USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=18 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 -125:sc= 1.04 USER MOD Set 1.2: A 75 CYS SG : rot -159:sc= -1.3! 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 Single : A 40 ASN : amide:sc= -5.03! C(o=-5!,f=-4.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -156:sc= -0.21 (180deg=-1.54!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.569 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 136:sc= -3.75! (180deg=-4.76!) USER MOD Single : A 74 ASN : amide:sc=-0.00047 K(o=-0.00047,f=-1.5!) USER MOD Single : A 80 TYR OH : rot 161:sc= -7.13! USER MOD Single : A 82 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.157) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.288 (180deg=-1.52!) USER MOD Single : A 85 SER OG : rot 180:sc= -0.524 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 94 ASN : amide:sc= -0.774 K(o=-0.77,f=-6.8!) USER MOD Single : A 96 THR OG1 : rot -102:sc= 0.293 USER MOD Single : A 97 GLN : amide:sc=-0.000268 K(o=-0.00027,f=-1.7!) USER MOD Single : A 100 SER OG : rot -62:sc= -0.221! USER MOD Single : A 102 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 104 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00549) USER MOD Single : A 106 ASN : amide:sc= -2.32! C(o=-2.3!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 78 N ASN A 40 -38.797 3.521 2.868 1.00 0.00 N ATOM 79 CA ASN A 40 -37.544 4.265 2.554 1.00 0.00 C ATOM 80 C ASN A 40 -37.348 4.316 1.038 1.00 0.00 C ATOM 81 O ASN A 40 -36.745 3.440 0.452 1.00 0.00 O ATOM 82 CB ASN A 40 -36.353 3.555 3.200 1.00 0.00 C ATOM 83 CG ASN A 40 -35.140 4.487 3.198 1.00 0.00 C ATOM 84 OD1 ASN A 40 -35.194 5.571 2.650 1.00 0.00 O ATOM 85 ND2 ASN A 40 -34.041 4.110 3.790 1.00 0.00 N ATOM 0 HA ASN A 40 -37.616 5.280 2.945 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -36.600 3.264 4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -36.122 2.640 2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -33.227 4.724 3.793 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -33.996 3.201 4.250 1.00 0.00 H new ATOM 92 N THR A 41 -37.855 5.334 0.399 1.00 0.00 N ATOM 93 CA THR A 41 -37.699 5.439 -1.080 1.00 0.00 C ATOM 94 C THR A 41 -36.342 6.067 -1.408 1.00 0.00 C ATOM 95 O THR A 41 -35.934 7.039 -0.805 1.00 0.00 O ATOM 96 CB THR A 41 -38.818 6.316 -1.649 1.00 0.00 C ATOM 97 OG1 THR A 41 -40.077 5.781 -1.264 1.00 0.00 O ATOM 98 CG2 THR A 41 -38.718 6.346 -3.175 1.00 0.00 C ATOM 0 H THR A 41 -38.371 6.098 0.836 1.00 0.00 H new ATOM 0 HA THR A 41 -37.755 4.444 -1.523 1.00 0.00 H new ATOM 0 HB THR A 41 -38.720 7.330 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 41 -40.795 6.342 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 41 -39.515 6.970 -3.580 1.00 0.00 H new ATOM 0 HG22 THR A 41 -37.751 6.756 -3.468 1.00 0.00 H new ATOM 0 HG23 THR A 41 -38.817 5.333 -3.566 1.00 0.00 H new ATOM 106 N LEU A 42 -35.642 5.518 -2.364 1.00 0.00 N ATOM 107 CA LEU A 42 -34.313 6.083 -2.733 1.00 0.00 C ATOM 108 C LEU A 42 -34.381 6.646 -4.155 1.00 0.00 C ATOM 109 O LEU A 42 -35.084 6.133 -5.002 1.00 0.00 O ATOM 110 CB LEU A 42 -33.253 4.981 -2.673 1.00 0.00 C ATOM 111 CG LEU A 42 -33.308 4.292 -1.307 1.00 0.00 C ATOM 112 CD1 LEU A 42 -32.241 3.197 -1.245 1.00 0.00 C ATOM 113 CD2 LEU A 42 -33.046 5.322 -0.206 1.00 0.00 C ATOM 0 H LEU A 42 -35.933 4.704 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 42 -34.049 6.878 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -33.425 4.253 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -32.263 5.405 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 42 -34.293 3.848 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -32.280 2.706 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -32.426 2.463 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -31.256 3.641 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -33.085 4.832 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -32.061 5.766 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -33.805 6.103 -0.250 1.00 0.00 H new ATOM 125 N TYR A 43 -33.654 7.696 -4.424 1.00 0.00 N ATOM 126 CA TYR A 43 -33.680 8.288 -5.790 1.00 0.00 C ATOM 127 C TYR A 43 -32.540 7.697 -6.624 1.00 0.00 C ATOM 128 O TYR A 43 -31.386 