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 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 106 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.91) USER MOD Set 2.1: A 41 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 40 ASN : amide:sc= -4.49! C(o=-5.3!,f=-11!) USER MOD Set 3.2: A 83 MET CE :methyl -131:sc= -0.857 (180deg=-1.06) USER MOD Single : A 43 TYR OH : rot -143:sc= 0.0621 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -152:sc= -3.71 (180deg=-6.32!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.12 K(o=0.12,f=-1.8!) USER MOD Single : A 68 SER OG : rot -73:sc= -0.69! USER MOD Single : A 69 MET CE :methyl -116:sc= -0.128 (180deg=-0.611) USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 75 CYS SG : rot 96:sc= 0.264 USER MOD Single : A 80 TYR OH : rot -99:sc= -5.33! USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.254 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 94 ASN : amide:sc= -0.331 K(o=-0.33,f=-3.4!) USER MOD Single : A 96 THR OG1 : rot -73:sc= 1.26 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -39.146 3.201 2.252 1.00 0.00 N ATOM 79 CA ASN A 40 -37.928 4.028 2.017 1.00 0.00 C ATOM 80 C ASN A 40 -37.680 4.153 0.513 1.00 0.00 C ATOM 81 O ASN A 40 -36.945 3.382 -0.071 1.00 0.00 O ATOM 82 CB ASN A 40 -36.722 3.359 2.680 1.00 0.00 C ATOM 83 CG ASN A 40 -35.535 4.325 2.672 1.00 0.00 C ATOM 84 OD1 ASN A 40 -34.564 4.108 1.976 1.00 0.00 O ATOM 85 ND2 ASN A 40 -35.575 5.392 3.424 1.00 0.00 N ATOM 0 HA ASN A 40 -38.073 5.020 2.445 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.967 3.075 3.704 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.463 2.443 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -34.790 6.044 3.427 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -36.391 5.574 4.008 1.00 0.00 H new ATOM 92 N THR A 41 -38.290 5.118 -0.120 1.00 0.00 N ATOM 93 CA THR A 41 -38.088 5.291 -1.586 1.00 0.00 C ATOM 94 C THR A 41 -36.617 5.608 -1.865 1.00 0.00 C ATOM 95 O THR A 41 -35.987 6.359 -1.148 1.00 0.00 O ATOM 96 CB THR A 41 -38.962 6.443 -2.088 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.309 6.219 -1.697 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.877 6.520 -3.613 1.00 0.00 C ATOM 0 H THR A 41 -38.919 5.793 0.315 1.00 0.00 H new ATOM 0 HA THR A 41 -38.365 4.372 -2.102 1.00 0.00 H new ATOM 0 HB THR A 41 -38.611 7.381 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.869 6.957 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.499 7.340 -3.971 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.843 6.692 -3.912 1.00 0.00 H new ATOM 0 HG23 THR A 41 -39.228 5.583 -4.045 1.00 0.00 H new ATOM 106 N LEU A 42 -36.065 5.040 -2.902 1.00 0.00 N ATOM 107 CA LEU A 42 -34.636 5.309 -3.226 1.00 0.00 C ATOM 108 C LEU A 42 -34.545 6.009 -4.583 1.00 0.00 C ATOM 109 O LEU A 42 -35.178 5.611 -5.542 1.00 0.00 O ATOM 110 CB LEU A 42 -33.867 3.988 -3.281 1.00 0.00 C ATOM 111 CG LEU A 42 -33.945 3.294 -1.919 1.00 0.00 C ATOM 112 CD1 LEU A 42 -33.107 2.014 -1.950 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.404 4.231 -0.837 1.00 0.00 C ATOM 0 H LEU A 42 -36.542 4.401 -3.539 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.203 5.949 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -34.286 3.343 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.826 4.172 -3.548 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.983 3.044 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -33.162 1.519 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -33.492 1.346 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -32.069 2.264 -2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.459 3.737 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.366 4.481 -1.058 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -34.000 5.143 -0.814 1.00 0.00 H new ATOM 125 N TYR A 43 -33.763 7.049 -4.673 1.00 0.00 N ATOM 126 CA TYR A 43 -33.632 7.775 -5.968 1.00 0.00 C ATOM 127 C TYR A 43 -32.558 7.100 -6.825 1.00 0.00 C ATOM 128 O TYR A 43 -31.415 6.989 -6.430 1.00 0.00 O ATOM 129 CB TYR A 43 -33.233 9.226 -5.698 1.00 0.00 C ATOM 130 CG TYR A 43 -33.094 9.964 -7.009 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.213 10.569 -7.594 1.00 0.00 C ATOM 132 CD2 TYR A 43 -31.845 10.045 -7.638 1.00 0.00 C ATOM 133 CE1 TYR A 43 -34.084 11.254 -8.808 1.00 0.00 C ATOM 134 CE2 TYR A 43 -31.716 10.730 -8.852 1.00 0.00 C ATOM 135 CZ TYR A 43 -32.836 11.334 -9.437 1.00 0.00 C ATOM 136 OH TYR A 43 -32.709 12.010 -10.633 1.00 0.00 O ATOM 0 H TYR A 43 -33.209 7.428 -3.905 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.585 7.752 -6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -33.984 9.710 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.292 9.259 -5.149 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.176 10.507 -7.109 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -30.982 9.579 -7.186 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -34.947 11.721 -9.259 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -30.753 10.793 -9.337 1.00 0.00 H new ATOM 0 HH TYR A 43 -32.068 11.541 -11.207 1.00 0.00 H new ATOM 146 N VAL A 44 -32.917 6.650 -7.996 1.00 0.00 N ATOM 147 CA VAL A 44 -31.917 5.984 -8.878 1.00 0.00 C ATOM 148 C VAL A 44 -31.783 6.771 -10.183 1.00 0.00 C ATOM 149 O VAL A 44 -32.763 7.163 -10.786 1.00 0.00 O ATOM 150 CB VAL A 44 -32.378 4.558 -9.186 1.00 0.00 C ATOM 151 CG1 VAL A 44 -31.333 3.862 -10.060 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.547 3.781 -7.879 1.00 0.00 C ATOM 0 H VAL A 44 -33.860 6.715 -8.380 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.951 5.952 -8.373 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.331 4.592 -9.714 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.661 2.846 -10.280 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -31.212 4.414 -10.992 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.380 3.829 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.875 2.765 -8.099 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.595 3.748 -7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.292 4.276 -7.255 1.00 0.00 H new ATOM 162 N TYR A 45 -30.577 7.004 -10.626 1.00 0.00 N ATOM 163 CA TYR A 45 -30.384 7.766 -11.893 1.00 0.00 C ATOM 164 C TYR A 45 -29.353 7.048 -12.766 1.00 0.00 C ATOM 165 O TYR A 45 -28.424 6.439 -12.273 1.00 0.00 O ATOM 166 CB TYR A 45 -29.885 9.175 -11.570 1.00 0.00 C ATOM 167 CG TYR A 45 -29.812 9.987 -12.842 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.970 10.578 -13.362 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.587 10.148 -13.501 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.902 11.330 -14.541 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.520 10.899 -14.681 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.677 11.490 -15.200 1.00 0.00 C ATOM 173 OH TYR A 45 -29.611 12.232 -16.363 1.00 0.00 O ATOM 0 H TYR A 45 -29.719 6.700 -10.166 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.332 7.830 -12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.555 9.655 -10.857 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.903 9.126 -11.100 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.915 10.454 -12.854 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.694 9.693 -13.099 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.795 11.787 -14.942 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.576 11.022 -15.190 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.688 12.244 -16.691 1.00 0.00 H new ATOM 183 N GLY A 46 -29.508 7.114 -14.060 1.00 0.00 N ATOM 184 CA GLY A 46 -28.537 6.436 -14.963 1.00 0.00 C ATOM 185 C GLY A 46 -29.098 6.401 -16.385 1.00 0.00 C ATOM 186 O GLY A 46 -30.252 6.704 -16.615 1.00 0.00 O ATOM 0 H GLY A 46 -30.266 7.609 -14.531 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.583 6.964 -14.950 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.345 5.422 -14.612 1.00 0.00 H new ATOM 190 N GLU A 47 -28.290 6.035 -17.344 1.00 0.00 N ATOM 191 CA GLU A 47 -28.778 5.982 -18.750 1.00 0.00 C ATOM 192 C GLU A 47 -29.178 4.546 -19.098 1.00 0.00 C ATOM 193 O GLU A 47 -28.659 3.596 -18.546 1.00 0.00 O ATOM 194 CB GLU A 47 -27.666 6.443 -19.693 1.00 0.00 C ATOM 195 CG