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 USER MOD Set 1.2: A 79 THR OG1 : rot 81:sc= 0.952 USER MOD Set 2.1: A 43 TYR OH : rot 165:sc= -1.23 USER MOD Set 2.2: A 75 CYS SG : rot 180:sc= -2.47 USER MOD Single : A 40 ASN : amide:sc= -0.967 K(o=-0.97,f=-2.3!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -155:sc= -1.25 (180deg=-4.47!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.426 X(o=-0.43,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 136:sc= -4.27! (180deg=-5.2!) USER MOD Single : A 74 ASN : amide:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 80 TYR OH : rot -20:sc= -5! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -153:sc= -0.281 (180deg=-1.82!) 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= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 96 THR OG1 : rot -58:sc= 1.13 USER MOD Single : A 97 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.021) USER MOD Single : A 100 SER OG : rot 58:sc= 1.2 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -2.7! C(o=-2.7!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.608 3.923 2.268 1.00 0.00 N ATOM 79 CA ASN A 40 -38.280 4.545 2.003 1.00 0.00 C ATOM 80 C ASN A 40 -37.972 4.471 0.506 1.00 0.00 C ATOM 81 O ASN A 40 -37.408 3.508 0.026 1.00 0.00 O ATOM 82 CB ASN A 40 -37.199 3.793 2.785 1.00 0.00 C ATOM 83 CG ASN A 40 -35.924 4.638 2.834 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.959 5.826 2.588 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.791 4.069 3.147 1.00 0.00 N ATOM 0 HA ASN A 40 -38.297 5.588 2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.547 3.582 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.994 2.833 2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.935 4.623 3.185 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.762 3.071 3.354 1.00 0.00 H new ATOM 92 N THR A 41 -38.340 5.480 -0.235 1.00 0.00 N ATOM 93 CA THR A 41 -38.072 5.467 -1.701 1.00 0.00 C ATOM 94 C THR A 41 -36.672 6.023 -1.972 1.00 0.00 C ATOM 95 O THR A 41 -36.247 6.984 -1.363 1.00 0.00 O ATOM 96 CB THR A 41 -39.112 6.332 -2.417 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.415 5.869 -2.092 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.899 6.245 -3.929 1.00 0.00 C ATOM 0 H THR A 41 -38.815 6.313 0.112 1.00 0.00 H new ATOM 0 HA THR A 41 -38.132 4.444 -2.071 1.00 0.00 H new ATOM 0 HB THR A 41 -39.004 7.369 -2.098 1.00 0.00 H new ATOM 0 HG1 THR A 41 -41.082 6.423 -2.548 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.641 6.862 -4.437 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.899 6.602 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.005 5.210 -4.252 1.00 0.00 H new ATOM 106 N LEU A 42 -35.954 5.426 -2.884 1.00 0.00 N ATOM 107 CA LEU A 42 -34.583 5.920 -3.199 1.00 0.00 C ATOM 108 C LEU A 42 -34.575 6.538 -4.599 1.00 0.00 C ATOM 109 O LEU A 42 -35.093 5.969 -5.539 1.00 0.00 O ATOM 110 CB LEU A 42 -33.597 4.752 -3.153 1.00 0.00 C ATOM 111 CG LEU A 42 -33.605 4.132 -1.755 1.00 0.00 C ATOM 112 CD1 LEU A 42 -34.628 2.996 -1.706 1.00 0.00 C ATOM 113 CD2 LEU A 42 -32.215 3.581 -1.434 1.00 0.00 C ATOM 0 H LEU A 42 -36.258 4.617 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.290 6.672 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.870 4.003 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.594 5.099 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 42 -33.873 4.893 -1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -34.634 2.554 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -35.619 3.389 -1.934 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -34.362 2.235 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -32.220 3.139 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.947 2.820 -2.167 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.486 4.391 -1.468 1.00 0.00 H new ATOM 125 N TYR A 43 -33.991 7.694 -4.747 1.00 0.00 N ATOM 126 CA TYR A 43 -33.954 8.340 -6.090 1.00 0.00 C ATOM 127 C TYR A 43 -32.715 7.865 -6.851 1.00 0.00 C ATOM 128 O TYR A 43 -31.599 8.211 -6.518 1.00 0.00 O ATOM 129 CB TYR A 43 -33.902 9.861 -5.927 1.00 0.00 C ATOM 130 CG TYR A 43 -33.851 10.510 -7.289 1.00 0.00 C ATOM 131 CD1 TYR A 43 -35.039 10.849 -7.948 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.616 10.771 -7.894 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.991 11.449 -9.213 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.568 11.372 -9.157 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.756 11.710 -9.818 1.00 0.00 C ATOM 136 OH TYR A 43 -33.708 12.301 -11.063 1.00 0.00 O ATOM 0 H TYR A 43 -33.539 8.219 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.850 8.067 -6.648 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.777 10.209 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -33.026 10.146 -5.343 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.992 10.648 -7.481 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.700 10.508 -7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.907 11.710 -9.722 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.615 11.575 -9.622 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.801 12.629 -11.235 1.00 0.00 H new ATOM 146 N VAL A 44 -32.902 7.073 -7.871 1.00 0.00 N ATOM 147 CA VAL A 44 -31.735 6.574 -8.651 1.00 0.00 C ATOM 148 C VAL A 44 -31.646 7.330 -9.979 1.00 0.00 C ATOM 149 O VAL A 44 -32.622 7.474 -10.689 1.00 0.00 O ATOM 150 CB VAL A 44 -31.911 5.079 -8.928 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.719 4.567 -9.740 1.00 0.00 C ATOM 152 CG2 VAL A 44 -31.988 4.321 -7.602 1.00 0.00 C ATOM 0 H VAL A 44 -33.813 6.750 -8.198 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.821 6.735 -8.080 1.00 0.00 H new ATOM 0 HB VAL A 44 -32.830 4.919 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -30.844 3.502 -9.938 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.663 5.107 -10.685 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -29.800 4.726 -9.177 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.113 3.256 -7.798 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.069 4.480 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.837 4.686 -7.023 1.00 0.00 H new ATOM 162 N TYR A 45 -30.484 7.814 -10.321 1.00 0.00 N ATOM 163 CA TYR A 45 -30.335 8.557 -11.605 1.00 0.00 C ATOM 164 C TYR A 45 -29.355 7.814 -12.513 1.00 0.00 C ATOM 165 O TYR A 45 -28.395 7.226 -12.059 1.00 0.00 O ATOM 166 CB TYR A 45 -29.802 9.963 -11.324 1.00 0.00 C ATOM 167 CG TYR A 45 -29.804 10.764 -12.605 1.00 0.00 C ATOM 168 CD1 TYR A 45 -31.004 11.291 -13.098 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.607 10.975 -13.299 1.00 0.00 C ATOM 170 CE1 TYR A 45 -31.006 12.032 -14.286 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.610 11.716 -14.487 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.809 12.245 -14.981 1.00 0.00 C ATOM 173 OH TYR A 45 -29.811 12.974 -16.152 1.00 0.00 O ATOM 0 H TYR A 45 -29.631 7.728 -9.768 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.305 8.628 -12.097 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.420 10.455 -10.573 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.792 9.907 -10.918 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.927 11.126 -12.562 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.682 10.567 -12.919 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.931 12.439 -14.667 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.687 11.880 -15.023 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.899 13.028 -16.505 1.00 0.00 H new ATOM 183 N GLY A 46 -29.590 7.836 -13.797 1.00 0.00 N ATOM 184 CA GLY A 46 -28.672 7.130 -14.734 1.00 0.00 C ATOM 185 C GLY A 46 -29.266 7.155 -16.143 1.00 0.00 C ATOM 186 O GLY A 46 -30.370 7.619 -16.353 1.00 0.00 O ATOM 0 H GLY A 46 -30.378 8.312 -14.237 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.693 7.609 -14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.524 6.100 -14.408 1.00 0.00 H new ATOM 190 N GLU A 47 -28.546 6.660 -17.111 1.00 0.00 N ATOM 191 CA GLU A 47 -29.073 6.657 -18.505 1.00 0.00 C ATOM 192 C GLU A 47 -29.204 5.213 -18.996 1.00 0.00 C ATOM 193 O GLU A 47 -28.589 4.309 -18.465 1.00 0.00 O ATOM 194 CB GLU A 47 -28.111 7.421 -19.416 1.00 0.00 C ATOM 195 CG GLU A 47 -28.043 8.884 -18.973 1.00 0.00 C ATOM 196 CD GLU A 47 -27.192 9.679 -19.966 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.578 9.059 -20.818 1.00 0.00 O ATOM 198 OE2 GLU A 47 -27.170 10.893 -19.856 1.00 0.00 O ATOM 0 H GLU A 47 -27.616 6.257 -16.998 1.00 0.00 H new ATOM 0 HA GLU A 47 -30.051 7.138 -18.