7.768 -6.253 1.00 0.00 O ATOM 129 CB TYR A 43 -33.508 9.805 -5.694 1.00 0.00 C ATOM 130 CG TYR A 43 -33.675 10.418 -7.064 1.00 0.00 C ATOM 131 CD1 TYR A 43 -34.954 10.725 -7.542 1.00 0.00 C ATOM 132 CD2 TYR A 43 -32.550 10.681 -7.854 1.00 0.00 C ATOM 133 CE1 TYR A 43 -35.108 11.295 -8.813 1.00 0.00 C ATOM 134 CE2 TYR A 43 -32.703 11.249 -9.124 1.00 0.00 C ATOM 135 CZ TYR A 43 -33.982 11.557 -9.603 1.00 0.00 C ATOM 136 OH TYR A 43 -34.134 12.117 -10.855 1.00 0.00 O ATOM 0 H TYR A 43 -33.044 8.169 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 43 -34.634 8.061 -6.265 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -34.243 10.222 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -32.523 10.046 -5.294 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -35.822 10.523 -6.932 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -31.563 10.446 -7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -36.095 11.532 -9.183 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -31.835 11.450 -9.734 1.00 0.00 H new ATOM 0 HH TYR A 43 -33.700 11.547 -11.523 1.00 0.00 H new ATOM 146 N VAL A 44 -32.856 7.114 -7.748 1.00 0.00 N ATOM 147 CA VAL A 44 -31.790 6.519 -8.604 1.00 0.00 C ATOM 148 C VAL A 44 -31.717 7.282 -9.929 1.00 0.00 C ATOM 149 O VAL A 44 -32.717 7.510 -10.580 1.00 0.00 O ATOM 150 CB VAL A 44 -32.117 5.050 -8.879 1.00 0.00 C ATOM 151 CG1 VAL A 44 -30.984 4.420 -9.691 1.00 0.00 C ATOM 152 CG2 VAL A 44 -32.270 4.305 -7.553 1.00 0.00 C ATOM 0 H VAL A 44 -33.805 7.024 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 44 -30.831 6.587 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 44 -33.048 4.984 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -31.216 3.373 -9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -30.875 4.951 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -30.053 4.486 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -32.503 3.258 -7.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -31.339 4.370 -6.989 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -33.077 4.754 -6.974 1.00 0.00 H new ATOM 162 N TYR A 45 -30.542 7.679 -10.332 1.00 0.00 N ATOM 163 CA TYR A 45 -30.407 8.426 -11.613 1.00 0.00 C ATOM 164 C TYR A 45 -29.445 7.682 -12.541 1.00 0.00 C ATOM 165 O TYR A 45 -28.570 6.965 -12.098 1.00 0.00 O ATOM 166 CB TYR A 45 -29.860 9.828 -11.330 1.00 0.00 C ATOM 167 CG TYR A 45 -29.815 10.617 -12.616 1.00 0.00 C ATOM 168 CD1 TYR A 45 -30.969 11.250 -13.090 1.00 0.00 C ATOM 169 CD2 TYR A 45 -28.616 10.717 -13.334 1.00 0.00 C ATOM 170 CE1 TYR A 45 -30.928 11.982 -14.283 1.00 0.00 C ATOM 171 CE2 TYR A 45 -28.574 11.449 -14.527 1.00 0.00 C ATOM 172 CZ TYR A 45 -29.730 12.082 -15.001 1.00 0.00 C ATOM 173 OH TYR A 45 -29.689 12.803 -16.176 1.00 0.00 O ATOM 0 H TYR A 45 -29.669 7.518 -9.829 1.00 0.00 H new ATOM 0 HA TYR A 45 -31.383 8.505 -12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -30.491 10.336 -10.600 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -28.862 9.761 -10.897 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -31.892 11.174 -12.535 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -27.725 10.230 -12.967 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -31.820 12.469 -14.649 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -27.650 11.525 -15.082 1.00 0.00 H new ATOM 0 HH TYR A 45 -28.782 12.773 -16.547 1.00 0.00 H new ATOM 183 N GLY A 46 -29.600 7.846 -13.827 1.00 0.00 N ATOM 184 CA GLY A 46 -28.694 7.147 -14.782 1.00 0.00 C ATOM 185 C GLY A 46 -29.209 7.344 -16.209 1.00 0.00 C ATOM 186 O GLY A 46 -30.108 8.124 -16.453 1.00 0.00 O ATOM 0 H GLY A 46 -30.314 8.433 -14.257 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -27.681 7.539 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -28.647 6.084 -14.544 1.00 0.00 H new ATOM 190 N GLU A 47 -28.646 6.642 -17.154 1.00 0.00 N ATOM 191 CA GLU A 47 -29.102 6.789 -18.565 1.00 0.00 C ATOM 192 C GLU A 47 -29.461 5.413 -19.129 1.00 0.00 C ATOM 193 O GLU A 47 -28.875 4.411 -18.769 1.00 0.00 O ATOM 194 CB GLU A 47 -27.981 7.408 -19.402 1.00 0.00 C ATOM 195 CG GLU A 47 -27.655 8.804 -18.865 1.00 0.00 C ATOM 196 CD GLU A 47 -26.603 9.461 -19.760 1.00 0.00 C ATOM 197 OE1 GLU A 47 -26.071 8.775 -20.618 1.00 0.00 O ATOM 198 OE2 GLU A 47 -26.347 10.639 -19.573 1.00 0.00 O ATOM 0 H GLU A 47 -27.890 5.973 -17.010 1.00 0.00 H new ATOM 0 HA GLU A 47 -29.979 7.436 -18.