 0.00 O ATOM 641 CB PHE A 77 -38.855 6.319 -7.108 1.00 0.00 C ATOM 642 CG PHE A 77 -38.837 7.752 -7.581 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.228 8.740 -6.797 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.429 8.092 -8.802 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.212 10.069 -7.237 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.412 9.422 -9.242 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.804 10.410 -8.459 1.00 0.00 C ATOM 0 H PHE A 77 -38.140 5.137 -9.461 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.705 6.201 -7.043 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.689 5.785 -7.563 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.005 6.283 -6.029 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.771 8.477 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.899 7.329 -9.405 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.743 10.832 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.868 9.685 -10.185 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.792 11.436 -8.798 1.00 0.00 H new ATOM 657 N VAL A 78 -36.787 3.965 -5.889 1.00 0.00 N ATOM 658 CA VAL A 78 -36.738 2.591 -5.320 1.00 0.00 C ATOM 659 C VAL A 78 -37.194 2.623 -3.859 1.00 0.00 C ATOM 660 O VAL A 78 -36.727 3.420 -3.071 1.00 0.00 O ATOM 661 CB VAL A 78 -35.303 2.064 -5.393 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.284 0.584 -5.005 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.772 2.225 -6.818 1.00 0.00 C ATOM 0 H VAL A 78 -36.216 4.657 -5.403 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.398 1.938 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.673 2.628 -4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.262 0.207 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.662 0.469 -3.989 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.914 0.020 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.750 1.850 -6.870 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.401 1.661 -7.507 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.786 3.279 -7.095 1.00 0.00 H new ATOM 673 N THR A 79 -38.102 1.761 -3.493 1.00 0.00 N ATOM 674 CA THR A 79 -38.585 1.739 -2.083 1.00 0.00 C ATOM 675 C THR A 79 -38.123 0.446 -1.409 1.00 0.00 C ATOM 676 O THR A 79 -38.196 -0.624 -1.982 1.00 0.00 O ATOM 677 CB THR A 79 -40.115 1.808 -2.066 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.551 2.834 -2.947 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.597 2.110 -0.646 1.00 0.00 C ATOM 0 H THR A 79 -38.531 1.071 -4.109 1.00 0.00 H new ATOM 0 HA THR A 79 -38.179 2.595 -1.544 1.00 0.00 H new ATOM 0 HB THR A 79 -40.527 0.852 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.349 3.709 -2.555 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.686 2.159 -0.634 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.262 1.321 0.027 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.187 3.065 -0.318 1.00 0.00 H new ATOM 687 N TYR A 80 -37.648 0.533 -0.198 1.00 0.00 N ATOM 688 CA TYR A 80 -37.180 -0.693 0.508 1.00 0.00 C ATOM 689 C TYR A 80 -38.031 -0.920 1.760 1.00 0.00 C ATOM 690 O TYR A 80 -38.166 -0.049 2.596 1.00 0.00 O ATOM 691 CB TYR A 80 -35.716 -0.520 0.915 1.00 0.00 C ATOM 692 CG TYR A 80 -34.823 -1.084 -0.164 1.00 0.00 C ATOM 693 CD1 TYR A 80 -34.951 -2.424 -0.551 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.866 -0.267 -0.778 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.122 -2.946 -1.550 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.037 -0.789 -1.777 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.164 -2.128 -2.164 1.00 0.00 C ATOM 698 OH TYR A 80 -32.347 -2.644 -3.149 1.00 0.00 O ATOM 0 H TYR A 80 -37.563 1.399 0.334 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.275 -1.551 -0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.493 0.536 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.528 -1.029 1.860 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.690 -3.054 -0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.768 0.767 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.220 -3.979 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.299 -0.158 -2.250 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.404 -3.622 -3.142 1.00 0.00 H new ATOM 708 N GLU A 81 -38.603 -2.084 1.897 1.00 0.00 N ATOM 