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.119 6.971 -19.375 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.446 7.359 -20.451 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -29.047 9.306 -18.919 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.614 8.953 -17.973 1.00 0.00 H new ATOM 205 N ASP A 48 -30.000 4.990 -20.004 1.00 0.00 N ATOM 206 CA ASP A 48 -30.169 3.605 -20.526 1.00 0.00 C ATOM 207 C ASP A 48 -30.363 2.641 -19.353 1.00 0.00 C ATOM 208 O ASP A 48 -29.635 1.680 -19.199 1.00 0.00 O ATOM 209 CB ASP A 48 -28.922 3.200 -21.316 1.00 0.00 C ATOM 210 CG ASP A 48 -28.766 4.119 -22.529 1.00 0.00 C ATOM 211 OD1 ASP A 48 -29.740 4.756 -22.894 1.00 0.00 O ATOM 212 OD2 ASP A 48 -27.675 4.169 -23.072 1.00 0.00 O ATOM 0 H ASP A 48 -30.541 5.706 -20.489 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.041 3.567 -21.179 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.039 3.266 -20.681 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.005 2.163 -21.640 1.00 0.00 H new ATOM 217 N MET A 49 -31.340 2.890 -18.524 1.00 0.00 N ATOM 218 CA MET A 49 -31.578 1.990 -17.362 1.00 0.00 C ATOM 219 C MET A 49 -32.922 1.278 -17.532 1.00 0.00 C ATOM 220 O MET A 49 -33.878 1.844 -18.023 1.00 0.00 O ATOM 221 CB MET A 49 -31.599 2.816 -16.074 1.00 0.00 C ATOM 222 CG MET A 49 -30.207 3.399 -15.819 1.00 0.00 C ATOM 223 SD MET A 49 -30.177 4.203 -14.198 1.00 0.00 S ATOM 224 CE MET A 49 -31.546 5.351 -14.489 1.00 0.00 C ATOM 0 H MET A 49 -31.983 3.678 -18.602 1.00 0.00 H new ATOM 0 HA MET A 49 -30.780 1.250 -17.308 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.332 3.619 -16.156 1.00 0.00 H new ATOM 0 HB3 MET A 49 -31.903 2.192 -15.234 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.457 2.609 -15.859 1.00 0.00 H new ATOM 0 HG3 MET A 49 -29.954 4.118 -16.598 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.437 6.220 -13.840 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.536 5.673 -15.530 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.491 4.853 -14.273 1.00 0.00 H new ATOM 234 N THR A 50 -33.001 0.038 -17.131 1.00 0.00 N ATOM 235 CA THR A 50 -34.282 -0.711 -17.268 1.00 0.00 C ATOM 236 C THR A 50 -34.768 -1.142 -15.882 1.00 0.00 C ATOM 237 O THR A 50 -34.026 -1.118 -14.921 1.00 0.00 O ATOM 238 CB THR A 50 -34.054 -1.951 -18.139 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.785 -2.512 -17.837 1.00 0.00 O ATOM 240 CG2 THR A 50 -34.102 -1.555 -19.616 1.00 0.00 C ATOM 0 H THR A 50 -32.233 -0.489 -16.714 1.00 0.00 H new ATOM 0 HA THR A 50 -35.032 -0.072 -17.734 1.00 0.00 H new ATOM 0 HB THR A 50 -34.833 -2.686 -17.938 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.638 -3.306 -18.392 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.940 -2.438 -20.235 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.077 -1.125 -19.846 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.324 -0.820 -19.821 1.00 0.00 H new ATOM 248 N PRO A 51 -36.044 -1.546 -15.782 1.00 0.00 N ATOM 249 CA PRO A 51 -36.638 -1.986 -14.512 1.00 0.00 C ATOM 250 C PRO A 51 -36.047 -3.318 -14.039 1.00 0.00 C ATOM 251 O PRO A 51 -35.570 -3.435 -12.928 1.00 0.00 O ATOM 252 CB PRO A 51 -38.118 -2.157 -14.849 1.00 0.00 C ATOM 253 CG PRO A 51 -38.141 -2.408 -16.320 1.00 0.00 C ATOM 254 CD PRO A 51 -37.008 -1.607 -16.895 1.00 0.00 C ATOM 0 HA PRO A 51 -36.452 -1.277 -13.705 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.557 -2.989 -14.298 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.689 -1.266 -14.590 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.018 -3.469 -16.537 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.094 -2.103 -16.753 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.579 -2.088 -17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.332 -0.613 -17.202 1.00 0.00 H new ATOM 262 N THR A 52 -36.072 -4.321 -14.873 1.00 0.00 N ATOM 263 CA THR A 52 -35.510 -5.639 -14.467 1.00 0.00 C ATOM 264 C THR A 52 -34.057 -5.457 -14.028 1.00 0.00 C ATOM 265 O THR A 52 -33.602 -6.065 -13.079 1.00 0.00 O ATOM 266 CB THR A 52 -35.569 -6.608 -15.650 1.00 0.00 C ATOM 267 OG1 THR A 52 -36.463 -6.098 -16.630 1.00 0.00 O ATOM 268 CG2 THR A 52 -36.060 -7.974 -15.168 1.00 0.00 C ATOM 0 H THR A 52 -36.457 -4.285 -15.817 1.00 0.00 H new ATOM 0 HA THR A 52 -36.093 -6.044 -13.640 1.00 0.00 H new ATOM 0 HB THR A 52 -34.575 -6.716 -16.085 1.00 0.00 H new ATOM 0 HG1 THR A 52 -36.502 -6.715 -17.390 1.00 0.00 H new ATOM 0 HG21 THR A 52 -36.102 -8.664 -16.011 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.374 -8.362 -14.415 1.00 0.00 H new ATOM 0 HG23 THR A 52 -37.055 -7.871 -14.734 1.00 0.00 H new ATOM 276 N LEU A 53 -33.328 -4.619 -14.709 1.00 0.00 N ATOM 277 CA LEU A 53 -31.904 -4.392 -14.330 1.00 0.00 C ATOM 278 C LEU A 53 -31.848 -3.729 -12.954 1.00 0.00 C ATOM 279 O LEU A 53 -31.108 -4.142 -12.084 1.00 0.00 O ATOM 280 CB LEU A 53 -31.240 -3.479 -15.363 1.00 0.00 C ATOM 281 CG LEU A 53 -29.730 -3.444 -15.116 1.00 0.00 C ATOM 282 CD1 LEU A 53 -29.126 -4.810 -15.448 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.092 -2.375 -16.007 1.00 0.00 C ATOM 0 H LEU A 53 -33.655 -4.081 -15.511 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.378 -5.346 -14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.446 -3.841 -16.370 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.654 -2.473 -15.295 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.539 -3.207 -14.069 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.051 -4.785 -15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.580 -5.572 -14.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.317 -5.048 -16.495 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.017 -2.350 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.283 -2.612 -17.054 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.521 -1.401 -15.771 1.00 0.00 H new ATOM 295 N LEU A 54 -32.633 -2.705 -12.748 1.00 0.00 N ATOM 296 CA LEU A 54 -32.628 -2.020 -11.427 1.00 0.00 C ATOM 297 C LEU A 54 -33.088 -3.000 -10.348 1.00 0.00 C ATOM 298 O LEU A 54 -32.518 -3.072 -9.276 1.00 0.00 O ATOM 299 CB LEU A 54 -33.579 -0.822 -11.469 1.00 0.00 C ATOM 300 CG LEU A 54 -32.942 0.302 -12.290 1.00 0.00 C ATOM 301 CD1 LEU A 54 -33.981 0.883 -13.251 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.444 1.402 -11.350 1.00 0.00 C ATOM 0 H LEU A 54 -33.276 -2.315 -13.438 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.620 -1.673 -11.199 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.532 -1.115 -11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.789 -0.475 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.102 -0.095 -12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.528 1.683 -13.836 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.335 0.100 -13.921 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.821 1.280 -12.682 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.990 2.202 -11.935 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.283 1.800 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.703 0.988 -10.666 1.00 0.00 H new ATOM 314 N ARG A 55 -34.113 -3.762 -10.622 1.00 0.00 N ATOM 315 CA ARG A 55 -34.602 -4.741 -9.612 1.00 0.00 C ATOM 316 C ARG A 55 -33.439 -5.633 -9.175 1.00 0.00 C ATOM 317 O ARG A 55 -33.327 -6.003 -8.024 1.00 0.00 O ATOM 318 CB ARG A 55 -35.704 -5.605 -10.226 1.00 0.00 C ATOM 319 CG ARG A 55 -36.260 -6.555 -9.162 1.00 0.00 C ATOM 320 CD ARG A 55 -37.270 -7.508 -9.804 1.00 0.00 C ATOM 321 NE ARG A 55 -37.971 -8.279 -8.739 1.00 0.00 N ATOM 322 CZ ARG A 55 -37.972 -9.584 -8.772 1.00 0.00 C ATOM 323 NH1 ARG A 55 -39.040 -10.228 -9.157 1.00 0.00 N ATOM 324 NH2 ARG A 55 -36.903 -10.246 -8.419 1.00 0.00 N ATOM 0 H ARG A 55 -34.631 -3.748 -11.500 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.002 -4.208 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.501 -4.973 -10.617 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.308 -6.175 -11.067 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.448 -7.122 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.738 -5.985 -8.365 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.992 -6.945 -10.396 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -36.761 -8.189 -10.486 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.450 -7.787 -7.984 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.875 -9.712 -9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -39.039 -11.248 -9.182 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -36.068 -9.743 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -36.903 -11.266 -8.444 1.00 0.00 H new ATOM 338 N GLY A 56 -32.571 -5.977 -10.086 1.00 0.00 N ATOM 339 CA GLY A 56 -31.412 -6.841 -9.722 1.00 0.00 C ATOM 340 C GLY A 56 -30.385 -6.007 -8.956 1.00 0.00 C ATOM 341 O GLY A 56 -29.646 -6.514 -8.135 1.00 0.00 O ATOM 0 H GLY A 56 -32.614 -5.698 -11.066 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.746 -7.680 -9.111 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.960 -7.261 -10.620 1.00 0.00 H new ATOM 345 N ALA A 57 -30.335 -4.729 -9.216 1.00 0.00 N ATOM 346 CA ALA A 57 -29.358 -3.860 -8.501 1.00 0.00 C ATOM 347 C ALA A 57 -29.906 -3.519 -7.114 1.00 0.00 C ATOM 348 O ALA A 57 -29.196 -3.032 -6.257 1.00 0.00 O ATOM 349 CB ALA A 57 -29.143 -2.571 -9.297 1.00 0.00 C ATOM 0 H ALA A 57 -30.929 -4.249 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.408 -4.385 -8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.428 -1.935 -8.774 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.756 -2.815 -10.286 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.091 -2.044 -9.398 1.00 0.00 H new ATOM 355 N PHE A 58 -31.166 -3.774 -6.888 1.00 0.00 N ATOM 356 CA PHE A 58 -31.765 -3.469 -5.557 1.00 0.00 C ATOM 357 C PHE A 58 -32.462 -4.721 -5.014 1.00 0.00 C ATOM 358 O PHE A 58 -33.002 -4.720 -3.926 1.00 0.00 O ATOM 359 CB PHE A 58 -32.787 -2.342 -5.705 1.00 0.00 C ATOM 360 CG PHE A 58 -32.073 -1.045 -6.006 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.557 -0.810 -7.286 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.929 -0.076 -5.004 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.896 0.392 -7.565 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.268 1.126 -5.283 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.751 1.360 -6.563 1.00 0.00 C ATOM 0 H PHE A 58 -31.808 -4.181 -7.569 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.980 -3.160 -4.866 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.488 -2.577 -6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.370 -2.244 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.669 -1.556 -8.059 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.328 -0.257 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.498 0.573 -8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.157 1.873 -4.511 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.240 2.287 -6.778 1.00 0.00 H new ATOM 375 N SER A 59 -32.457 -5.788 -5.766 1.00 0.00 N ATOM 376 CA SER A 59 -33.121 -7.038 -5.300 1.00 0.00 C ATOM 377 C SER A 59 -32.328 -7.654 -4.142 1.00 0.00 C ATOM 378 O SER A 59 -32.866 -7.909 -3.083 1.00 0.00 O ATOM 379 CB SER A 59 -33.190 -8.038 -6.456 1.00 0.00 C ATOM 380 OG SER A 59 -33.025 -9.356 -5.953 1.00 0.00 O ATOM 0 H SER A 59 -32.020 -5.848 -6.686 1.00 0.00 H new ATOM 0 HA SER A 59 -34.128 -6.800 -4.957 1.00 0.00 H new ATOM 0 HB2 SER A 59 -34.147 -7.951 -6.970 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.414 -7.817 -7.189 1.00 0.00 H new ATOM 0 HG SER A 59 -33.071 -9.997 -6.693 1.00 0.00 H new ATOM 386 N PRO A 60 -31.024 -7.907 -4.350 1.00 0.00 N ATOM 387 CA PRO A 60 -30.162 -8.503 -3.320 1.00 0.00 C ATOM 388 C PRO A 60 -29.950 -7.563 -2.130 1.00 0.00 C ATOM 389 O PRO A 60 -29.638 -7.993 -1.037 1.00 0.00 O ATOM 390 CB PRO A 60 -28.838 -8.733 -4.050 1.00 0.00 C ATOM 391 CG PRO A 60 -28.850 -7.743 -5.163 1.00 0.00 C ATOM 392 CD PRO A 60 -30.284 -7.631 -5.596 1.00 0.00 C ATOM 0 HA PRO A 60 -30.598 -9.410 -2.901 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.987 -8.575 -3.388 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.764 -9.753 -4.427 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.465 -6.778 -4.832 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.217 -8.073 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.511 -6.641 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.528 -8.349 -6.379 1.00 0.00 H new ATOM 400 N PHE A 61 -30.120 -6.285 -2.330 1.00 0.00 N ATOM 401 CA PHE A 61 -29.929 -5.326 -1.206 1.00 0.00 C ATOM 402 C PHE A 61 -31.114 -5.427 -0.242 1.00 0.00 C ATOM 403 O PHE A 61 -31.059 -4.952 0.875 1.00 0.00 O ATOM 404 CB PHE A 61 -29.839 -3.903 -1.759 1.00 0.00 C ATOM 405 CG PHE A 61 -28.473 -3.685 -2.366 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.378 -3.399 -1.542 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.303 -3.769 -3.753 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.112 -3.196 -2.106 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.037 -3.566 -4.317 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.942 -3.279 -3.493 1.00 0.00 C ATOM 0 H PHE A 61 -30.382 -5.864 -3.221 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.008 -5.567 -0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.612 -3.744 -2.510 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.015 -3.180 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.509 -3.335 -0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.148 -3.990 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.267 -2.975 -1.471 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.906 -3.631 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.966 -3.122 -3.928 1.00 0.00 H new ATOM 420 N GLY A 62 -32.186 -6.041 -0.664 1.00 0.00 N ATOM 421 CA GLY A 62 -33.371 -6.171 0.231 1.00 0.00 C ATOM 422 C GLY A 62 -34.636 -6.351 -0.613 1.00 0.00 C ATOM 423 O GLY A 62 -34.592 -6.329 -1.826 1.00 0.00 O ATOM 0 H GLY A 62 -32.292 -6.458 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.243 -7.023 0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.464 -5.285 0.859 1.00 0.00 H new ATOM 427 N ASN A 63 -35.762 -6.530 0.021 1.00 0.00 N ATOM 428 CA ASN A 63 -37.028 -6.713 -0.743 1.00 0.00 C ATOM 429 C ASN A 63 -37.652 -5.345 -1.030 1.00 0.00 C ATOM 430 O ASN A 63 -37.678 -4.474 -0.184 1.00 0.00 O ATOM 431 CB ASN A 63 -38.003 -7.558 0.080 1.00 0.00 C ATOM 432 CG ASN A 63 -37.380 -8.925 0.364 1.00 0.00 C ATOM 433 OD1 ASN A 63 -37.466 -9.427 1.467 1.00 0.00 O ATOM 434 ND2 ASN A 63 -36.751 -9.553 -0.590 1.00 0.00 N ATOM 0 H ASN A 63 -35.860 -6.557 1.036 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.815 -7.220 -1.684 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.238 -7.052 1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.941 -7.680 -0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.332 -10.465 -0.410 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -36.678 -9.132 -1.516 1.00 0.00 H new ATOM 441 N ILE A 64 -38.156 -5.150 -2.218 1.00 0.00 N ATOM 442 CA ILE A 64 -38.777 -3.839 -2.558 1.00 0.00 C ATOM 443 C ILE A 64 -40.301 -3.964 -2.505 1.00 0.00 C ATOM 444 O ILE A 64 -40.880 -4.860 -3.088 1.00 0.00 O ATOM 445 CB ILE A 64 -38.348 -3.422 -3.966 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.821 -3.353 -4.036 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.935 -2.047 -4.291 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.388 -3.124 -5.485 1.00 0.00 C ATOM 0 H ILE A 64 -38.164 -5.842 -2.967 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.451 -3.087 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.712 -4.153 -4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.453 -2.545 -3.403 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.387 -4.278 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.630 -1.749 -5.294 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.023 -2.095 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.571 -1.316 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.300 -3.075 -5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.744 -3.947 -6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.811 -2.187 -5.847 1.00 0.00 H new ATOM 460 N ILE A 65 -40.955 -3.071 -1.813 1.00 0.00 N ATOM 461 CA ILE A 65 -42.441 -3.139 -1.726 1.00 0.00 C ATOM 462 C ILE A 65 -43.056 -2.303 -2.850 1.00 0.00 C ATOM 463 O