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -27.094 6.776 -19.365 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -28.285 7.470 -20.447 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -28.557 9.415 -18.838 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -27.286 8.735 -17.842 1.00 0.00 H new ATOM 205 N ASP A 48 -30.421 5.355 -20.011 1.00 0.00 N ATOM 206 CA ASP A 48 -30.817 4.043 -20.596 1.00 0.00 C ATOM 207 C ASP A 48 -30.902 2.994 -19.484 1.00 0.00 C ATOM 208 O ASP A 48 -30.280 1.953 -19.553 1.00 0.00 O ATOM 209 CB ASP A 48 -29.774 3.609 -21.628 1.00 0.00 C ATOM 210 CG ASP A 48 -30.270 2.359 -22.358 1.00 0.00 C ATOM 211 OD1 ASP A 48 -31.401 1.967 -22.121 1.00 0.00 O ATOM 212 OD2 ASP A 48 -29.510 1.813 -23.142 1.00 0.00 O ATOM 0 H ASP A 48 -30.948 6.159 -20.352 1.00 0.00 H new ATOM 0 HA ASP A 48 -31.789 4.139 -21.080 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -29.596 4.413 -22.342 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -28.823 3.403 -21.136 1.00 0.00 H new ATOM 217 N MET A 49 -31.667 3.261 -18.461 1.00 0.00 N ATOM 218 CA MET A 49 -31.788 2.280 -17.346 1.00 0.00 C ATOM 219 C MET A 49 -33.040 1.424 -17.553 1.00 0.00 C ATOM 220 O MET A 49 -34.051 1.892 -18.038 1.00 0.00 O ATOM 221 CB MET A 49 -31.897 3.030 -16.018 1.00 0.00 C ATOM 222 CG MET A 49 -30.549 3.669 -15.680 1.00 0.00 C ATOM 223 SD MET A 49 -30.603 4.342 -14.000 1.00 0.00 S ATOM 224 CE MET A 49 -32.010 5.452 -14.246 1.00 0.00 C ATOM 0 H MET A 49 -32.213 4.115 -18.349 1.00 0.00 H new ATOM 0 HA MET A 49 -30.908 1.638 -17.330 1.00 0.00 H new ATOM 0 HB2 MET A 49 -32.669 3.797 -16.084 1.00 0.00 H new ATOM 0 HB3 MET A 49 -32.196 2.345 -15.225 1.00 0.00 H new ATOM 0 HG2 MET A 49 -29.753 2.929 -15.761 1.00 0.00 H new ATOM 0 HG3 MET A 49 -30.321 4.461 -16.393 1.00 0.00 H new ATOM 0 HE1 MET A 49 -31.968 6.260 -13.516 1.00 0.00 H new ATOM 0 HE2 MET A 49 -31.972 5.870 -15.252 1.00 0.00 H new ATOM 0 HE3 MET A 49 -32.939 4.896 -14.119 1.00 0.00 H new ATOM 234 N THR A 50 -32.980 0.173 -17.185 1.00 0.00 N ATOM 235 CA THR A 50 -34.165 -0.712 -17.359 1.00 0.00 C ATOM 236 C THR A 50 -34.678 -1.149 -15.985 1.00 0.00 C ATOM 237 O THR A 50 -33.971 -1.075 -14.999 1.00 0.00 O ATOM 238 CB THR A 50 -33.763 -1.947 -18.171 1.00 0.00 C ATOM 239 OG1 THR A 50 -33.046 -2.847 -17.339 1.00 0.00 O ATOM 240 CG2 THR A 50 -32.880 -1.522 -19.346 1.00 0.00 C ATOM 0 H THR A 50 -32.161 -0.274 -16.772 1.00 0.00 H new ATOM 0 HA THR A 50 -34.951 -0.171 -17.886 1.00 0.00 H new ATOM 0 HB THR A 50 -34.658 -2.439 -18.551 1.00 0.00 H new ATOM 0 HG1 THR A 50 -32.790 -3.638 -17.857 1.00 0.00 H new ATOM 0 HG21 THR A 50 -32.594 -2.401 -19.923 1.00 0.00 H new ATOM 0 HG22 THR A 50 -33.432 -0.832 -19.985 1.00 0.00 H new ATOM 0 HG23 THR A 50 -31.984 -1.029 -18.968 1.00 0.00 H new ATOM 248 N PRO A 51 -35.936 -1.611 -15.922 1.00 0.00 N ATOM 249 CA PRO A 51 -36.554 -2.060 -14.667 1.00 0.00 C ATOM 250 C PRO A 51 -35.918 -3.354 -14.151 1.00 0.00 C ATOM 251 O PRO A 51 -35.565 -3.462 -12.993 1.00 0.00 O ATOM 252 CB PRO A 51 -38.011 -2.311 -15.056 1.00 0.00 C ATOM 253 CG PRO A 51 -37.965 -2.585 -16.521 1.00 0.00 C ATOM 254 CD PRO A 51 -36.855 -1.733 -17.067 1.00 0.00 C ATOM 0 HA PRO A 51 -36.433 -1.330 -13.867 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -38.428 -3.155 -14.507 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -38.636 -1.446 -14.833 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -37.778 -3.641 -16.715 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -38.915 -2.338 -16.994 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -36.371 -2.201 -17.924 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -37.219 -0.760 -17.398 1.00 0.00 H new ATOM 262 N THR A 52 -35.766 -4.334 -14.998 1.00 0.00 N ATOM 263 CA THR A 52 -35.150 -5.614 -14.550 1.00 0.00 C ATOM 264 C THR A 52 -33.731 -5.344 -14.049 1.00 0.00 C ATOM 265 O THR A 52 -33.276 -5.935 -13.090 1.00 0.00 O ATOM 266 CB THR A 52 -35.103 -6.598 -15.722 1.00 0.00 C ATOM 267 OG1 THR A 52 -35.894 -6.096 -16.790 1.00 0.00 O ATOM 268 CG2 THR A 52 -35.648 -7.954 -15.272 1.00 0.00 C ATOM 0 H THR A 52 -36.041 -4.304 -15.980 1.00 0.00 