709 CA GLU A 81 -39.441 -2.365 3.097 1.00 0.00 C ATOM 710 C GLU A 81 -38.599 -2.160 4.358 1.00 0.00 C ATOM 711 O GLU A 81 -39.112 -1.847 5.414 1.00 0.00 O ATOM 712 CB GLU A 81 -39.938 -3.811 3.045 1.00 0.00 C ATOM 713 CG GLU A 81 -40.944 -3.965 1.903 1.00 0.00 C ATOM 714 CD GLU A 81 -41.535 -5.376 1.930 1.00 0.00 C ATOM 715 OE1 GLU A 81 -41.090 -6.168 2.744 1.00 0.00 O ATOM 716 OE2 GLU A 81 -42.422 -5.641 1.135 1.00 0.00 O ATOM 0 H GLU A 81 -38.527 -2.852 1.231 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.296 -1.689 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -39.098 -4.490 2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -40.404 -4.081 3.993 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.738 -3.225 2.001 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -40.455 -3.782 0.946 1.00 0.00 H new ATOM 723 N LYS A 82 -37.310 -2.336 4.255 1.00 0.00 N ATOM 724 CA LYS A 82 -36.434 -2.151 5.446 1.00 0.00 C ATOM 725 C LYS A 82 -35.569 -0.904 5.252 1.00 0.00 C ATOM 726 O LYS A 82 -35.087 -0.633 4.170 1.00 0.00 O ATOM 727 CB LYS A 82 -35.533 -3.377 5.607 1.00 0.00 C ATOM 728 CG LYS A 82 -34.933 -3.389 7.014 1.00 0.00 C ATOM 729 CD LYS A 82 -33.957 -4.562 7.139 1.00 0.00 C ATOM 730 CE LYS A 82 -33.312 -4.543 8.526 1.00 0.00 C ATOM 731 NZ LYS A 82 -32.464 -5.758 8.695 1.00 0.00 N ATOM 0 H LYS A 82 -36.826 -2.600 3.397 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.049 -2.031 6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -36.107 -4.288 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.738 -3.358 4.861 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -34.417 -2.449 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -35.724 -3.479 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.482 -5.504 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -33.189 -4.494 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -32.707 -3.644 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -34.082 -4.513 9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -32.812 -6.315 9.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -32.508 -6.335 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -31.479 -5.473 8.871 1.00 0.00 H new ATOM 745 N MET A 83 -35.367 -0.141 6.292 1.00 0.00 N ATOM 746 CA MET A 83 -34.534 1.087 6.164 1.00 0.00 C ATOM 747 C MET A 83 -33.079 0.692 5.906 1.00 0.00 C ATOM 748 O MET A 83 -32.342 1.398 5.247 1.00 0.00 O ATOM 749 CB MET A 83 -34.622 1.898 7.458 1.00 0.00 C ATOM 750 CG MET A 83 -36.069 2.344 7.683 1.00 0.00 C ATOM 751 SD MET A 83 -36.154 3.400 9.149 1.00 0.00 S ATOM 752 CE MET A 83 -37.957 3.539 9.223 1.00 0.00 C ATOM 0 H MET A 83 -35.743 -0.316 7.224 1.00 0.00 H new ATOM 0 HA MET A 83 -34.899 1.689 5.332 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.280 1.297 8.301 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.967 2.767 7.400 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.434 2.885 6.810 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.713 1.474 7.811 1.00 0.00 H new ATOM 0 HE1 MET A 83 -38.239 4.162 10.072 1.00 0.00 H new ATOM 0 HE2 MET A 83 -38.325 3.992 8.302 1.00 0.00 H new ATOM 0 HE3 MET A 83 -38.394 2.547 9.339 1.00 0.00 H new ATOM 762 N GLU A 84 -32.658 -0.431 6.421 1.00 0.00 N ATOM 763 CA GLU A 84 -31.250 -0.867 6.204 1.00 0.00 C ATOM 764 C GLU A 84 -31.070 -1.313 4.751 1.00 0.00 C ATOM 765 O GLU A 84 -29.987 -1.259 4.205 1.00 0.00 O ATOM 766 CB GLU A 84 -30.927 -2.036 7.138 1.00 0.00 C ATOM 767 CG GLU A 84 -30.986 -1.561 8.591 1.00 0.00 C ATOM 768 CD GLU A 84 -30.573 -2.706 9.518 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.447 -3.819 9.033 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.389 -2.451 10.697 1.00 0.00 O ATOM 0 H GLU A 84 -33.228 -1.064 6.982 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.578 -0.035 6.415 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.637 -2.848 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -29.936 -2.431 6.914 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.324 -0.707 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -31.994 -1.227 8.835 1.00 0.00 H new ATOM 777 N SER A 85 -32.126 -1.752 4.121 1.00 0.00 N ATOM 778 CA SER A 85 -32.014 -2.201 2.704 1.00 0.00 C ATOM 779 C SER A 85 -31.729 -0.995 1.807 1.00 0.00 C ATOM 780 O SER A 85 -31.056 -1.103 0.801 1.00 0.00 O ATOM 781 