GLU A 47 -26.569 5.378 -19.748 1.00 0.00 C ATOM 196 CD GLU A 47 -25.401 5.894 -20.590 1.00 0.00 C ATOM 197 OE1 GLU A 47 -25.497 7.007 -21.082 1.00 0.00 O ATOM 198 OE2 GLU A 47 -24.431 5.169 -20.730 1.00 0.00 O ATOM 0 H GLU A 47 -27.314 5.771 -17.213 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.643 6.637 -18.859 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -28.069 6.617 -20.691 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -27.251 7.390 -19.348 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -26.228 5.139 -18.741 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.962 4.457 -20.178 1.00 0.00 H new ATOM 205 N ASP A 48 -30.096 4.381 -20.010 1.00 0.00 N ATOM 206 CA ASP A 48 -30.527 3.006 -20.393 1.00 0.00 C ATOM 207 C ASP A 48 -30.761 2.174 -19.129 1.00 0.00 C ATOM 208 O ASP A 48 -30.150 1.142 -18.932 1.00 0.00 O ATOM 209 CB ASP A 48 -29.438 2.348 -21.242 1.00 0.00 C ATOM 210 CG ASP A 48 -29.270 3.126 -22.548 1.00 0.00 C ATOM 211 OD1 ASP A 48 -30.154 3.902 -22.872 1.00 0.00 O ATOM 212 OD2 ASP A 48 -28.259 2.933 -23.203 1.00 0.00 O ATOM 0 H ASP A 48 -30.566 5.138 -20.506 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.451 3.062 -20.968 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -28.496 2.329 -20.694 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -29.704 1.312 -21.455 1.00 0.00 H new ATOM 217 N MET A 49 -31.643 2.614 -18.272 1.00 0.00 N ATOM 218 CA MET A 49 -31.915 1.847 -17.024 1.00 0.00 C ATOM 219 C MET A 49 -33.259 1.126 -17.150 1.00 0.00 C ATOM 220 O MET A 49 -34.205 1.651 -17.701 1.00 0.00 O ATOM 221 CB MET A 49 -31.962 2.807 -15.835 1.00 0.00 C ATOM 222 CG MET A 49 -30.569 3.394 -15.597 1.00 0.00 C ATOM 223 SD MET A 49 -30.567 4.342 -14.056 1.00 0.00 S ATOM 224 CE MET A 49 -31.899 5.487 -14.495 1.00 0.00 C ATOM 0 H MET A 49 -32.186 3.470 -18.383 1.00 0.00 H new ATOM 0 HA MET A 49 -31.123 1.115 -16.869 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.677 3.607 -16.028 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.304 2.282 -14.943 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.830 2.594 -15.545 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.286 4.036 -16.431 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.759 6.429 -13.965 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.883 5.669 -15.570 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.859 5.053 -14.215 1.00 0.00 H new ATOM 234 N THR A 50 -33.350 -0.074 -16.644 1.00 0.00 N ATOM 235 CA THR A 50 -34.633 -0.826 -16.736 1.00 0.00 C ATOM 236 C THR A 50 -35.121 -1.177 -15.328 1.00 0.00 C ATOM 237 O THR A 50 -34.363 -1.169 -14.379 1.00 0.00 O ATOM 238 CB THR A 50 -34.415 -2.111 -17.537 1.00 0.00 C ATOM 239 OG1 THR A 50 -33.022 -2.371 -17.643 1.00 0.00 O ATOM 240 CG2 THR A 50 -35.015 -1.949 -18.936 1.00 0.00 C ATOM 0 H THR A 50 -32.592 -0.565 -16.171 1.00 0.00 H new ATOM 0 HA THR A 50 -35.380 -0.210 -17.236 1.00 0.00 H new ATOM 0 HB THR A 50 -34.902 -2.944 -17.029 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.881 -3.195 -18.154 1.00 0.00 H new ATOM 0 HG21 THR A 50 -34.860 -2.865 -19.507 1.00 0.00 H new ATOM 0 HG22 THR A 50 -36.083 -1.750 -18.853 1.00 0.00 H new ATOM 0 HG23 THR A 50 -34.530 -1.117 -19.446 1.00 0.00 H new ATOM 248 N PRO A 51 -36.419 -1.490 -15.198 1.00 0.00 N ATOM 249 CA PRO A 51 -37.024 -1.845 -13.908 1.00 0.00 C ATOM 250 C PRO A 51 -36.554 -3.216 -13.410 1.00 0.00 C ATOM 251 O PRO A 51 -36.027 -3.343 -12.323 1.00 0.00 O ATOM 252 CB PRO A 51 -38.521 -1.881 -14.213 1.00 0.00 C ATOM 253 CG PRO A 51 -38.605 -2.161 -15.677 1.00 0.00 C ATOM 254 CD PRO A 51 -37.397 -1.520 -16.300 1.00 0.00 C ATOM 0 HA PRO A 51 -36.752 -1.140 -13.123 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -39.024 -2.654 -13.633 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.999 -0.933 -13.963 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -38.617 -3.234 -15.867 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -39.523 -1.752 -16.099 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -37.029 -2.097 -17.148 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.619 -0.518 -16.668 1.00 0.00 H new ATOM 262 N THR A 52 -36.742 -4.244 -14.194 1.00 0.00 N ATOM 263 CA THR A 52 -36.305 -5.600 -13.756 1.00 0.00 C ATOM 264 C THR A 52 -34.797 -5.590 -13.502 1.00 0.00 C ATOM 265 O THR A 52 -34.306 -6.233 -12.594 1.00 0.00 O ATOM 266 CB THR A 52 -36.633 -6.622 -14.848 1.00 0.00 C ATOM 267 OG1 THR A 52 -37.455 -6.013 -15.834 1.00 0.00 O ATOM 268 CG2 THR A 52 -37.370 -7.811 -14.230 1.00 0.00 C ATOM 0 H THR A 52 -37.178 -4.203 -15.115 1.00 0.00 H new ATOM 0 HA THR A 52 -36.827 -5.871 -12.839 1.00 0.00 H new ATOM 0 HB THR A 52 -35.709 -6.970 -15.310 1.00 0.00 H new ATOM 0 HG1 THR A 52 -37.664 -6.666 -16.534 1.00 0.00 H new ATOM 0 HG21 THR A 52 -37.603 -8.538 -15.007 1.00 0.00 H new ATOM 0 HG22 THR A 52 -36.738 -8.278 -13.474 1.00 0.00 H new ATOM 0 HG23 THR A 52 -38.294 -7.465 -13.767 1.00 0.00 H new ATOM 276 N LEU A 53 -34.060 -4.864 -14.294 1.00 0.00 N ATOM 277 CA LEU A 53 -32.585 -4.809 -14.096 1.00 0.00 C ATOM 278 C LEU A 53 -32.281 -4.164 -12.743 1.00 0.00 C ATOM 279 O LEU A 53 -31.436 -4.624 -11.999 1.00 0.00 O ATOM 280 CB LEU A 53 -31.950 -3.978 -15.213 1.00 0.00 C ATOM 281 CG LEU A 53 -30.428 -4.114 -15.149 1.00 0.00 C ATOM 282 CD1 LEU A 53 -30.029 -5.547 -15.509 1.00 0.00 C ATOM 283 CD2 LEU A 53 -29.787 -3.142 -16.140 1.00 0.00 C ATOM 0 H LEU A 53 -34.415 -4.306 -15.070 1.00 0.00 H new ATOM 0 HA LEU A 53 -32.175 -5.819 -14.120 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -32.315 -4.314 -16.183 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -32.237 -2.931 -15.110 1.00 0.00 H new ATOM 0 HG LEU A 53 -30.084 -3.883 -14.141 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -28.944 -5.645 -15.464 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -30.486 -6.240 -14.803 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -30.372 -5.778 -16.517 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -28.702 -3.239 -16.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -30.130 -3.372 -17.149 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -30.071 -2.121 -15.884 1.00 0.00 H new ATOM 295 N LEU A 54 -32.967 -3.102 -12.416 1.00 0.00 N ATOM 296 CA LEU A 54 -32.721 -2.430 -11.110 1.00 0.00 C ATOM 297 C LEU A 54 -33.163 -3.355 -9.975 1.00 0.00 C ATOM 298 O LEU A 54 -32.519 -3.443 -8.948 1.00 0.00 O ATOM 299 CB LEU A 54 -33.518 -1.127 -11.048 1.00 0.00 C ATOM 300 CG LEU A 54 -33.028 -0.177 -12.143 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.149 0.798 -12.512 1.00 0.00 C ATOM 302 CD2 LEU A 54 -31.817 0.607 -11.635 1.00 0.00 C ATOM 0 H LEU A 54 -33.686 -2.672 -12.997 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.659 -2.208 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.581 -1.332 -11.178 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.400 -0.662 -10.069 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.744 -0.754 -13.023 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.800 1.475 -13.