H new ATOM 0 HA THR A 52 -35.745 -6.043 -13.744 1.00 0.00 H new ATOM 0 HB THR A 52 -34.073 -6.717 -16.058 1.00 0.00 H new ATOM 0 HG1 THR A 52 -35.864 -6.723 -17.542 1.00 0.00 H new ATOM 0 HG21 THR A 52 -35.615 -8.655 -16.106 1.00 0.00 H new ATOM 0 HG22 THR A 52 -35.040 -8.337 -14.452 1.00 0.00 H new ATOM 0 HG23 THR A 52 -36.679 -7.839 -14.936 1.00 0.00 H new ATOM 276 N LEU A 53 -33.031 -4.451 -14.690 1.00 0.00 N ATOM 277 CA LEU A 53 -31.643 -4.136 -14.250 1.00 0.00 C ATOM 278 C LEU A 53 -31.687 -3.534 -12.845 1.00 0.00 C ATOM 279 O LEU A 53 -30.932 -3.913 -11.973 1.00 0.00 O ATOM 280 CB LEU A 53 -31.016 -3.131 -15.217 1.00 0.00 C ATOM 281 CG LEU A 53 -29.538 -2.946 -14.873 1.00 0.00 C ATOM 282 CD1 LEU A 53 -28.769 -4.224 -15.218 1.00 0.00 C ATOM 283 CD2 LEU A 53 -28.969 -1.776 -15.679 1.00 0.00 C ATOM 0 H LEU A 53 -33.360 -3.925 -15.500 1.00 0.00 H new ATOM 0 HA LEU A 53 -31.045 -5.047 -14.240 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -31.120 -3.484 -16.243 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -31.537 -2.176 -15.154 1.00 0.00 H new ATOM 0 HG LEU A 53 -29.437 -2.737 -13.808 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -27.715 -4.092 -14.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -29.173 -5.058 -14.644 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -28.870 -4.433 -16.283 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.915 -1.644 -15.434 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -29.071 -1.984 -16.744 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -29.516 -0.865 -15.434 1.00 0.00 H new ATOM 295 N LEU A 54 -32.572 -2.602 -12.619 1.00 0.00 N ATOM 296 CA LEU A 54 -32.669 -1.980 -11.270 1.00 0.00 C ATOM 297 C LEU A 54 -33.079 -3.047 -10.253 1.00 0.00 C ATOM 298 O LEU A 54 -32.486 -3.176 -9.201 1.00 0.00 O ATOM 299 CB LEU A 54 -33.718 -0.868 -11.293 1.00 0.00 C ATOM 300 CG LEU A 54 -33.205 0.300 -12.139 1.00 0.00 C ATOM 301 CD1 LEU A 54 -34.321 0.787 -13.065 1.00 0.00 C ATOM 302 CD2 LEU A 54 -32.770 1.443 -11.218 1.00 0.00 C ATOM 0 H LEU A 54 -33.231 -2.245 -13.310 1.00 0.00 H new ATOM 0 HA LEU A 54 -31.703 -1.559 -10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -34.654 -1.245 -11.704 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -33.929 -0.531 -10.278 1.00 0.00 H new ATOM 0 HG LEU A 54 -32.355 -0.029 -12.737 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -33.957 1.619 -13.668 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -34.632 -0.027 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -35.171 1.117 -12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -32.404 2.276 -11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -33.620 1.773 -10.621 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -31.975 1.096 -10.558 1.00 0.00 H new ATOM 314 N ARG A 55 -34.089 -3.814 -10.560 1.00 0.00 N ATOM 315 CA ARG A 55 -34.532 -4.874 -9.614 1.00 0.00 C ATOM 316 C ARG A 55 -33.316 -5.673 -9.149 1.00 0.00 C ATOM 317 O ARG A 55 -33.218 -6.062 -8.002 1.00 0.00 O ATOM 318 CB ARG A 55 -35.518 -5.808 -10.317 1.00 0.00 C ATOM 319 CG ARG A 55 -36.831 -5.064 -10.570 1.00 0.00 C ATOM 320 CD ARG A 55 -37.852 -6.024 -11.184 1.00 0.00 C ATOM 321 NE ARG A 55 -38.947 -5.241 -11.824 1.00 0.00 N ATOM 322 CZ ARG A 55 -39.894 -5.856 -12.478 1.00 0.00 C ATOM 323 NH1 ARG A 55 -40.029 -7.150 -12.368 1.00 0.00 N ATOM 324 NH2 ARG A 55 -40.707 -5.178 -13.240 1.00 0.00 N ATOM 0 H ARG A 55 -34.626 -3.752 -11.425 1.00 0.00 H new ATOM 0 HA ARG A 55 -35.020 -4.416 -8.754 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -35.097 -6.156 -11.260 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -35.700 -6.691 -9.704 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -37.216 -4.656 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -36.660 -4.221 -11.239 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -37.368 -6.663 -11.922 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -38.260 -6.679 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 55 -38.956 -4.224 -11.751 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -39.394 -7.680 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -40.769 -7.631 -12.879 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -40.603 -4.167 -13.325 