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 43 TYR OH : rot -34:sc= 0.12 USER MOD Set 1.2: A 75 CYS SG : rot 144:sc= -2.57 USER MOD Set 2.1: A 40 ASN : amide:sc= -3.24! C(o=-4.6!,f=-7.8!) USER MOD Set 2.2: A 83 MET CE :methyl -146:sc= -1.37 (180deg=-0.879) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -159:sc= -0.375 (180deg=-1.87!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 59 SER OG : rot 56:sc= 0.946 USER MOD Single : A 63 ASN : amide:sc= -0.369 X(o=-0.37,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 140:sc= -1.05 (180deg=-5.56!) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 79 THR OG1 : rot 99:sc= 0.677 USER MOD Single : A 80 TYR OH : rot 167:sc= -6.33! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 94 ASN : amide:sc= -0.284 K(o=-0.28,f=-3.3!) USER MOD Single : A 96 THR OG1 : rot -123:sc= 0.864 USER MOD Single : A 97 GLN : amide:sc=-0.00159 K(o=-0.0016,f=-1.3!) USER MOD Single : A 100 SER OG : rot -46:sc= 0.911 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.61 K(o=-2.6,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.444 3.414 2.580 1.00 0.00 N ATOM 79 CA ASN A 40 -38.212 4.195 2.278 1.00 0.00 C ATOM 80 C ASN A 40 -37.972 4.205 0.767 1.00 0.00 C ATOM 81 O ASN A 40 -37.473 3.252 0.202 1.00 0.00 O ATOM 82 CB ASN A 40 -37.014 3.551 2.980 1.00 0.00 C ATOM 83 CG ASN A 40 -35.814 4.498 2.914 1.00 0.00 C ATOM 84 OD1 ASN A 40 -34.940 4.334 2.086 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.736 5.491 3.758 1.00 0.00 N ATOM 0 HA ASN A 40 -38.335 5.218 2.634 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.262 3.333 4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.768 2.601 2.505 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.941 6.129 3.722 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -36.470 5.628 4.453 1.00 0.00 H new ATOM 92 N THR A 41 -38.327 5.274 0.109 1.00 0.00 N ATOM 93 CA THR A 41 -38.122 5.343 -1.365 1.00 0.00 C ATOM 94 C THR A 41 -36.716 5.868 -1.662 1.00 0.00 C ATOM 95 O THR A 41 -36.228 6.770 -1.010 1.00 0.00 O ATOM 96 CB THR A 41 -39.159 6.285 -1.982 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.459 5.895 -1.560 1.00 0.00 O ATOM 98 CG2 THR A 41 -39.074 6.215 -3.507 1.00 0.00 C ATOM 0 H THR A 41 -38.750 6.102 0.528 1.00 0.00 H new ATOM 0 HA THR A 41 -38.236 4.347 -1.793 1.00 0.00 H new ATOM 0 HB THR A 41 -38.961 7.306 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 41 -41.125 6.498 -1.952 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.813 6.886 -3.944 1.00 0.00 H new ATOM 0 HG22 THR A 41 -38.077 6.514 -3.830 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.271 5.195 -3.836 1.00 0.00 H new ATOM 106 N LEU A 42 -36.061 5.312 -2.644 1.00 0.00 N ATOM 107 CA LEU A 42 -34.687 5.779 -2.984 1.00 0.00 C ATOM 108 C LEU A 42 -34.712 6.484 -4.342 1.00 0.00 C ATOM 109 O LEU A 42 -35.551 6.212 -5.177 1.00 0.00 O ATOM 110 CB LEU A 42 -33.741 4.579 -3.051 1.00 0.00 C ATOM 111 CG LEU A 42 -33.712 3.876 -1.692 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.786 2.787 -1.658 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.336 3.243 -1.475 1.00 0.00 C ATOM 0 H LEU A 42 -36.418 4.554 -3.226 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.339 6.473 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.071 3.885 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.738 4.908 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.906 4.602 -0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.766 2.286 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.766 3.238 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.592 2.060 -2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.314 2.742 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.141 2.517 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.571 4.019 -1.499 1.00 0.00 H new ATOM 125 N TYR A 43 -33.798 7.387 -4.569 1.00 0.00 N ATOM 126 CA TYR A 43 -33.772 8.107 -5.874 1.00 0.00 C ATOM 127 C TYR A 43 -32.622 7.570 -6.728 1.00 0.00 C ATOM 128 O TYR A 43 -31.462 7.733 -6.400 1.00 0.00 O ATOM 129 CB TYR A 43 -33.568 9.604 -5.627 1.00 0.00 C ATOM 130 CG TYR A 43 -33.638 10.346 -6.940 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.876 10.763 -7.443 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.465 10.618 -7.653 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.941 11.452 -8.660 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.530 11.307 -8.871 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.768 11.724 -9.374 1.00 0.00 C ATOM 136 OH TYR A 43 -33.832 12.402 -10.574 1.00 0.00 O ATOM 0 H TYR A 43 -33.069 7.657 -3.909 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.717 7.950 -6.395 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.331 9.978 -4.945 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.603 9.776 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.781 10.553 -6.892 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.510 10.297 -7.264 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.896 11.774 -9.048 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.625 11.516 -9.422 1.00 0.00 H new ATOM 0 HH TYR A 43 -34.657 12.159 -11.043 1.00 0.00 H new ATOM 146 N VAL A 44 -32.932 6.928 -7.821 1.00 0.00 N ATOM 147 CA VAL A 44 -31.855 6.379 -8.695 1.00 0.00 C ATOM 148 C VAL A 44 -31.781 7.195 -9.987 1.00 0.00 C ATOM 149 O VAL A 44 -32.787 7.544 -10.572 1.00 0.00 O ATOM 150 CB VAL A 44 -32.167 4.919 -9.031 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.041 4.342 -9.890 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.287 4.111 -7.737 1.00 0.00 C ATOM 0 H VAL A 44 -33.884 6.760 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.899 6.436 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.107 4.866 -9.580 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.263 3.302 -10.130 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.956 4.917 -10.812 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.101 4.395 -9.341 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.509 3.071 -7.977 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.348 4.164 -7.187 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.090 4.522 -7.125 1.00 0.00 H new ATOM 162 N TYR A 45 -30.595 7.502 -10.439 1.00 0.00 N ATOM 163 CA TYR A 45 -30.456 8.295 -11.693 1.00 0.00 C ATOM 164 C TYR A 45 -29.445 7.614 -12.618 1.00 0.00 C ATOM 165 O TYR A 45 -28.513 6.975 -12.171 1.00 0.00 O ATOM 166 CB TYR A 45 -29.967 9.705 -11.355 1.00 0.00 C ATOM 167 CG TYR A 45 -29.887 10.527 -12.618 1.00 0.00 C ATOM 168 CD1 TYR A 45 -31.022 11.199 -13.088 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.680 10.617 -13.320 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.949 11.961 -14.260 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.607 11.379 -14.492 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.740 12.052 -14.962 1.00 0.00 C ATOM 173 OH TYR A 45 -29.670 12.803 -16.118 1.00 0.00 O ATOM 0 H TYR A 45 -29.716 7.238 -9.993 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.423 8.356 -12.192 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.646 10.176 -10.644 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.988 9.657 -10.877 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.954 11.129 -12.546 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.805 10.099 -12.958 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.825 12.479 -14.623 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.675 11.447 -15.034 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.760 12.762 -16.480 1.00 0.00 H new ATOM 183 N GLY A 46 -29.620 7.745 -13.905 1.00 0.00 N ATOM 184 CA GLY A 46 -28.666 7.106 -14.854 1.00 0.00 C ATOM 185 C GLY A 46 -29.216 7.206 -16.278 1.00 0.00 C ATOM 186 O GLY A 46 -30.223 7.841 -16.522 1.00 0.00 O ATOM 0 H GLY A 46 -30.382 8.266 -14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.694 7.595 -14.793 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.514 6.061 -14.584 1.00 0.00 H new ATOM 190 N GLU A 47 -28.561 6.585 -17.220 1.00 0.00 N ATOM 191 CA GLU A 47 -29.044 6.644 -18.629 1.00 0.00 C ATOM 192 C GLU A 47 -29.314 5.224 -19.134 1.00 0.00 C ATOM 193 O GLU A 47 -28.745 4.265 -18.650 1.00 0.00 O ATOM 194 CB GLU A 47 -27.979 7.303 -19.508 1.00 0.00 C ATOM 195 CG GLU A 47 -27.740 8.737 -19.030 1.00 0.00 