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 -15:sc= 1.44! USER MOD Set 1.2: A 75 CYS SG : rot -106:sc= -2.13! USER MOD Set 2.1: A 41 THR OG1 : rot -54:sc= 0.0437 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0.0435 USER MOD Single : A 40 ASN : amide:sc= -5.65! C(o=-5.6!,f=-4.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 163:sc= -1.5 (180deg=-2.01) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 59 SER OG : rot 91:sc= 0.849 USER MOD Single : A 63 ASN : amide:sc=-0.00571 K(o=-0.0057,f=-1.5!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -138:sc= -3.72! (180deg=-8.01!) USER MOD Single : A 74 ASN : amide:sc= -0.0234 K(o=-0.023,f=-1.5!) USER MOD Single : A 80 TYR OH : rot 152:sc= -4.68! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 153:sc= -0.108 (180deg=-0.787) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 94 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 96 THR OG1 : rot -103:sc= 0.165 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 100 SER OG : rot 66:sc= 0.305 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= -1.74 K(o=-1.7,f=0.97) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.268 3.218 2.589 1.00 0.00 N ATOM 79 CA ASN A 40 -38.042 4.032 2.354 1.00 0.00 C ATOM 80 C ASN A 40 -37.803 4.168 0.849 1.00 0.00 C ATOM 81 O ASN A 40 -37.101 3.379 0.249 1.00 0.00 O ATOM 82 CB ASN A 40 -36.840 3.342 3.001 1.00 0.00 C ATOM 83 CG ASN A 40 -35.712 4.358 3.191 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.953 5.548 3.249 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.480 3.937 3.289 1.00 0.00 N ATOM 0 HA ASN A 40 -38.172 5.021 2.793 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -37.126 2.915 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.500 2.517 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.721 4.606 3.414 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -34.277 2.939 3.240 1.00 0.00 H new ATOM 92 N THR A 41 -38.382 5.163 0.235 1.00 0.00 N ATOM 93 CA THR A 41 -38.188 5.349 -1.230 1.00 0.00 C ATOM 94 C THR A 41 -36.758 5.820 -1.500 1.00 0.00 C ATOM 95 O THR A 41 -36.229 6.664 -0.803 1.00 0.00 O ATOM 96 CB THR A 41 -39.176 6.398 -1.746 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.500 6.001 -1.417 1.00 0.00 O ATOM 98 CG2 THR A 41 -39.042 6.527 -3.264 1.00 0.00 C ATOM 0 H THR A 41 -38.981 5.855 0.685 1.00 0.00 H new ATOM 0 HA THR A 41 -38.361 4.403 -1.742 1.00 0.00 H new ATOM 0 HB THR A 41 -38.959 7.360 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.663 5.095 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.746 7.274 -3.629 1.00 0.00 H new ATOM 0 HG22 THR A 41 -38.026 6.832 -3.515 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.258 5.566 -3.731 1.00 0.00 H new ATOM 106 N LEU A 42 -36.127 5.281 -2.507 1.00 0.00 N ATOM 107 CA LEU A 42 -34.731 5.698 -2.821 1.00 0.00 C ATOM 108 C LEU A 42 -34.703 6.386 -4.187 1.00 0.00 C ATOM 109 O LEU A 42 -35.572 6.183 -5.013 1.00 0.00 O ATOM 110 CB LEU A 42 -33.824 4.466 -2.849 1.00 0.00 C ATOM 111 CG LEU A 42 -32.373 4.897 -2.635 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.252 5.641 -1.305 1.00 0.00 C ATOM 113 CD2 LEU A 42 -31.472 3.660 -2.613 1.00 0.00 C ATOM 0 H LEU A 42 -36.517 4.570 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.376 6.390 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.124 3.763 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -33.924 3.949 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 42 -32.066 5.556 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -31.217 5.948 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.893 6.522 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -32.559 4.984 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -30.437 3.966 -2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -31.779 3.001 -1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -31.558 3.131 -3.562 1.00 0.00 H new ATOM 125 N TYR A 43 -33.714 7.201 -4.432 1.00 0.00 N ATOM 126 CA TYR A 43 -33.634 7.903 -5.744 1.00 0.00 C ATOM 127 C TYR A 43 -32.499 7.306 -6.578 1.00 0.00 C ATOM 128 O TYR A 43 -31.352 7.313 -6.179 1.00 0.00 O ATOM 129 CB TYR A 43 -33.365 9.391 -5.507 1.00 0.00 C ATOM 130 CG TYR A 43 -33.316 10.115 -6.830 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.497 10.599 -7.407 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.091 10.305 -7.480 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.452 11.271 -8.635 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.046 10.978 -8.707 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.227 11.462 -9.284 1.00 0.00 C ATOM 136 OH TYR A 43 -33.183 12.125 -10.493 1.00 0.00 O ATOM 0 H TYR A 43 -32.958 7.411 -3.780 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.576 7.782 -6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.147 9.816 -4.877 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.422 9.520 -4.976 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.442 10.454 -6.905 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.180 9.932 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -35.363 11.642 -9.081 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.101 11.124 -9.209 1.00 0.00 H new ATOM 0 HH TYR A 43 -34.087 12.181 -10.868 1.00 0.00 H new ATOM 146 N VAL A 44 -32.811 6.791 -7.736 1.00 0.00 N ATOM 147 CA VAL A 44 -31.751 6.193 -8.597 1.00 0.00 C ATOM 148 C VAL A 44 -31.675 6.965 -9.917 1.00 0.00 C ATOM 149 O VAL A 44 -32.675 7.217 -10.558 1.00 0.00 O ATOM 150 CB VAL A 44 -32.090 4.729 -8.881 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.994 4.112 -9.752 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.185 3.962 -7.561 1.00 0.00 C ATOM 0 H VAL A 44 -33.754 6.758 -8.123 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.790 6.250 -8.085 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.045 4.672 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.235 3.068 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.926 4.658 -10.693 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.039 4.169 -9.230 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.427 2.919 -7.763 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.230 4.019 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -32.966 4.402 -6.940 1.00 0.00 H new ATOM 162 N TYR A 45 -30.496 7.345 -10.327 1.00 0.00 N ATOM 163 CA TYR A 45 -30.360 8.102 -11.603 1.00 0.00 C ATOM 164 C TYR A 45 -29.291 7.444 -12.478 1.00 0.00 C ATOM 165 O TYR A 45 -28.329 6.888 -11.987 1.00 0.00 O ATOM 166 CB TYR A 45 -29.952 9.545 -11.298 1.00 0.00 C ATOM 167 CG TYR A 45 -29.837 10.319 -12.589 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.970 10.922 -13.148 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.596 10.436 -13.227 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.863 11.640 -14.344 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.489 11.154 -14.423 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.622 11.756 -14.982 1.00 0.00 C ATOM 173 OH TYR A 45 -29.516 12.465 -16.162 1.00 0.00 O ATOM 0 H TYR A 45 -29.622 7.164 -9.834 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.314 8.097 -12.131 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.690 10.013 -10.646 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -29.001 9.561 -10.766 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.927 10.833 -12.656 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.721 9.972 -12.796 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.737 12.105 -14.775 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.532 11.244 -14.915 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.586 12.448 -16.471 1.00 0.00 H new ATOM 183 N GLY A 46 -29.451 7.502 -13.773 1.00 0.00 N ATOM 184 CA GLY A 46 -28.443 6.881 -14.678 1.00 0.00 C ATOM 185 C GLY A 46 -28.976 6.879 -16.112 1.00 0.00 C ATOM 186 O GLY A 46 -30.073 7.331 -16.379 1.00 0.00 O ATOM 0 H GLY A 46 -30.236 7.953 -14.243 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.505 7.434 -14.628 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.230 5.861 -14.357 1.00 0.00 H new ATOM 190 N GLU A 47 -28.208 6.375 -17.039 1.00 0.00 N ATOM 191 CA GLU A 47 -28.671 6.344 -18.457 1.00 0.00 C ATOM 192 C GLU A 47 -29.197 4.946 -18.790 1.00 0.00 C ATOM 193 O GLU A 47 -28.849 3.972 -18.153 1.00 0.00 O ATOM 194 CB GLU A 47 -27.502 6.682 -19.383 1.00 0.00 C ATOM 195 CG GLU A 47 -26.982 8.084 -19.059 1.00 0.00 C ATOM 196 CD GLU A 47 -25.881 8.462 -20.050 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.471 7.598 -20.809 1.00 0.00 O ATOM 198 OE2 GLU A 47 -25.464 9.609 -20.036 1.00 0.00 O ATOM 0 H GLU A 47 -27.280 5.983 -16.877 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.467 7.075 -18.596 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -26.704 5.950 -19.261 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.823 6.633 -20.424 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -27.797 8.806 -19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.595 8.113 -18.041 1.00 0.00 H new ATOM 205 N ASP A 48 -30.037 4.841 -19.784 1.00 0.00 N ATOM 206 CA ASP A 48 -30.585 3.506 -20.158 1.00 0.00 C ATOM 207 C ASP A 48 -30.995 2.750 -18.891 1.00 0.00 C ATOM 208 O ASP A 48 -30.550 1.647 -18.644 1.00 0.00 O ATOM 209 CB ASP A 48 -29.517 2.706 -20.906 1.00 0.00 C ATOM 210 CG ASP A 48 -29.124 3.450 -22.184 1.00 0.00 C ATOM 211 OD1 ASP A 48 -29.891 4.295 -22.615 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.061 3.161 -22.711 1.00 0.00 O ATOM 0 H ASP A 48 -30.367 5.621 -20.352 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.455 3.638 -20.801 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.642 2.565 -20.271 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.896 1.714 -21.152 1.00 0.00 H new ATOM 217 N MET A 49 -31.840 3.336 -18.087 1.00 0.00 N ATOM 218 CA MET A 49 -32.277 2.649 -16.838 1.00 0.00 C ATOM 219 C MET A 49 -33.362 1.625 -17.171 1.00 0.00 C ATOM 220 O MET A 49 -34.224 1.862 -17.992 1.00 0.00 O ATOM 221 CB MET A 49 -32.834 3.683 -15.857 1.00 0.00 C ATOM 222 CG MET A 49 -31.783 4.764 -15.600 1.00 0.00 C ATOM 223 SD MET A 49 -32.444 5.984 -14.439 1.00 0.00 S ATOM 224 CE MET A 49 -32.406 4.937 -12.963 1.00 0.00 C ATOM 0 H MET A 49 -32.246 4.259 -18.240 1.00 0.00 H new ATOM 0 HA MET A 49 -31.426 2.140 -16.386 1.00 0.00 H new ATOM 0 HB2 MET A 49 -33.741 4.132 -16.262 1.00 0.00 H new ATOM 0 HB3 MET A 49 -33.109 3.199 -14.920 1.00 0.00 H new ATOM 0 HG2 MET A 49 -30.876 4.315 -15.195 1.00 0.00 H new ATOM 0 HG3 MET A 49 -31.508 5.249 -16.537 1.00 0.00 H new ATOM 0 HE1 MET A 49 -32.484 5.561 -12.072 1.00 0.00 H new ATOM 0 HE2 MET A 49 -33.242 4.238 -12.991 1.00 0.00 H new ATOM 0 HE3 MET A 49 -31.469 4.381 -12.936 1.00 0.00 H new ATOM 234 N THR A 50 -33.328 0.484 -16.536 1.00 0.00 N ATOM 235 CA THR A 50 -34.359 -0.556 -16.813 1.00 0.00 C ATOM 236 C THR A 50 -34.870 -1.130 -15.490 1.00 0.00 C ATOM 237 O THR A 50 -34.204 -1.062 -14.476 1.00 0.00 O ATOM 238 CB THR A 50 -33.740 -1.677 -17.652 1.00 0.00 C ATOM 239 OG1 THR A 50 -32.345 -1.746 -17.392 1.00 0.00 O ATOM 240 CG2 THR A 50 -33.970 -1.390 -19.137 1.00 0.00 C ATOM 0 H THR A 50 -32.630 0.228 -15.837 1.00 0.00 H new ATOM 0 HA THR A 50 -35.189 -0.110 -17.360 1.00 0.00 H new ATOM 0 HB THR A 50 -34.206 -2.627 -17.391 1.00 0.00 H new ATOM 0 HG1 THR A 50 -31.948 -2.464 -17.927 1.00 0.00 H new ATOM 0 HG21 THR A 50 -33.529 -2.188 -19.734 1.00 0.00 H new ATOM 0 HG22 THR A 50 -35.040 -1.337 -19.336 1.00 0.00 H new ATOM 0 HG23 THR A 50 -33.504 -0.440 -19.400 1.00 0.00 H new ATOM 248 N PRO A 51 -36.081 -1.705 -15.505 1.00 0.00 N ATOM 249 CA PRO A 51 -36.694 -2.293 -14.307 1.00 0.00 C ATOM 250 C PRO A 51 -35.991 -3.586 -13.882 1.00 0.00 C ATOM 251 O PRO A 51 -35.543 -3.719 -12.761 1.00 0.00 O ATOM 252 CB PRO A 51 -38.126 -2.595 -14.749 1.00 0.00 C ATOM 253 CG PRO A 51 -38.042 -2.748 -16.230 1.00 0.00 C ATOM 254 CD PRO A 51 -36.947 -1.826 -16.691 1.00 0.00 C ATOM 0 HA PRO A 51 -36.631 -1.626 -13.447 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.502 -3.503 -14.278 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.804 -1.788 -14.472 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.821 -3.780 -16.502 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.990 -2.491 -16.701 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.406 -2.238 -17.543 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.341 -0.858 -17.002 1.00 0.00 H new ATOM 262 N THR A 52 -35.890 -4.541 -14.768 1.00 0.00 N ATOM 263 CA THR A 52 -35.216 -5.819 -14.406 1.00 0.00 C ATOM 264 C THR A 52 -33.812 -5.522 -13.882 1.00 0.00 C ATOM 265 O THR A 52 -33.316 -6.183 -12.992 1.00 0.00 O ATOM 266 CB THR A 52 -35.122 -6.718 -15.642 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.972 -6.209 -16.661 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.556 -8.138 -15.276 1.00 0.00 C ATOM 0 H THR A 52 -36.244 -4.491 -15.723 1.00 0.00 H new ATOM 0 HA THR A 52 -35.793 -6.327 -13.633 1.00 0.00 H new ATOM 0 HB THR A 52 -34.093 -6.736 -16.001 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.912 -6.782 -17.454 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.489 -8.777 -16.156 1.00 0.00 H new ATOM 0 HG22 THR A 52 -34.904 -8.528 -14.494 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.585 -8.123 -14.916 1.00 0.00 H new ATOM 276 N LEU A 53 -33.167 -4.527 -14.425 1.00 0.00 N ATOM 277 CA LEU A 53 -31.798 -4.181 -13.954 1.00 0.00 C ATOM 278 C LEU A 53 -31.878 -3.658 -12.520 1.00 0.00 C ATOM 279 O LEU A 53 -31.099 -4.032 -11.666 1.00 0.00 O ATOM 280 CB LEU A 53 -31.201 -3.102 -14.859 1.00 0.00 C ATOM 281 CG LEU A 53 -29.719 -2.921 -14.527 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.947 -4.179 -14.930 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.169 -1.717 -15.296 1.00 0.00 C ATOM 0 H LEU A 53 -33.530 -3.939 -15.175 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.165 -5.068 -13.987 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.318 -3.384 -15.905 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.733 -2.161 -14.721 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.604 -2.753 -13.456 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.891 -4.049 -14.693 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.339 -5.037 -14.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -29.061 -4.348 -16.001 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.113 -1.586 -15.061 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.284 -1.886 -16.367 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.718 -0.820 -15.009 1.00 0.00 H new ATOM 295 N LEU A 54 -32.819 -2.796 -12.249 1.00 0.00 N ATOM 296 CA LEU A 54 -32.956 -2.250 -10.870 1.00 0.00 C ATOM 297 C LEU A 54 -33.396 -3.370 -9.926 1.00 0.00 C ATOM 298 O LEU A 54 -32.999 -3.420 -8.778 1.00 0.00 O ATOM 299 CB LEU A 54 -34.008 -1.139 -10.864 1.00 0.00 C ATOM 300 CG LEU A 54 -33.467 0.081 -11.611 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.635 0.953 -12.076 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.565 0.891 -10.679 1.00 0.00 C ATOM 0 H LEU A 54 -33.499 -2.446 -12.924 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.999 -1.846 -10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.926 -1.490 -11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -34.260 -0.868 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.892 -0.248 -12.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -34.250 1.823 -12.608 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -35.278 0.376 -12.741 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.210 1.283 -11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.179 1.761 -11.211 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.139 1.221 -9.813 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.733 0.270 -10.348 1.00 0.00 H new ATOM 314 N ARG A 55 -34.211 -4.271 -10.401 1.00 0.00 N ATOM 315 CA ARG A 55 -34.674 -5.387 -9.531 1.00 0.00 C ATOM 316 C ARG A 55 -33.471 -6.230 -9.102 1.00 0.00 C ATOM 317 O ARG A 55 -33.429 -6.757 -8.009 1.00 0.00 O ATOM 318 CB ARG A 55 -35.659 -6.263 -10.308 1.00 0.00 C ATOM 319 CG ARG A 55 -36.932 -5.464 -10.596 1.00 0.00 C ATOM 320 CD ARG A 55 -37.987 -6.389 -11.205 1.00 0.00 C ATOM 321 NE ARG A 55 -39.130 -5.574 -11.707 1.00 0.00 N ATOM 322 CZ ARG A 55 -40.262 -6.152 -12.004 1.00 0.00 C ATOM 323 NH1 ARG A 55 -40.266 -7.317 -12.590 1.00 0.00 N ATOM 324 NH2 ARG A 55 -41.390 -5.563 -11.715 1.00 0.00 N ATOM 0 H ARG A 55 -34.576 -4.282 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.167 -4.980 -8.648 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.207 -6.597 -11.