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -41.447 -5.659 -13.751 1.00 0.00 H new ATOM 338 N GLY A 56 -32.383 -5.916 -10.029 1.00 0.00 N ATOM 339 CA GLY A 56 -31.170 -6.684 -9.636 1.00 0.00 C ATOM 340 C GLY A 56 -30.253 -5.786 -8.805 1.00 0.00 C ATOM 341 O GLY A 56 -29.512 -6.249 -7.961 1.00 0.00 O ATOM 0 H GLY A 56 -32.409 -5.615 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -31.454 -7.566 -9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -30.645 -7.038 -10.524 1.00 0.00 H new ATOM 345 N ALA A 57 -30.299 -4.502 -9.036 1.00 0.00 N ATOM 346 CA ALA A 57 -29.434 -3.571 -8.259 1.00 0.00 C ATOM 347 C ALA A 57 -30.067 -3.312 -6.889 1.00 0.00 C ATOM 348 O ALA A 57 -29.462 -2.721 -6.018 1.00 0.00 O ATOM 349 CB ALA A 57 -29.298 -2.249 -9.018 1.00 0.00 C ATOM 0 H ALA A 57 -30.899 -4.058 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 57 -28.448 -4.015 -8.125 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -28.665 -1.567 -8.450 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -28.848 -2.434 -9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -30.284 -1.803 -9.152 1.00 0.00 H new ATOM 355 N PHE A 58 -31.282 -3.748 -6.694 1.00 0.00 N ATOM 356 CA PHE A 58 -31.955 -3.523 -5.382 1.00 0.00 C ATOM 357 C PHE A 58 -32.623 -4.820 -4.912 1.00 0.00 C ATOM 358 O PHE A 58 -33.227 -4.871 -3.860 1.00 0.00 O ATOM 359 CB PHE A 58 -33.017 -2.436 -5.538 1.00 0.00 C ATOM 360 CG PHE A 58 -32.346 -1.119 -5.847 1.00 0.00 C ATOM 361 CD1 PHE A 58 -32.020 -0.794 -7.170 1.00 0.00 C ATOM 362 CD2 PHE A 58 -32.050 -0.224 -4.813 1.00 0.00 C ATOM 363 CE1 PHE A 58 -31.398 0.427 -7.457 1.00 0.00 C ATOM 364 CE2 PHE A 58 -31.428 0.997 -5.100 1.00 0.00 C ATOM 365 CZ PHE A 58 -31.102 1.322 -6.422 1.00 0.00 C ATOM 0 H PHE A 58 -31.838 -4.250 -7.386 1.00 0.00 H new ATOM 0 HA PHE A 58 -31.214 -3.212 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -33.709 -2.700 -6.338 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -33.604 -2.352 -4.623 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -32.248 -1.485 -7.968 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -32.301 -0.475 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -31.147 0.678 -8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -31.200 1.688 -4.302 1.00 0.00 H new ATOM 0 HZ PHE A 58 -30.622 2.264 -6.644 1.00 0.00 H new ATOM 375 N SER A 59 -32.522 -5.867 -5.684 1.00 0.00 N ATOM 376 CA SER A 59 -33.152 -7.155 -5.281 1.00 0.00 C ATOM 377 C SER A 59 -32.382 -7.764 -4.106 1.00 0.00 C ATOM 378 O SER A 59 -32.946 -8.051 -3.069 1.00 0.00 O ATOM 379 CB SER A 59 -33.129 -8.127 -6.464 1.00 0.00 C ATOM 380 OG SER A 59 -33.238 -9.458 -5.984 1.00 0.00 O ATOM 0 H SER A 59 -32.030 -5.886 -6.577 1.00 0.00 H new ATOM 0 HA SER A 59 -34.183 -6.971 -4.979 1.00 0.00 H new ATOM 0 HB2 SER A 59 -33.950 -7.906 -7.146 1.00 0.00 H new ATOM 0 HB3 SER A 59 -32.205 -8.007 -7.029 1.00 0.00 H new ATOM 0 HG SER A 59 -33.225 -10.081 -6.741 1.00 0.00 H new ATOM 386 N PRO A 60 -31.065 -7.967 -4.274 1.00 0.00 N ATOM 387 CA PRO A 60 -30.216 -8.547 -3.225 1.00 0.00 C ATOM 388 C PRO A 60 -30.041 -7.593 -2.040 1.00 0.00 C ATOM 389 O PRO A 60 -29.748 -8.006 -0.936 1.00 0.00 O ATOM 390 CB PRO A 60 -28.874 -8.761 -3.926 1.00 0.00 C ATOM 391 CG PRO A 60 -28.873 -7.769 -5.040 1.00 0.00 C ATOM 392 CD PRO A 60 -30.300 -7.651 -5.494 1.00 0.00 C ATOM 0 HA PRO A 60 -30.646 -9.459 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -28.039 -8.594 -3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -28.780 -9.780 -4.302 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -28.490 -6.806 -4.704 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -28.231 -8.100 -5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -30.524 -6.650 -5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -30.525 -8.347 -6.303 1.00 0.00 H new ATOM 400 N PHE A 61 -30.218 -6.319 -2.261 1.00 0.00 N ATOM 401 CA PHE A 61 -30.061 -5.343 -1.147 1.00 0.00 C ATOM 402 C PHE A 61 -31.281 -5.419 -0.226 1.00 0.00 C ATOM 403 O PHE A 61 -31.271 -4.909 0.876 1.00 0.00 O ATOM 404 CB PHE A 61 -29.941 -3.930 -1.721 1.00 0.00 C ATOM 405 CG PHE A 61 -28.555 -3.732 -2.286 1.00 0.00 C ATOM 406 CD1 PHE A 61 -27.473 -3.512 -1.426 1.00 0.00 C ATOM 407 CD2 PHE A 61 -28.352 -3.770 -3.669 1.00 0.00 C ATOM 408 CE1 PHE A 61 -26.188 -3.329 -1.949 1.00 0.00 C ATOM 409 CE2 PHE A 61 -27.067 -3.587 -4.195 1.00 0.00 C ATOM 410 CZ PHE A 61 -25.985 -3.367 -3.335 1.00 0.00 C ATOM 0 H PHE A 61 -30.464 -5.913 -3.164 1.00 0.00 H new ATOM 0 HA PHE A 61 -29.162 -5.581 -0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -30.688 -3.778 -2.500 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -30.137 -3.192 -0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -27.630 -3.483 -0.358 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -29.187 -3.941 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -25.353 -3.159 -1.285 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -26.911 -3.616 -5.263 1.00 0.00 H new ATOM 0 HZ PHE A 61 -24.994 -3.227 -3.740 1.00 0.00 H new ATOM 420 N GLY A 62 -32.333 -6.053 -0.670 1.00 0.00 N ATOM 421 CA GLY A 62 -33.551 -6.160 0.183 1.00 0.00 C ATOM 422 C GLY A 62 -34.789 -6.282 -0.707 1.00 0.00 C ATOM 423 O GLY A 62 -34.698 -6.283 -1.918 1.00 0.00 O ATOM 0 H GLY A 62 -32.401 -6.500 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -33.474 -7.028 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -33.637 -5.283 0.825 1.00 0.00 H new ATOM 427 N ASN A 63 -35.948 -6.386 -0.116 1.00 0.00 N ATOM 428 CA ASN A 63 -37.192 -6.507 -0.928 1.00 0.00 C ATOM 429 C ASN A 63 -37.793 -5.119 -1.153 1.00 0.00 C ATOM 430 O ASN A 63 -37.819 -4.291 -0.264 1.00 0.00 O ATOM 431 CB ASN A 63 -38.201 -7.386 -0.186 1.00 0.00 C ATOM 432 CG ASN A 63 -37.656 -8.811 -0.082 1.00 0.00 C ATOM 433 OD1 ASN A 63 -36.712 -9.164 -0.761 1.00 0.00 O ATOM 434 ND2 ASN A 63 -38.212 -9.651 0.748 1.00 0.00 N ATOM 0 H ASN A 63 -36.087 -6.392 0.894 1.00 0.00 H new ATOM 0 HA ASN A 63 -36.954 -6.959 -1.891 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -38.388 -6.983 0.809 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -39.155 -7.388 -0.713 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -37.854 -10.603 0.826 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -39.004 -9.355 1.318 1.00 0.00 H new ATOM 441 N ILE A 64 -38.278 -4.856 -2.336 1.00 0.00 N ATOM 442 CA ILE A 64 -38.875 -3.520 -2.616 1.00 0.00 C ATOM 443 C ILE A 64 -40.401 -3.619 -2.556 1.00 0.00 C ATOM 444 O ILE A 64 -41.005 -4.453 -3.200 1.00 0.00 O ATOM 445 CB ILE A 64 -38.451 -3.053 -4.010 1.00 0.00 C ATOM 446 CG1 ILE A 64 -36.924 -3.002 -4.088 1.00 0.00 C ATOM 447 CG2 ILE A 64 -39.021 -1.659 -4.277 1.00 0.00 C ATOM 448 CD1 ILE A 64 -36.487 -3.023 -5.554 1.00 0.00 C ATOM 0 H ILE A 64 -38.286 -5.508 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 64 -38.527 -2.805 -1.871 1.00 0.00 H new ATOM 0 HB ILE A 64 -38.831 -3.750 -4.757 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -36.554 -2.100 -3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -36.494 -3.851 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -38.719 -1.326 -5.270 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -40.109 -1.694 -4.221 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -38.642 -0.962 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -35.399 -2.987 -5.610 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -36.844 -3.938 -6.027 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -36.906 -2.160 -6.071 1.00 0.00 H new ATOM 460 N ILE A 65 -41.029 -2.772 -1.786 1.00 0.00 N ATOM 461 CA ILE A 65 -42.514 -2.816 -1.685 1.00 0.00 C ATOM 462 C ILE A 65 -43.127 -2.156 -2.921 1.00 0.00 C ATOM 463 O ILE A 65 -44.217 -2.491 -3.339 1.00 0.00 O ATOM 464 CB ILE A 65 -42.962 -2.064 -0.430 1.00 0.00 C ATOM 465 CG1 ILE A 65 -42.744 -0.563 -0.630 1.00 0.00 C ATOM 466 CG2 ILE A 65 -42.144 -2.543 0.770 1.00 0.00 C ATOM 467 CD1 ILE A 65 -43.352 0.202 0.547 1.00 0.00 C ATOM 0 H ILE A 65 -40.577 -2.052 -1.223 1.00 0.00 H new ATOM 0 HA ILE A 65 -42.845 -3.853 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 65 -44.019 -2.256 -0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -41.678 -0.347 -0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -43.203 -0.239 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -42.463 -2.008 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -42.299 -3.612 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -41.086 -2.351 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -43.197 1.272 