C ATOM 196 CD GLU A 47 -26.750 9.428 -19.970 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.182 8.745 -20.806 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.578 10.629 -19.837 1.00 0.00 O ATOM 0 H GLU A 47 -27.712 6.039 -17.075 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.963 7.228 -18.674 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.051 6.733 -19.462 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.301 7.304 -20.549 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.681 9.286 -19.008 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.350 8.732 -18.012 1.00 0.00 H new ATOM 205 N ASP A 48 -30.179 5.081 -20.101 1.00 0.00 N ATOM 206 CA ASP A 48 -30.483 3.723 -20.632 1.00 0.00 C ATOM 207 C ASP A 48 -30.654 2.746 -19.467 1.00 0.00 C ATOM 208 O ASP A 48 -29.993 1.729 -19.397 1.00 0.00 O ATOM 209 CB ASP A 48 -29.332 3.255 -21.525 1.00 0.00 C ATOM 210 CG ASP A 48 -29.200 4.196 -22.724 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.140 4.928 -22.983 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.161 4.167 -23.364 1.00 0.00 O ATOM 0 H ASP A 48 -30.688 5.845 -20.545 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.404 3.759 -21.214 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.401 3.239 -20.958 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.514 2.236 -21.867 1.00 0.00 H new ATOM 217 N MET A 49 -31.535 3.046 -18.553 1.00 0.00 N ATOM 218 CA MET A 49 -31.746 2.134 -17.395 1.00 0.00 C ATOM 219 C MET A 49 -33.041 1.345 -17.593 1.00 0.00 C ATOM 220 O MET A 49 -34.016 1.852 -18.112 1.00 0.00 O ATOM 221 CB MET A 49 -31.842 2.957 -16.108 1.00 0.00 C ATOM 222 CG MET A 49 -30.463 3.523 -15.761 1.00 0.00 C ATOM 223 SD MET A 49 -30.519 4.280 -14.117 1.00 0.00 S ATOM 224 CE MET A 49 -31.841 5.467 -14.459 1.00 0.00 C ATOM 0 H MET A 49 -32.118 3.883 -18.558 1.00 0.00 H new ATOM 0 HA MET A 49 -30.907 1.441 -17.323 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.559 3.768 -16.235 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.207 2.334 -15.292 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.716 2.729 -15.783 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.164 4.262 -16.504 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.798 6.279 -13.733 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.716 5.871 -15.463 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.807 4.967 -14.387 1.00 0.00 H new ATOM 234 N THR A 50 -33.061 0.106 -17.183 1.00 0.00 N ATOM 235 CA THR A 50 -34.292 -0.716 -17.347 1.00 0.00 C ATOM 236 C THR A 50 -34.774 -1.189 -15.973 1.00 0.00 C ATOM 237 O THR A 50 -34.044 -1.144 -15.003 1.00 0.00 O ATOM 238 CB THR A 50 -33.980 -1.930 -18.226 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.711 -2.459 -17.867 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.960 -1.505 -19.696 1.00 0.00 C ATOM 0 H THR A 50 -32.276 -0.373 -16.741 1.00 0.00 H new ATOM 0 HA THR A 50 -35.071 -0.117 -17.819 1.00 0.00 H new ATOM 0 HB THR A 50 -34.746 -2.692 -18.080 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.511 -3.237 -18.428 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.738 -2.369 -20.322 1.00 0.00 H new ATOM 0 HG22 THR A 50 -34.934 -1.099 -19.971 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.194 -0.743 -19.844 1.00 0.00 H new ATOM 248 N PRO A 51 -36.030 -1.650 -15.893 1.00 0.00 N ATOM 249 CA PRO A 51 -36.619 -2.133 -14.636 1.00 0.00 C ATOM 250 C PRO A 51 -35.969 -3.438 -14.168 1.00 0.00 C ATOM 251 O PRO A 51 -35.535 -3.555 -13.039 1.00 0.00 O ATOM 252 CB PRO A 51 -38.085 -2.373 -14.996 1.00 0.00 C ATOM 253 CG PRO A 51 -38.075 -2.606 -16.468 1.00 0.00 C ATOM 254 CD PRO A 51 -36.978 -1.740 -17.018 1.00 0.00 C ATOM 0 HA PRO A 51 -36.480 -1.425 -13.819 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.489 -3.232 -14.461 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.704 -1.515 -14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.894 -3.656 -16.695 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.036 -2.346 -16.911 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.517 -2.185 -17.900 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.348 -0.758 -17.313 1.00 0.00 H new ATOM 262 N THR A 52 -35.898 -4.420 -15.025 1.00 0.00 N ATOM 263 CA THR A 52 -35.273 -5.712 -14.623 1.00 0.00 C ATOM 264 C THR A 52 -33.840 -5.456 -14.157 1.00 0.00 C ATOM 265 O THR A 52 -33.370 -6.048 -13.204 1.00 0.00 O ATOM 266 CB THR A 52 -35.264 -6.669 -15.817 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.053 -6.122 -16.866 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.838 -8.023 -15.393 1.00 0.00 C ATOM 0 H THR A 52 -36.245 -4.384 -15.984 1.00 0.00 H new ATOM 0 HA THR A 52 -35.845 -6.158 -13.810 1.00 0.00 H new ATOM 0 HB THR A 52 -34.241 -6.806 -16.167 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.047 -6.733 -17.632 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.831 -8.704 -16.244 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.231 -8.440 -14.590 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.862 -7.891 -15.043 1.00 0.00 H new ATOM 276 N LEU A 53 -33.143 -4.575 -14.818 1.00 0.00 N ATOM 277 CA LEU A 53 -31.743 -4.276 -14.409 1.00 0.00 C ATOM 278 C LEU A 53 -31.747 -3.669 -13.005 1.00 0.00 C ATOM 279 O LEU A 53 -30.957 -4.034 -12.157 1.00 0.00 O ATOM 280 CB LEU A 53 -31.124 -3.281 -15.394 1.00 0.00 C ATOM 281 CG LEU A 53 -29.629 -3.135 -15.100 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.909 -4.439 -15.452 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.055 -1.992 -15.941 1.00 0.00 C ATOM 0 H LEU A 53 -33.482 -4.049 -15.624 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.158 -5.195 -14.409 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.272 -3.626 -16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.618 -2.313 -15.309 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.486 -2.916 -14.042 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.844 -4.335 -15.243 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.318 -5.253 -14.854 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.051 -4.659 -16.510 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.990 -1.886 -15.733 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.198 -2.211 -16.999 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.567 -1.063 -15.691 1.00 0.00 H new ATOM 295 N LEU A 54 -32.638 -2.749 -12.752 1.00 0.00 N ATOM 296 CA LEU A 54 -32.698 -2.124 -11.401 1.00 0.00 C ATOM 297 C LEU A 54 -33.062 -3.192 -10.368 1.00 0.00 C ATOM 298 O LEU A 54 -32.449 -3.293 -9.323 1.00 0.00 O ATOM 299 CB LEU A 54 -33.762 -1.025 -11.393 1.00 0.00 C ATOM 300 CG LEU A 54 -33.286 0.150 -12.249 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.490 0.805 -12.930 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.582 1.176 -11.360 1.00 0.00 C ATOM 0 H LEU A 54 -33.326 -2.404 -13.422 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.728 -1.691 -11.155 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.704 -1.413 -11.780 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.950 -0.693 -10.372 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.591 -0.210 -13.008 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.152 1.642 -13.540 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.992 0.074 -13.564 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.185 1.166 -12.172 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.243 2.014 -11.