CB SER A 85 -33.326 -2.860 2.274 1.00 0.00 C ATOM 782 OG SER A 85 -33.549 -4.025 3.054 1.00 0.00 O ATOM 0 H SER A 85 -33.060 -1.819 4.526 1.00 0.00 H new ATOM 0 HA SER A 85 -31.200 -2.920 2.613 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.154 -2.162 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.285 -3.120 1.216 1.00 0.00 H new ATOM 0 HG SER A 85 -34.390 -4.446 2.780 1.00 0.00 H new ATOM 788 N ALA A 86 -32.234 0.153 2.165 1.00 0.00 N ATOM 789 CA ALA A 86 -31.992 1.365 1.333 1.00 0.00 C ATOM 790 C ALA A 86 -30.579 1.888 1.595 1.00 0.00 C ATOM 791 O ALA A 86 -29.817 2.133 0.681 1.00 0.00 O ATOM 792 CB ALA A 86 -33.011 2.447 1.699 1.00 0.00 C ATOM 0 H ALA A 86 -32.804 0.304 2.997 1.00 0.00 H new ATOM 0 HA ALA A 86 -32.096 1.109 0.279 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.834 3.334 1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -34.019 2.075 1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.907 2.704 2.753 1.00 0.00 H new ATOM 798 N ASP A 87 -30.222 2.059 2.838 1.00 0.00 N ATOM 799 CA ASP A 87 -28.859 2.566 3.160 1.00 0.00 C ATOM 800 C ASP A 87 -27.811 1.595 2.614 1.00 0.00 C ATOM 801 O ASP A 87 -26.749 1.991 2.178 1.00 0.00 O ATOM 802 CB ASP A 87 -28.703 2.681 4.676 1.00 0.00 C ATOM 803 CG ASP A 87 -27.392 3.399 5.003 1.00 0.00 C ATOM 804 OD1 ASP A 87 -27.386 4.619 4.984 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.416 2.717 5.267 1.00 0.00 O ATOM 0 H ASP A 87 -30.816 1.869 3.645 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.720 3.546 2.704 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.545 3.230 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.709 1.690 5.129 1.00 0.00 H new ATOM 810 N GLN A 88 -28.104 0.324 2.636 1.00 0.00 N ATOM 811 CA GLN A 88 -27.126 -0.673 2.120 1.00 0.00 C ATOM 812 C GLN A 88 -26.977 -0.510 0.607 1.00 0.00 C ATOM 813 O GLN A 88 -25.885 -0.517 0.075 1.00 0.00 O ATOM 814 CB GLN A 88 -27.623 -2.086 2.434 1.00 0.00 C ATOM 815 CG GLN A 88 -26.502 -3.092 2.169 1.00 0.00 C ATOM 816 CD GLN A 88 -26.995 -4.504 2.495 1.00 0.00 C ATOM 817 OE1 GLN A 88 -28.055 -4.672 3.066 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.267 -5.531 2.155 1.00 0.00 N ATOM 0 H GLN A 88 -28.978 -0.066 2.989 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.160 -0.512 2.598 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.943 -2.148 3.474 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.491 -2.323 1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.188 -3.037 1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.631 -2.850 2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.378 -5.390 1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.587 -6.476 2.368 1.00 0.00 H new ATOM 827 N ALA A 89 -28.067 -0.358 -0.088 1.00 0.00 N ATOM 828 CA ALA A 89 -27.992 -0.191 -1.568 1.00 0.00 C ATOM 829 C ALA A 89 -27.283 1.125 -1.893 1.00 0.00 C ATOM 830 O ALA A 89 -26.419 1.182 -2.744 1.00 0.00 O ATOM 831 CB ALA A 89 -29.405 -0.170 -2.154 1.00 0.00 C ATOM 0 H ALA A 89 -29.009 -0.342 0.303 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.435 -1.022 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.349 -0.048 -3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.910 -1.107 -1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.965 0.660 -1.724 1.00 0.00 H new ATOM 837 N VAL A 90 -27.640 2.183 -1.219 1.00 0.00 N ATOM 838 CA VAL A 90 -26.985 3.494 -1.488 1.00 0.00 C ATOM 839 C VAL A 90 -25.512 3.414 -1.084 1.00 0.00 C ATOM 840 O VAL A 90 -24.684 4.162 -1.565 1.00 0.00 O ATOM 841 CB VAL A 90 -27.679 4.588 -0.673 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.035 5.941 -0.984 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.164 4.634 -1.039 1.00 0.00 C ATOM 0 H VAL A 90 -28.357 2.197 -0.494 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.061 3.730 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.574 4.371 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.529 6.721 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.977 5.909 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.140 6.158 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.658 5.413 -0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.270 4.851 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.623 3.671 -0.818 1.00 0.00 H new ATOM 853 N ALA A 91 -25.179 2.512 -0.202 1.00 0.00 N ATOM 854 CA ALA A 91 -23.760 2.381 0.234 1.00 0.00 C ATOM 855 C ALA A 91 -22.974 1.587 -0.813 1.00 0.00 C ATOM 856 O ALA A 91 -21.781 1.757 -0.966 1.00 0.00 O ATOM 857 CB ALA A 91 -23.704 1.649 1.576 1.00 0.00 C ATOM 0 H ALA A 91 -25.829 1.859 0.236 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.321 3.373 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.666 1.553 1.895 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.262 2.214 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.144 0.657 1.468 1.00 0.00 H new ATOM 863 N GLU A 92 -23.633 0.723 -1.535 1.00 0.00 N ATOM 864 CA GLU A 92 -22.921 -0.079 -2.570 1.00 0.00 C ATOM 865 C GLU A 92 -23.324 0.409 -3.963 1.00 0.00 C ATOM 866 O GLU A 92 -22.488 0.693 -4.798 1.00 0.00 O ATOM 867 CB GLU A 92 -23.298 -1.554 -2.421 1.00 0.00 C ATOM 868 CG GLU A 92 -22.791 -2.079 -1.076 1.00 0.00 C ATOM 869 CD GLU A 92 -23.082 -3.578 -0.971 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.712 -4.103 -1.875 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.672 -4.174 0.011 1.00 0.00 O ATOM 0 H GLU A 92 -24.633 0.538 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.845 0.038 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.380 -1.672 -2.485 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.866 -2.135 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.720 -1.898 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.276 -1.545 -0.259 1.00 0.00 H new ATOM 878 N LEU A 93 -24.600 0.509 -4.222 1.00 0.00 N ATOM 879 CA LEU A 93 -25.055 0.978 -5.561 1.00 0.00 C ATOM 880 C LEU A 93 -24.464 2.360 -5.843 1.00 0.00 C ATOM 881 O LEU A 93 -24.192 2.712 -6.974 1.00 0.00 O ATOM 882 CB LEU A 93 -26.581 1.063 -5.581 1.00 0.00 C ATOM 883 CG LEU A 93 -27.173 -0.338 -5.423 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.686 -0.282 -5.651 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.537 -1.280 -6.447 1.00 0.00 C ATOM 0 H LEU A 93 -25.346 0.286 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.721 0.276 -6.325 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.930 1.710 -4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.919 1.508 -6.517 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.971 -0.706 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.108 -1.281 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.139 0.388 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.889 0.086 -6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.959 -2.279 -6.334 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.738 -0.913 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.460 -1.321 -6.284 1.00 0.00 H new ATOM 897 N ASN A 94 -24.263 3.148 -4.822 1.00 0.00 N ATOM 898 CA ASN A 94 -23.690 4.507 -5.031 1.00 0.00 C ATOM 899 C ASN A 94 -22.218 4.384 -5.426 1.00 0.00 C ATOM 900 O ASN A 94 -21.426 3.784 -4.727 1.00 0.00 O ATOM 901 CB ASN A 94 -23.806 5.314 -3.737 1.00 0.00 C ATOM 902 CG ASN A 94 -23.457 6.777 -4.013 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.073 7.125 -5.113 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.576 7.656 -3.056 1.00 0.00 N ATOM 0 H ASN A 94 -24.471 2.909 -3.852 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.238 5.014 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.818 5.240 -3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.136 4.906 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.347 8.634 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.898 7.365 -2.133 1.00 0.00 H new ATOM 911 N GLY A 95 -21.843 4.950 -6.541 1.00 0.00 N ATOM 912 CA GLY A 95 -20.422 4.865 -6.979 1.00 0.00 C ATOM 913 C GLY A 95 -20.192 3.540 -7.709 1.00 0.00 C ATOM 914 O GLY A 95 -19.225 2.845 -7.465 1.00 0.00 O ATOM 0 H GLY A 95 -22.460 5.467 -7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.182 5.701 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.759 4.937 -6.117 1.00 0.00 H new ATOM 918 N THR A 96 -21.071 3.186 -8.606 1.00 0.00 N ATOM 919 CA THR A 96 -20.900 1.908 -9.350 1.00 0.00 C ATOM 920 C THR A 96 -20.950 2.185 -10.854 1.00 0.00 C ATOM 921 O THR A 96 -21.487 3.183 -11.293 1.00 0.00 O ATOM 922 CB THR A 96 -22.024 0.939 -8.972 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.266 1.457 -9.429 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.067 0.773 -7.453 1.00 0.00 C ATOM 0 H THR