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.900 -7.157 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.311 -5.019 -9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.713 -4.644 -11.280 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.552 -6.967 -12.021 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.335 -7.103 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 55 -39.027 -4.565 -11.818 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.384 -7.777 -12.816 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -41.151 -7.768 -12.822 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -41.387 -4.651 -11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -42.275 -6.014 -11.947 1.00 0.00 H new ATOM 338 N GLY A 56 -32.491 -6.361 -9.955 1.00 0.00 N ATOM 339 CA GLY A 56 -31.293 -7.171 -9.594 1.00 0.00 C ATOM 340 C GLY A 56 -30.329 -6.318 -8.766 1.00 0.00 C ATOM 341 O GLY A 56 -29.671 -6.802 -7.867 1.00 0.00 O ATOM 0 H GLY A 56 -32.468 -5.943 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.594 -8.052 -9.027 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.796 -7.527 -10.497 1.00 0.00 H new ATOM 345 N ALA A 57 -30.241 -5.052 -9.065 1.00 0.00 N ATOM 346 CA ALA A 57 -29.321 -4.166 -8.299 1.00 0.00 C ATOM 347 C ALA A 57 -29.979 -3.767 -6.975 1.00 0.00 C ATOM 348 O ALA A 57 -29.375 -3.123 -6.141 1.00 0.00 O ATOM 349 CB ALA A 57 -29.028 -2.908 -9.119 1.00 0.00 C ATOM 0 H ALA A 57 -30.767 -4.592 -9.808 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.390 -4.696 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.355 -2.258 -8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.561 -3.189 -10.063 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.960 -2.379 -9.319 1.00 0.00 H new ATOM 355 N PHE A 58 -31.214 -4.141 -6.777 1.00 0.00 N ATOM 356 CA PHE A 58 -31.909 -3.780 -5.510 1.00 0.00 C ATOM 357 C PHE A 58 -32.577 -5.023 -4.913 1.00 0.00 C ATOM 358 O PHE A 58 -33.195 -4.965 -3.869 1.00 0.00 O ATOM 359 CB PHE A 58 -32.973 -2.722 -5.805 1.00 0.00 C ATOM 360 CG PHE A 58 -32.303 -1.410 -6.136 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.610 -1.262 -7.344 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.377 -0.339 -5.237 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.989 -0.046 -7.651 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.755 0.877 -5.544 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.063 1.024 -6.751 1.00 0.00 C ATOM 0 H PHE A 58 -31.771 -4.681 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.184 -3.386 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.599 -3.043 -6.638 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.628 -2.600 -4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.555 -2.087 -8.039 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.914 -0.451 -4.307 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.453 0.067 -8.582 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.809 1.702 -4.849 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.586 1.963 -6.989 1.00 0.00 H new ATOM 375 N SER A 59 -32.463 -6.144 -5.571 1.00 0.00 N ATOM 376 CA SER A 59 -33.094 -7.389 -5.045 1.00 0.00 C ATOM 377 C SER A 59 -32.327 -7.887 -3.815 1.00 0.00 C ATOM 378 O SER A 59 -32.897 -8.080 -2.760 1.00 0.00 O ATOM 379 CB SER A 59 -33.070 -8.468 -6.129 1.00 0.00 C ATOM 380 OG SER A 59 -34.340 -8.535 -6.759 1.00 0.00 O ATOM 0 H SER A 59 -31.960 -6.252 -6.451 1.00 0.00 H new ATOM 0 HA SER A 59 -34.124 -7.174 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 59 -32.299 -8.242 -6.865 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.819 -9.434 -5.690 1.00 0.00 H new ATOM 0 HG SER A 59 -34.355 -7.930 -7.530 1.00 0.00 H new ATOM 386 N PRO A 60 -31.011 -8.108 -3.959 1.00 0.00 N ATOM 387 CA PRO A 60 -30.166 -8.596 -2.859 1.00 0.00 C ATOM 388 C PRO A 60 -30.004 -7.551 -1.751 1.00 0.00 C ATOM 389 O PRO A 60 -29.721 -7.877 -0.615 1.00 0.00 O ATOM 390 CB PRO A 60 -28.820 -8.863 -3.532 1.00 0.00 C ATOM 391 CG PRO A 60 -28.815 -7.972 -4.727 1.00 0.00 C ATOM 392 CD PRO A 60 -30.240 -7.901 -5.198 1.00 0.00 C ATOM 0 HA PRO A 60 -30.596 -9.472 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.990 -8.634 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.720 -9.910 -3.818 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.438 -6.981 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.166 -8.369 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.465 -6.939 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.458 -8.668 -5.941 1.00 0.00 H new ATOM 400 N PHE A 61 -30.179 -6.298 -2.070 1.00 0.00 N ATOM 401 CA PHE A 61 -30.035 -5.241 -1.030 1.00 0.00 C ATOM 402 C PHE A 61 -31.245 -5.278 -0.093 1.00 0.00 C ATOM 403 O PHE A 61 -31.167 -4.882 1.052 1.00 0.00 O ATOM 404 CB PHE A 61 -29.953 -3.870 -1.704 1.00 0.00 C ATOM 405 CG PHE A 61 -28.608 -3.715 -2.372 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.488 -3.356 -1.613 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.481 -3.931 -3.749 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.241 -3.211 -2.231 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.233 -3.786 -4.368 1.00 0.00 C ATOM 410 CZ PHE A 61 -26.113 -3.426 -3.609 1.00 0.00 C ATOM 0 H PHE A 61 -30.415 -5.961 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.126 -5.418 -0.456 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.750 -3.767 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.097 -3.081 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.586 -3.191 -0.550 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.345 -4.209 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.377 -2.933 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -27.135 -3.952 -5.431 1.00 0.00 H new ATOM 0 HZ PHE A 61 -25.151 -3.314 -4.086 1.00 0.00 H new ATOM 420 N GLY A 62 -32.363 -5.754 -0.571 1.00 0.00 N ATOM 421 CA GLY A 62 -33.575 -5.817 0.293 1.00 0.00 C ATOM 422 C GLY A 62 -34.810 -6.065 -0.578 1.00 0.00 C ATOM 423 O GLY A 62 -34.728 -6.113 -1.789 1.00 0.00 O ATOM 0 H GLY A 62 -32.489 -6.101 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.469 -6.614 1.029 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.689 -4.885 0.847 1.00 0.00 H new ATOM 427 N ASN A 63 -35.954 -6.227 0.030 1.00 0.00 N ATOM 428 CA ASN A 63 -37.191 -6.472 -0.765 1.00 0.00 C ATOM 429 C ASN A 63 -37.802 -5.135 -1.186 1.00 0.00 C ATOM 430 O ASN A 63 -37.864 -4.199 -0.414 1.00 0.00 O ATOM 431 CB ASN A 63 -38.198 -7.249 0.085 1.00 0.00 C ATOM 432 CG ASN A 63 -37.629 -8.630 0.417 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.694 -9.082 -0.213 1.00 0.00 O ATOM 434 ND2 ASN A 63 -38.156 -9.323 1.389 1.00 0.00 N ATOM 0 H ASN A 63 -36.085 -6.200 1.041 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.942 -7.052 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.413 -6.702 1.003 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.141 -7.352 -0.453 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.783 -10.244 1.619 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.941 -8.944 1.918 1.00 0.00 H new ATOM 441 N ILE A 64 -38.255 -5.037 -2.407 1.00 0.00 N ATOM 442 CA ILE A 64 -38.862 -3.759 -2.875 1.00 0.00 C ATOM 443 C ILE A 64 -40.388 -3.871 -2.829 1.00 0.00 C ATOM 444 O ILE A 64 -40.971 -4.771 -3.400 1.00 0.00 O ATOM 445 CB ILE A 64 -38.418 -3.477 -4.311 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.892 -3.367 -4.362 1.00 0.00 C ATOM 447 CG2 ILE A 64 -39.039 -2.163 -4.789 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.428 -3.394 -5.819 1.00 0.00 C ATOM 0 H ILE A 64 -38.231 -5.786 -3.099 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.536 -2.946 -2.227 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.746 -4.291 -4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.567 -2.444 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.439 -4.190 -3.809 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.722 -1.962 -5.812 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.126 -2.240 -4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.712 -1.349 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.341 -3.316 -5.856 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.741 -4.329 -6.283 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.871 -2.556 -6.357 1.00 0.00 H new ATOM 460 N ILE A 65 -41.038 -2.963 -2.155 1.00 0.00 N ATOM 461 CA ILE A 65 -42.525 -3.019 -2.075 1.00 0.00 C ATOM 462 C ILE A 65 -43.126 -2.243 -3.248 1.00 0.00 C ATOM 463 O ILE A 65 -44.233 -2.505 -3.677 1.00 0.00 O ATOM 464 CB ILE A 65 -42.989 -2.393 -0.759 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.769 -0.880 -0.805 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.188 -2.991 0.400 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.330 -0.244 0.469 1.00 0.00 C ATOM 0 H ILE A 65 -40.605 -2.186 -1.657 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.853 -4.058 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.049 -2.600 -0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.706 -0.659 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.259 -0.457 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.518 -2.545 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.347 -4.069 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.128 -2.785 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.173 0.834 0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.397 -0.454 0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.819 -0.659 1.338 1.00 0.00 H new ATOM 479 N ASP A 66 -42.406 -1.288 -3.771 1.00 0.00 N ATOM 480 CA ASP A 66 -42.937 -0.498 -4.917 1.00 0.00 C ATOM 481 C ASP A 66 -41.773 0.096 -5.714 1.00 0.00 C ATOM 482 O ASP A 66 -41.180 1.081 -5.323 1.00 0.00 O ATOM 483 CB ASP A 66 -43.822 0.633 -4.388 1.00 0.00 C ATOM 484 CG ASP A 66 -44.463 1.370 -5.565 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.303 0.912 -6.684 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.105 2.381 -5.326 1.00 0.00 O ATOM 0 H ASP A 66 -41.474 -1.021 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.524 -1.149 -5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.594 0.229 -3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.228 1.325 -3.791 1.00 0.00 H new ATOM 491 N LEU A 67 -41.443 -0.496 -6.829 1.00 0.00 N ATOM 492 CA LEU A 67 -40.320 0.037 -7.651 1.00 0.00 C ATOM 493 C LEU A 67 -40.867 1.052 -8.656 1.00 0.00 C ATOM 494 O LEU A 67 -41.841 0.801 -9.337 1.00 0.00 O ATOM 495 CB LEU A 67 -39.643 -1.115 -8.399 1.00 0.00 C ATOM 496 CG LEU A 67 -38.408 -0.598 -9.148 1.00 0.00 C ATOM 497 CD1 LEU A 67 -38.850 0.169 -10.395 1.00 0.00 C ATOM 498 CD2 LEU A 67 -37.603 0.331 -8.236 1.00 0.00 C ATOM 0 H LEU A 67 -41.902 -1.325 -7.206 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.591 0.524 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.352 -1.895 -7.696 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.344 -1.565 -9.102 1.00 0.00 H new ATOM 0 HG LEU A 67 -37.786 -1.443 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -37.972 0.536 -10.927 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -39.418 -0.494 -11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -39.475 1.012 -10.101 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -36.727 0.696 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -38.224 1.176 -7.937 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -37.284 -0.216 -7.349 1.00 0.00 H new ATOM 510 N SER A 68 -40.250 2.197 -8.754 1.00 0.00 N ATOM 511 CA SER A 68 -40.739 3.226 -9.713 1.00 0.00 C ATOM 512 C SER A 68 -39.640 3.544 -10.729 1.00 0.00 C ATOM 513 O SER A 68 -38.465 3.470 -10.430 1.00 0.00 O ATOM 514 CB SER A 68 -41.114 4.498 -8.950 1.00 0.00 C ATOM 515 OG SER A 68 -42.167 4.212 -8.041 1.00 0.00 O ATOM 0 H SER A 68 -39.429 2.464 -8.211 1.00 0.00 H new ATOM 0 HA SER A 68 -41.616 2.845 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 68 -40.247 4.880 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 68 -41.423 5.276 -9.648 1.00 0.00 H new ATOM 0 HG SER A 68 -42.406 5.026 -7.551 1.00 0.00 H new ATOM 521 N MET A 69 -40.014 3.897 -11.929 1.00 0.00 N ATOM 522 CA MET A 69 -38.991 4.219 -12.963 1.00 0.00 C ATOM 523 C MET A 69 -39.427 5.461 -13.744 1.00 0.00 C ATOM 524 O MET A 69 -40.592 5.648 -14.031 1.00 0.00 O ATOM 525 CB MET A 69 -38.851 3.037 -13.924 1.00 0.00 C ATOM 526 CG MET A 69 -38.178 1.867 -13.201 1.00 0.00 C ATOM 527 SD MET A 69 -37.678 0.616 -14.409 1.00 0.00 S ATOM 528 CE MET A 69 -36.300 1.537 -15.135 1.00 0.00 C ATOM 0 H MET A 69 -40.983 3.976 -12.237 1.00 0.00 H new ATOM 0 HA MET A 69 -38.033 4.412 -12.479 1.00 0.00 H new ATOM 0 HB2 MET A 69 -39.832 2.735 -14.291 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.261 3.329 -14.793 1.00 0.00 H new ATOM 0 HG2 MET A 69 -37.308 2.220 -12.647 1.00 0.00 H new ATOM 0 HG3 MET A 69 -38.864 1.432 -12.474 1.00 0.00 H new ATOM 0 HE1 MET A 69 -36.312 1.416 -16.218 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.398 2.594 -14.887 1.00 0.00 H new ATOM 0 HE3 MET A 69 -35.359 1.157 -14.738 1.00 0.00 H new ATOM 538 N ASP A 70 -38.499 6.312 -14.090 1.00 0.00 N ATOM 539 CA ASP A 70 -38.862 7.540 -14.852 1.00 0.00 C ATOM 540 C ASP A 70 -37.942 7.678 -16.067 1.00 0.00 C ATOM 541 O ASP A 70 -36.826 8.147 -15.961 1.00 0.00 O ATOM 542 CB ASP A 70 -38.702 8.766 -13.952 1.00 0.00 C ATOM 543 CG ASP A 70 -39.885 9.713 -14.164 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.927 9.241 -14.589 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.729 10.893 -13.897 1.00 0.00 O ATOM 0 H ASP A 70 -37.507 6.210 -13.878 1.00 0.00 H new ATOM 0 HA ASP A 70 -39.897 7.466 -15.185 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.651 8.459 -12.907 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.767 9.278 -14.180 1.00 0.00 H new ATOM 550 N PRO A 71 -38.427 7.257 -17.245 1.00 0.00 N ATOM 551 CA PRO A 71 -37.653 7.330 -18.486 1.00 0.00 C ATOM 552 C PRO A 71 -37.550 8.753 -19.071 1.00 0.00 C ATOM 553 O PRO A 71 -36.594 9.059 -19.757 1.00 0.00 O ATOM 554 CB PRO A 71 -38.420 6.419 -19.443 1.00 0.00 C ATOM 555 CG PRO A 71 -39.823 6.396 -18.931 1.00 0.00 C ATOM 556 CD PRO A 71 -39.765 6.672 -17.450 1.00 0.00 C ATOM 0 HA PRO A 71 -36.618 7.033 -18.316 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -38.381 6.799 -20.464 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -37.991 5.417 -19.460 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -40.429 7.146 -19.438 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -40.286 5.428 -19.124 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -40.552 7.360 -17.142 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -39.894 5.759 -16.869 1.00 0.00 H new ATOM 564 N PRO A 72 -38.532 9.647 -18.818 1.00 0.00 N ATOM 565 CA PRO A 72 -38.484 11.012 -19.356 1.00 0.00 C ATOM 566 C PRO A 72 -37.473 11.884 -18.607 1.00 0.00 C ATOM 567 O PRO A 72 -36.967 12.856 -19.133 1.00 0.00 O ATOM 568 CB PRO A 72 -39.896 11.545 -19.129 1.00 0.00 C ATOM 569 CG PRO A 72 -40.423 10.759 -17.977 1.00 0.00 C ATOM 570 CD PRO A 72 -39.746 9.417 -18.008 1.00 0.00 C ATOM 0 HA PRO A 72 -38.175 11.023 -20.401 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -39.884 12.612 -18.907 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -40.516 11.411 -20.015 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.219 11.271 -17.037 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.505 10.646 -18.051 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -39.497 9.073 -17.004 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -40.386 8.657 -18.456 1.00 0.00 H new ATOM 578 N ARG A 73 -37.176 11.546 -17.383 1.00 0.00 N ATOM 579 CA ARG A 73 -36.200 12.357 -16.602 1.00 0.00 C ATOM 580 C ARG A 73 -34.970 11.507 -16.277 1.00 0.00 C ATOM 581 O ARG A 73 -34.043 11.960 -15.635 1.00 0.00 O ATOM 582 CB ARG A 73 -36.852 12.825 -15.300 1.00 0.00 C ATOM 583 CG ARG A 73 -38.017 13.762 -15.623 1.00 0.00 C ATOM 584 CD ARG A 73 -38.563 14.361 -14.325 1.00 0.00 C ATOM 585 NE ARG A 73 -39.821 15.107 -14.613 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.973 14.607 -14.259 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.477 14.893 -13.090 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.619 13.820 -15.074 1.00 0.00 N ATOM 0 H ARG A 73 -37.567 10.743 -16.890 1.00 0.00 H new ATOM 0 HA ARG A 73 -35.897 13.223 -17.191 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.208 11.967 -14.730 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.119 13.339 -14.678 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.685 14.556 -16.291 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.804 13.216 -16.144 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.754 13.570 -13.599 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.825 15.029 -13.881 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.781 16.009 -15.087 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.970 15.508 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.378 14.502 -12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -41.224 13.596 -15.987 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.520 13.429 -14.798 1.00 0.00 H new ATOM 602 N ASN A 74 -34.951 10.277 -16.714 1.00 0.00 N ATOM 603 CA ASN A 74 -33.780 9.403 -16.427 1.00 0.00 C ATOM 604 C ASN A 74 -33.651 9.204 -14.916 1.00 0.00 C ATOM 605 O ASN A 74 -32.565 9.182 -14.373 1.00 0.00 O ATOM 606 CB ASN A 74 -32.507 10.063 -16.961 1.00 0.00 C ATOM 607 CG ASN A 74 -32.638 10.282 -18.470 1.00 0.00 C ATOM 608 OD1 ASN A 74 -33.494 9.701 -19.108 1.00 0.00 O ATOM 609 ND2 ASN A 74 -31.820 11.102 -19.072 1.00 0.00 N ATOM 0 H ASN A 74 -35.696 9.841 -17.257 1.00 0.00 H new ATOM 0 HA ASN A 74 -33.921 8.437 -16.912 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.340 11.016 -16.458 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -31.642 9.434 -16.748 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -31.899 11.255 -20.077 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.101 11.590 -18.537 1.00 0.00 H new ATOM 616 N CYS A 75 -34.752 9.059 -14.231 1.00 0.00 N ATOM 617 CA CYS A 75 -34.690 8.863 -12.755 1.00 0.00 C ATOM 618 C CYS A 75 -35.670 7.762 -12.345 1.00 0.00 C ATOM 619 O CYS A 75 -36.606 7.453 -13.055 1.00 0.00 O ATOM 620 CB CYS A 75 -35.065 10.169 -12.051 1.00 0.00 C ATOM 621 SG CYS A 75 -34.317 11.563 -12.930 1.00 0.00 S ATOM 0 H CYS A 75 -35.691 9.068 -14.629 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.679 8.574 -12.469 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.149 10.282 -12.023 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.720 10.150 -11.017 1.00 0.00 H new ATOM 0 HG CYS A 75 -33.319 12.027 -12.238 1.00 0.00 H new ATOM 627 N ALA A 76 -35.462 7.169 -11.202 1.00 0.00 N ATOM 628 CA ALA A 76 -36.380 6.089 -10.744 1.00 0.00 C ATOM 629 C ALA A 76 -36.471 6.117 -9.218 1.00 0.00 C ATOM 630 O ALA A 76 -35.540 6.501 -8.537 1.00 0.00 O ATOM 631 CB ALA A 76 -35.839 4.733 -11.200 1.00 0.00 C ATOM 0 H ALA A 76 -34.695 7.386 -10.565 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.371 6.245 -11.171 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.510 3.942 -10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.772 4.715 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.849 4.574 -10.772 1.00 0.00 H new ATOM 637 N PHE A 77 -37.587 5.715 -8.671 1.00 0.00 N ATOM 638 CA PHE A 77 -37.733 5.722 -7.189 1.00 0.00 C ATOM 639 C PHE A 77 -38.009 4.303 -6.691 1.00 0.00 C ATOM 640 O PHE A 77 -39.082 3.765 -6.879 1.00 0.00 O ATOM 641 CB PHE A 77 -38.896 6.631 -6.791 1.00 0.00 C ATOM 642 CG PHE A 77 -38.643 8.029 -7.300 1.00 0.00 C ATOM 643 CD1 PHE A 77 -39.043 8.386 -8.594 1.00 0.00 C ATOM 644 CD2 PHE A 77 -38.010 8.969 -6.479 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.810 9.684 -9.066 1.00 0.00 C ATOM 646 CE2 PHE A 77 -37.777 10.267 -6.951 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.177 10.624 -8.245 1.00 0.00 C ATOM 0 H PHE A 77 -38.402 5.383 -9.187 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.811 6.092 -6.741 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.829 6.246 -7.203 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.007 6.642 -5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.531 7.660 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.701 8.694 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -39.119 9.959 -10.064 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.289 10.993 -6.317 1.00 0.00 H new ATOM 0 HZ PHE A 77 -37.997 11.625 -8.609 1.00 0.00 H new ATOM 657 N VAL A 78 -37.049 3.695 -6.053 1.00 0.00 N ATOM 658 CA VAL A 78 -37.250 2.313 -5.539 1.00 0.00 C ATOM 659 C VAL A 78 -37.525 2.364 -4.035 1.00 0.00 C ATOM 660 O VAL A 78 -36.870 3.074 -3.299 1.00 0.00 O ATOM 661 CB VAL A 78 -35.989 1.494 -5.804 1.00 0.00 C ATOM 662 CG1 VAL A 78 -34.844 2.028 -4.943 1.00 0.00 C ATOM 663 CG2 VAL A 78 -36.245 0.025 -5.459 1.00 0.00 C ATOM 0 H VAL A 78 -36.131 4.097 -5.865 1.00 0.00 H new ATOM 0 HA VAL A 78 -38.099 1.851 -6.043 1.00 0.00 H new ATOM 0 HB VAL A 78 -35.722 1.575 -6.858 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -33.944 1.444 -5.132 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -34.658 3.073 -5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.113 1.949 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -35.343 -0.556 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -36.516 -0.060 -4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -37.059 -0.357 -6.075 1.00 0.00 H new ATOM 673 N THR A 79 -38.489 1.618 -3.573 1.00 0.00 N ATOM 674 CA THR A 79 -38.800 1.625 -2.116 1.00 0.00 C ATOM 675 C THR A 79 -38.342 0.305 -1.492 1.00 0.00 C ATOM 676 O THR A 79 -38.409 -0.739 -2.109 1.00 0.00 O ATOM 677 CB THR A 79 -40.309 1.788 -1.918 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.746 2.965 -2.586 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.621 1.902 -0.425 1.00 0.00 C ATOM 0 H THR A 79 -39.074 1.005 -4.140 1.00 0.00 H new ATOM 0 HA THR A 79 -38.280 2.454 -1.636 1.00 0.00 H new ATOM 0 HB THR A 79 -40.826 0.921 -2.329 1.00 0.00 H new ATOM 0 HG1 THR A 79 -41.712 3.072 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.696 2.018 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.284 1.001 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.106 2.769 -0.011 1.00 0.00 H new ATOM 687 N TYR A 80 -37.873 0.343 -0.275 1.00 0.00 N ATOM 688 CA TYR A 80 -37.411 -0.913 0.382 1.00 0.00 C ATOM 689 C TYR A 80 -38.302 -1.222 1.584 1.00 0.00 C ATOM 690 O TYR A 80 -38.883 -0.339 2.182 1.00 0.00 O ATOM 691 CB TYR A 80 -35.966 -0.738 0.858 1.00 0.00 C ATOM 692 CG TYR A 80 -35.014 -1.134 -0.245 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.252 -2.290 -1.000 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.888 -0.345 -0.510 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.365 -2.654 -2.020 1.00 0.00 C ATOM 696 CE2 TYR A 80 -33.001 -0.711 -1.529 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.240 -1.865 -2.284 1.00 0.00 C ATOM 698 OH TYR A 80 -32.366 -2.225 -3.287 1.00 0.00 O ATOM 0 H TYR A 80 -37.790 1.187 0.292 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.466 -1.734 -0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.791 0.298 1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.788 -1.350 1.742 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.119 -2.900 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.704 0.546 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.549 -3.544 -2.603 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.132 -0.103 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 80 -31.930 -1.423 -3.644 1.00 0.00 H new ATOM 708 N GLU A 81 -38.409 -2.470 1.949 1.00 0.00 N ATOM 709 CA GLU A 81 -39.255 -2.833 3.119 1.00 0.00 C ATOM 710 C GLU A 81 -38.595 -2.304 4.392 1.00 0.00 C ATOM 711 O GLU A 81 -39.251 -2.022 5.376 1.00 0.00 O ATOM 712 CB GLU A 81 -39.385 -4.355 3.205 1.00 0.00 C ATOM 713 CG GLU A 81 -40.285 -4.856 2.072 1.00 0.00 C ATOM 714 CD GLU A 81 -40.458 -6.371 2.190 1.00 0.00 C ATOM 715 OE1 GLU A 81 -39.865 -6.947 3.086 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.182 -6.928 1.382 1.00 0.00 O ATOM 0 H GLU A 81 -37.947 -3.253 1.487 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.247 -2.394 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -38.401 -4.819 3.134 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -39.804 -4.641 4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -41.256 -4.364 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -39.847 -4.603 1.106 1.00 0.00 H new ATOM 723 N LYS A 82 -37.298 -2.163 4.377 1.00 0.00 N ATOM 724 CA LYS A 82 -36.585 -1.648 5.579 1.00 0.00 C ATOM 725 C LYS A 82 -35.693 -0.474 5.171 1.00 0.00 C ATOM 726 O LYS A 82 -35.131 -0.455 4.095 1.00 0.00 O ATOM 727 CB LYS A 82 -35.722 -2.762 6.176 1.00 0.00 C ATOM 728 CG LYS A 82 -36.621 -3.897 6.669 1.00 0.00 C ATOM 729 CD LYS A 82 -35.767 -4.952 7.375 1.00 0.00 C ATOM 730 CE LYS A 82 -36.645 -6.146 7.755 1.00 0.00 C ATOM 731 NZ LYS A 82 -36.410 -6.500 9.185 1.00 0.00 N ATOM 0 H LYS A 82 -36.700 -2.383 3.581 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.311 -1.315 6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -35.024 -3.136 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -35.126 -2.372 7.001 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.376 -3.507 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.152 -4.346 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.956 -5.276 6.722 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.307 -4.526 8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.696 -5.903 7.597 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.415 -6.998 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.006 -7.312 9.