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.276 1.537 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.725 0.710 -10.875 1.00 0.00 H new ATOM 314 N ARG A 55 -34.053 -3.990 -10.653 1.00 0.00 N ATOM 315 CA ARG A 55 -34.454 -5.053 -9.691 1.00 0.00 C ATOM 316 C ARG A 55 -33.217 -5.850 -9.276 1.00 0.00 C ATOM 317 O ARG A 55 -33.076 -6.249 -8.137 1.00 0.00 O ATOM 318 CB ARG A 55 -35.466 -5.989 -10.355 1.00 0.00 C ATOM 319 CG ARG A 55 -36.781 -5.241 -10.580 1.00 0.00 C ATOM 320 CD ARG A 55 -37.821 -6.202 -11.160 1.00 0.00 C ATOM 321 NE ARG A 55 -38.231 -7.181 -10.114 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.660 -8.353 -10.058 1.00 0.00 C ATOM 323 NH1 ARG A 55 -36.835 -8.630 -9.085 1.00 0.00 N ATOM 324 NH2 ARG A 55 -37.914 -9.247 -10.973 1.00 0.00 N ATOM 0 H ARG A 55 -34.603 -3.952 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.908 -4.597 -8.811 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.074 -6.351 -11.305 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.635 -6.863 -9.727 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.140 -4.824 -9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.624 -4.404 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -38.689 -5.645 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.407 -6.726 -12.021 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.958 -6.935 -9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -36.637 -7.931 -8.369 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -36.388 -9.546 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -38.559 -9.030 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -37.467 -10.163 -10.929 1.00 0.00 H new ATOM 338 N GLY A 56 -32.317 -6.082 -10.191 1.00 0.00 N ATOM 339 CA GLY A 56 -31.087 -6.851 -9.850 1.00 0.00 C ATOM 340 C GLY A 56 -30.138 -5.958 -9.047 1.00 0.00 C ATOM 341 O GLY A 56 -29.390 -6.424 -8.212 1.00 0.00 O ATOM 0 H GLY A 56 -32.380 -5.772 -11.161 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.347 -7.737 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.597 -7.197 -10.760 1.00 0.00 H new ATOM 345 N ALA A 57 -30.166 -4.677 -9.292 1.00 0.00 N ATOM 346 CA ALA A 57 -29.268 -3.755 -8.542 1.00 0.00 C ATOM 347 C ALA A 57 -29.873 -3.467 -7.166 1.00 0.00 C ATOM 348 O ALA A 57 -29.238 -2.889 -6.307 1.00 0.00 O ATOM 349 CB ALA A 57 -29.117 -2.443 -9.316 1.00 0.00 C ATOM 0 H ALA A 57 -30.772 -4.229 -9.979 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.289 -4.219 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.460 -1.770 -8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.689 -2.647 -10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.095 -1.977 -9.437 1.00 0.00 H new ATOM 355 N PHE A 58 -31.097 -3.866 -6.953 1.00 0.00 N ATOM 356 CA PHE A 58 -31.747 -3.619 -5.634 1.00 0.00 C ATOM 357 C PHE A 58 -32.362 -4.922 -5.113 1.00 0.00 C ATOM 358 O PHE A 58 -32.933 -4.966 -4.042 1.00 0.00 O ATOM 359 CB PHE A 58 -32.848 -2.570 -5.802 1.00 0.00 C ATOM 360 CG PHE A 58 -32.222 -1.219 -6.063 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.858 -0.857 -7.366 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.007 -0.331 -5.003 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.279 0.395 -7.607 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.428 0.921 -5.245 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.064 1.284 -6.547 1.00 0.00 C ATOM 0 H PHE A 58 -31.676 -4.353 -7.637 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.003 -3.260 -4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.504 -2.845 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.466 -2.529 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.024 -1.543 -8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.288 -0.611 -3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.998 0.675 -8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.262 1.606 -4.427 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.617 2.249 -6.734 1.00 0.00 H new ATOM 375 N SER A 59 -32.250 -5.984 -5.865 1.00 0.00 N ATOM 376 CA SER A 59 -32.828 -7.283 -5.421 1.00 0.00 C ATOM 377 C SER A 59 -32.048 -7.822 -4.218 1.00 0.00 C ATOM 378 O SER A 59 -32.617 -8.123 -3.188 1.00 0.00 O ATOM 379 CB SER A 59 -32.752 -8.292 -6.570 1.00 0.00 C ATOM 380 OG SER A 59 -33.965 -8.263 -7.308 1.00 0.00 O ATOM 0 H SER A 59 -31.781 -6.007 -6.771 1.00 0.00 H new ATOM 0 HA SER A 59 -33.868 -7.131 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 59 -31.912 -8.054 -7.222 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.577 -9.294 -6.177 1.00 0.00 H new ATOM 0 HG SER A 59 -34.137 -7.350 -7.619 1.00 0.00 H new ATOM 386 N PRO A 60 -30.717 -7.956 -4.353 1.00 0.00 N ATOM 387 CA PRO A 60 -29.862 -8.470 -3.275 1.00 0.00 C ATOM 388 C PRO A 60 -29.780 -7.500 -2.093 1.00 0.00 C ATOM 389 O PRO A 60 -29.529 -7.896 -0.971 1.00 0.00 O ATOM 390 CB PRO A 60 -28.491 -8.610 -3.939 1.00 0.00 C ATOM 391 CG PRO A 60 -28.520 -7.636 -5.066 1.00 0.00 C ATOM 392 CD PRO A 60 -29.940 -7.616 -5.560 1.00 0.00 C ATOM 0 HA PRO A 60 -30.246 -9.402 -2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.686 -8.383 -3.239 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.325 -9.626 -4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.208 -6.646 -4.734 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.835 -7.936 -5.859 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.216 -6.638 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.099 -8.340 -6.359 1.00 0.00 H new ATOM 400 N PHE A 61 -29.990 -6.236 -2.331 1.00 0.00 N ATOM 401 CA PHE A 61 -29.925 -5.249 -1.216 1.00 0.00 C ATOM 402 C PHE A 61 -31.156 -5.410 -0.323 1.00 0.00 C ATOM 403 O PHE A 61 -31.202 -4.908 0.784 1.00 0.00 O ATOM 404 CB PHE A 61 -29.893 -3.832 -1.789 1.00 0.00 C ATOM 405 CG PHE A 61 -28.519 -3.545 -2.345 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.452 -3.288 -1.477 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.314 -3.538 -3.729 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.178 -3.023 -1.993 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.040 -3.271 -4.246 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.971 -3.014 -3.378 1.00 0.00 C ATOM 0 H PHE A 61 -30.204 -5.843 -3.248 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.023 -5.423 -0.629 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.643 -3.728 -2.573 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.141 -3.108 -1.012 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.611 -3.294 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.138 -3.738 -4.398 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.354 -2.825 -1.323 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.882 -3.263 -5.314 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.988 -2.809 -3.776 1.00 0.00 H new ATOM 420 N GLY A 62 -32.155 -6.105 -0.793 1.00 0.00 N ATOM 421 CA GLY A 62 -33.382 -6.297 0.030 1.00 0.00 C ATOM 422 C GLY A 62 -34.597 -6.434 -0.889 1.00 0.00 C ATOM 423 O GLY A 62 -34.508 -6.239 -2.085 1.00 0.00 O ATOM 0 H GLY A 62 -32.175 -6.548 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.280 -7.187 0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.516 -5.451 0.704 1.00 0.00 H new ATOM 427 N ASN A 63 -35.731 -6.769 -0.339 1.00 0.00 N ATOM 428 CA ASN A 63 -36.951 -6.919 -1.181 1.00 0.00 C ATOM 429 C ASN A 63 -37.563 -5.542 -1.442 1.00 0.00 C ATOM 430 O ASN A 63 -37.559 -4.677 -0.587 1.00 0.00 O ATOM 431 CB ASN A 63 -37.968 -7.800 -0.453 1.00 0.00 C ATOM 432 CG ASN A 63 -37.360 -9.182 -0.206 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.489 -9.730 0.871 1.00 0.00 O ATOM 434 ND2 ASN A 63 -36.701 -9.772 -1.164 1.00 0.00 N ATOM 0 H ASN A 63 -35.866 -6.945 0.657 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.683 -7.383 -2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.251 -7.341 0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.877 -7.892 -1.047 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.293 -10.694 -1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -36.593 -9.311 -2.068 1.00 0.00 H new ATOM 441 N ILE A 64 -38.091 -5.329 -2.617 1.00 0.00 N ATOM 442 CA ILE A 64 -38.704 -4.007 -2.928 1.00 0.00 C ATOM 443 C ILE A 64 -40.228 -4.134 -2.900 1.00 0.00 C ATOM 444 O ILE A 64 -40.806 -4.951 -3.590 1.00 0.00 O ATOM 445 CB ILE A 64 -38.257 -3.551 -4.319 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.729 -3.491 -4.371 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.833 -2.164 -4.607 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.272 -3.377 -5.826 1.00 0.00 C ATOM 0 H ILE A 64 -38.124 -6.012 -3.373 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.385 -3.275 -2.186 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.617 -4.257 -5.067 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.368 -2.637 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.304 -4.385 -3.914 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.516 -1.837 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.922 -2.207 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.473 -1.458 -3.859 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.183 -3.334 -5.863 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.620 -4.245 -6.386 