A 96 -21.899 3.727 -8.855 1.00 0.00 H new ATOM 0 HA THR A 96 -19.938 1.464 -9.092 1.00 0.00 H new ATOM 0 HB THR A 96 -21.841 -0.030 -9.436 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.709 1.937 -8.698 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.867 0.083 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.114 0.377 -7.103 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.251 1.741 -6.986 1.00 0.00 H new ATOM 932 N GLN A 97 -20.391 1.312 -11.646 1.00 0.00 N ATOM 933 CA GLN A 97 -20.405 1.528 -13.120 1.00 0.00 C ATOM 934 C GLN A 97 -20.896 0.259 -13.817 1.00 0.00 C ATOM 935 O GLN A 97 -20.911 -0.812 -13.241 1.00 0.00 O ATOM 936 CB GLN A 97 -18.990 1.858 -13.600 1.00 0.00 C ATOM 937 CG GLN A 97 -19.027 2.238 -15.081 1.00 0.00 C ATOM 938 CD GLN A 97 -17.637 2.699 -15.522 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.752 2.866 -14.707 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.406 2.916 -16.789 1.00 0.00 N ATOM 0 H GLN A 97 -19.925 0.459 -11.336 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.073 2.355 -13.359 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.578 2.679 -13.013 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.335 1.000 -13.450 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.346 1.384 -15.679 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.755 3.032 -15.246 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.149 2.776 -17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.483 3.225 -17.093 1.00 0.00 H new ATOM 949 N VAL A 98 -21.300 0.369 -15.051 1.00 0.00 N ATOM 950 CA VAL A 98 -21.790 -0.833 -15.786 1.00 0.00 C ATOM 951 C VAL A 98 -20.969 -1.007 -17.062 1.00 0.00 C ATOM 952 O VAL A 98 -19.935 -0.392 -17.234 1.00 0.00 O ATOM 953 CB VAL A 98 -23.271 -0.662 -16.160 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.040 -1.925 -15.769 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.870 0.544 -15.429 1.00 0.00 C ATOM 0 H VAL A 98 -21.313 1.239 -15.584 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.684 -1.709 -15.147 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.348 -0.497 -17.235 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.091 -1.807 -16.033 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.626 -2.782 -16.300 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -23.952 -2.087 -14.695 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.919 0.652 -15.704 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.791 0.393 -14.352 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.327 1.446 -15.710 1.00 0.00 H new ATOM 965 N GLU A 99 -21.422 -1.833 -17.964 1.00 0.00 N ATOM 966 CA GLU A 99 -20.664 -2.032 -19.230 1.00 0.00 C ATOM 967 C GLU A 99 -20.348 -0.666 -19.842 1.00 0.00 C ATOM 968 O GLU A 99 -19.428 -0.523 -20.623 1.00 0.00 O ATOM 969 CB GLU A 99 -21.507 -2.853 -20.207 1.00 0.00 C ATOM 970 CG GLU A 99 -21.717 -4.259 -19.639 1.00 0.00 C ATOM 971 CD GLU A 99 -22.457 -5.120 -20.665 1.00 0.00 C ATOM 972 OE1 GLU A 99 -22.889 -4.573 -21.666 1.00 0.00 O ATOM 973 OE2 GLU A 99 -22.578 -6.311 -20.431 1.00 0.00 O ATOM 0 H GLU A 99 -22.281 -2.377 -17.880 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.735 -2.565 -19.025 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.469 -2.368 -20.371 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.009 -2.910 -21.175 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.756 -4.711 -19.395 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.289 -4.207 -18.713 1.00 0.00 H new ATOM 980 N SER A 100 -21.102 0.340 -19.489 1.00 0.00 N ATOM 981 CA SER A 100 -20.843 1.698 -20.044 1.00 0.00 C ATOM 982 C SER A 100 -21.867 2.685 -19.479 1.00 0.00 C ATOM 983 O SER A 100 -22.299 3.600 -20.151 1.00 0.00 O ATOM 984 CB SER A 100 -20.960 1.657 -21.570 1.00 0.00 C ATOM 985 OG SER A 100 -21.467 0.393 -21.970 1.00 0.00 O ATOM 0 H SER A 100 -21.886 0.279 -18.840 1.00 0.00 H new ATOM 0 HA SER A 100 -19.839 2.018 -19.766 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.620 2.452 -21.917 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.985 1.831 -22.025 1.00 0.00 H new ATOM 0 HG SER A 100 -21.544 0.365 -22.947 1.00 0.00 H new ATOM 991 N VAL A 101 -22.257 2.508 -18.246 1.00 0.00 N ATOM 992 CA VAL A 101 -23.251 3.437 -17.637 1.00 0.00 C ATOM 993 C VAL A 101 -22.856 3.732 -16.188 1.00 0.00 C ATOM 