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -35.012 0.240 -12.875 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -34.434 1.375 -11.632 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -31.468 1.284 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -32.100 1.184 -10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.018 -0.087 -11.373 1.00 0.00 H new ATOM 314 N ARG A 55 -34.255 -4.047 -10.150 1.00 0.00 N ATOM 315 CA ARG A 55 -34.733 -4.966 -9.080 1.00 0.00 C ATOM 316 C ARG A 55 -33.630 -5.972 -8.750 1.00 0.00 C ATOM 317 O ARG A 55 -33.437 -6.344 -7.610 1.00 0.00 O ATOM 318 CB ARG A 55 -35.978 -5.713 -9.564 1.00 0.00 C ATOM 319 CG ARG A 55 -36.520 -6.586 -8.430 1.00 0.00 C ATOM 320 CD ARG A 55 -37.693 -7.422 -8.944 1.00 0.00 C ATOM 321 NE ARG A 55 -38.333 -8.134 -7.803 1.00 0.00 N ATOM 322 CZ ARG A 55 -39.391 -8.872 -8.004 1.00 0.00 C ATOM 323 NH1 ARG A 55 -39.492 -9.586 -9.091 1.00 0.00 N ATOM 324 NH2 ARG A 55 -40.348 -8.895 -7.117 1.00 0.00 N ATOM 0 H ARG A 55 -34.836 -4.016 -10.987 1.00 0.00 H new ATOM 0 HA ARG A 55 -34.982 -4.390 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -36.739 -5.003 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.732 -6.331 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -35.733 -7.239 -8.052 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.843 -5.960 -7.598 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -38.421 -6.780 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -37.344 -8.141 -9.685 1.00 0.00 H new ATOM 0 HE ARG A 55 -37.944 -8.045 -6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -38.744 -9.568 -9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -40.319 -10.162 -9.248 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -40.269 -8.337 -6.267 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -41.175 -9.471 -7.274 1.00 0.00 H new ATOM 338 N GLY A 56 -32.900 -6.412 -9.738 1.00 0.00 N ATOM 339 CA GLY A 56 -31.807 -7.391 -9.479 1.00 0.00 C ATOM 340 C GLY A 56 -30.671 -6.694 -8.729 1.00 0.00 C ATOM 341 O GLY A 56 -30.062 -7.255 -7.842 1.00 0.00 O ATOM 0 H GLY A 56 -33.013 -6.136 -10.713 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -32.185 -8.229 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -31.439 -7.800 -10.420 1.00 0.00 H new ATOM 345 N ALA A 57 -30.386 -5.471 -9.081 1.00 0.00 N ATOM 346 CA ALA A 57 -29.292 -4.733 -8.389 1.00 0.00 C ATOM 347 C ALA A 57 -29.779 -4.284 -7.010 1.00 0.00 C ATOM 348 O ALA A 57 -29.014 -4.179 -6.073 1.00 0.00 O ATOM 349 CB ALA A 57 -28.901 -3.507 -9.217 1.00 0.00 C ATOM 0 H ALA A 57 -30.863 -4.951 -9.817 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.426 -5.385 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.101 -2.967 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.558 -3.827 -10.201 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -29.766 -2.853 -9.329 1.00 0.00 H new ATOM 355 N PHE A 58 -31.051 -4.024 -6.880 1.00 0.00 N ATOM 356 CA PHE A 58 -31.595 -3.587 -5.563 1.00 0.00 C ATOM 357 C PHE A 58 -32.242 -4.782 -4.858 1.00 0.00 C ATOM 358 O PHE A 58 -32.695 -4.683 -3.735 1.00 0.00 O ATOM 359 CB PHE A 58 -32.645 -2.496 -5.784 1.00 0.00 C ATOM 360 CG PHE A 58 -31.956 -1.191 -6.110 1.00 0.00 C ATOM 361 CD1 PHE A 58 -31.528 -0.932 -7.417 1.00 0.00 C ATOM 362 CD2 PHE A 58 -31.749 -0.239 -5.104 1.00 0.00 C ATOM 363 CE1 PHE A 58 -30.891 0.277 -7.719 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.113 0.970 -5.406 1.00 0.00 C ATOM 365 CZ PHE A 58 -30.684 1.229 -6.713 1.00 0.00 C ATOM 0 H PHE A 58 -31.738 -4.095 -7.630 1.00 0.00 H new ATOM 0 HA PHE A 58 -30.786 -3.195 -4.946 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.314 -2.779 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.260 -2.382 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -31.689 -1.666 -8.193 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.080 -0.438 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -30.559 0.476 -8.727 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -30.953 1.704 -4.630 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.194 2.163 -6.946 1.00 0.00 H new ATOM 375 N SER A 59 -32.290 -5.911 -5.511 1.00 0.00 N ATOM 376 CA SER A 59 -32.907 -7.114 -4.889 1.00 0.00 C ATOM 377 C SER A 59 -32.067 -7.579 -3.695 1.00 0.00 C ATOM 378 O SER A 59 -32.577 -7.762 -2.607 1.00 0.00 O ATOM 379 CB SER A 59 -32.982 -8.238 -5.925 1.00 0.00 C ATOM 380 OG SER A 59 -32.808 -9.490 -5.279 1.00 0.00 O ATOM 0 H SER A 59 -31.926 -6.051 -6.454 1.00 0.00 H new ATOM 0 HA SER A 59 -33.909 -6.862 -4.543 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.944 -8.212 -6.437 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.213 -8.099 -6.685 1.00 0.00 H new ATOM 0 HG SER A 59 -32.858 -10.210 -5.942 1.00 0.00 H new ATOM 386 N PRO A 60 -30.753 -7.785 -3.899 1.00 0.00 N ATOM 387 CA PRO A 60 -29.853 -8.241 -2.831 1.00 0.00 C ATOM 388 C PRO A 60 -29.659 -7.176 -1.749 1.00 0.00 C ATOM 389 O PRO A 60 -29.517 -7.484 -0.582 1.00 0.00 O ATOM 390 CB PRO A 60 -28.534 -8.502 -3.559 1.00 0.00 C ATOM 391 CG PRO A 60 -28.595 -7.634 -4.768 1.00 0.00 C ATOM 392 CD PRO A 60 -30.040 -7.590 -5.177 1.00 0.00 C ATOM 0 HA PRO A 60 -30.247 -9.115 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -27.679 -8.250 -2.932 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.432 -9.553 -3.830 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.221 -6.634 -4.549 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -27.975 -8.037 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.299 -6.639 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.280 -8.373 -5.897 1.00 0.00 H new ATOM 400 N PHE A 61 -29.658 -5.925 -2.121 1.00 0.00 N ATOM 401 CA PHE A 61 -29.478 -4.850 -1.104 1.00 0.00 C ATOM 402 C PHE A 61 -30.675 -4.850 -0.153 1.00 0.00 C ATOM 403 O PHE A 61 -30.555 -4.530 1.013 1.00 0.00 O ATOM 404 CB PHE A 61 -29.383 -3.493 -1.804 1.00 0.00 C ATOM 405 CG PHE A 61 -28.046 -3.375 -2.493 1.00 0.00 C ATOM 406 CD1 PHE A 61 -26.864 -3.582 -1.772 1.00 0.00 C ATOM 407 CD2 PHE A 61 -27.987 -3.060 -3.856 1.00 0.00 C ATOM 408 CE1 PHE A 61 -25.624 -3.472 -2.411 1.00 0.00 C ATOM 409 CE2 PHE A 61 -26.747 -2.951 -4.496 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.566 -3.157 -3.774 1.00 0.00 C ATOM 0 H PHE A 61 -29.774 -5.601 -3.081 1.00 0.00 H new ATOM 0 HA PHE A 61 -28.562 -5.030 -0.541 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.189 -3.389 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -29.503 -2.688 -1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -26.909 -3.827 -0.721 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -28.898 -2.901 -4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -24.713 -3.630 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.702 -2.708 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.609 -3.073 -4.268 1.00 0.00 H new ATOM 420 N GLY A 62 -31.829 -5.208 -0.643 1.00 0.00 N ATOM 421 CA GLY A 62 -33.036 -5.231 0.229 1.00 0.00 C ATOM 422 C GLY A 62 -34.241 -5.709 -0.585 1.00 0.00 C ATOM 423 O GLY A 62 -34.113 -6.102 -1.727 1.00 0.00 O ATOM 0 H GLY A 62 -31.988 -5.486 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -32.872 -5.893 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.226 -4.236 0.632 1.00 0.00 H new ATOM 427 N ASN A 63 -35.410 -5.681 -0.005 1.00 0.00 N ATOM 428 CA ASN A 63 -36.619 -6.134 -0.748 1.00 0.00 C ATOM 429 C ASN A 63 -37.384 -4.916 -1.270 1.00 0.00 C ATOM 430 O ASN A 63 -37.702 -4.006 -0.530 1.00 0.00 O ATOM 431 CB ASN A 63 -37.521 -6.938 0.190 1.00 0.00 C ATOM 432 CG ASN A 63 -36.801 -8.220 0.614 1.00 0.00 C ATOM 433 OD1 ASN A 63 -35.786 -8.575 0.049 1.00 0.00 O ATOM 434 ND2 ASN A 63 -37.287 -8.934 1.592 1.00 0.00 N ATOM 0 H ASN A 63 -35.579 -5.364 0.950 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.316 -6.760 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -37.774 -6.343 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -38.458 -7.183 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -36.815 -9.790 1.882 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -38.139 -8.636 2.066 1.00 0.00 H new ATOM 441 N ILE A 64 -37.679 -4.890 -2.541 1.00 0.00 N ATOM 442 CA ILE A 64 -38.422 -3.730 -3.108 1.00 0.00 C ATOM 443 C ILE A 64 -39.926 -4.003 -3.038 1.00 0.00 C ATOM 444 O ILE A 64 -40.404 -5.022 -3.498 1.00 0.00 O ATOM 445 CB ILE A 64 -38.009 -3.524 -4.567 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.511 -3.221 -4.636 1.00 0.00 C ATOM 447 CG2 ILE A 64 -38.795 -2.353 -5.160 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.034 -3.338 -6.085 1.00 0.00 C ATOM 0 H ILE A 64 -37.438 -5.621 -3.210 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.189 -2.834 -2.534 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.223 -4.429 -5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.314 -2.218 -4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -35.959 -3.916 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.501 -2.206 -6.199 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -39.862 -2.570 -5.112 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.583 -1.447 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -34.967 -3.122 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.217 -4.349 -6.448 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.578 -2.626 -6.706 1.00 0.00 H new ATOM 460 N ILE A 65 -40.676 -3.101 -2.467 1.00 0.00 N ATOM 461 CA ILE A 65 -42.149 -3.310 -2.368 1.00 0.00 C ATOM 462 C