ILE A 65 -44.208 -2.467 -3.200 1.00 0.00 O ATOM 464 CB ILE A 65 -42.898 -2.588 -0.374 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.677 -1.075 -0.336 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.090 -3.249 0.746 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.326 -0.495 0.921 1.00 0.00 C ATOM 0 H ILE A 65 -40.525 -2.298 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.764 -4.175 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.957 -2.803 -0.235 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.610 -0.853 -0.343 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.105 -0.612 -1.225 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.415 -2.857 1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.248 -4.327 0.721 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.031 -3.034 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.168 0.583 0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.396 -0.705 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.878 -0.949 1.805 1.00 0.00 H new ATOM 479 N ASP A 66 -42.297 -1.407 -3.418 1.00 0.00 N ATOM 480 CA ASP A 66 -42.839 -0.563 -4.520 1.00 0.00 C ATOM 481 C ASP A 66 -41.687 -0.060 -5.392 1.00 0.00 C ATOM 482 O ASP A 66 -40.811 0.647 -4.933 1.00 0.00 O ATOM 483 CB ASP A 66 -43.587 0.632 -3.925 1.00 0.00 C ATOM 484 CG ASP A 66 -44.244 1.433 -5.052 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.199 0.975 -6.182 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.780 2.490 -4.766 1.00 0.00 O ATOM 0 H ASP A 66 -41.326 -1.223 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.523 -1.155 -5.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.344 0.287 -3.220 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -42.897 1.266 -3.368 1.00 0.00 H new ATOM 491 N LEU A 67 -41.682 -0.417 -6.645 1.00 0.00 N ATOM 492 CA LEU A 67 -40.587 0.041 -7.548 1.00 0.00 C ATOM 493 C LEU A 67 -41.180 0.901 -8.666 1.00 0.00 C ATOM 494 O LEU A 67 -42.106 0.503 -9.343 1.00 0.00 O ATOM 495 CB LEU A 67 -39.884 -1.174 -8.154 1.00 0.00 C ATOM 496 CG LEU A 67 -38.669 -0.711 -8.959 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.428 -1.475 -8.491 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.906 -0.985 -10.446 1.00 0.00 C ATOM 0 H LEU A 67 -42.389 -1.007 -7.085 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.866 0.629 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.572 -1.858 -7.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.572 -1.722 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.518 0.358 -8.807 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -36.561 -1.146 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.259 -1.280 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.580 -2.544 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.040 -0.655 -11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.057 -2.054 -10.600 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -39.790 -0.442 -10.780 1.00 0.00 H new ATOM 510 N SER A 68 -40.654 2.079 -8.865 1.00 0.00 N ATOM 511 CA SER A 68 -41.192 2.961 -9.939 1.00 0.00 C ATOM 512 C SER A 68 -40.075 3.302 -10.929 1.00 0.00 C ATOM 513 O SER A 68 -38.910 3.316 -10.586 1.00 0.00 O ATOM 514 CB SER A 68 -41.732 4.250 -9.316 1.00 0.00 C ATOM 515 OG SER A 68 -42.680 3.928 -8.310 1.00 0.00 O ATOM 0 H SER A 68 -39.877 2.468 -8.331 1.00 0.00 H new ATOM 0 HA SER A 68 -41.996 2.445 -10.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.914 4.830 -8.888 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.196 4.871 -10.083 1.00 0.00 H new ATOM 0 HG SER A 68 -43.025 4.753 -7.909 1.00 0.00 H new ATOM 521 N MET A 69 -40.425 3.577 -12.156 1.00 0.00 N ATOM 522 CA MET A 69 -39.386 3.918 -13.168 1.00 0.00 C ATOM 523 C MET A 69 -39.705 5.283 -13.784 1.00 0.00 C ATOM 524 O MET A 69 -40.849 5.615 -14.018 1.00 0.00 O ATOM 525 CB MET A 69 -39.377 2.854 -14.268 1.00 0.00 C ATOM 526 CG MET A 69 -38.873 1.529 -13.692 1.00 0.00 C ATOM 527 SD MET A 69 -37.195 1.750 -13.050 1.00 0.00 S ATOM 528 CE MET A 69 -36.396 2.120 -14.631 1.00 0.00 C ATOM 0 H MET A 69 -41.385 3.580 -12.501 1.00 0.00 H new ATOM 0 HA MET A 69 -38.408 3.953 -12.688 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.380 2.728 -14.675 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.737 3.172 -15.091 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.537 1.190 -12.896 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.880 0.759 -14.463 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.715 2.962 -14.506 1.00 0.00 H new ATOM 0 HE2 MET A 69 -35.837 1.248 -14.969 1.00 0.00 H new ATOM 0 HE3 MET A 69 -37.155 2.374 -15.371 1.00 0.00 H new ATOM 538 N ASP A 70 -38.702 6.075 -14.048 1.00 0.00 N ATOM 539 CA ASP A 70 -38.952 7.417 -14.648 1.00 0.00 C ATOM 540 C ASP A 70 -38.075 7.593 -15.890 1.00 0.00 C ATOM 541 O ASP A 70 -36.971 8.095 -15.812 1.00 0.00 O ATOM 542 CB ASP A 70 -38.611 8.502 -13.625 1.00 0.00 C ATOM 543 CG ASP A 70 -39.889 9.233 -13.210 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.790 8.575 -12.714 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.947 10.438 -13.394 1.00 0.00 O ATOM 0 H ASP A 70 -37.722 5.852 -13.875 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.001 7.499 -14.931 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.135 8.056 -12.752 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.898 9.208 -14.052 1.00 0.00 H new ATOM 550 N PRO A 71 -38.584 7.169 -17.057 1.00 0.00 N ATOM 551 CA PRO A 71 -37.853 7.278 -18.320 1.00 0.00 C ATOM 552 C PRO A 71 -37.803 8.714 -18.884 1.00 0.00 C ATOM 553 O PRO A 71 -36.876 9.056 -19.589 1.00 0.00 O ATOM 554 CB PRO A 71 -38.627 6.362 -19.266 1.00 0.00 C ATOM 555 CG PRO A 71 -40.012 6.295 -18.710 1.00 0.00 C ATOM 556 CD PRO A 71 -39.909 6.545 -17.226 1.00 0.00 C ATOM 0 HA PRO A 71 -36.806 7.003 -18.189 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -38.630 6.758 -20.281 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -38.174 5.372 -19.312 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -40.653 7.040 -19.182 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.459 5.320 -18.906 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.706 7.201 -16.876 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -39.988 5.617 -16.659 1.00 0.00 H new ATOM 564 N PRO A 72 -38.800 9.578 -18.586 1.00 0.00 N ATOM 565 CA PRO A 72 -38.802 10.953 -19.099 1.00 0.00 C ATOM 566 C PRO A 72 -37.803 11.841 -18.351 1.00 0.00 C ATOM 567 O PRO A 72 -37.343 12.841 -18.862 1.00 0.00 O ATOM 568 CB PRO A 72 -40.223 11.440 -18.836 1.00 0.00 C ATOM 569 CG PRO A 72 -40.707 10.619 -17.688 1.00 0.00 C ATOM 570 CD PRO A 72 -39.984 9.300 -17.747 1.00 0.00 C ATOM 0 HA PRO A 72 -38.513 10.992 -20.149 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.238 12.503 -18.595 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.856 11.304 -19.713 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.508 11.124 -16.743 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.785 10.470 -17.749 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.697 8.957 -16.753 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.609 8.521 -18.184 1.00 0.00 H new ATOM 578 N ARG A 73 -37.466 11.482 -17.142 1.00 0.00 N ATOM 579 CA ARG A 73 -36.500 12.305 -16.362 1.00 0.00 C ATOM 580 C ARG A 73 -35.164 11.567 -16.251 1.00 0.00 C ATOM 581 O ARG A 73 -34.217 12.063 -15.676 1.00 0.00 O ATOM 582 CB ARG A 73 -37.060 12.554 -14.960 1.00 0.00 C ATOM 583 CG ARG A 73 -38.364 13.347 -15.065 1.00 0.00 C ATOM 584 CD ARG A 73 -38.917 13.605 -13.662 1.00 0.00 C ATOM 585 NE ARG A 73 -38.010 14.538 -12.934 1.00 0.00 N ATOM 586 CZ ARG A 73 -37.728 15.705 -13.445 1.00 0.00 C ATOM 587 NH1 ARG A 73 -38.595 16.311 -14.211 1.00 0.00 N ATOM 588 NH2 ARG A 73 -36.578 16.268 -13.190 1.00 0.00 N ATOM 0 H ARG A 73 -37.818 10.654 -16.661 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.346 13.257 -16.870 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.239 11.605 -14.454 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.335 13.104 -14.360 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -38.187 14.293 -15.578 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.092 12.794 -15.659 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -39.918 14.031 -13.727 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -39.005 