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -35.409 -6.748 9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -36.650 -5.687 9.788 1.00 0.00 H new ATOM 745 N MET A 83 -35.557 0.505 6.022 1.00 0.00 N ATOM 746 CA MET A 83 -34.701 1.676 5.679 1.00 0.00 C ATOM 747 C MET A 83 -33.240 1.229 5.579 1.00 0.00 C ATOM 748 O MET A 83 -32.447 1.820 4.875 1.00 0.00 O ATOM 749 CB MET A 83 -34.837 2.742 6.768 1.00 0.00 C ATOM 750 CG MET A 83 -36.295 3.199 6.855 1.00 0.00 C ATOM 751 SD MET A 83 -36.425 4.590 8.005 1.00 0.00 S ATOM 752 CE MET A 83 -35.685 5.844 6.928 1.00 0.00 C ATOM 0 H MET A 83 -36.001 0.545 6.939 1.00 0.00 H new ATOM 0 HA MET A 83 -35.018 2.091 4.723 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.513 2.340 7.728 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.191 3.591 6.544 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.654 3.494 5.869 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.926 2.376 7.191 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.072 6.827 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 83 -34.602 5.835 7.049 1.00 0.00 H new ATOM 0 HE3 MET A 83 -35.936 5.626 5.890 1.00 0.00 H new ATOM 762 N GLU A 84 -32.880 0.188 6.280 1.00 0.00 N ATOM 763 CA GLU A 84 -31.471 -0.295 6.225 1.00 0.00 C ATOM 764 C GLU A 84 -31.178 -0.861 4.834 1.00 0.00 C ATOM 765 O GLU A 84 -30.043 -0.923 4.405 1.00 0.00 O ATOM 766 CB GLU A 84 -31.268 -1.390 7.275 1.00 0.00 C ATOM 767 CG GLU A 84 -29.779 -1.725 7.383 1.00 0.00 C ATOM 768 CD GLU A 84 -29.590 -2.902 8.342 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.583 -3.379 8.866 1.00 0.00 O ATOM 770 OE2 GLU A 84 -28.455 -3.305 8.537 1.00 0.00 O ATOM 0 H GLU A 84 -33.500 -0.348 6.887 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.794 0.535 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.648 -1.057 8.241 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.833 -2.281 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.379 -1.975 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.225 -0.857 7.741 1.00 0.00 H new ATOM 777 N SER A 85 -32.193 -1.274 4.124 1.00 0.00 N ATOM 778 CA SER A 85 -31.970 -1.834 2.760 1.00 0.00 C ATOM 779 C SER A 85 -31.614 -0.702 1.795 1.00 0.00 C ATOM 780 O SER A 85 -30.923 -0.903 0.817 1.00 0.00 O ATOM 781 CB SER A 85 -33.244 -2.533 2.280 1.00 0.00 C ATOM 782 OG SER A 85 -33.628 -3.521 3.225 1.00 0.00 O ATOM 0 H SER A 85 -33.166 -1.248 4.429 1.00 0.00 H new ATOM 0 HA SER A 85 -31.152 -2.553 2.793 1.00 0.00 H new ATOM 0 HB2 SER A 85 -34.045 -1.805 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.074 -2.993 1.306 1.00 0.00 H new ATOM 0 HG SER A 85 -34.445 -3.967 2.918 1.00 0.00 H new ATOM 788 N ALA A 86 -32.081 0.486 2.063 1.00 0.00 N ATOM 789 CA ALA A 86 -31.767 1.628 1.160 1.00 0.00 C ATOM 790 C ALA A 86 -30.361 2.151 1.465 1.00 0.00 C ATOM 791 O ALA A 86 -29.585 2.426 0.573 1.00 0.00 O ATOM 792 CB ALA A 86 -32.786 2.748 1.380 1.00 0.00 C ATOM 0 H ALA A 86 -32.666 0.715 2.867 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.812 1.293 0.124 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.556 3.584 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.787 2.377 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.741 3.082 2.417 1.00 0.00 H new ATOM 798 N ASP A 87 -30.029 2.292 2.719 1.00 0.00 N ATOM 799 CA ASP A 87 -28.674 2.799 3.077 1.00 0.00 C ATOM 800 C ASP A 87 -27.612 1.815 2.586 1.00 0.00 C ATOM 801 O ASP A 87 -26.541 2.202 2.161 1.00 0.00 O ATOM 802 CB ASP A 87 -28.569 2.948 4.596 1.00 0.00 C ATOM 803 CG ASP A 87 -27.281 3.697 4.946 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.617 4.153 4.030 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.980 3.800 6.124 1.00 0.00 O ATOM 0 H ASP A 87 -30.636 2.078 3.510 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.514 3.768 2.605 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.433 3.490 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.572 1.966 5.070 1.00 0.00 H new ATOM 810 N GLN A 88 -27.897 0.545 2.643 1.00 0.00 N ATOM 811 CA GLN A 88 -26.903 -0.464 2.180 1.00 0.00 C ATOM 812 C GLN A 88 -26.775 -0.392 0.658 1.00 0.00 C ATOM 813 O GLN A 88 -25.689 -0.415 0.114 1.00 0.00 O ATOM 814 CB GLN A 88 -27.365 -1.864 2.590 1.00 0.00 C ATOM 815 CG GLN A 88 -26.206 -2.850 2.434 1.00 0.00 C ATOM 816 CD GLN A 88 -26.731 -4.282 2.564 1.00 0.00 C ATOM 817 OE1 GLN A 88 -26.278 -5.172 1.874 1.00 0.00 O ATOM 818 NE2 GLN A 88 -27.676 -4.542 3.426 1.00 0.00 N ATOM 0 H GLN A 88 -28.776 0.161 2.990 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.935 -0.255 2.636 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.713 -1.856 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.207 -2.176 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.727 -2.714 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.448 -2.659 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -28.057 -3.794 4.006 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -28.033 -5.493 3.520 1.00 0.00 H new ATOM 827 N ALA A 89 -27.876 -0.302 -0.030 1.00 0.00 N ATOM 828 CA ALA A 89 -27.821 -0.226 -1.516 1.00 0.00 C ATOM 829 C ALA A 89 -27.185 1.101 -1.932 1.00 0.00 C ATOM 830 O ALA A 89 -26.507 1.189 -2.936 1.00 0.00 O ATOM 831 CB ALA A 89 -29.239 -0.316 -2.086 1.00 0.00 C ATOM 0 H ALA A 89 -28.813 -0.278 0.372 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.224 -1.053 -1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.198 -0.260 -3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.692 -1.262 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.838 0.510 -1.703 1.00 0.00 H new ATOM 837 N VAL A 90 -27.397 2.136 -1.165 1.00 0.00 N ATOM 838 CA VAL A 90 -26.803 3.457 -1.512 1.00 0.00 C ATOM 839 C VAL A 90 -25.293 3.414 -1.274 1.00 0.00 C ATOM 840 O VAL A 90 -24.534 4.112 -1.915 1.00 0.00 O ATOM 841 CB VAL A 90 -27.425 4.542 -0.631 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.706 5.871 -0.876 1.00 0.00 C ATOM 843 CG2 VAL A 90 -28.908 4.693 -0.974 1.00 0.00 C ATOM 0 H VAL A 90 -27.957 2.123 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.001 3.681 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.323 4.261 0.417 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.148 6.645 -0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.650 5.764 -0.630 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.807 6.152 -1.924 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.350 5.466 -0.346 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.012 4.974 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.420 3.747 -0.799 1.00 0.00 H new ATOM 853 N ALA A 91 -24.850 2.601 -0.355 1.00 0.00 N ATOM 854 CA ALA A 91 -23.389 2.517 -0.076 1.00 0.00 C ATOM 855 C ALA A 91 -22.717 1.628 -1.126 1.00 0.00 C ATOM 856 O ALA A 91 -21.539 1.754 -1.396 1.00 0.00 O ATOM 857 CB ALA A 91 -23.169 1.919 1.314 1.00 0.00 C ATOM 0 H ALA A 91 -25.437 1.991 0.215 1.00 0.00 H new ATOM 0 HA ALA A 91 -22.955 3.516 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.100 1.857 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.646 2.552 2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.604 0.920 1.354 1.00 0.00 H new ATOM 863 N GLU A 92 -23.456 0.730 -1.719 1.00 0.00 N ATOM 864 CA GLU A 92 -22.853 -0.165 -2.746 1.00 0.00 C ATOM 865 C GLU A 92 -23.273 0.299 -4.142 1.00 0.00 C ATOM 866 O GLU A 92 -22.449 0.505 -5.012 