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -44.421 -0.005 0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -42.872 -0.114 1.473 1.00 0.00 H new ATOM 479 N ASP A 66 -42.433 -1.221 -3.509 1.00 0.00 N ATOM 480 CA ASP A 66 -42.974 -0.540 -4.717 1.00 0.00 C ATOM 481 C ASP A 66 -41.820 -0.128 -5.633 1.00 0.00 C ATOM 482 O ASP A 66 -40.833 0.427 -5.192 1.00 0.00 O ATOM 483 CB ASP A 66 -43.757 0.704 -4.293 1.00 0.00 C ATOM 484 CG ASP A 66 -44.427 1.329 -5.520 1.00 0.00 C ATOM 485 OD1 ASP A 66 -44.360 0.727 -6.578 1.00 0.00 O ATOM 486 OD2 ASP A 66 -44.993 2.401 -5.379 1.00 0.00 O ATOM 0 H ASP A 66 -41.514 -0.899 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 66 -43.635 -1.222 -5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -44.510 0.438 -3.551 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -43.088 1.425 -3.824 1.00 0.00 H new ATOM 491 N LEU A 67 -41.936 -0.395 -6.905 1.00 0.00 N ATOM 492 CA LEU A 67 -40.846 -0.018 -7.847 1.00 0.00 C ATOM 493 C LEU A 67 -41.403 0.930 -8.910 1.00 0.00 C ATOM 494 O LEU A 67 -42.354 0.617 -9.599 1.00 0.00 O ATOM 495 CB LEU A 67 -40.298 -1.278 -8.522 1.00 0.00 C ATOM 496 CG LEU A 67 -39.126 -0.900 -9.432 1.00 0.00 C ATOM 497 CD1 LEU A 67 -37.977 -1.889 -9.222 1.00 0.00 C ATOM 498 CD2 LEU A 67 -39.579 -0.947 -10.892 1.00 0.00 C ATOM 0 H LEU A 67 -42.738 -0.858 -7.332 1.00 0.00 H new ATOM 0 HA LEU A 67 -40.044 0.478 -7.300 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -39.971 -1.994 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -41.082 -1.763 -9.103 1.00 0.00 H new ATOM 0 HG LEU A 67 -38.787 0.107 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -37.143 -1.620 -9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -37.654 -1.856 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -38.315 -2.896 -9.465 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -38.745 -0.678 -11.540 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -39.918 -1.954 -11.136 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -40.397 -0.243 -11.042 1.00 0.00 H new ATOM 510 N SER A 68 -40.820 2.090 -9.049 1.00 0.00 N ATOM 511 CA SER A 68 -41.322 3.058 -10.065 1.00 0.00 C ATOM 512 C SER A 68 -40.210 3.372 -11.069 1.00 0.00 C ATOM 513 O SER A 68 -39.039 3.234 -10.777 1.00 0.00 O ATOM 514 CB SER A 68 -41.759 4.348 -9.368 1.00 0.00 C ATOM 515 OG SER A 68 -42.509 5.144 -10.272 1.00 0.00 O ATOM 0 H SER A 68 -40.019 2.409 -8.504 1.00 0.00 H new ATOM 0 HA SER A 68 -42.172 2.622 -10.591 1.00 0.00 H new ATOM 0 HB2 SER A 68 -42.359 4.113 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 68 -40.886 4.899 -9.020 1.00 0.00 H new ATOM 0 HG SER A 68 -42.790 5.970 -9.825 1.00 0.00 H new ATOM 521 N MET A 69 -40.569 3.798 -12.249 1.00 0.00 N ATOM 522 CA MET A 69 -39.536 4.124 -13.273 1.00 0.00 C ATOM 523 C MET A 69 -39.851 5.486 -13.895 1.00 0.00 C ATOM 524 O MET A 69 -40.996 5.833 -14.103 1.00 0.00 O ATOM 525 CB MET A 69 -39.544 3.051 -14.364 1.00 0.00 C ATOM 526 CG MET A 69 -39.103 1.712 -13.767 1.00 0.00 C ATOM 527 SD MET A 69 -37.453 1.888 -13.047 1.00 0.00 S ATOM 528 CE MET A 69 -36.572 2.247 -14.586 1.00 0.00 C ATOM 0 H MET A 69 -41.534 3.935 -12.549 1.00 0.00 H new ATOM 0 HA MET A 69 -38.553 4.156 -12.803 1.00 0.00 H new ATOM 0 HB2 MET A 69 -40.543 2.959 -14.791 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.875 3.337 -15.175 1.00 0.00 H new ATOM 0 HG2 MET A 69 -39.812 1.391 -13.004 1.00 0.00 H new ATOM 0 HG3 MET A 69 -39.095 0.942 -14.539 1.00 0.00 H new ATOM 0 HE1 MET A 69 -35.877 3.071 -14.424 1.00 0.00 H new ATOM 0 HE2 MET A 69 -36.019 1.363 -14.903 1.00 0.00 H new ATOM 0 HE3 MET A 69 -37.289 2.524 -15.359 1.00 0.00 H new ATOM 538 N ASP A 70 -38.846 6.264 -14.189 1.00 0.00 N ATOM 539 CA ASP A 70 -39.094 7.605 -14.793 1.00 0.00 C ATOM 540 C ASP A 70 -38.408 7.686 -16.159 1.00 0.00 C ATOM 541 O ASP A 70 -37.270 8.099 -16.267 1.00 0.00 O ATOM 542 CB ASP A 70 -38.529 8.690 -13.875 1.00 0.00 C ATOM 543 CG ASP A 70 -39.614 9.729 -13.584 1.00 0.00 C ATOM 544 OD1 ASP A 70 -40.739 9.327 -13.335 1.00 0.00 O ATOM 545 OD2 ASP A 70 -39.302 10.908 -13.613 1.00 0.00 O ATOM 0 H ASP A 70 -37.865 6.030 -14.038 1.00 0.00 H new ATOM 0 HA ASP A 70 -40.167 7.754 -14.916 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -38.177 8.246 -12.944 