12.666 -13.116 1.00 0.00 H new ATOM 0 HE ARG A 73 -37.610 14.264 -12.037 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -39.494 15.872 -14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -38.373 17.223 -14.610 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -35.900 15.796 -12.592 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -36.357 17.180 -13.589 1.00 0.00 H new ATOM 602 N ASN A 74 -35.081 10.383 -16.796 1.00 0.00 N ATOM 603 CA ASN A 74 -33.804 9.619 -16.717 1.00 0.00 C ATOM 604 C ASN A 74 -33.495 9.292 -15.255 1.00 0.00 C ATOM 605 O ASN A 74 -32.369 9.392 -14.810 1.00 0.00 O ATOM 606 CB ASN A 74 -32.668 10.460 -17.303 1.00 0.00 C ATOM 607 CG ASN A 74 -33.027 10.879 -18.730 1.00 0.00 C ATOM 608 OD1 ASN A 74 -32.812 12.011 -19.116 1.00 0.00 O ATOM 609 ND2 ASN A 74 -33.570 10.008 -19.536 1.00 0.00 N ATOM 0 H ASN A 74 -35.840 9.914 -17.291 1.00 0.00 H new ATOM 0 HA ASN A 74 -33.899 8.693 -17.284 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.498 11.342 -16.685 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.740 9.888 -17.303 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -33.814 10.278 -20.489 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -33.751 9.058 -19.213 1.00 0.00 H new ATOM 616 N CYS A 75 -34.489 8.902 -14.503 1.00 0.00 N ATOM 617 CA CYS A 75 -34.253 8.569 -13.070 1.00 0.00 C ATOM 618 C CYS A 75 -35.207 7.451 -12.644 1.00 0.00 C ATOM 619 O CYS A 75 -36.213 7.205 -13.279 1.00 0.00 O ATOM 620 CB CYS A 75 -34.503 9.810 -12.210 1.00 0.00 C ATOM 621 SG CYS A 75 -36.246 10.283 -12.326 1.00 0.00 S ATOM 0 H CYS A 75 -35.453 8.800 -14.819 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.223 8.238 -12.938 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.239 9.606 -11.172 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.869 10.631 -12.545 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.460 11.336 -11.594 1.00 0.00 H new ATOM 627 N ALA A 76 -34.900 6.772 -11.572 1.00 0.00 N ATOM 628 CA ALA A 76 -35.790 5.670 -11.108 1.00 0.00 C ATOM 629 C ALA A 76 -35.970 5.763 -9.592 1.00 0.00 C ATOM 630 O ALA A 76 -35.182 6.375 -8.899 1.00 0.00 O ATOM 631 CB ALA A 76 -35.163 4.322 -11.465 1.00 0.00 C ATOM 0 H ALA A 76 -34.072 6.933 -10.998 1.00 0.00 H new ATOM 0 HA ALA A 76 -36.761 5.759 -11.595 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -35.814 3.517 -11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.036 4.255 -12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.192 4.232 -10.979 1.00 0.00 H new ATOM 637 N PHE A 77 -37.002 5.158 -9.070 1.00 0.00 N ATOM 638 CA PHE A 77 -37.232 5.211 -7.600 1.00 0.00 C ATOM 639 C PHE A 77 -37.238 3.790 -7.034 1.00 0.00 C ATOM 640 O PHE A 77 -37.817 2.887 -7.604 1.00 0.00 O ATOM 641 CB PHE A 77 -38.579 5.877 -7.317 1.00 0.00 C ATOM 642 CG PHE A 77 -38.576 7.276 -7.885 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.980 7.497 -9.206 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.168 8.354 -7.088 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.978 8.794 -9.732 1.00 0.00 C ATOM 646 CE2 PHE A 77 -38.165 9.651 -7.615 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.570 9.871 -8.937 1.00 0.00 C ATOM 0 H PHE A 77 -37.696 4.629 -9.599 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.436 5.788 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.386 5.294 -7.761 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -38.763 5.909 -6.243 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.294 6.666 -9.820 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.856 8.184 -6.068 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -39.291 8.964 -10.752 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.850 10.482 -7.001 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.568 10.872 -9.343 1.00 0.00 H new ATOM 657 N VAL A 78 -36.597 3.582 -5.915 1.00 0.00 N ATOM 658 CA VAL A 78 -36.569 2.219 -5.318 1.00 0.00 C ATOM 659 C VAL A 78 -37.171 2.267 -3.912 1.00 0.00 C ATOM 660 O VAL A 78 -36.792 3.078 -3.091 1.00 0.00 O ATOM 661 CB VAL A 78 -35.121 1.728 -5.238 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.100 0.275 -4.762 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.475 1.822 -6.622 1.00 0.00 C ATOM 0 H VAL A 78 -36.093 4.297 -5.391 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.150 1.537 -5.939 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.565 2.347 -4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.069 -0.074 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.561 0.208 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.655 -0.346 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.444 1.473 -6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.031 1.202 -7.326 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.490 2.858 -6.961 1.00 0.00 H new ATOM 673 N THR A 79 -38.107 1.404 -3.629 1.00 0.00 N ATOM 674 CA THR A 79 -38.732 1.401 -2.276 1.00 0.00 C ATOM 675 C THR A 79 -38.225 0.196 -1.484 1.00 0.00 C ATOM 676 O THR A 79 -38.242 -0.922 -1.957 1.00 0.00 O ATOM 677 CB THR A 79 -40.254 1.314 -2.419 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.710 2.372 -3.251 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.907 1.429 -1.041 1.00 0.00 C ATOM 0 H THR A 79 -38.466 0.701 -4.275 1.00 0.00 H new ATOM 0 HA THR A 79 -38.468 2.319 -1.750 1.00 0.00 H new ATOM 0 HB THR A 79 -40.523 0.357 -2.866 1.00 0.00 H new ATOM 0 HG1 THR A 79 -40.583 2.127 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.990 1.367 -1.145 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.557 0.617 -0.403 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.640 2.385 -0.591 1.00 0.00 H new ATOM 687 N TYR A 80 -37.771 0.414 -0.279 1.00 0.00 N ATOM 688 CA TYR A 80 -37.261 -0.723 0.540 1.00 0.00 C ATOM 689 C TYR A 80 -38.117 -0.873 1.799 1.00 0.00 C ATOM 690 O TYR A 80 -38.417 0.089 2.478 1.00 0.00 O ATOM 691 CB TYR A 80 -35.809 -0.454 0.940 1.00 0.00 C ATOM 692 CG TYR A 80 -34.883 -1.037 -0.100 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.117 -2.323 -0.605 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.793 -0.291 -0.562 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.259 -2.861 -1.571 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.935 -0.830 -1.528 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.168 -2.115 -2.032 1.00 0.00 C ATOM 698 OH TYR A 80 -32.322 -2.647 -2.985 1.00 0.00 O ATOM 0 H TYR A 80 -37.731 1.328 0.173 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.313 -1.641 -0.045 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.639 0.619 1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.602 -0.895 1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.959 -2.899 -0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.614 0.701 -0.173 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.439 -3.852 -1.961 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.093 -0.254 -1.884 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.416 -3.622 -2.998 1.00 0.00 H new ATOM 708 N GLU A 81 -38.511 -2.076 2.118 1.00 0.00 N ATOM 709 CA GLU A 81 -39.346 -2.292 3.333 1.00 0.00 C ATOM 710 C GLU A 81 -38.565 -1.847 4.572 1.00 0.00 C ATOM 711 O GLU A 81 -39.127 -1.344 5.524 1.00 0.00 O ATOM 712 CB GLU A 81 -39.690 -3.778 3.453 1.00 0.00 C ATOM 713 CG GLU A 81 -40.712 -3.977 4.574 1.00 0.00 C ATOM 714 CD GLU A 81 -40.976 -5.473 4.760 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.385 -6.255 4.034 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.765 -5.812 5.628 1.00 0.00 O ATOM 0 H GLU A 81 -38.290 -2.919 1.589 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.265 -1.710 3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.093 -4.146 2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.789 -4.355 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.339 -3.544 5.502 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.640 -3.460 4.331 1.00 0.00 H new ATOM 723 N LYS A 82 -37.273 -2.030 4.567 1.00 0.00 N ATOM 724 CA LYS A 82 -36.457 -1.619 5.743 1.00 0.00 C ATOM 725 C LYS A 82 -35.519 -0.480 5.340 1.00 0.00 C ATOM 726 O LYS A 82 -35.043 -0.421 4.224 1.00 0.00 O ATOM 727 CB LYS A 82 -35.630 -2.811 6.232 1.00 0.00 C ATOM 728 CG LYS A 82 -36.565 -3.911 6.737 1.00 0.00 C ATOM 729 CD LYS A 82 -35.738 -5.034 7.366 1.00 0.00 C ATOM 730 CE LYS A 82 -36.671 -6.138 7.866 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.600 -7.306 6.943 1.00 0.00 N ATOM 0 H LYS A 82 -36.747 -2.447 3.799 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.117 -1.281 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.008 -3.192 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.957 -2.497 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.261 -3.503 7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.162 -4.302 5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -35.039 -5.438 6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.144 -4.643 8.192 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -36.387 -6.440 8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -37.694 -5.766 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.235 -8.056 7.