ILE A 65 -42.848 -2.538 -3.490 1.00 0.00 C ATOM 463 O ILE A 65 -43.982 -2.811 -3.831 1.00 0.00 O ATOM 464 CB ILE A 65 -42.645 -2.803 -1.013 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.570 -1.275 -0.979 1.00 0.00 C ATOM 466 CG2 ILE A 65 -41.768 -3.381 0.098 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.274 -0.758 0.276 1.00 0.00 C ATOM 0 H ILE A 65 -40.333 -2.229 -2.065 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.374 -4.372 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 65 -43.678 -3.118 -0.864 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.529 -0.951 -0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.039 -0.857 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.120 -3.020 1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -41.822 -4.469 0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -40.735 -3.066 -0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.221 0.330 0.301 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.318 -1.070 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.785 -1.165 1.161 1.00 0.00 H new ATOM 479 N ASP A 66 -42.180 -1.576 -4.066 1.00 0.00 N ATOM 480 CA ASP A 66 -42.808 -0.788 -5.163 1.00 0.00 C ATOM 481 C ASP A 66 -41.715 -0.142 -6.018 1.00 0.00 C ATOM 482 O ASP A 66 -41.049 0.782 -5.596 1.00 0.00 O ATOM 483 CB ASP A 66 -43.697 0.303 -4.563 1.00 0.00 C ATOM 484 CG ASP A 66 -44.436 1.034 -5.686 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.344 0.586 -6.818 1.00 0.00 O ATOM 486 OD2 ASP A 66 -45.080 2.028 -5.396 1.00 0.00 O ATOM 0 H ASP A 66 -41.228 -1.302 -3.824 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.413 -1.449 -5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.413 -0.137 -3.869 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.092 1.008 -3.993 1.00 0.00 H new ATOM 491 N LEU A 67 -41.524 -0.622 -7.217 1.00 0.00 N ATOM 492 CA LEU A 67 -40.475 -0.035 -8.097 1.00 0.00 C ATOM 493 C LEU A 67 -41.128 0.923 -9.095 1.00 0.00 C ATOM 494 O LEU A 67 -42.065 0.571 -9.784 1.00 0.00 O ATOM 495 CB LEU A 67 -39.761 -1.155 -8.856 1.00 0.00 C ATOM 496 CG LEU A 67 -38.824 -0.546 -9.901 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.731 0.263 -9.200 1.00 0.00 C ATOM 498 CD2 LEU A 67 -38.180 -1.666 -10.723 1.00 0.00 C ATOM 0 H LEU A 67 -42.049 -1.395 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 67 -39.752 0.509 -7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.195 -1.776 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -40.491 -1.803 -9.340 1.00 0.00 H new ATOM 0 HG LEU A 67 -39.394 0.109 -10.560 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -37.064 0.696 -9.946 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -38.188 1.061 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -37.161 -0.391 -8.540 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -37.512 -1.233 -11.468 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -37.611 -2.321 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -38.957 -2.243 -11.224 1.00 0.00 H new ATOM 510 N SER A 68 -40.645 2.132 -9.177 1.00 0.00 N ATOM 511 CA SER A 68 -41.243 3.110 -10.130 1.00 0.00 C ATOM 512 C SER A 68 -40.146 3.689 -11.025 1.00 0.00 C ATOM 513 O SER A 68 -38.976 3.648 -10.698 1.00 0.00 O ATOM 514 CB SER A 68 -41.912 4.241 -9.346 1.00 0.00 C ATOM 515 OG SER A 68 -40.917 5.011 -8.685 1.00 0.00 O ATOM 0 H SER A 68 -39.863 2.485 -8.626 1.00 0.00 H new ATOM 0 HA SER A 68 -41.986 2.606 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.489 4.874 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 68 -42.612 3.830 -8.619 1.00 0.00 H new ATOM 0 HG SER A 68 -40.558 4.502 -7.929 1.00 0.00 H new ATOM 521 N MET A 69 -40.515 4.231 -12.153 1.00 0.00 N ATOM 522 CA MET A 69 -39.495 4.814 -13.070 1.00 0.00 C ATOM 523 C MET A 69 -39.959 6.197 -13.531 1.00 0.00 C ATOM 524 O MET A 69 -41.132 6.508 -13.507 1.00 0.00 O ATOM 525 CB MET A 69 -39.322 3.902 -14.286 1.00 0.00 C ATOM 526 CG MET A 69 -38.907 2.504 -13.821 1.00 0.00 C ATOM 527 SD MET A 69 -38.601 1.454 -15.263 1.00 0.00 S ATOM 528 CE MET A 69 -37.000 2.160 -15.724 1.00 0.00 C ATOM 0 H MET A 69 -41.479 4.295 -12.479 1.00 0.00 H new ATOM 0 HA MET A 69 -38.543 4.905 -12.547 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.254 3.848 -14.849 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.568 4.312 -14.957 1.00 0.00 H new ATOM 0 HG2 MET A 69 -38.009 2.565 -13.206 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.690 2.068 -13.200 1.00 0.00 H new ATOM 0 HE1 MET A 69 -37.079 2.632 -16.703 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.704 2.904 -14.985 1.00 0.00 H new ATOM 0 HE3 MET A 69 -36.251 1.369 -15.762 1.00 0.00 H new ATOM 538 N ASP A 70 -39.046 7.031 -13.951 1.00 0.00 N ATOM 539 CA ASP A 70 -39.439 8.393 -14.412 1.00 0.00 C ATOM 540 C ASP A 70 -38.731 8.710 -15.729 1.00 0.00 C ATOM 541 O ASP A 70 -37.545 8.974 -15.759 1.00 0.00 O ATOM 542 CB ASP A 70 -39.037 9.424 -13.356 1.00 0.00 C ATOM 543 CG ASP A 70 -40.189 10.409 -13.140 1.00 0.00 C ATOM 544 OD1 ASP A 70 -41.128 10.371 -13.916 1.00 0.00 O ATOM 545 OD2 ASP A 70 -40.110 11.185 -12.201 1.00 0.00 O ATOM 0 H ASP A 70 -38.047 6.828 -13.995 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.518 8.428 -14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.791 8.924 -12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -38.143 9.958 -13.676 1.00 0.00 H new ATOM 550 N PRO A 71 -39.480 8.681 -16.844 1.00 0.00 N ATOM 551 CA PRO A 71 -38.928 8.966 -18.169 1.00 0.00 C ATOM 552 C PRO A 71 -38.646 10.463 -18.411 1.00 0.00 C ATOM 553 O PRO A 71 -37.771 10.798 -19.185 1.00 0.00 O ATOM 554 CB PRO A 71 -40.007 8.463 -19.127 1.00 0.00 C ATOM 555 CG PRO A 71 -41.281 8.508 -18.348 1.00 0.00 C ATOM 556 CD PRO A 71 -40.919 8.365 -16.891 1.00 0.00 C ATOM 0 HA PRO A 71 -37.959 8.485 -18.300 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -40.067 9.091 -20.016 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.790 7.450 -19.467 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.806 9.447 -18.523 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.950 7.706 -18.659 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.497 9.047 -16.268 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -41.117 7.356 -16.528 1.00 0.00 H new ATOM 564 N PRO A 72 -39.382 11.389 -17.756 1.00 0.00 N ATOM 565 CA PRO A 72 -39.155 12.825 -17.952 1.00 0.00 C ATOM 566 C PRO A 72 -37.891 13.304 -17.231 1.00 0.00 C ATOM 567 O PRO A 72 -37.297 14.299 -17.594 1.00 0.00 O ATOM 568 CB PRO A 72 -40.386 13.479 -17.328 1.00 0.00 C ATOM 569 CG PRO A 72 -40.870 12.498 -16.314 1.00 0.00 C ATOM 570 CD PRO A 72 -40.471 11.129 -16.792 1.00 0.00 C ATOM 0 HA PRO A 72 -39.014 13.072 -19.004 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.135 14.433 -16.866 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.150 13.680 -18.079 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.433 12.707 -15.338 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -41.952 12.565 -16.200 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.133 10.502 -15.967 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.307 10.612 -17.264 1.00 0.00 H new ATOM 578 N ARG A 73 -37.478 12.602 -16.212 1.00 0.00 N ATOM 579 CA ARG A 73 -36.255 13.017 -15.466 1.00 0.00 C ATOM 580 C ARG A 73 -35.169 11.950 -15.626 1.00 0.00 C ATOM 581 O ARG A 73 -34.078 12.080 -15.106 1.00 0.00 O ATOM 582 CB ARG A 73 -36.595 13.182 -13.984 1.00 0.00 C ATOM 583 CG ARG A 73 -37.582 14.338 -13.812 1.00 0.00 C ATOM 584 CD ARG A 73 -37.772 14.630 -12.321 1.00 0.00 C ATOM 585 NE ARG A 73 -38.924 15.559 -12.140 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.119 15.082 -11.928 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.035 15.180 -12.853 1.00 0.00 N ATOM 588 NH2 ARG A 73 -40.401 14.509 -10.789 1.00 0.00 N ATOM 0 H ARG A 73 -37.934 11.759 -15.863 1.00 0.00 H new ATOM 0 HA ARG A 73 -35.891 13.964 -15.864 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.027 12.260 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -35.688 13.376 -13.411 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.211 15.226 -14.323 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -38.539 14.084 -14.269 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -37.950 