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.686 -2.470 -6.267 1.00 0.00 H new ATOM 460 N ILE A 65 -40.885 -3.333 -2.106 1.00 0.00 N ATOM 461 CA ILE A 65 -42.371 -3.409 -2.034 1.00 0.00 C ATOM 462 C ILE A 65 -42.981 -2.607 -3.185 1.00 0.00 C ATOM 463 O ILE A 65 -44.067 -2.892 -3.647 1.00 0.00 O ATOM 464 CB ILE A 65 -42.847 -2.830 -0.700 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.641 -1.314 -0.700 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.043 -3.453 0.442 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.310 -0.710 0.536 1.00 0.00 C ATOM 0 H ILE A 65 -40.457 -2.630 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.685 -4.450 -2.112 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.905 -3.053 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.576 -1.081 -0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.064 -0.878 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.382 -3.041 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.189 -4.533 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -40.985 -3.230 0.306 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.164 0.370 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.377 -0.932 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.866 -1.137 1.435 1.00 0.00 H new ATOM 479 N ASP A 66 -42.289 -1.603 -3.653 1.00 0.00 N ATOM 480 CA ASP A 66 -42.831 -0.784 -4.773 1.00 0.00 C ATOM 481 C ASP A 66 -41.678 -0.268 -5.635 1.00 0.00 C ATOM 482 O ASP A 66 -40.823 0.463 -5.175 1.00 0.00 O ATOM 483 CB ASP A 66 -43.613 0.402 -4.206 1.00 0.00 C ATOM 484 CG ASP A 66 -44.297 1.155 -5.349 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.258 0.663 -6.464 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.847 2.213 -5.090 1.00 0.00 O ATOM 0 H ASP A 66 -41.373 -1.316 -3.308 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.493 -1.399 -5.383 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.357 0.052 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.941 1.070 -3.667 1.00 0.00 H new ATOM 491 N LEU A 67 -41.647 -0.642 -6.886 1.00 0.00 N ATOM 492 CA LEU A 67 -40.552 -0.171 -7.779 1.00 0.00 C ATOM 493 C LEU A 67 -41.127 0.789 -8.822 1.00 0.00 C ATOM 494 O LEU A 67 -42.039 0.453 -9.551 1.00 0.00 O ATOM 495 CB LEU A 67 -39.917 -1.375 -8.482 1.00 0.00 C ATOM 496 CG LEU A 67 -38.620 -0.944 -9.172 1.00 0.00 C ATOM 497 CD1 LEU A 67 -38.950 -0.064 -10.379 1.00 0.00 C ATOM 498 CD2 LEU A 67 -37.753 -0.156 -8.187 1.00 0.00 C ATOM 0 H LEU A 67 -42.334 -1.254 -7.327 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.794 0.345 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.711 -2.164 -7.758 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.610 -1.788 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.077 -1.828 -9.506 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -38.026 0.242 -10.869 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -39.565 -0.626 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -39.495 0.820 -10.047 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -36.830 0.150 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.296 0.728 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -37.515 -0.784 -7.328 1.00 0.00 H new ATOM 510 N SER A 68 -40.603 1.982 -8.897 1.00 0.00 N ATOM 511 CA SER A 68 -41.124 2.961 -9.893 1.00 0.00 C ATOM 512 C SER A 68 -39.970 3.486 -10.750 1.00 0.00 C ATOM 513 O SER A 68 -38.835 3.532 -10.321 1.00 0.00 O ATOM 514 CB SER A 68 -41.787 4.128 -9.158 1.00 0.00 C ATOM 515 OG SER A 68 -42.441 4.968 -10.097 1.00 0.00 O ATOM 0 H SER A 68 -39.838 2.321 -8.313 1.00 0.00 H new ATOM 0 HA SER A 68 -41.856 2.471 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.505 3.752 -8.429 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.039 4.696 -8.605 1.00 0.00 H new ATOM 0 HG SER A 68 -42.867 5.715 -9.627 1.00 0.00 H new ATOM 521 N MET A 69 -40.254 3.884 -11.961 1.00 0.00 N ATOM 522 CA MET A 69 -39.177 4.407 -12.847 1.00 0.00 C ATOM 523 C MET A 69 -39.606 5.755 -13.430 1.00 0.00 C ATOM 524 O MET A 69 -40.772 5.992 -13.678 1.00 0.00 O ATOM 525 CB MET A 69 -38.925 3.416 -13.984 1.00 0.00 C ATOM 526 CG MET A 69 -38.331 2.126 -13.415 1.00 0.00 C ATOM 527 SD MET A 69 -37.779 1.066 -14.774 1.00 0.00 S ATOM 528 CE MET A 69 -36.325 2.036 -15.240 1.00 0.00 C ATOM 0 H MET A 69 -41.186 3.869 -12.374 1.00 0.00 H new ATOM 0 HA MET A 69 -38.262 4.536 -12.269 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.857 3.200 -14.506 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.244 3.851 -14.715 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.493 2.358 -12.757 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.075 1.605 -12.812 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.502 1.364 -15.482 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.560 2.649 -16.110 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.036 2.680 -14.410 1.00 0.00 H new ATOM 538 N ASP A 70 -38.674 6.642 -13.650 1.00 0.00 N ATOM 539 CA ASP A 70 -39.031 7.974 -14.216 1.00 0.00 C ATOM 540 C ASP A 70 -38.280 8.189 -15.532 1.00 0.00 C ATOM 541 O ASP A 70 -37.133 8.588 -15.545 1.00 0.00 O ATOM 542 CB ASP A 70 -38.640 9.070 -13.223 1.00 0.00 C ATOM 543 CG ASP A 70 -39.896 9.803 -12.749 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.903 9.144 -12.547 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.831 11.012 -12.595 1.00 0.00 O ATOM 0 H ASP A 70 -37.681 6.502 -13.462 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.105 8.014 -14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.118 8.634 -12.371 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.952 9.773 -13.693 1.00 0.00 H new ATOM 550 N PRO A 71 -38.949 7.917 -16.664 1.00 0.00 N ATOM 551 CA PRO A 71 -38.350 8.080 -17.990 1.00 0.00 C ATOM 552 C PRO A 71 -38.226 9.552 -18.436 1.00 0.00 C ATOM 553 O PRO A 71 -37.347 9.880 -19.209 1.00 0.00 O ATOM 554 CB PRO A 71 -39.302 7.322 -18.913 1.00 0.00 C ATOM 555 CG PRO A 71 -40.619 7.317 -18.211 1.00 0.00 C ATOM 556 CD PRO A 71 -40.338 7.425 -16.732 1.00 0.00 C ATOM 0 HA PRO A 71 -37.326 7.707 -18.003 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.377 7.810 -19.885 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.949 6.306 -19.092 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.237 8.150 -18.547 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.169 6.402 -18.432 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.029 8.113 -16.244 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.444 6.461 -16.235 1.00 0.00 H new ATOM 564 N PRO A 72 -39.104 10.465 -17.961 1.00 0.00 N ATOM 565 CA PRO A 72 -39.033 11.877 -18.355 1.00 0.00 C ATOM 566 C PRO A 72 -37.884 12.606 -17.651 1.00 0.00 C ATOM 567 O PRO A 72 -37.385 13.606 -18.128 1.00 0.00 O ATOM 568 CB PRO A 72 -40.369 12.453 -17.894 1.00 0.00 C ATOM 569 CG PRO A 72 -40.802 11.572 -16.771 1.00 0.00 C ATOM 570 CD PRO A 72 -40.216 10.210 -17.023 1.00 0.00 C ATOM 0 HA PRO A 72 -38.853 11.990 -19.424 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.261 13.487 -17.566 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.100 12.450 -18.702 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.457 11.968 -15.816 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.890 11.520 -16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.862 9.751 -16.100 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.953 9.532 -17.453 1.00 0.00 H new ATOM 578 N ARG A 73 -37.463 12.114 -16.518 1.00 0.00 N ATOM 579 CA ARG A 73 -36.349 12.778 -15.784 1.00 0.00 C ATOM 580 C ARG A 73 -35.110 11.880 -15.811 1.00 0.00 C ATOM 581 O ARG A 73 -34.081 12.211 -15.257 1.00 0.00 O ATOM 582 CB ARG A 73 -36.771 13.023 -14.334 1.00 0.00 C ATOM 583 CG ARG A 73 -37.962 13.983 -14.304 1.00 0.00 C ATOM 584 CD ARG A 73 -38.294 14.339 -12.852 1.00 0.00 C ATOM 585 NE ARG A 73 -39.575 15.100 -12.807 1.00 0.00 N ATOM 586 CZ ARG A 73 -39.869 15.822 -11.760 1.00 0.00 C ATOM 587 NH1 ARG A 73 -40.658 15.343 -10.838 1.00 0.00 N ATOM 588 NH2 ARG A 73 -39.374 17.023 -11.637 1.00 0.00 N ATOM 0 H ARG A 73 -37.843 11.281 -16.069 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.116 13.730 -16.261 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.039 12.080 -13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.939 13.441 -13.768 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.729 