994 O VAL A 101 -22.026 3.056 -15.611 1.00 0.00 O ATOM 995 CB VAL A 101 -24.637 2.789 -17.668 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.598 3.594 -16.789 1.00 0.00 C ATOM 997 CG2 VAL A 101 -25.159 2.770 -19.107 1.00 0.00 C ATOM 0 H VAL A 101 -21.930 1.760 -17.634 1.00 0.00 H new ATOM 0 HA VAL A 101 -23.272 4.369 -18.202 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.568 1.768 -17.291 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.585 3.132 -16.811 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -25.228 3.609 -15.764 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.666 4.615 -17.165 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -26.146 2.309 -19.130 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -25.227 3.791 -19.483 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -24.476 2.197 -19.734 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.444 4.734 -15.595 1.00 0.00 N ATOM 1008 CA GLN A 102 -23.104 5.074 -14.185 1.00 0.00 C ATOM 1009 C GLN A 102 -24.391 5.216 -13.370 1.00 0.00 C ATOM 1010 O GLN A 102 -25.261 5.998 -13.698 1.00 0.00 O ATOM 1011 CB GLN A 102 -22.331 6.393 -14.153 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.943 6.186 -14.764 1.00 0.00 C ATOM 1013 CD GLN A 102 -20.101 7.446 -14.555 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.616 8.479 -14.175 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.817 7.404 -14.790 1.00 0.00 N ATOM 0 H GLN A 102 -24.147 5.333 -16.027 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.490 4.282 -13.757 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.874 7.158 -14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -22.239 6.748 -13.127 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.455 5.328 -14.301 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -21.031 5.967 -15.828 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -18.385 6.537 -15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -18.246 8.238 -14.655 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.519 4.465 -12.311 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.750 4.555 -11.477 1.00 0.00 C ATOM 1026 C LEU A 103 -25.528 5.562 -10.345 1.00 0.00 C ATOM 1027 O LEU A 103 -24.595 5.447 -9.575 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.059 3.181 -10.883 1.00 0.00 C ATOM 1029 CG LEU A 103 -26.926 2.386 -11.862 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.012 0.930 -11.401 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -28.330 2.991 -11.910 1.00 0.00 C ATOM 0 H LEU A 103 -23.824 3.793 -11.987 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.586 4.883 -12.094 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.133 2.643 -10.681 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -26.576 3.293 -9.930 1.00 0.00 H new ATOM 0 HG LEU A 103 -26.481 2.426 -12.856 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -27.629 0.364 -12.098 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -26.011 0.499 -11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.456 0.889 -10.407 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.947 2.424 -12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -28.777 2.953 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -28.268 4.028 -12.240 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.378 6.546 -10.238 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.213 7.556 -9.156 1.00 0.00 C ATOM 1045 C LYS A 104 -27.386 7.450 -8.179 1.00 0.00 C ATOM 1046 O LYS A 104 -28.536 7.454 -8.572 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.182 8.958 -9.768 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.872 9.148 -10.534 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.843 10.546 -11.156 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.731 10.612 -12.206 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.329 12.031 -12.416 1.00 0.00 N ATOM 0 H LYS A 104 -27.179 6.694 -10.852 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.279 7.372 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.031 9.093 -10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.271 9.711 -8.985 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.023 9.020 -9.862 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.780 8.390 -11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.806 