13.702 -11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -36.866 15.072 -11.908 1.00 0.00 H new ATOM 0 HE ARG A 73 -38.777 16.568 -12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -40.816 15.630 -13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -41.970 14.807 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -39.686 14.434 -10.065 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -41.336 14.136 -10.623 1.00 0.00 H new ATOM 602 N ASN A 74 -35.455 10.895 -16.340 1.00 0.00 N ATOM 603 CA ASN A 74 -34.435 9.825 -16.529 1.00 0.00 C ATOM 604 C ASN A 74 -34.056 9.235 -15.169 1.00 0.00 C ATOM 605 O ASN A 74 -32.916 8.884 -14.930 1.00 0.00 O ATOM 606 CB ASN A 74 -33.190 10.417 -17.191 1.00 0.00 C ATOM 607 CG ASN A 74 -33.558 10.974 -18.567 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.608 10.671 -19.097 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.732 11.784 -19.172 1.00 0.00 N ATOM 0 H ASN A 74 -36.350 10.728 -16.800 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.846 9.041 -17.164 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.775 11.208 -16.566 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.420 9.652 -17.291 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.969 12.162 -20.089 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.850 12.039 -18.727 1.00 0.00 H new ATOM 616 N CYS A 75 -34.999 9.122 -14.275 1.00 0.00 N ATOM 617 CA CYS A 75 -34.688 8.556 -12.932 1.00 0.00 C ATOM 618 C CYS A 75 -35.842 7.664 -12.474 1.00 0.00 C ATOM 619 O CYS A 75 -36.971 7.827 -12.894 1.00 0.00 O ATOM 620 CB CYS A 75 -34.493 9.695 -11.930 1.00 0.00 C ATOM 621 SG CYS A 75 -36.067 10.556 -11.682 1.00 0.00 S ATOM 0 H CYS A 75 -35.971 9.397 -14.416 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.774 7.965 -12.990 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -34.128 9.301 -10.981 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -33.739 10.391 -12.297 1.00 0.00 H new ATOM 0 HG CYS A 75 -36.663 10.076 -10.631 1.00 0.00 H new ATOM 627 N ALA A 76 -35.569 6.721 -11.614 1.00 0.00 N ATOM 628 CA ALA A 76 -36.651 5.818 -11.128 1.00 0.00 C ATOM 629 C ALA A 76 -36.671 5.829 -9.599 1.00 0.00 C ATOM 630 O ALA A 76 -35.652 5.990 -8.957 1.00 0.00 O ATOM 631 CB ALA A 76 -36.388 4.395 -11.623 1.00 0.00 C ATOM 0 H ALA A 76 -34.643 6.537 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.612 6.163 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -37.179 3.734 -11.268 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -36.370 4.386 -12.713 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -35.427 4.049 -11.242 1.00 0.00 H new ATOM 637 N PHE A 77 -37.823 5.659 -9.009 1.00 0.00 N ATOM 638 CA PHE A 77 -37.902 5.659 -7.522 1.00 0.00 C ATOM 639 C PHE A 77 -38.306 4.267 -7.032 1.00 0.00 C ATOM 640 O PHE A 77 -39.426 3.834 -7.213 1.00 0.00 O ATOM 641 CB PHE A 77 -38.944 6.682 -7.064 1.00 0.00 C ATOM 642 CG PHE A 77 -38.565 8.053 -7.572 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.888 8.429 -8.882 1.00 0.00 C ATOM 644 CD2 PHE A 77 -37.893 8.949 -6.732 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.538 9.701 -9.351 1.00 0.00 C ATOM 646 CE2 PHE A 77 -37.544 10.222 -7.202 1.00 0.00 C ATOM 647 CZ PHE A 77 -37.866 10.596 -8.511 1.00 0.00 C ATOM 0 H PHE A 77 -38.711 5.520 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.929 5.922 -7.108 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.930 6.404 -7.437 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.006 6.691 -5.976 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -39.407 7.738 -9.530 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -37.644 8.659 -5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -38.787 9.991 -10.361 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -37.027 10.914 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 77 -37.596 11.577 -8.874 1.00 0.00 H new ATOM 657 N VAL A 78 -37.400 3.564 -6.411 1.00 0.00 N ATOM 658 CA VAL A 78 -37.726 2.201 -5.908 1.00 0.00 C ATOM 659 C VAL A 78 -37.880 2.242 -4.386 1.00 0.00 C ATOM 660 O VAL A 78 -37.081 2.832 -3.689 1.00 0.00 O ATOM 661 CB VAL A 78 -36.596 1.241 -6.287 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.378 1.503 -5.397 1.00 0.00 C ATOM 663 CG2 VAL A 78 -37.064 -0.203 -6.098 1.00 0.00 C ATOM 0 H VAL A 78 -36.446 3.876 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 78 -38.660 1.858 -6.354 1.00 0.00 H new ATOM 0 HB VAL A 78 -36.323 1.400 -7.330 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.575 0.818 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.041 2.530 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.650 1.347 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -36.258 -0.885 -6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -37.340 -0.363 -5.056 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -37.928 -0.392 -6.735 1.00 0.00 H new ATOM 673 N THR A 79 -38.903 1.620 -3.867 1.00 0.00 N ATOM 674 CA THR A 79 -39.105 1.627 -2.390 1.00 0.00 C ATOM 675 C THR A 79 -38.463 0.379 -1.781 1.00 0.00 C ATOM 676 O THR A 79 -38.422 -0.671 -2.392 1.00 0.00 O ATOM 677 CB THR A 79 -40.604 1.633 -2.082 1.00 0.00 C ATOM 678 OG1 THR A 79 -41.220 2.716 -2.765 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.814 1.791 -0.575 1.00 0.00 C ATOM 0 H THR A 79 -39.606 1.108 -4.400 1.00 0.00 H new ATOM 0 HA THR A 79 -38.642 2.517 -1.963 1.00 0.00 H new ATOM 0 HB THR A 79 -41.049 0.694 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 79 -42.181 2.721 -2.571 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.882 1.795 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.339 0.961 -0.052 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.371 2.730 -0.242 1.00 0.00 H new ATOM 687 N TYR A 80 -37.959 0.486 -0.582 1.00 0.00 N ATOM 688 CA TYR A 80 -37.318 -0.694 0.066 1.00 0.00 C ATOM 689 C TYR A 80 -38.145 -1.120 1.281 1.00 0.00 C ATOM 690 O TYR A 80 -38.762 -0.307 1.940 1.00 0.00 O ATOM 691 CB TYR A 80 -35.905 -0.321 0.519 1.00 0.00 C ATOM 692 CG TYR A 80 -34.896 -0.893 -0.449 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.238 -1.069 -1.795 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.619 -1.248 0.002 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.301 -1.599 -2.691 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.682 -1.777 -0.894 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.024 -1.953 -2.241 1.00 0.00 C ATOM 698 OH TYR A 80 -32.099 -2.474 -3.124 1.00 0.00 O ATOM 0 H TYR A 80 -37.963 1.339 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.267 -1.517 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.802 0.763 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.720 -0.705 1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -36.224 -0.796 -2.142 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.357 -1.114 1.041 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.564 -1.735 -3.730 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -31.696 -2.049 -0.547 1.00 0.00 H new ATOM 0 HH TYR A 80 -32.082 -3.450 -3.042 1.00 0.00 H new ATOM 708 N GLU A 81 -38.160 -2.389 1.586 1.00 0.00 N ATOM 709 CA GLU A 81 -38.945 -2.864 2.759 1.00 0.00 C ATOM 710 C GLU A 81 -38.287 -2.365 4.047 1.00 0.00 C ATOM 711 O GLU A 81 -38.953 -2.048 5.014 1.00 0.00 O ATOM 712 CB GLU A 81 -38.980 -4.394 2.763 1.00 0.00 C ATOM 713 CG GLU A 81 -39.904 -4.881 3.880 1.00 0.00 C ATOM 714 CD GLU A 81 -39.876 -6.410 3.934 1.00 0.00 C ATOM 715 OE1 GLU A 81 -39.178 -6.999 3.125 1.00 0.00 O ATOM 716 OE2 GLU A 81 -40.553 -6.966 4.782 1.00 0.00 O ATOM 0 H GLU A 81 -37.662 -3.117 1.073 1.00 0.00 H new ATOM 0 HA GLU A 81 -39.962 -2.478 2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -39.332 -4.763 1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -37.975 -4.791 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -39.586 -4.467 4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -40.921 -4.531 3.704 1.00 0.00 H new ATOM 723 N LYS A 82 -36.984 -2.290 4.069 1.00 0.00 N ATOM 724 CA LYS A 82 -36.284 -1.809 5.294 1.00 0.00 C ATOM 725 C LYS A 82 -35.453 -0.572 4.951 1.00 0.00 C ATOM 726 O LYS A 82 -34.879 -0.474 3.884 1.00 0.00 O ATOM 727 CB LYS A 82 -35.366 -2.912 5.823 1.00 0.00 C ATOM 728 CG LYS A 82 -36.207 -4.111 6.261 1.00 0.00 C ATOM 729 CD LYS A 82 -35.298 -5.166 6.896 1.00 0.00 C ATOM 730 CE LYS A 82 -36.133 -6.381 7.304 1.00 0.00 C ATOM 731 NZ LYS A 82 -35.251 -7.578 7.407 1.00 0.00 N ATOM 0 H LYS A 82 -36.374 -2.541 3.291 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.019 -1.553 6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.659 -3.213 5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.780 -2.540 6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -36.968 -3.794 6.974 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -36.730 -4.535 5.404 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.522 -5.465 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -34.793 -4.749 7.768 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -36.624 -6.194 8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -36.920 -6.558 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -35.818 -8.404 7.