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -36.891 -7.013 5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -35.624 -7.665 6.912 1.00 0.00 H new ATOM 745 N MET A 83 -35.247 0.424 6.241 1.00 0.00 N ATOM 746 CA MET A 83 -34.337 1.556 5.907 1.00 0.00 C ATOM 747 C MET A 83 -32.905 1.034 5.787 1.00 0.00 C ATOM 748 O MET A 83 -32.054 1.661 5.186 1.00 0.00 O ATOM 749 CB MET A 83 -34.407 2.610 7.015 1.00 0.00 C ATOM 750 CG MET A 83 -35.831 3.162 7.105 1.00 0.00 C ATOM 751 SD MET A 83 -35.888 4.485 8.338 1.00 0.00 S ATOM 752 CE MET A 83 -35.327 3.504 9.752 1.00 0.00 C ATOM 0 H MET A 83 -35.615 0.428 7.192 1.00 0.00 H new ATOM 0 HA MET A 83 -34.642 2.005 4.962 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.115 2.170 7.969 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.705 3.418 6.808 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.147 3.542 6.134 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.524 2.366 7.377 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.722 3.934 10.673 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.683 2.479 9.648 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.238 3.507 9.788 1.00 0.00 H new ATOM 762 N GLU A 84 -32.632 -0.109 6.354 1.00 0.00 N ATOM 763 CA GLU A 84 -31.255 -0.673 6.272 1.00 0.00 C ATOM 764 C GLU A 84 -31.014 -1.223 4.865 1.00 0.00 C ATOM 765 O GLU A 84 -29.889 -1.352 4.423 1.00 0.00 O ATOM 766 CB GLU A 84 -31.106 -1.801 7.294 1.00 0.00 C ATOM 767 CG GLU A 84 -31.181 -1.224 8.708 1.00 0.00 C ATOM 768 CD GLU A 84 -30.908 -2.333 9.727 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.845 -3.481 9.320 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.767 -2.014 10.897 1.00 0.00 O ATOM 0 H GLU A 84 -33.303 -0.677 6.871 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.527 0.109 6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.892 -2.542 7.150 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.155 -2.313 7.149 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.452 -0.422 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -32.165 -0.789 8.883 1.00 0.00 H new ATOM 777 N SER A 85 -32.060 -1.550 4.157 1.00 0.00 N ATOM 778 CA SER A 85 -31.890 -2.093 2.780 1.00 0.00 C ATOM 779 C SER A 85 -31.533 -0.954 1.824 1.00 0.00 C ATOM 780 O SER A 85 -30.798 -1.136 0.874 1.00 0.00 O ATOM 781 CB SER A 85 -33.195 -2.750 2.327 1.00 0.00 C ATOM 782 OG SER A 85 -33.589 -3.727 3.279 1.00 0.00 O ATOM 0 H SER A 85 -33.026 -1.464 4.473 1.00 0.00 H new ATOM 0 HA SER A 85 -31.090 -2.834 2.777 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.975 -1.997 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.061 -3.213 1.349 1.00 0.00 H new ATOM 0 HG SER A 85 -34.426 -4.147 2.990 1.00 0.00 H new ATOM 788 N ALA A 86 -32.046 0.219 2.068 1.00 0.00 N ATOM 789 CA ALA A 86 -31.735 1.370 1.175 1.00 0.00 C ATOM 790 C ALA A 86 -30.318 1.870 1.463 1.00 0.00 C ATOM 791 O ALA A 86 -29.559 2.165 0.562 1.00 0.00 O ATOM 792 CB ALA A 86 -32.736 2.498 1.431 1.00 0.00 C ATOM 0 H ALA A 86 -32.668 0.431 2.848 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.804 1.052 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.509 3.341 0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.746 2.142 1.226 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.667 2.816 2.471 1.00 0.00 H new ATOM 798 N ASP A 87 -29.958 1.968 2.712 1.00 0.00 N ATOM 799 CA ASP A 87 -28.590 2.450 3.057 1.00 0.00 C ATOM 800 C ASP A 87 -27.550 1.471 2.510 1.00 0.00 C ATOM 801 O ASP A 87 -26.489 1.860 2.066 1.00 0.00 O ATOM 802 CB ASP A 87 -28.452 2.544 4.578 1.00 0.00 C ATOM 803 CG ASP A 87 -29.476 3.542 5.122 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.039 4.275 4.327 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.680 3.554 6.324 1.00 0.00 O ATOM 0 H ASP A 87 -30.551 1.736 3.509 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.429 3.433 2.615 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.608 1.564 5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.443 2.860 4.844 1.00 0.00 H new ATOM 810 N GLN A 88 -27.849 0.202 2.539 1.00 0.00 N ATOM 811 CA GLN A 88 -26.879 -0.804 2.020 1.00 0.00 C ATOM 812 C GLN A 88 -26.809 -0.706 0.496 1.00 0.00 C ATOM 813 O GLN A 88 -25.765 -0.880 -0.100 1.00 0.00 O ATOM 814 CB GLN A 88 -27.337 -2.207 2.421 1.00 0.00 C ATOM 815 CG GLN A 88 -26.241 -3.218 2.081 1.00 0.00 C ATOM 816 CD GLN A 88 -26.742 -4.633 2.381 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.789 -4.806 2.973 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.032 -5.660 1.997 1.00 0.00 N ATOM 0 H GLN A 88 -28.722 -0.182 2.899 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.893 -0.609 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.557 -2.238 3.488 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.258 -2.464 1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.966 -3.133 1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.344 -3.007 2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.153 -5.515 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.357 -6.607 2.194 1.00 0.00 H new ATOM 827 N ALA A 89 -27.913 -0.428 -0.137 1.00 0.00 N ATOM 828 CA ALA A 89 -27.913 -0.319 -1.623 1.00 0.00 C ATOM 829 C ALA A 89 -27.375 1.054 -2.032 1.00 0.00 C ATOM 830 O ALA A 89 -26.705 1.196 -3.035 1.00 0.00 O ATOM 831 CB ALA A 89 -29.341 -0.483 -2.147 1.00 0.00 C ATOM 0 H ALA A 89 -28.816 -0.271 0.310 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.280 -1.099 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.341 -0.403 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.726 -1.460 -1.855 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.975 0.297 -1.726 1.00 0.00 H new ATOM 837 N VAL A 90 -27.665 2.067 -1.261 1.00 0.00 N ATOM 838 CA VAL A 90 -27.171 3.430 -1.605 1.00 0.00 C ATOM 839 C VAL A 90 -25.657 3.493 -1.394 1.00 0.00 C ATOM 840 O VAL A 90 -24.955 4.216 -2.073 1.00 0.00 O ATOM 841 CB VAL A 90 -27.854 4.460 -0.702 1.00 0.00 C ATOM 842 CG1 VAL A 90 -27.235 5.838 -0.941 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.349 4.509 -1.025 1.00 0.00 C ATOM 0 H VAL A 90 -28.222 2.009 -0.409 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.401 3.648 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.717 4.177 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.721 6.572 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.170 5.803 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -27.372 6.122 -1.984 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.836 5.242 -0.382 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.487 4.793 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.790 3.527 -0.855 1.00 0.00 H new ATOM 853 N ALA A 91 -25.146 2.744 -0.455 1.00 0.00 N ATOM 854 CA ALA A 91 -23.677 2.765 -0.200 1.00 0.00 C ATOM 855 C ALA A 91 -22.962 1.889 -1.231 1.00 0.00 C ATOM 856 O ALA A 91 -21.892 2.219 -1.702 1.00 0.00 O ATOM 857 CB ALA A 91 -23.400 2.226 1.204 1.00 0.00 C ATOM 0 H ALA A 91 -25.682 2.119 0.147 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.310 3.788 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.327 2.240 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.907 2.850 1.940 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.769 1.203 1.280 1.00 0.00 H new ATOM 863 N GLU A 92 -23.540 0.773 -1.581 1.00 0.00 N ATOM 864 CA GLU A 92 -22.887 -0.123 -2.576 1.00 0.00 C ATOM 865 C GLU A 92 -23.165 0.386 -3.992 1.00 0.00 C ATOM 866 O GLU A 92 -22.264 0.557 -4.789 1.00 0.00 O ATOM 867 CB GLU A 92 -23.445 -1.539 -2.428 1.00 0.00 C ATOM 868 CG GLU A 92 -23.039 -2.110 -1.068 1.00 0.00 C ATOM 869 CD GLU A 92 -21.513 -2.160 -0.973 1.00 0.00 C ATOM 870 OE1 GLU A 92 -20.872 -2.116 -2.010 1.00 0.00 O ATOM 871 OE2 GLU A 92 -21.010 -2.243 0.135 1.00 0.00 O ATOM 0 H GLU A 92 -24.436 0.443 -1.221 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.811 -0.132 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.531 -1.524 -2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.067 -2.175 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.444 -1.493 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.455 -3.110 -0.942 1.00 0.00 H new ATOM 878 N LEU A 93 -24.407 0.623 -4.313 1.00 0.00 N ATOM 879 CA LEU A 93 -24.743 1.112 -5.681 1.00 0.00 C ATOM 880 C LEU A 93 -24.090 2.477 -5.918 1.00 0.00 C ATOM 881 O LEU A 93 -23.711 2.807 -7.025 1.00 0.00 O ATOM 882 CB LEU A 93 -26.261 1.241 -5.816 1.00 0.00 C ATOM 883 CG LEU A 93 -26.901 -0.145 -5.698 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.370 -0.065 -6.117 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.163 -1.128 -6.609 1.00 0.00 C ATOM 0 H LEU A 93 -25.204 0.499 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.370 0.403 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.651 1.901 -5.041 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.515 1.691 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.836 -0.489 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.826 -1.051 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.896 0.635 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.436 0.279 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.619 -2.115 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.227 -0.785 -7.642 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.116 -1.185 -6.310 1.00 0.00 H new ATOM 897 N ASN A 94 -23.954 3.272 -4.893 1.00 0.00 N ATOM 898 CA ASN A 94 -23.325 4.611 -5.071 1.00 0.00 C ATOM 899 C ASN A 94 -21.859 4.437 -5.473 1.00 0.00 C ATOM 900 O ASN A 94 -21.108 3.734 -4.828 1.00 0.00 O ATOM 901 CB ASN A 94 -23.402 5.395 -3.758 1.00 0.00 C ATOM 902 CG ASN A 94 -22.605 6.693 -3.892 1.00 0.00 C ATOM 903 OD1 ASN A 94 -21.563 6.845 -3.286 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.053 7.643 -4.668 1.00 0.00 N ATOM 0 H ASN A 94 -24.250 3.053 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 94 -23.855 5.157 -5.851 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.441 5.617 -3.515 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.005 4.795 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.528 8.512 -4.765 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.928 7.516 -5.177 1.00 0.00 H new ATOM 911 N GLY A 95 -21.446 5.071 -6.536 1.00 0.00 N ATOM 912 CA GLY A 95 -20.029 4.940 -6.978 1.00 0.00 C ATOM 913 C GLY A 95 -19.868 3.653 -7.790 1.00 0.00 C ATOM 914 O GLY A 95 -18.831 3.020 -7.768 1.00 0.00 O ATOM 0 H GLY A 95 -22.028 5.674 -7.117 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -19.743 5.802 -7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.366 4.923 -6.113 1.00 0.00 H new ATOM 918 N THR A 96 -20.885 3.261 -8.507 1.00 0.00 N ATOM 919 CA THR A 96 -20.788 2.016 -9.319 1.00 0.00 C ATOM 920 C THR A 96 -21.051 2.346 -10.791 1.00 0.00 C ATOM 921 O THR A 96 -21.556 3.402 -11.118 1.00 0.00 O ATOM 922 CB THR A 96 -21.828 1.005 -8.828 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.132 1.530 -9.034 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.614 0.735 -7.337 1.00 0.00 C ATOM 0 H THR A 96 -21.779 3.749 -8.565 1.00 0.00 H new ATOM 0 HA THR A 96 -19.790 1.590 -9.215 1.00 0.00 H new ATOM 0 HB THR A 96 -21.720 0.073 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.219 2.384 -8.562 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.354 0.015 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.614 0.332 -7.180 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.721 1.666 -6.780 1.00 0.00 H new ATOM 932 N GLN A 97 -20.711 1.454 -11.679 1.00 0.00 N ATOM 933 CA GLN A 97 -20.940 1.720 -13.128 1.00 0.00 C ATOM 934 C GLN A 97 -21.686 0.539 -13.752 1.00 0.00 C ATOM 935 O GLN A 97 -21.735 -0.542 -13.198 1.00 0.00 O ATOM 936 CB GLN A 97 -19.593 1.899 -13.831 1.00 0.00 C ATOM 937 CG GLN A 97 -19.097 3.332 -13.625 1.00 0.00 C ATOM 938 CD GLN A 97 -17.907 3.596 -14.549 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.891 4.108 -14.121 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.988 3.265 -15.809 1.00 0.00 N ATOM 0 H GLN A 97 -20.285 0.552 -11.465 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.534 2.627 -13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.866 1.191 -13.434 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -19.695 1.688 -14.895 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.899 4.040 -13.835 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -18.805 3.481 -12.586 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.840 2.835 -16.170 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.199 3.436 -16.433 1.00 0.00 H new ATOM 949 N VAL A 98 -22.268 0.738 -14.903 1.00 0.00 N ATOM 950 CA VAL A 98 -23.012 -0.371 -15.569 1.00 0.00 C ATOM 951 C VAL A 98 -22.164 -0.921 -16.714 1.00 0.00 C ATOM 952 O VAL A 98 -20.967 -0.718 -16.765 1.00 0.00 O ATOM 953 CB VAL A 98 -24.336 0.151 -16.144 1.00 0.00 C ATOM 954 CG1 VAL A 98 -25.460 -0.827 -15.793 1.00 0.00 C ATOM 955 CG2 VAL A 98 -24.662 1.531 -15.562 1.00 0.00 C ATOM 0 H VAL A 98 -22.261 1.622 -15.412 1.00 0.00 H new ATOM 0 HA VAL A 98 -23.218 -1.152 -14.837 1.00 0.00 H new ATOM 0 HB VAL A 98 -24.243 0.238 -17.227 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -26.402 -0.460 -16.200 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -25.238 -1.805 -16.219 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -25.542 -0.914 -14.710 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -25.604 1.889 -15.979 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -24.750 1.457 -14.478 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.865 2.230 -15.815 1.00 0.00 H new ATOM 965 N GLU A 99 -22.774 -1.603 -17.644 1.00 0.00 N ATOM 966 CA GLU A 99 -21.995 -2.143 -18.790 1.00 0.00 C ATOM 967 C GLU A 99 -21.104 -1.029 -19.335 1.00 0.00 C ATOM 968 O GLU A 99 -20.069 -1.272 -19.922 1.00 0.00 O ATOM 969 CB GLU A 99 -22.951 -2.619 -19.886 1.00 0.00 C ATOM 970 CG GLU A 99 -23.806 -3.771 -19.351 1.00 0.00 C ATOM 971 CD GLU A 99 -24.664 -4.336 -20.484 1.00 0.00 C ATOM 972 OE1 GLU A 99 -24.684 -3.731 -21.545 1.00 0.00 O ATOM 973 OE2 GLU A 99 -25.287 -5.364 -20.274 1.00 0.00 O ATOM 0 H GLU A 99 -23.773 -1.808 -17.659 1.00 0.00 H new ATOM 0 HA GLU A 99 -21.386 -2.986 -18.464 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -23.590 -1.797 -20.209 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -22.387 -2.946 -20.759 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -23.167 -4.552 -18.940 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -24.442 -3.419 -18.539 1.00 0.00 H new ATOM 980 N SER A 100 -21.503 0.198 -19.135 1.00 0.00 N ATOM 981 CA SER A 100 -20.690 1.342 -19.627 1.00 0.00 C ATOM 982 C SER A 100 -21.400 2.654 -19.291 1.00 0.00 C ATOM 983 O SER A 100 -21.371 3.601 -20.052 1.00 0.00 O ATOM 984 CB SER A 100 -20.510 1.230 -21.143 1.00 0.00 C ATOM 985 OG SER A 100 -19.227 0.687 -21.427 1.00 0.00 O ATOM 0 H SER A 100 -22.362 0.456 -18.649 1.00 0.00 H new ATOM 0 HA SER A 100 -19.712 1.325 -19.146 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.288 0.595 -21.567 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.612 2.211 -21.606 1.00 0.00 H new ATOM 0 HG SER A 100 -19.137 -0.185 -20.990 1.00 0.00 H new ATOM 991 N VAL A 101 -22.039 2.718 -18.155 1.00 0.00 N ATOM 992 CA VAL A 101 -22.751 3.969 -17.768 1.00 0.00 C ATOM 993 C VAL A 101 -22.516 4.254 -16.283 1.00 0.00 C ATOM 994 O VAL A 101 -22.196 3.370 -15.514 1.00 0.00 O ATOM 995 CB VAL A 101 -24.249 3.797 -18.023 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.003 5.010 -17.475 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.500 3.676 -19.527 1.00 0.00 C ATOM 0 H VAL A 101 -22.099 1.958 -17.478 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.372 4.802 -18.360 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.601 2.895 -17.523 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.071 