10.772 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.674 11.296 -10.384 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -22.873 10.024 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.076 10.178 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.574 12.076 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -24.149 12.579 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.983 12.430 -11.520 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.106 7.349 -6.907 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.207 7.238 -5.910 1.00 0.00 C ATOM 1067 C VAL A 105 -28.271 8.515 -5.068 1.00 0.00 C ATOM 1068 O VAL A 105 -27.261 9.085 -4.709 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.946 6.036 -4.998 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -26.794 6.358 -4.044 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -29.206 5.726 -4.188 1.00 0.00 C ATOM 0 H VAL A 105 -26.164 7.339 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.155 7.103 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.683 5.171 -5.606 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -26.609 5.502 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -25.895 6.578 -4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -27.056 7.224 -3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -29.020 4.870 -3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.470 6.592 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -30.027 5.495 -4.867 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.455 8.966 -4.751 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.587 10.203 -3.931 1.00 0.00 C ATOM 1083 C ASN A 106 -30.681 10.001 -2.880 1.00 0.00 C ATOM 1084 O ASN A 106 -31.331 8.976 -2.836 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.961 11.378 -4.837 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.812 11.660 -5.806 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.018 11.758 -7.001 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.600 11.797 -5.341 1.00 0.00 N ATOM 0 H ASN A 106 -30.336 8.531 -5.025 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.640 10.414 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.871 11.148 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.169 12.263 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -26.827 11.986 -5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.426 11.715 -4.339 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.890 10.971 -2.031 1.00 0.00 N ATOM 1096 CA ILE A 107 -31.942 10.830 -0.985 1.00 0.00 C ATOM 1097 C ILE A 107 -33.127 11.737 -1.326 1.00 0.00 C ATOM 1098 O ILE A 107 -32.960 12.895 -1.649 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.366 11.234 0.374 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.112 10.409 0.665 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.409 10.977 1.464 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.504 10.858 1.996 1.00 0.00 C ATOM 0 H ILE A 107 -30.378 11.853 -2.017 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.278 9.794 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.107 12.293 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.363 9.349 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.387 10.534 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.001 11.264 2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.303 11.566 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.667 9.918 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.610 10.270 2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.239 11.914 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.230 10.710 2.796 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.322 11.217 -1.254 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.515 12.050 -1.573 1.00 0.00 C ATOM 1116 C ALA A 108 -35.704 13.108 -0.484 1.00 0.00 C ATOM 1117 O ALA A 108 -35.443 12.869 0.679 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.757 11.159 -1.639 1.00 0.00 C ATOM 0 H ALA A 108 -34.523 10.253 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.368 12.541 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.630 11.768 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.623 10.405 -2.415 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.904 10.668 -0.677 1.00 0.00 H new