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -34.803 -7.759 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -34.516 -7.407 8.122 1.00 0.00 H new ATOM 745 N MET A 83 -35.381 0.374 5.847 1.00 0.00 N ATOM 746 CA MET A 83 -34.585 1.603 5.570 1.00 0.00 C ATOM 747 C MET A 83 -33.095 1.261 5.589 1.00 0.00 C ATOM 748 O MET A 83 -32.316 1.798 4.826 1.00 0.00 O ATOM 749 CB MET A 83 -34.882 2.655 6.641 1.00 0.00 C ATOM 750 CG MET A 83 -36.353 3.067 6.557 1.00 0.00 C ATOM 751 SD MET A 83 -36.672 4.409 7.729 1.00 0.00 S ATOM 752 CE MET A 83 -35.769 5.703 6.844 1.00 0.00 C ATOM 0 H MET A 83 -35.839 0.349 6.758 1.00 0.00 H new ATOM 0 HA MET A 83 -34.854 1.997 4.590 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.661 2.254 7.630 1.00 0.00 H new ATOM 0 HB3 MET A 83 -34.241 3.525 6.499 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.594 3.390 5.544 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.994 2.214 6.781 1.00 0.00 H new ATOM 0 HE1 MET A 83 -35.104 6.221 7.535 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.181 5.254 6.043 1.00 0.00 H new ATOM 0 HE3 MET A 83 -36.477 6.415 6.419 1.00 0.00 H new ATOM 762 N GLU A 84 -32.690 0.373 6.454 1.00 0.00 N ATOM 763 CA GLU A 84 -31.249 0.000 6.519 1.00 0.00 C ATOM 764 C GLU A 84 -30.831 -0.646 5.197 1.00 0.00 C ATOM 765 O GLU A 84 -29.744 -0.423 4.701 1.00 0.00 O ATOM 766 CB GLU A 84 -31.030 -0.992 7.663 1.00 0.00 C ATOM 767 CG GLU A 84 -29.530 -1.222 7.859 1.00 0.00 C ATOM 768 CD GLU A 84 -29.313 -2.265 8.957 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.298 -2.751 9.487 1.00 0.00 O ATOM 770 OE2 GLU A 84 -28.165 -2.559 9.249 1.00 0.00 O ATOM 0 H GLU A 84 -33.294 -0.110 7.119 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.649 0.893 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.473 -0.607 8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -31.527 -1.936 7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -29.078 -1.561 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -29.040 -0.287 8.129 1.00 0.00 H new ATOM 777 N SER A 85 -31.686 -1.444 4.624 1.00 0.00 N ATOM 778 CA SER A 85 -31.343 -2.106 3.334 1.00 0.00 C ATOM 779 C SER A 85 -31.230 -1.049 2.233 1.00 0.00 C ATOM 780 O SER A 85 -30.474 -1.195 1.293 1.00 0.00 O ATOM 781 CB SER A 85 -32.438 -3.109 2.967 1.00 0.00 C ATOM 782 OG SER A 85 -32.630 -4.015 4.044 1.00 0.00 O ATOM 0 H SER A 85 -32.610 -1.668 4.993 1.00 0.00 H new ATOM 0 HA SER A 85 -30.392 -2.629 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.368 -2.584 2.749 1.00 0.00 H new ATOM 0 HB3 SER A 85 -32.160 -3.654 2.065 1.00 0.00 H new ATOM 0 HG SER A 85 -33.333 -4.657 3.810 1.00 0.00 H new ATOM 788 N ALA A 86 -31.976 0.015 2.343 1.00 0.00 N ATOM 789 CA ALA A 86 -31.911 1.081 1.304 1.00 0.00 C ATOM 790 C ALA A 86 -30.586 1.834 1.431 1.00 0.00 C ATOM 791 O ALA A 86 -30.019 2.282 0.455 1.00 0.00 O ATOM 792 CB ALA A 86 -33.074 2.056 1.500 1.00 0.00 C ATOM 0 H ALA A 86 -32.628 0.193 3.107 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.979 0.630 0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -33.027 2.836 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -34.018 1.519 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -33.007 2.509 2.489 1.00 0.00 H new ATOM 798 N ASP A 87 -30.087 1.977 2.629 1.00 0.00 N ATOM 799 CA ASP A 87 -28.800 2.701 2.819 1.00 0.00 C ATOM 800 C ASP A 87 -27.652 1.849 2.276 1.00 0.00 C ATOM 801 O ASP A 87 -26.702 2.355 1.712 1.00 0.00 O ATOM 802 CB ASP A 87 -28.578 2.964 4.308 1.00 0.00 C ATOM 803 CG ASP A 87 -29.638 3.944 4.816 1.00 0.00 C ATOM 804 OD1 ASP A 87 -30.311 4.538 3.991 1.00 0.00 O ATOM 805 OD2 ASP A 87 -29.758 4.084 6.022 1.00 0.00 O ATOM 0 H ASP A 87 -30.516 1.623 3.484 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.834 3.650 2.284 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -28.634 2.029 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -27.581 3.373 4.471 1.00 0.00 H new ATOM 810 N GLN A 88 -27.733 0.559 2.441 1.00 0.00 N ATOM 811 CA GLN A 88 -26.648 -0.327 1.935 1.00 0.00 C ATOM 812 C GLN A 88 -26.705 -0.379 0.406 1.00 0.00 C ATOM 813 O GLN A 88 -25.700 -0.551 -0.256 1.00 0.00 O ATOM 814 CB GLN A 88 -26.833 -1.736 2.502 1.00 0.00 C ATOM 815 CG GLN A 88 -25.663 -2.620 2.063 1.00 0.00 C ATOM 816 CD GLN A 88 -25.863 -4.036 2.608 1.00 0.00 C ATOM 817 OE1 GLN A 88 -26.763 -4.279 3.387 1.00 0.00 O ATOM 818 NE2 GLN A 88 -25.055 -4.988 2.228 1.00 0.00 N ATOM 0 H GLN A 88 -28.504 0.079 2.905 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.681 0.066 2.250 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -26.886 -1.698 3.590 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -27.774 -2.160 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -25.598 -2.643 0.975 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -24.723 -2.207 2.429 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -24.299 -4.785 1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -25.179 -5.935 2.585 1.00 0.00 H new ATOM 827 N ALA A 89 -27.872 -0.230 -0.158 1.00 0.00 N ATOM 828 CA ALA A 89 -27.992 -0.269 -1.643 1.00 0.00 C ATOM 829 C ALA A 89 -27.582 1.086 -2.221 1.00 0.00 C ATOM 830 O ALA A 89 -26.889 1.165 -3.217 1.00 0.00 O ATOM 831 CB ALA A 89 -29.441 -0.570 -2.031 1.00 0.00 C ATOM 0 H ALA A 89 -28.747 -0.083 0.345 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.341 -1.048 -2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.528 -0.598 -3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.735 -1.535 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -30.093 0.208 -1.635 1.00 0.00 H new ATOM 837 N VAL A 90 -28.007 2.155 -1.605 1.00 0.00 N ATOM 838 CA VAL A 90 -27.645 3.507 -2.119 1.00 0.00 C ATOM 839 C VAL A 90 -26.144 3.738 -1.940 1.00 0.00 C ATOM 840 O VAL A 90 -25.506 4.388 -2.745 1.00 0.00 O ATOM 841 CB VAL A 90 -28.422 4.570 -1.338 1.00 0.00 C ATOM 842 CG1 VAL A 90 -28.061 5.959 -1.870 1.00 0.00 C ATOM 843 CG2 VAL A 90 -29.924 4.334 -1.508 1.00 0.00 C ATOM 0 H VAL A 90 -28.589 2.151 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.897 3.574 -3.177 1.00 0.00 H new ATOM 0 HB VAL A 90 -28.162 4.506 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -28.614 6.716 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -26.991 6.128 -1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -28.321 6.023 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -30.477 5.091 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -30.185 4.397 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -30.182 3.345 -1.129 1.00 0.00 H new ATOM 853 N ALA A 91 -25.574 3.215 -0.889 1.00 0.00 N ATOM 854 CA ALA A 91 -24.114 3.410 -0.659 1.00 0.00 C ATOM 855 C ALA A 91 -23.318 2.431 -1.525 1.00 0.00 C ATOM 856 O ALA A 91 -22.205 2.708 -1.927 1.00 0.00 O ATOM 857 CB ALA A 91 -23.795 3.159 0.816 1.00 0.00 C ATOM 0 H ALA A 91 -26.055 2.662 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 91 -23.840 4.431 -0.926 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.728 3.301 0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -24.358 3.859 1.434 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -24.072 2.138 1.080 1.00 0.00 H new ATOM 863 N GLU A 92 -23.875 1.286 -1.813 1.00 0.00 N ATOM 864 CA GLU A 92 -23.144 0.292 -2.650 1.00 0.00 C ATOM 865 C GLU A 92 -23.373 0.597 -4.132 1.00 0.00 C ATOM 