14.887 -14.867 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.826 13.523 -14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.377 13.432 -12.254 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.490 14.934 -12.419 1.00 0.00 H new ATOM 0 HE ARG A 73 -40.222 15.057 -13.594 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -41.045 14.404 -10.935 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -40.888 15.907 -10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -38.758 17.397 -12.359 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -39.603 17.588 -10.819 1.00 0.00 H new ATOM 602 N ASN A 74 -35.198 10.744 -16.449 1.00 0.00 N ATOM 603 CA ASN A 74 -34.024 9.830 -16.508 1.00 0.00 C ATOM 604 C ASN A 74 -33.658 9.378 -15.092 1.00 0.00 C ATOM 605 O ASN A 74 -32.498 9.292 -14.738 1.00 0.00 O ATOM 606 CB ASN A 74 -32.835 10.564 -17.132 1.00 0.00 C ATOM 607 CG ASN A 74 -33.207 11.033 -18.541 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.852 10.318 -19.281 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.824 12.213 -18.944 1.00 0.00 N ATOM 0 H ASN A 74 -36.033 10.411 -16.931 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.272 8.960 -17.115 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.556 11.418 -16.515 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.968 9.905 -17.174 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -33.066 12.535 -19.881 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -32.282 12.813 -18.322 1.00 0.00 H new ATOM 616 N CYS A 75 -34.637 9.088 -14.281 1.00 0.00 N ATOM 617 CA CYS A 75 -34.344 8.644 -12.889 1.00 0.00 C ATOM 618 C CYS A 75 -35.370 7.590 -12.464 1.00 0.00 C ATOM 619 O CYS A 75 -36.436 7.480 -13.037 1.00 0.00 O ATOM 620 CB CYS A 75 -34.424 9.843 -11.943 1.00 0.00 C ATOM 621 SG CYS A 75 -36.110 10.502 -11.943 1.00 0.00 S ATOM 0 H CYS A 75 -35.627 9.139 -14.521 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.343 8.215 -12.848 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.140 9.543 -10.934 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.721 10.615 -12.257 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.416 10.910 -10.747 1.00 0.00 H new ATOM 627 N ALA A 76 -35.055 6.812 -11.465 1.00 0.00 N ATOM 628 CA ALA A 76 -36.012 5.767 -11.004 1.00 0.00 C ATOM 629 C ALA A 76 -36.118 5.809 -9.479 1.00 0.00 C ATOM 630 O ALA A 76 -35.279 6.372 -8.804 1.00 0.00 O ATOM 631 CB ALA A 76 -35.510 4.389 -11.443 1.00 0.00 C ATOM 0 H ALA A 76 -34.177 6.855 -10.948 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.993 5.954 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.209 3.623 -11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.434 4.359 -12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.529 4.203 -11.005 1.00 0.00 H new ATOM 637 N PHE A 77 -37.144 5.219 -8.930 1.00 0.00 N ATOM 638 CA PHE A 77 -37.304 5.227 -7.449 1.00 0.00 C ATOM 639 C PHE A 77 -37.322 3.788 -6.930 1.00 0.00 C ATOM 640 O PHE A 77 -37.883 2.904 -7.547 1.00 0.00 O ATOM 641 CB PHE A 77 -38.617 5.920 -7.082 1.00 0.00 C ATOM 642 CG PHE A 77 -38.580 7.350 -7.561 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.075 8.355 -6.727 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.049 7.672 -8.840 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.039 9.681 -7.171 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.013 8.999 -9.285 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.509 10.004 -8.451 1.00 0.00 C ATOM 0 H PHE A 77 -37.878 4.732 -9.443 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.471 5.765 -6.996 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.457 5.395 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.767 5.890 -6.003 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.713 8.106 -5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.439 6.897 -9.483 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.649 10.456 -6.527 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.374 9.247 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.482 11.028 -8.794 1.00 0.00 H new ATOM 657 N VAL A 78 -36.715 3.546 -5.801 1.00 0.00 N ATOM 658 CA VAL A 78 -36.701 2.163 -5.248 1.00 0.00 C ATOM 659 C VAL A 78 -37.297 2.170 -3.839 1.00 0.00 C ATOM 660 O VAL A 78 -36.960 2.999 -3.017 1.00 0.00 O ATOM 661 CB VAL A 78 -35.261 1.651 -5.190 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.254 0.200 -4.707 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.637 1.726 -6.585 1.00 0.00 C ATOM 0 H VAL A 78 -36.229 4.245 -5.239 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.293 1.510 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.685 2.267 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.228 -0.165 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.699 0.145 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.830 -0.416 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.611 1.361 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.214 1.110 -7.275 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.641 2.760 -6.930 1.00 0.00 H new ATOM 673 N THR A 79 -38.179 1.253 -3.552 1.00 0.00 N ATOM 674 CA THR A 79 -38.792 1.208 -2.195 1.00 0.00 C ATOM 675 C THR A 79 -38.306 -0.041 -1.457 1.00 0.00 C ATOM 676 O THR A 79 -38.416 -1.146 -1.951 1.00 0.00 O ATOM 677 CB THR A 79 -40.318 1.163 -2.323 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.761 2.283 -3.076 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.950 1.198 -0.932 1.00 0.00 C ATOM 0 H THR A 79 -38.502 0.533 -4.198 1.00 0.00 H new ATOM 0 HA THR A 79 -38.501 2.098 -1.636 1.00 0.00 H new ATOM 0 HB THR A 79 -40.614 0.244 -2.830 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.914 2.013 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 79 -42.036 1.166 -1.025 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.609 0.338 -0.356 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.656 2.115 -0.422 1.00 0.00 H new ATOM 687 N TYR A 80 -37.767 0.124 -0.281 1.00 0.00 N ATOM 688 CA TYR A 80 -37.273 -1.056 0.483 1.00 0.00 C ATOM 689 C TYR A 80 -38.148 -1.268 1.719 1.00 0.00 C ATOM 690 O TYR A 80 -38.672 -0.331 2.288 1.00 0.00 O ATOM 691 CB TYR A 80 -35.828 -0.812 0.923 1.00 0.00 C ATOM 692 CG TYR A 80 -34.881 -1.271 -0.161 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.087 -2.500 -0.799 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.795 -0.467 -0.525 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.206 -2.925 -1.802 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.915 -0.890 -1.529 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.121 -2.118 -2.166 1.00 0.00 C ATOM 698 OH TYR A 80 -32.253 -2.536 -3.156 1.00 0.00 O ATOM 0 H TYR A 80 -37.647 1.024 0.184 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.317 -1.941 -0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.674 0.247 1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.624 -1.350 1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.925 -3.121 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.635 0.480 -0.031 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.363 -3.874 -2.294 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.078 -0.268 -1.811 1.00 0.00 H new ATOM 0 HH TYR A 80 -31.687 -1.786 -3.433 1.00 0.00 H new ATOM 708 N GLU A 81 -38.305 -2.492 2.144 1.00 0.00 N ATOM 709 CA GLU A 81 -39.140 -2.761 3.347 1.00 0.00 C ATOM 710 C GLU A 81 -38.421 -2.229 4.589 1.00 0.00 C ATOM 711 O GLU A 81 -39.040 -1.818 5.550 1.00 0.00 O ATOM 712 CB GLU A 81 -39.362 -4.268 3.491 1.00 0.00 C ATOM 713 CG GLU A 81 -40.345 -4.742 2.419 1.00 0.00 C ATOM 714 CD GLU A 81 -40.534 -6.257 2.534 1.00 0.00 C ATOM 715 OE1 GLU A 81 -39.899 -6.849 3.389 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.311 -6.797 1.764 1.00 0.00 O ATOM 0 H GLU A 81 -37.891 -3.317 1.710 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.104 -2.264 3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -38.415 -4.797 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.751 -4.496 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.303 -4.235 2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -39.970 -4.486 1.428 1.00 0.00 H new ATOM 723 N LYS A 82 -37.115 -2.231 4.573 1.00 0.00 N ATOM 724 CA LYS A 82 -36.352 -1.723 5.748 1.00 0.00 C ATOM 725 C LYS A 82 -35.513 -0.516 5.322 1.00 0.00 C ATOM 726 O LYS A 82 -34.905 -0.510 4.271 1.00 0.00 O ATOM 727 CB LYS A 82 -35.428 -2.824 6.272 1.00 0.00 C ATOM 728 CG LYS A 82 -36.267 -4.007 6.760 1.00 0.00 C ATOM 729 CD LYS A 82 -35.347 -5.072 7.360 1.00 0.00 C ATOM 730 CE LYS A 82 -36.173 -6.301 7.745 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.513 -7.006 8.880 1.00 0.00 N ATOM 0 H LYS A 82 -36.544 -2.563 3.796 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.047 -1.428 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.748 -3.148 5.484 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.813 -2.440 7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -36.988 -3.672 7.506 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -36.837 -4.428 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.576 -5.349 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.836 -4.674 8.237 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.182 -6.001 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.267 -6.972 6.