4.887 -17.657 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.825 5.095 -16.403 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.651 5.913 -17.974 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.568 3.553 -19.709 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.148 4.577 -20.028 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.964 2.811 -19.917 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.674 5.484 -15.874 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.464 5.829 -14.440 1.00 0.00 C ATOM 1009 C GLN A 102 -23.824 5.992 -13.756 1.00 0.00 C ATOM 1010 O GLN A 102 -24.677 6.722 -14.219 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.683 7.140 -14.339 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.281 6.945 -14.921 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.495 8.255 -14.811 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.072 9.308 -14.626 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.195 8.232 -14.921 1.00 0.00 N ATOM 0 H GLN A 102 -22.940 6.266 -16.473 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.901 5.034 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.206 7.930 -14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.615 7.456 -13.298 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.761 6.151 -14.386 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.349 6.636 -15.964 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.712 7.347 -15.076 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.662 9.099 -14.852 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.033 5.316 -12.660 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.339 5.432 -11.952 1.00 0.00 C ATOM 1026 C LEU A 103 -25.182 6.340 -10.729 1.00 0.00 C ATOM 1027 O LEU A 103 -24.098 6.517 -10.210 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.799 4.045 -11.501 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.312 4.058 -11.273 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.926 2.778 -11.844 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.601 4.135 -9.772 1.00 0.00 C ATOM 0 H LEU A 103 -23.357 4.689 -12.224 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.080 5.860 -12.627 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.541 3.302 -12.255 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.285 3.760 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.746 4.924 -11.773 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.004 2.788 -11.681 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.721 2.721 -12.913 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.491 1.912 -11.345 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.679 4.144 -9.609 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.166 3.269 -9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.164 5.046 -9.364 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.259 6.913 -10.264 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.177 7.805 -9.074 1.00 0.00 C ATOM 1045 C LYS A 104 -27.330 7.482 -8.121 1.00 0.00 C ATOM 1046 O LYS A 104 -28.462 7.323 -8.533 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.274 9.265 -9.522 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.068 9.612 -10.396 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.135 11.086 -10.802 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.057 11.375 -11.850 1.00 0.00 C ATOM 1051 NZ LYS A 104 -23.855 12.847 -11.963 1.00 0.00 N ATOM 0 H LYS A 104 -27.193 6.801 -10.658 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.227 7.648 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.198 9.425 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.307 9.922 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.144 9.416 -9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.056 8.980 -11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.121 11.319 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.989 11.722 -9.929 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.122 10.890 -11.569 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.353 10.963 -12.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -23.123 13.043 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -24.747 13.299 -12.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -23.554 13.228 -11.043 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.052 7.379 -6.850 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.134 7.060 -5.876 1.00 0.00 C ATOM 1067 C VAL A 105 -28.361 8.256 -4.946 1.00 0.00 C ATOM 1068 O VAL A 105 -27.428 8.901 -4.511 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.729 5.839 -5.048 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -26.635 6.234 -4.053 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.947 5.311 -4.286 1.00 0.00 C ATOM 0 H VAL A 105 -26.124 7.502 -6.445 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.055 6.845 -6.417 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.351 5.061 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -26.347 5.363 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -25.767 6.607 -4.596 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -27.011 7.013 -3.390 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -28.658 4.441 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -29.327 6.089 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -29.725 5.027 -4.995 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.594 8.553 -4.636 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.878 9.703 -3.733 1.00 0.00 C ATOM 1083 C ASN A 106 -30.962 9.307 -2.729 1.00 0.00 C ATOM 1084 O ASN A 106 -31.570 8.260 -2.834 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.361 10.897 -4.558 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.241 11.359 -5.490 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -28.098 10.986 -5.318 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -29.521 12.164 -6.479 1.00 0.00 N ATOM 0 H ASN A 106 -30.416 8.049 -4.969 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.968 9.976 -3.199 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.241 10.619 -5.139 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.659 11.712 -3.898 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -28.780 12.479 -7.106 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -30.480 12.478 -6.625 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.208 10.138 -1.753 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.251 9.811 -0.741 1.00 0.00 C ATOM 1097 C ILE A 107 -33.380 10.840 -0.820 1.00 0.00 C ATOM 1098 O ILE A 107 -33.147 12.032 -0.821 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.631 9.844 0.658 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.431 8.897 0.708 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.673 9.403 1.688 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.804 8.943 2.104 1.00 0.00 C ATOM 0 H ILE A 107 -30.732 11.029 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.651 8.817 -0.940 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.302 10.858 0.885 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.746 7.880 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.695 9.185 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.232 9.426 2.685 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.527 10.079 1.653 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.003 8.389 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.949 8.268 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.475 9.959 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.542 8.634 2.845 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.604 10.389 -0.884 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.744 11.344 -0.960 1.00 0.00 C ATOM 1116 C ALA A 108 -35.901 12.052 0.387 1.00 0.00 C ATOM 1117 O ALA A 108 -35.712 11.463 1.433 1.00 0.00 O ATOM 1118 CB ALA A 108 -37.029 10.579 -1.288 1.00 0.00 C ATOM 0 H ALA A 108 -34.862 9.402 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.552 12.081 -1.740 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.864 11.277 -1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.916 10.071 -2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.223 9.843 -0.508 1.00 0.00 H new