866 O GLU A 92 -22.457 0.569 -4.929 1.00 0.00 O ATOM 867 CB GLU A 92 -23.656 -1.114 -2.332 1.00 0.00 C ATOM 868 CG GLU A 92 -22.808 -2.147 -3.078 1.00 0.00 C ATOM 869 CD GLU A 92 -21.378 -2.121 -2.534 1.00 0.00 C ATOM 870 OE1 GLU A 92 -21.210 -1.769 -1.378 1.00 0.00 O ATOM 871 OE2 GLU A 92 -20.475 -2.454 -3.284 1.00 0.00 O ATOM 0 H GLU A 92 -24.803 0.996 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 92 -22.078 0.350 -2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -23.608 -1.296 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -24.702 -1.207 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -23.237 -3.142 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -22.806 -1.929 -4.146 1.00 0.00 H new ATOM 878 N LEU A 93 -24.589 0.886 -4.509 1.00 0.00 N ATOM 879 CA LEU A 93 -24.872 1.190 -5.941 1.00 0.00 C ATOM 880 C LEU A 93 -24.326 2.576 -6.289 1.00 0.00 C ATOM 881 O LEU A 93 -23.796 2.793 -7.361 1.00 0.00 O ATOM 882 CB LEU A 93 -26.382 1.160 -6.182 1.00 0.00 C ATOM 883 CG LEU A 93 -26.868 -0.289 -6.185 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.361 -0.328 -6.515 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.092 -1.085 -7.237 1.00 0.00 C ATOM 0 H LEU A 93 -25.398 0.925 -3.888 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.390 0.443 -6.571 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.896 1.726 -5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.619 1.636 -7.133 1.00 0.00 H new ATOM 0 HG LEU A 93 -26.703 -0.728 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -28.706 -1.362 -6.517 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -28.914 0.238 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.528 0.112 -7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -26.438 -2.119 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.256 -0.645 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.028 -1.059 -7.001 1.00 0.00 H new ATOM 897 N ASN A 94 -24.449 3.515 -5.392 1.00 0.00 N ATOM 898 CA ASN A 94 -23.936 4.884 -5.675 1.00 0.00 C ATOM 899 C ASN A 94 -22.412 4.844 -5.790 1.00 0.00 C ATOM 900 O ASN A 94 -21.733 4.256 -4.971 1.00 0.00 O ATOM 901 CB ASN A 94 -24.339 5.825 -4.538 1.00 0.00 C ATOM 902 CG ASN A 94 -23.863 7.243 -4.858 1.00 0.00 C ATOM 903 OD1 ASN A 94 -23.545 7.549 -5.991 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.798 8.129 -3.902 1.00 0.00 N ATOM 0 H ASN A 94 -24.882 3.393 -4.477 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.361 5.245 -6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -25.421 5.814 -4.408 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.902 5.486 -3.599 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -23.481 9.077 -4.106 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -24.064 7.874 -2.951 1.00 0.00 H new ATOM 911 N GLY A 95 -21.867 5.462 -6.802 1.00 0.00 N ATOM 912 CA GLY A 95 -20.386 5.457 -6.967 1.00 0.00 C ATOM 913 C GLY A 95 -19.949 4.138 -7.609 1.00 0.00 C ATOM 914 O GLY A 95 -18.959 3.548 -7.224 1.00 0.00 O ATOM 0 H GLY A 95 -22.383 5.970 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.076 6.297 -7.589 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.901 5.581 -5.999 1.00 0.00 H new ATOM 918 N THR A 96 -20.679 3.671 -8.584 1.00 0.00 N ATOM 919 CA THR A 96 -20.304 2.391 -9.248 1.00 0.00 C ATOM 920 C THR A 96 -20.366 2.566 -10.766 1.00 0.00 C ATOM 921 O THR A 96 -20.924 3.522 -11.267 1.00 0.00 O ATOM 922 CB THR A 96 -21.279 1.290 -8.821 1.00 0.00 C ATOM 923 OG1 THR A 96 -22.577 1.595 -9.311 1.00 0.00 O ATOM 924 CG2 THR A 96 -21.315 1.204 -7.294 1.00 0.00 C ATOM 0 H THR A 96 -21.519 4.120 -8.950 1.00 0.00 H new ATOM 0 HA THR A 96 -19.291 2.113 -8.956 1.00 0.00 H new ATOM 0 HB THR A 96 -20.951 0.334 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.954 2.340 -8.797 1.00 0.00 H new ATOM 0 HG21 THR A 96 -22.009 0.420 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.318 0.972 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 96 -21.643 2.159 -6.883 1.00 0.00 H new ATOM 932 N GLN A 97 -19.794 1.654 -11.503 1.00 0.00 N ATOM 933 CA GLN A 97 -19.820 1.773 -12.987 1.00 0.00 C ATOM 934 C GLN A 97 -20.340 0.471 -13.598 1.00 0.00 C ATOM 935 O GLN A 97 -20.380 -0.558 -12.952 1.00 0.00 O ATOM 936 CB GLN A 97 -18.406 2.048 -13.502 1.00 0.00 C ATOM 937 CG GLN A 97 -18.448 2.266 -15.015 1.00 0.00 C ATOM 938 CD GLN A 97 -17.052 2.645 -15.516 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.151 2.866 -14.731 1.00 0.00 O ATOM 940 NE2 GLN A 97 -16.835 2.731 -16.799 1.00 0.00 N ATOM 0 H GLN A 97 -19.310 0.832 -11.141 1.00 0.00 H new ATOM 0 HA GLN A 97 -20.478 2.594 -13.272 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -17.992 2.927 -13.008 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -17.751 1.210 -13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -18.791 1.360 -15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.160 3.054 -15.260 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.591 2.545 -17.458 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -15.909 2.984 -17.144 1.00 0.00 H new ATOM 949 N VAL A 98 -20.740 0.508 -14.839 1.00 0.00 N ATOM 950 CA VAL A 98 -21.258 -0.727 -15.497 1.00 0.00 C ATOM 951 C VAL A 98 -20.342 -1.091 -16.666 1.00 0.00 C ATOM 952 O VAL A 98 -19.239 -0.595 -16.779 1.00 0.00 O ATOM 953 CB VAL A 98 -22.680 -0.489 -16.029 1.00 0.00 C ATOM 954 CG1 VAL A 98 -23.577 -1.658 -15.617 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.252 0.813 -15.459 1.00 0.00 C ATOM 0 H VAL A 98 -20.731 1.341 -15.428 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.281 -1.537 -14.768 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.642 -0.413 -17.116 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -24.587 -1.492 -15.993 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.182 -2.584 -16.034 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -23.602 -1.732 -14.530 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.260 0.968 -15.845 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.286 0.750 -14.371 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -22.618 1.649 -15.754 1.00 0.00 H new ATOM 965 N GLU A 99 -20.791 -1.948 -17.542 1.00 0.00 N ATOM 966 CA GLU A 99 -19.941 -2.327 -18.704 1.00 0.00 C ATOM 967 C GLU A 99 -19.394 -1.054 -19.350 1.00 0.00 C ATOM 968 O GLU A 99 -18.364 -1.062 -19.995 1.00 0.00 O ATOM 969 CB GLU A 99 -20.782 -3.101 -19.721 1.00 0.00 C ATOM 970 CG GLU A 99 -19.896 -3.537 -20.890 1.00 0.00 C ATOM 971 CD GLU A 99 -20.765 -4.163 -21.982 1.00 0.00 C ATOM 972 OE1 GLU A 99 -21.973 -4.179 -21.812 1.00 0.00 O ATOM 973 OE2 GLU A 99 -20.209 -4.616 -22.969 1.00 0.00 O ATOM 0 H GLU A 99 -21.705 -2.400 -17.503 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.115 -2.956 -18.372 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.233 -3.973 -19.247 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -21.599 -2.477 -20.083 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -19.354 -2.680 -21.289 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -19.151 -4.255 -20.547 1.00 0.00 H new ATOM 980 N SER A 100 -20.079 0.043 -19.173 1.00 0.00 N ATOM 981 CA SER A 100 -19.607 1.326 -19.766 1.00 0.00 C ATOM 982 C SER A 100 -20.596 2.440 -19.412 1.00 0.00 C ATOM 983 O SER A 100 -20.858 3.325 -20.201 1.00 0.00 O ATOM 984 CB SER A 100 -19.514 1.187 -21.286 1.00 0.00 C ATOM 985 OG SER A 100 -18.187 1.466 -21.707 1.00 0.00 O ATOM 0 H SER A 100 -20.947 0.106 -18.642 1.00 0.00 H new ATOM 0 HA SER A 100 -18.622 1.571 -19.368 1.00 0.00 H new ATOM 0 HB2 SER A 100 -19.798 0.179 -21.588 1.00 0.00 H new ATOM 0 HB3 SER A 100 -20.211 1.872 -21.768 1.00 0.00 H new ATOM 0 HG SER A 100 -18.127 1.375 -22.681 1.00 0.00 H new ATOM 991 N VAL A 101 -21.150 2.398 -18.230 1.00 0.00 N ATOM 992 CA VAL A 101 -22.123 3.451 -17.824 1.00 0.00 C ATOM 993 C VAL A 101 -21.910 3.802 -16.349 1.00 0.00 C ATOM 994 O VAL A 101 -21.237 3.097 -15.624 1.00 0.00 O ATOM 995 CB VAL A 101 -23.545 2.924 -18.019 1.00 0.00 C ATOM 996 CG1 VAL A 101 -24.542 3.880 -17.361 1.00 0.00 C ATOM 997 CG2 VAL A 101 -23.850 2.820 -19.515 1.00 0.00 C ATOM 0 H VAL A 101 -20.970 1.680 -17.529 1.00 0.00 H new ATOM 0 HA VAL A 101 -21.974 4.342 -18.434 1.00 0.00 H new ATOM 0 HB VAL A 101 -23.631 1.939 -17.560 