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -36.074 -7.842 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -34.558 -7.305 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -35.446 -6.364 9.695 1.00 0.00 H new ATOM 745 N MET A 83 -35.475 0.508 6.132 1.00 0.00 N ATOM 746 CA MET A 83 -34.675 1.711 5.770 1.00 0.00 C ATOM 747 C MET A 83 -33.199 1.327 5.652 1.00 0.00 C ATOM 748 O MET A 83 -32.432 1.971 4.963 1.00 0.00 O ATOM 749 CB MET A 83 -34.839 2.777 6.856 1.00 0.00 C ATOM 750 CG MET A 83 -36.308 3.199 6.939 1.00 0.00 C ATOM 751 SD MET A 83 -36.469 4.609 8.062 1.00 0.00 S ATOM 752 CE MET A 83 -35.748 5.856 6.966 1.00 0.00 C ATOM 0 H MET A 83 -35.962 0.562 7.026 1.00 0.00 H new ATOM 0 HA MET A 83 -35.024 2.106 4.816 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.507 2.386 7.818 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.214 3.641 6.630 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.677 3.465 5.949 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.917 2.367 7.293 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.202 6.589 7.559 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.066 5.374 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 83 -36.542 6.357 6.412 1.00 0.00 H new ATOM 762 N GLU A 84 -32.793 0.280 6.318 1.00 0.00 N ATOM 763 CA GLU A 84 -31.367 -0.145 6.242 1.00 0.00 C ATOM 764 C GLU A 84 -31.067 -0.681 4.842 1.00 0.00 C ATOM 765 O GLU A 84 -29.958 -0.584 4.354 1.00 0.00 O ATOM 766 CB GLU A 84 -31.107 -1.243 7.275 1.00 0.00 C ATOM 767 CG GLU A 84 -29.603 -1.516 7.360 1.00 0.00 C ATOM 768 CD GLU A 84 -29.348 -2.659 8.345 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.308 -3.157 8.907 1.00 0.00 O ATOM 770 OE2 GLU A 84 -28.194 -3.018 8.518 1.00 0.00 O ATOM 0 H GLU A 84 -33.387 -0.299 6.911 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.722 0.709 6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.488 -0.938 8.250 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.638 -2.153 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.213 -1.776 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.077 -0.618 7.684 1.00 0.00 H new ATOM 777 N SER A 85 -32.046 -1.247 4.191 1.00 0.00 N ATOM 778 CA SER A 85 -31.815 -1.789 2.823 1.00 0.00 C ATOM 779 C SER A 85 -31.574 -0.632 1.851 1.00 0.00 C ATOM 780 O SER A 85 -30.896 -0.778 0.854 1.00 0.00 O ATOM 781 CB SER A 85 -33.043 -2.584 2.375 1.00 0.00 C ATOM 782 OG SER A 85 -33.357 -3.563 3.357 1.00 0.00 O ATOM 0 H SER A 85 -32.995 -1.357 4.547 1.00 0.00 H new ATOM 0 HA SER A 85 -30.943 -2.443 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.890 -1.914 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.849 -3.064 1.416 1.00 0.00 H new ATOM 0 HG SER A 85 -34.145 -4.072 3.072 1.00 0.00 H new ATOM 788 N ALA A 86 -32.125 0.517 2.133 1.00 0.00 N ATOM 789 CA ALA A 86 -31.927 1.681 1.224 1.00 0.00 C ATOM 790 C ALA A 86 -30.553 2.303 1.479 1.00 0.00 C ATOM 791 O ALA A 86 -29.873 2.726 0.565 1.00 0.00 O ATOM 792 CB ALA A 86 -33.016 2.723 1.486 1.00 0.00 C ATOM 0 H ALA A 86 -32.703 0.700 2.953 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.985 1.346 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.872 3.575 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.995 2.280 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.958 3.057 2.522 1.00 0.00 H new ATOM 798 N ASP A 87 -30.138 2.363 2.716 1.00 0.00 N ATOM 799 CA ASP A 87 -28.809 2.960 3.026 1.00 0.00 C ATOM 800 C ASP A 87 -27.701 2.018 2.550 1.00 0.00 C ATOM 801 O ASP A 87 -26.655 2.447 2.106 1.00 0.00 O ATOM 802 CB ASP A 87 -28.683 3.169 4.537 1.00 0.00 C ATOM 803 CG ASP A 87 -27.391 3.929 4.841 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.755 4.379 3.902 1.00 0.00 O ATOM 805 OD2 ASP A 87 -27.058 4.048 6.009 1.00 0.00 O ATOM 0 H ASP A 87 -30.662 2.025 3.523 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.715 3.919 2.516 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.542 3.727 4.911 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.680 2.207 5.049 1.00 0.00 H new ATOM 810 N GLN A 88 -27.925 0.736 2.641 1.00 0.00 N ATOM 811 CA GLN A 88 -26.887 -0.234 2.194 1.00 0.00 C ATOM 812 C GLN A 88 -26.837 -0.264 0.666 1.00 0.00 C ATOM 813 O GLN A 88 -25.791 -0.424 0.071 1.00 0.00 O ATOM 814 CB GLN A 88 -27.230 -1.630 2.720 1.00 0.00 C ATOM 815 CG GLN A 88 -26.098 -2.598 2.371 1.00 0.00 C ATOM 816 CD GLN A 88 -26.453 -4.002 2.866 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.444 -4.188 3.545 1.00 0.00 O ATOM 818 NE2 GLN A 88 -25.679 -5.006 2.554 1.00 0.00 N ATOM 0 H GLN A 88 -28.781 0.319 3.005 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.916 0.072 2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.376 -1.598 3.800 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.166 -1.975 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.937 -2.611 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.167 -2.265 2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -24.847 -4.851 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -25.906 -5.945 2.880 1.00 0.00 H new ATOM 827 N ALA A 89 -27.963 -0.110 0.026 1.00 0.00 N ATOM 828 CA ALA A 89 -27.982 -0.130 -1.464 1.00 0.00 C ATOM 829 C ALA A 89 -27.545 1.236 -1.998 1.00 0.00 C ATOM 830 O ALA A 89 -27.026 1.349 -3.090 1.00 0.00 O ATOM 831 CB ALA A 89 -29.398 -0.439 -1.952 1.00 0.00 C ATOM 0 H ALA A 89 -28.871 0.029 0.470 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.298 -0.897 -1.826 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.412 -0.454 -3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.710 -1.412 -1.572 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.083 0.328 -1.591 1.00 0.00 H new ATOM 837 N VAL A 90 -27.755 2.274 -1.235 1.00 0.00 N ATOM 838 CA VAL A 90 -27.356 3.633 -1.697 1.00 0.00 C ATOM 839 C VAL A 90 -25.834 3.772 -1.632 1.00 0.00 C ATOM 840 O VAL A 90 -25.217 4.353 -2.503 1.00 0.00 O ATOM 841 CB VAL A 90 -28.002 4.685 -0.793 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.413 6.061 -1.107 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.513 4.710 -1.037 1.00 0.00 C ATOM 0 H VAL A 90 -28.186 2.239 -0.311 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.688 3.779 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.806 4.436 0.250 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.874 6.810 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.337 6.045 -0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.608 6.311 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.973 5.459 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.709 4.958 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.934 3.730 -0.812 1.00 0.00 H new ATOM 853 N ALA A 91 -25.223 3.246 -0.606 1.00 0.00 N ATOM 854 CA ALA A 91 -23.742 3.351 -0.488 1.00 0.00 C ATOM 855 C ALA A 91 -23.078 2.334 -1.418 1.00 0.00 C ATOM 856 O ALA A 91 -22.042 2.592 -1.999 1.00 0.00 O ATOM 857 CB ALA A 91 -23.324 3.069 0.957 1.00 0.00 C ATOM 0 H ALA A 91 -25.685 2.748 0.155 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.428 4.356 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.240 3.146 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.793 3.796 1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.640 2.064 1.238 1.00 0.00 H new ATOM 863 N GLU A 92 -23.666 1.178 -1.567 1.00 0.00 N ATOM 864 CA GLU A 92 -23.066 0.147 -2.459 1.00 0.00 C ATOM 865 C GLU A 92 -23.344 0.510 -3.920 1.00 0.00 C ATOM 866 O GLU A 92 -22.479 0.417 -4.767 1.00 0.00 O ATOM 867 CB GLU A 92 -23.679 -1.220 -2.146 1.00 0.00 C ATOM 868 CG GLU A 92 -23.142 -1.726 -0.806 1.00 0.00 C ATOM 869 CD GLU A 92 -21.613 -1.760 -0.850 1.00 0.00 C ATOM 870 OE1 GLU A 92 -21.071 -1.771 -1.943 1.00 0.00 O ATOM 871 OE2 GLU A 92 -21.009 -1.775 0.210 1.00 0.00 O ATOM 0 H GLU A 92 -24.535 0.904 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.989 0.108 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.766 -1.143 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.437 -1.929 -2.938 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.479 -1.076 0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.533 -2.722 -0.598 1.00 0.00 H new ATOM 878 N LEU A 93 -24.545 0.921 -4.220 1.00 0.00 N ATOM 879 CA LEU A 93 -24.875 1.289 -5.626 1.00 0.00 C ATOM 880 C LEU A 93 -24.202 2.617 -5.978 1.00 0.00 C ATOM 881 O LEU A 93 -23.679 2.792 -7.062 1.00 0.00 O ATOM 882 CB LEU A 93 -26.391 1.428 -5.776 1.00 0.00 C ATOM 883 CG LEU A 93 -27.049 0.060 -5.587 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.518 0.139 -6.007 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.328 -0.978 -6.448 1.00 0.00 C ATOM 0 H LEU A 93 -25.311 1.018 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.515 0.511 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.777 2.134 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.635 1.828 -6.760 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.985 -0.231 -4.539 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.988 -0.835 -5.873 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.033 0.878 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.582 0.431 -7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.797 -1.952 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.391 -0.688 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.281 -1.035 -6.149 1.00 0.00 H new ATOM 897 N ASN A 94 -24.210 3.556 -5.073 1.00 0.00 N ATOM 898 CA ASN A 94 -23.571 4.871 -5.356 1.00 0.00 C ATOM 899 C ASN A 94 -22.085 4.662 -5.656 1.00 0.00 C ATOM 900 O ASN A 94 -21.369 4.047 -4.890 1.00 0.00 O ATOM 901 CB ASN A 94 -23.722 5.785 -4.138 1.00 0.00 C ATOM 902 CG ASN A 94 -23.058 7.133 -4.426 1.00 0.00 C ATOM 903 OD1 ASN A 94 -22.776 7.454 -5.563 1.00 0.00 O ATOM 904 ND2 ASN A 94 -22.796 7.943 -3.437 1.00 0.00 N ATOM 0 H ASN A 94 -24.632 3.469 -4.149 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.054 5.332 -6.218 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.777 5.929 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.265 5.322 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.355 8.844 -3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.032 7.675 -2.482 1.00 0.00 H new ATOM 911 N GLY A 95 -21.617 5.167 -6.763 1.00 0.00 N ATOM 912 CA GLY A 95 -20.178 4.997 -7.109 1.00 0.00 C ATOM 913 C GLY A 95 -19.965 3.627 -7.756 1.00 0.00 C ATOM 914 O GLY A 95 -19.026 2.922 -7.444 1.00 0.00 O ATOM 0 H GLY A 95 -22.168 5.690 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.862 5.786 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.565 5.086 -6.212 1.00 0.00 H new ATOM 918 N THR A 96 -20.829 3.243 -8.654 1.00 0.00 N ATOM 919 CA THR A 96 -20.674 1.920 -9.321 1.00 0.00 C ATOM 920 C THR A 96 -20.810 2.093 -10.834 1.00 0.00 C ATOM 921 O THR A 96 -21.341 3.077 -11.310 1.00 0.00 O ATOM 922 CB THR A 96 -21.756 0.963 -8.814 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.033 1.565 -8.981 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.521 0.663 -7.333 1.00 0.00 C ATOM 0 H THR A 96 -21.636 3.789 -8.955 1.00 0.00 H new ATOM 0 HA THR A 96 -19.691 1.509 -9.091 1.00 0.00 H new ATOM 0 HB THR A 96 -21.715 0.033 -9.381 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.490 1.607 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.292 -0.018 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.541 0.202 -7.206 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.562 1.591 -6.763 1.00 0.00 H new ATOM 932 N GLN A 97 -20.333 1.147 -11.595 1.00 0.00 N ATOM 933 CA GLN A 97 -20.434 1.262 -13.077 1.00 0.00 C ATOM 934 C GLN A 97 -21.139 0.026 -13.639 1.00 0.00 C ATOM 935 O GLN A 97 -21.043 -1.057 -13.098 1.00 0.00 O ATOM 936 CB GLN A 97 -19.030 1.366 -13.675 1.00 0.00 C ATOM 937 CG GLN A 97 -19.133 1.583 -15.187 1.00 0.00 C ATOM 938 CD GLN A 97 -17.729 1.729 -15.778 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.758 1.812 -15.053 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.580 1.763 -17.073 1.00 0.00 N ATOM 0 H GLN A 97 -19.878 0.300 -11.255 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.006 2.153 -13.335 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.488 2.192 -13.215 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.466 0.457 -13.465 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.649 0.743 -15.651 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.723 2.475 -15.398 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.395 1.693 -17.682 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.648 1.859 -17.477 1.00 0.00 H new ATOM 949 N VAL A 98 -21.848 0.181 -14.724 1.00 0.00 N ATOM 950 CA VAL A 98 -22.561 -0.984 -15.326 1.00 0.00 C ATOM 951 C VAL A 98 -21.720 -1.547 -16.471 1.00 0.00 C ATOM 952 O VAL A 98 -20.548 -1.254 -16.595 1.00 0.00 O ATOM 953 CB VAL A 98 -23.924 -0.543 -15.881 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.999 -1.534 -15.430 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.281 0.857 -15.373 1.00 0.00 C ATOM 0 H VAL A 98 -21.965 1.064 -15.221 1.00 0.00 H new ATOM 0 HA VAL A 98 -22.714 -1.743 -14.558 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.871 -0.520 -16.969 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.967 -1.224 -15.822 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -24.757 -2.529 -15.805 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -25.039 -1.557 -14.341 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.249 1.154 -15.776 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.328 0.848 -14.284 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.520 1.567 -15.697 1.00 0.00 H new ATOM 965 N GLU A 99 -22.310 -2.345 -17.319 1.00 0.00 N ATOM 966 CA GLU A 99 -21.541 -2.908 -18.461 1.00 0.00 C ATOM 967 C GLU A 99 -20.758 -1.776 -19.126 1.00 0.00 C ATOM 968 O GLU A 99 -19.732 -1.988 -19.739 1.00 0.00 O ATOM 969 CB GLU A 99 -22.505 -3.530 -19.473 1.00 0.00 C ATOM 970 CG GLU A 99 -21.709 -4.166 -20.613 1.00 0.00 C ATOM 971 CD GLU A 99 -21.029 -5.441 -20.111 1.00 0.00 C ATOM 972 OE1 GLU A 99 -21.519 -6.012 -19.151 1.00 0.00 O ATOM 973 OE2 GLU A 99 -20.029 -5.824 -20.695 1.00 0.00 O ATOM 0 H GLU A 99 -23.288 -2.630 -17.269 1.00 0.00 H new ATOM 0 HA GLU A 99 -20.855 -3.677 -18.106 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.126 -4.282 -18.985 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -23.178 -2.768 -19.866 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.371 -4.398 -21.447 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -20.962 -3.465 -20.985 1.00 0.00 H new ATOM 980 N SER A 100 -21.240 -0.568 -18.998 1.00 0.00 N ATOM 981 CA SER A 100 -20.533 0.590 -19.610 1.00 0.00 C ATOM 982 C SER A 100 -21.307 1.875 -19.305 1.00 0.00 C ATOM 983 O SER A 100 -21.389 2.770 -20.122 1.00 0.00 O ATOM 984 CB SER A 100 -20.438 0.393 -21.124 1.00 0.00 C ATOM 985 OG SER A 100 -19.727 1.480 -21.700 1.00 0.00 O ATOM 0 H SER A 100 -22.096 -0.335 -18.494 1.00 0.00 H new ATOM 0 HA SER A 100 -19.528 0.664 -19.195 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.932 -0.546 -21.348 1.00 0.00 H new ATOM 0 HB3 SER A 100 -21.437 0.328 -21.556 1.00 0.00 H new ATOM 0 HG SER A 100 -20.061 2.323 -21.328 1.00 0.00 H new ATOM 991 N VAL A 101 -21.876 1.972 -18.133 1.00 0.00 N ATOM 992 CA VAL A 101 -22.644 3.197 -17.774 1.00 0.00 C ATOM 993 C VAL A 101 -22.407 3.539 -16.301 1.00 0.00 C ATOM 994 O VAL A 101 -21.926 2.727 -15.535 1.00 0.00 O ATOM 995 CB VAL A 101 -24.137 2.944 -18.003 1.00 0.00 C ATOM 996 CG1 VAL A 101 -24.952 4.070 -17.364 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.422 2.899 -19.506 1.00 0.00 C ATOM 0 H VAL A 101 -21.841 1.254 -17.409 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.313 4.028 -18.396 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.416 