1.00 0.00 O ATOM 867 CB GLU A 92 -23.336 -1.600 -2.521 1.00 0.00 C ATOM 868 CG GLU A 92 -22.595 -2.541 -3.472 1.00 0.00 C ATOM 869 CD GLU A 92 -23.064 -3.978 -3.235 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.812 -4.190 -2.295 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.667 -4.843 -3.999 1.00 0.00 O ATOM 0 H GLU A 92 -24.448 0.578 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.767 -0.129 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.159 -1.897 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.411 -1.665 -2.692 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.782 -2.252 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.520 -2.467 -3.310 1.00 0.00 H new ATOM 878 N LEU A 93 -24.548 0.464 -4.366 1.00 0.00 N ATOM 879 CA LEU A 93 -25.016 0.913 -5.708 1.00 0.00 C ATOM 880 C LEU A 93 -24.409 2.279 -6.035 1.00 0.00 C ATOM 881 O LEU A 93 -24.168 2.603 -7.181 1.00 0.00 O ATOM 882 CB LEU A 93 -26.542 1.020 -5.707 1.00 0.00 C ATOM 883 CG LEU A 93 -27.149 -0.355 -5.423 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.655 -0.315 -5.694 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.496 -1.399 -6.331 1.00 0.00 C ATOM 0 H LEU A 93 -25.285 0.308 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.702 0.189 -6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.867 1.736 -4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.892 1.392 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.974 -0.620 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.087 -1.295 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.121 0.428 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.830 -0.050 -6.737 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.929 -2.379 -6.129 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.670 -1.134 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.424 -1.429 -6.138 1.00 0.00 H new ATOM 897 N ASN A 94 -24.158 3.083 -5.039 1.00 0.00 N ATOM 898 CA ASN A 94 -23.568 4.426 -5.298 1.00 0.00 C ATOM 899 C ASN A 94 -22.103 4.269 -5.709 1.00 0.00 C ATOM 900 O ASN A 94 -21.343 3.561 -5.079 1.00 0.00 O ATOM 901 CB ASN A 94 -23.653 5.275 -4.027 1.00 0.00 C ATOM 902 CG ASN A 94 -23.162 6.693 -4.325 1.00 0.00 C ATOM 903 OD1 ASN A 94 -22.058 7.054 -3.967 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.941 7.519 -4.969 1.00 0.00 N ATOM 0 H ASN A 94 -24.336 2.868 -4.058 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.120 4.916 -6.100 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.681 5.304 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.049 4.828 -3.238 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.623 8.467 -5.172 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -24.868 7.217 -5.270 1.00 0.00 H new ATOM 911 N GLY A 95 -21.700 4.926 -6.762 1.00 0.00 N ATOM 912 CA GLY A 95 -20.284 4.815 -7.214 1.00 0.00 C ATOM 913 C GLY A 95 -20.106 3.527 -8.021 1.00 0.00 C ATOM 914 O GLY A 95 -19.142 2.807 -7.854 1.00 0.00 O ATOM 0 H GLY A 95 -22.290 5.535 -7.329 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.017 5.678 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.615 4.813 -6.353 1.00 0.00 H new ATOM 918 N THR A 96 -21.030 3.230 -8.894 1.00 0.00 N ATOM 919 CA THR A 96 -20.914 1.990 -9.710 1.00 0.00 C ATOM 920 C THR A 96 -20.921 2.356 -11.196 1.00 0.00 C ATOM 921 O THR A 96 -21.317 3.439 -11.576 1.00 0.00 O ATOM 922 CB THR A 96 -22.096 1.066 -9.407 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.280 1.618 -9.963 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.259 0.926 -7.892 1.00 0.00 C ATOM 0 H THR A 96 -21.860 3.794 -9.077 1.00 0.00 H new ATOM 0 HA THR A 96 -19.983 1.480 -9.465 1.00 0.00 H new ATOM 0 HB THR A 96 -21.913 0.084 -9.843 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.811 2.035 -9.253 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.101 0.268 -7.676 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.349 0.503 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.443 1.907 -7.454 1.00 0.00 H new ATOM 932 N GLN A 97 -20.486 1.460 -12.040 1.00 0.00 N ATOM 933 CA GLN A 97 -20.468 1.758 -13.500 1.00 0.00 C ATOM 934 C GLN A 97 -21.027 0.562 -14.273 1.00 0.00 C ATOM 935 O GLN A 97 -21.162 -0.523 -13.744 1.00 0.00 O ATOM 936 CB GLN A 97 -19.031 2.030 -13.948 1.00 0.00 C ATOM 937 CG GLN A 97 -19.026 2.426 -15.427 1.00 0.00 C ATOM 938 CD GLN A 97 -17.606 2.817 -15.845 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.718 2.898 -15.020 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.354 3.064 -17.102 1.00 0.00 N ATOM 0 H GLN A 97 -20.143 0.535 -11.781 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.082 2.636 -13.698 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.595 2.827 -13.345 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.417 1.143 -13.796 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.381 1.596 -16.038 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.708 3.259 -15.594 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.100 2.996 -17.795 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.411 3.325 -17.391 1.00 0.00 H new ATOM 949 N VAL A 98 -21.353 0.752 -15.522 1.00 0.00 N ATOM 950 CA VAL A 98 -21.903 -0.375 -16.331 1.00 0.00 C ATOM 951 C VAL A 98 -21.022 -0.589 -17.560 1.00 0.00 C ATOM 952 O VAL A 98 -19.922 -0.076 -17.645 1.00 0.00 O ATOM 953 CB VAL A 98 -23.332 -0.052 -16.793 1.00 0.00 C ATOM 954 CG1 VAL A 98 -24.241 -1.249 -16.506 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.867 1.179 -16.052 1.00 0.00 C ATOM 0 H VAL A 98 -21.263 1.639 -16.018 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.920 -1.275 -15.717 1.00 0.00 H new ATOM 0 HB VAL A 98 -23.318 0.157 -17.863 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -25.256 -1.022 -16.833 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.873 -2.123 -17.044 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.243 -1.456 -15.436 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.880 1.395 -16.390 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.876 0.983 -14.980 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.225 2.035 -16.258 1.00 0.00 H new ATOM 965 N GLU A 99 -21.496 -1.334 -18.521 1.00 0.00 N ATOM 966 CA GLU A 99 -20.685 -1.569 -19.746 1.00 0.00 C ATOM 967 C GLU A 99 -20.190 -0.224 -20.281 1.00 0.00 C ATOM 968 O GLU A 99 -19.208 -0.150 -20.993 1.00 0.00 O ATOM 969 CB GLU A 99 -21.547 -2.258 -20.806 1.00 0.00 C ATOM 970 CG GLU A 99 -21.971 -3.639 -20.300 1.00 0.00 C ATOM 971 CD GLU A 99 -20.728 -4.494 -20.048 1.00 0.00 C ATOM 972 OE1 GLU A 99 -19.664 -4.106 -20.501 1.00 0.00 O ATOM 973 OE2 GLU A 99 -20.861 -5.523 -19.406 1.00 0.00 O ATOM 0 H GLU A 99 -22.409 -1.789 -18.510 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.833 -2.206 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -22.427 -1.653 -21.024 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.989 -2.356 -21.737 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -22.549 -3.540 -19.381 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -22.617 -4.124 -21.032 1.00 0.00 H new ATOM 980 N SER A 100 -20.862 0.842 -19.937 1.00 0.00 N ATOM 981 CA SER A 100 -20.431 2.184 -20.419 1.00 0.00 C ATOM 982 C SER A 100 -21.384 3.252 -19.877 1.00 0.00 C ATOM 983 O SER A 100 -21.649 4.246 -20.522 1.00 0.00 O ATOM 984 CB SER A 100 -20.451 2.209 -21.948 1.00 0.00 C ATOM 985 OG SER A 100 -21.790 2.336 -22.402 1.00 0.00 O ATOM 0 H SER A 100 -21.691 0.840 -19.343 1.00 0.00 H new ATOM 0 HA SER A 100 -19.420 2.388 -20.067 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.850 3.041 -22.317 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.007 1.295 -22.343 1.00 0.00 H new ATOM 0 HG SER A 100 -22.145 3.209 -22.133 1.00 0.00 H new ATOM 991 N VAL A 101 -21.902 3.053 -18.696 1.00 0.00 N ATOM 992 CA VAL A 101 -22.837 4.056 -18.112 1.00 0.00 C ATOM 993 C VAL A 101 -22.519 4.240 -16.625 1.00 0.00 C ATOM 994 O VAL A 101 -21.801 3.459 -16.033 1.00 0.00 O ATOM 995 CB VAL A 101 -24.276 3.561 -18.268 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.221 4.483 -17.496 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.659 3.562 -19.750 1.00 0.00 C ATOM 0 H VAL A 101 -21.718 2.239 -18.110 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.722 5.008 -18.630 