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -25.555 3.502 -17.501 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.326 3.953 -16.295 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -24.456 4.866 -17.817 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -24.864 2.444 -19.654 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -23.762 3.805 -19.974 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.142 2.137 -19.984 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.479 4.888 -15.900 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.312 5.281 -14.473 1.00 0.00 C ATOM 1009 C GLN A 102 -23.689 5.394 -13.815 1.00 0.00 C ATOM 1010 O GLN A 102 -24.609 5.959 -14.373 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.596 6.632 -14.396 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.203 6.504 -15.014 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.499 7.862 -14.975 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.131 8.880 -14.777 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.208 7.919 -15.158 1.00 0.00 N ATOM 0 H GLN A 102 -23.052 5.519 -16.460 1.00 0.00 H new ATOM 0 HA GLN A 102 -21.720 4.528 -13.953 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.172 7.392 -14.924 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.517 6.956 -13.358 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -19.618 5.764 -14.468 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.281 6.153 -16.043 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.678 7.063 -15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.729 8.819 -15.135 1.00 0.00 H new ATOM 1024 N LEU A 103 -23.841 4.858 -12.634 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.161 4.934 -11.947 1.00 0.00 C ATOM 1026 C LEU A 103 -25.089 5.955 -10.810 1.00 0.00 C ATOM 1027 O LEU A 103 -24.025 6.283 -10.322 1.00 0.00 O ATOM 1028 CB LEU A 103 -25.517 3.560 -11.377 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.020 3.497 -11.097 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -27.639 2.346 -11.891 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.252 3.268 -9.602 1.00 0.00 C ATOM 0 H LEU A 103 -23.109 4.372 -12.116 1.00 0.00 H new ATOM 0 HA LEU A 103 -25.925 5.242 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.235 2.778 -12.082 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -24.957 3.379 -10.459 1.00 0.00 H new ATOM 0 HG LEU A 103 -27.485 4.436 -11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -28.710 2.301 -11.692 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -27.475 2.509 -12.956 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -27.174 1.406 -11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -28.323 3.223 -9.403 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -26.787 2.329 -9.301 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -26.812 4.089 -9.036 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.215 6.458 -10.381 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.214 7.456 -9.275 1.00 0.00 C ATOM 1045 C LYS A 104 -27.440 7.233 -8.388 1.00 0.00 C ATOM 1046 O LYS A 104 -28.564 7.429 -8.806 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.258 8.868 -9.863 1.00 0.00 C ATOM 1048 CG LYS A 104 -26.234 9.894 -8.727 1.00 0.00 C ATOM 1049 CD LYS A 104 -26.425 11.298 -9.306 1.00 0.00 C ATOM 1050 CE LYS A 104 -26.227 12.335 -8.199 1.00 0.00 C ATOM 1051 NZ LYS A 104 -27.241 13.417 -8.348 1.00 0.00 N ATOM 0 H LYS A 104 -27.136 6.220 -10.750 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.309 7.339 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -25.407 9.024 -10.526 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.158 8.996 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -27.023 9.675 -8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -25.287 9.836 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.713 11.471 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -27.422 11.394 -9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -26.324 11.863 -7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -25.222 12.753 -8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -27.108 14.123 -7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -27.128 13.873 -9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -28.196 13.010 -8.276 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.235 6.822 -7.167 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.390 6.585 -6.257 1.00 0.00 C ATOM 1067 C VAL A 105 -28.424 7.667 -5.175 1.00 0.00 C ATOM 1068 O VAL A 105 -27.401 8.087 -4.672 1.00 0.00 O ATOM 1069 CB VAL A 105 -28.248 5.212 -5.596 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.512 4.900 -4.792 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -28.054 4.144 -6.674 1.00 0.00 C ATOM 0 H VAL A 105 -26.317 6.640 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.314 6.619 -6.834 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.385 5.217 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -29.411 3.922 -4.321 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.651 5.660 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.375 4.895 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.953 3.166 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.917 4.139 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -27.154 4.365 -7.248 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.593 8.118 -4.812 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.693 9.170 -3.762 1.00 0.00 C ATOM 1083 C ASN A 106 -30.836 8.824 -2.807 1.00 0.00 C ATOM 1084 O ASN A 106 -31.604 7.912 -3.047 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.966 10.524 -4.418 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.824 10.864 -5.379 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -29.059 11.302 -6.488 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -27.590 10.679 -4.997 1.00 0.00 N ATOM 0 H ASN A 106 -30.483 7.803 -5.197 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.756 9.221 -3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.913 10.495 -4.957 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.057 11.298 -3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -26.821 10.902 -5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -27.394 10.311 -4.066 1.00 0.00 H new ATOM 1095 N ILE A 107 -30.957 9.540 -1.723 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.051 9.246 -0.754 1.00 0.00 C ATOM 1097 C ILE A 107 -33.054 10.400 -0.747 1.00 0.00 C ATOM 1098 O ILE A 107 -32.702 11.541 -0.521 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.458 9.075 0.645 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.384 7.986 0.617 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.566 8.675 1.622 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -29.796 7.812 2.019 1.00 0.00 C ATOM 0 H ILE A 107 -30.346 10.315 -1.466 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.560 8.328 -1.048 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.011 10.015 0.967 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -30.814 7.046 0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -29.597 8.254 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.145 8.553 2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.330 9.452 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.014 7.735 1.299 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -29.031 7.036 1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -29.351 8.752 2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -30.587 7.524 2.712 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.304 10.112 -0.991 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.330 11.192 -0.995 1.00 0.00 C ATOM 1116 C ALA A 108 -35.545 11.693 0.435 1.00 0.00 C ATOM 1117 O ALA A 108 -35.443 10.945 1.386 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.647 10.640 -1.546 1.00 0.00 C ATOM 0 H ALA A 108 -34.658 9.176 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 108 -34.991 12.016 -1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.399 11.429 -1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.493 10.280 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -36.988 9.817 -0.918 1.00 0.00 H new