1.993 -17.550 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.014 3.888 -17.528 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.750 4.103 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.673 5.022 -17.815 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.484 2.719 -19.670 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.141 3.850 -19.958 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.843 2.096 -19.962 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.744 4.733 -15.900 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.545 5.129 -14.476 1.00 0.00 C ATOM 1009 C GLN A 102 -23.907 5.408 -13.838 1.00 0.00 C ATOM 1010 O GLN A 102 -24.747 6.075 -14.411 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.683 6.392 -14.412 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.291 6.089 -14.971 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.422 7.345 -14.884 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -19.927 8.437 -14.708 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.126 7.237 -15.001 1.00 0.00 N ATOM 0 H GLN A 102 -23.149 5.454 -16.497 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.045 4.324 -13.938 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.150 7.193 -14.985 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.605 6.740 -13.382 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.831 5.276 -14.409 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.367 5.758 -16.007 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.702 6.321 -15.149 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.538 8.068 -14.945 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.138 4.900 -12.658 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.450 5.136 -11.991 1.00 0.00 C ATOM 1026 C LEU A 103 -25.271 6.122 -10.837 1.00 0.00 C ATOM 1027 O LEU A 103 -24.187 6.291 -10.312 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.990 3.810 -11.449 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.495 3.934 -11.206 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.209 2.724 -11.812 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.768 3.986 -9.702 1.00 0.00 C ATOM 0 H LEU A 103 -23.476 4.333 -12.128 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.154 5.550 -12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.790 3.007 -12.158 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.481 3.550 -10.521 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.864 4.847 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.282 2.811 -11.640 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.015 2.687 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.839 1.811 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.841 4.074 -9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.399 3.074 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.259 4.847 -9.269 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.327 6.773 -10.434 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.222 7.747 -9.311 1.00 0.00 C ATOM 1045 C LYS A 104 -27.363 7.502 -8.322 1.00 0.00 C ATOM 1046 O LYS A 104 -28.505 7.336 -8.706 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.317 9.172 -9.860 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.083 9.471 -10.713 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.183 10.891 -11.274 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.138 11.078 -12.376 1.00 0.00 C ATOM 1051 NZ LYS A 104 -24.806 11.578 -13.611 1.00 0.00 N ATOM 0 H LYS A 104 -27.260 6.672 -10.834 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.266 7.619 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.222 9.284 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.387 9.886 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.179 9.369 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.008 8.751 -11.528 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.182 11.067 -11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -25.024 11.620 -10.479 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.373 11.784 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -23.634 10.133 -12.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -24.097 11.706 -14.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -25.520 10.889 -13.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -25.267 12.489 -13.412 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.065 7.472 -7.052 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.135 7.231 -6.043 1.00 0.00 C ATOM 1067 C VAL A 105 -28.352 8.494 -5.208 1.00 0.00 C ATOM 1068 O VAL A 105 -27.416 9.172 -4.832 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.720 6.080 -5.126 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -28.827 5.817 -4.102 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.488 4.820 -5.962 1.00 0.00 C ATOM 0 H VAL A 105 -26.129 7.604 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.062 6.974 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.800 6.345 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.531 4.996 -3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -28.992 6.714 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.748 5.553 -4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.192 3.999 -5.309 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.408 4.555 -6.484 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.699 5.007 -6.690 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.582 8.812 -4.910 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.864 10.027 -4.094 1.00 0.00 C ATOM 1083 C ASN A 106 -31.022 9.732 -3.138 1.00 0.00 C ATOM 1084 O ASN A 106 -31.753 8.777 -3.310 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.244 11.188 -5.016 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.213 11.305 -6.141 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.556 11.233 -7.303 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.955 11.484 -5.841 1.00 0.00 N ATOM 0 H ASN A 106 -30.405 8.282 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.976 10.298 -3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.237 11.024 -5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.286 12.118 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.260 11.563 -6.583 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.667 11.544 -4.864 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.194 10.541 -2.128 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.302 10.300 -1.162 1.00 0.00 C ATOM 1097 C ILE A 107 -33.448 11.278 -1.436 1.00 0.00 C ATOM 1098 O ILE A 107 -33.240 12.464 -1.598 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.781 10.500 0.264 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -32.777 9.901 1.260 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -31.613 11.995 0.548 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -32.085 9.687 2.607 1.00 0.00 C ATOM 0 H ILE A 107 -30.615 11.358 -1.931 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.670 9.280 -1.276 1.00 0.00 H new ATOM 0 HB ILE A 107 -30.817 10.003 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -33.632 10.566 1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -33.161 8.954 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -31.242 12.133 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -30.902 12.422 -0.159 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -32.575 12.496 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -32.794 9.260 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.244 9.005 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -31.723 10.643 2.986 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.657 10.788 -1.485 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.815 11.690 -1.745 1.00 0.00 C ATOM 1116 C ALA A 108 -35.922 12.717 -0.616 1.00 0.00 C ATOM 1117 O ALA A 108 -35.599 12.437 0.522 1.00 0.00 O ATOM 1118 CB ALA A 108 -37.101 10.863 -1.806 1.00 0.00 C ATOM 0 H ALA A 108 -34.893 9.804 -1.356 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.670 12.206 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.948 11.522 -1.996 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -37.024 10.130 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.248 10.348 -0.857 1.00 0.00 H new