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.355 2.548 -17.873 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.246 4.130 -17.608 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.949 4.481 -16.440 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.142 5.497 -17.889 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.684 3.209 -19.861 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.579 4.574 -20.146 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.987 2.903 -20.300 1.00 0.00 H new ATOM 1007 N GLN A 102 -23.048 5.268 -16.018 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.774 5.498 -14.571 1.00 0.00 C ATOM 1009 C GLN A 102 -24.098 5.654 -13.819 1.00 0.00 C ATOM 1010 O GLN A 102 -24.960 6.415 -14.211 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.940 6.770 -14.406 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.567 6.566 -15.048 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.714 7.818 -14.841 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.228 8.872 -14.524 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.421 7.749 -15.008 1.00 0.00 N ATOM 0 H GLN A 102 -23.657 5.957 -16.460 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.225 4.648 -14.166 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.449 7.614 -14.871 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.827 7.009 -13.349 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.073 5.700 -14.607 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.679 6.362 -16.113 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.988 6.865 -15.274 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.844 8.579 -14.872 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.265 4.937 -12.741 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.533 5.043 -11.966 1.00 0.00 C ATOM 1026 C LEU A 103 -25.337 6.006 -10.795 1.00 0.00 C ATOM 1027 O LEU A 103 -24.237 6.209 -10.321 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.917 3.662 -11.429 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.430 3.601 -11.212 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.991 2.343 -11.880 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.729 3.557 -9.713 1.00 0.00 C ATOM 0 H LEU A 103 -23.579 4.283 -12.364 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.325 5.416 -12.615 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.608 2.888 -12.132 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.396 3.467 -10.491 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.895 4.484 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.069 2.299 -11.726 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.778 2.373 -12.949 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.526 1.460 -11.442 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.807 3.514 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.264 2.674 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.330 4.452 -9.236 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.398 6.601 -10.320 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.274 7.548 -9.178 1.00 0.00 C ATOM 1045 C LYS A 104 -27.406 7.287 -8.182 1.00 0.00 C ATOM 1046 O LYS A 104 -28.528 7.015 -8.561 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.366 8.985 -9.694 1.00 0.00 C ATOM 1048 CG LYS A 104 -25.132 9.302 -10.543 1.00 0.00 C ATOM 1049 CD LYS A 104 -25.182 10.765 -10.988 1.00 0.00 C ATOM 1050 CE LYS A 104 -24.088 11.022 -12.026 1.00 0.00 C ATOM 1051 NZ LYS A 104 -22.858 11.512 -11.340 1.00 0.00 N ATOM 0 H LYS A 104 -27.345 6.471 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.313 7.404 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.271 9.112 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.433 9.680 -8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.224 9.116 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.098 8.647 -11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -26.160 10.994 -11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -25.044 11.422 -10.129 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.871 10.106 -12.575 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.429 11.758 -12.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -22.114 11.687 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -23.071 12.396 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.530 10.795 -10.661 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.121 7.363 -6.911 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.184 7.113 -5.896 1.00 0.00 C ATOM 1067 C VAL A 105 -28.365 8.355 -5.023 1.00 0.00 C ATOM 1068 O VAL A 105 -27.409 8.977 -4.603 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.777 5.928 -5.018 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -28.879 5.652 -3.993 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.574 4.689 -5.893 1.00 0.00 C ATOM 0 H VAL A 105 -26.201 7.587 -6.532 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.123 6.889 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 105 -26.847 6.163 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.590 4.808 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.025 6.534 -3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -29.808 5.417 -4.512 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.284 3.845 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.503 4.454 -6.412 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.790 4.885 -6.624 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.586 8.720 -4.746 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.834 9.920 -3.899 1.00 0.00 C ATOM 1083 C ASN A 106 -30.951 9.611 -2.900 1.00 0.00 C ATOM 1084 O ASN A 106 -31.593 8.581 -2.972 1.00 0.00 O ATOM 1085 CB ASN A 106 -30.253 11.095 -4.784 1.00 0.00 C ATOM 1086 CG ASN A 106 -29.131 11.415 -5.775 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.383 11.646 -6.941 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.895 11.440 -5.357 1.00 0.00 N ATOM 0 H ASN A 106 -30.424 8.238 -5.070 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.923 10.180 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -31.169 10.850 -5.322 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.469 11.968 -4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.140 11.654 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.684 11.246 -4.378 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.190 10.492 -1.969 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.265 10.244 -0.968 1.00 0.00 C ATOM 1097 C ILE A 107 -33.446 11.177 -1.244 1.00 0.00 C ATOM 1098 O ILE A 107 -33.277 12.361 -1.453 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.725 10.509 0.438 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.451 9.692 0.659 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.777 10.104 1.471 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.857 10.034 2.028 1.00 0.00 C ATOM 0 H ILE A 107 -30.688 11.373 -1.858 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.596 9.208 -1.041 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.498 11.570 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.675 8.627 0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.727 9.907 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.394 10.292 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.684 10.687 1.314 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.004 9.043 1.363 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -28.949 9.452 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.618 11.097 2.066 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.580 9.797 2.808 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.641 10.652 -1.243 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.830 11.511 -1.501 1.00 0.00 C ATOM 1116 C ALA A 108 -35.987 12.516 -0.360 1.00 0.00 C ATOM 1117 O ALA A 108 -36.390 13.644 -0.563 1.00 0.00 O ATOM 1118 CB ALA A 108 -37.083 10.636 -1.588 1.00 0.00 C ATOM 0 H ALA A 108 -34.845 9.667 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.696 12.046 -2.441 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.953 11.265 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.970 9.919 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.219 10.101 -0.648 1.00 0.00 H new