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -37.670 9.168 -14.345 1.00 0.00 H new ATOM 550 N PRO A 71 -39.121 7.285 -17.223 1.00 0.00 N ATOM 551 CA PRO A 71 -38.584 7.314 -18.584 1.00 0.00 C ATOM 552 C PRO A 71 -38.505 8.733 -19.185 1.00 0.00 C ATOM 553 O PRO A 71 -37.666 8.991 -20.025 1.00 0.00 O ATOM 554 CB PRO A 71 -39.560 6.448 -19.377 1.00 0.00 C ATOM 555 CG PRO A 71 -40.845 6.499 -18.618 1.00 0.00 C ATOM 556 CD PRO A 71 -40.502 6.769 -17.175 1.00 0.00 C ATOM 0 HA PRO A 71 -37.555 6.956 -18.607 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -39.687 6.828 -20.391 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -39.196 5.424 -19.464 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -41.493 7.282 -19.012 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -41.386 5.558 -18.715 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -41.184 7.495 -16.733 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -40.568 5.862 -16.573 1.00 0.00 H new ATOM 564 N PRO A 72 -39.379 9.678 -18.768 1.00 0.00 N ATOM 565 CA PRO A 72 -39.349 11.042 -19.308 1.00 0.00 C ATOM 566 C PRO A 72 -38.190 11.858 -18.726 1.00 0.00 C ATOM 567 O PRO A 72 -37.725 12.808 -19.324 1.00 0.00 O ATOM 568 CB PRO A 72 -40.677 11.642 -18.859 1.00 0.00 C ATOM 569 CG PRO A 72 -41.051 10.879 -17.634 1.00 0.00 C ATOM 570 CD PRO A 72 -40.446 9.506 -17.762 1.00 0.00 C ATOM 0 HA PRO A 72 -39.209 11.046 -20.389 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -40.577 12.706 -18.646 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -41.437 11.542 -19.634 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -40.680 11.381 -16.740 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -42.135 10.814 -17.537 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -40.045 9.156 -16.811 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -41.185 8.773 -18.085 1.00 0.00 H new ATOM 578 N ARG A 73 -37.724 11.497 -17.562 1.00 0.00 N ATOM 579 CA ARG A 73 -36.601 12.253 -16.941 1.00 0.00 C ATOM 580 C ARG A 73 -35.387 11.335 -16.781 1.00 0.00 C ATOM 581 O ARG A 73 -34.367 11.725 -16.247 1.00 0.00 O ATOM 582 CB ARG A 73 -37.034 12.769 -15.567 1.00 0.00 C ATOM 583 CG ARG A 73 -38.170 13.780 -15.737 1.00 0.00 C ATOM 584 CD ARG A 73 -38.483 14.427 -14.385 1.00 0.00 C ATOM 585 NE ARG A 73 -39.711 15.260 -14.505 1.00 0.00 N ATOM 586 CZ ARG A 73 -40.889 14.703 -14.426 1.00 0.00 C ATOM 587 NH1 ARG A 73 -41.500 14.631 -13.275 1.00 0.00 N ATOM 588 NH2 ARG A 73 -41.456 14.218 -15.497 1.00 0.00 N ATOM 0 H ARG A 73 -38.073 10.711 -17.014 1.00 0.00 H new ATOM 0 HA ARG A 73 -36.335 13.094 -17.581 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -37.362 11.939 -14.942 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -36.190 13.236 -15.059 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -37.886 14.544 -16.461 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -39.058 13.283 -16.129 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -38.625 13.658 -13.626 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -37.644 15.042 -14.061 1.00 0.00 H new ATOM 0 HE ARG A 73 -39.632 16.267 -14.649 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -41.057 15.010 -12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -42.420 14.196 -13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -40.979 14.274 -16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -42.376 13.783 -15.434 1.00 0.00 H new ATOM 602 N ASN A 74 -35.487 10.115 -17.237 1.00 0.00 N ATOM 603 CA ASN A 74 -34.337 9.176 -17.108 1.00 0.00 C ATOM 604 C ASN A 74 -34.030 8.947 -15.628 1.00 0.00 C ATOM 605 O ASN A 74 -32.885 8.894 -15.223 1.00 0.00 O ATOM 606 CB ASN A 74 -33.110 9.775 -17.798 1.00 0.00 C ATOM 607 CG ASN A 74 -33.398 9.955 -19.289 1.00 0.00 C ATOM 608 OD1 ASN A 74 -34.331 9.379 -19.814 1.00 0.00 O ATOM 609 ND2 ASN A 74 -32.631 10.736 -20.000 1.00 0.00 N ATOM 0 H ASN A 74 -36.314 9.729 -17.692 1.00 0.00 H new ATOM 0 HA ASN A 74 -34.589 8.225 -17.578 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -32.859 10.735 -17.347 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -32.248 9.123 -17.660 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -32.815 10.863 -20.995 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -31.848 11.220 -19.560 1.00 0.00 H new ATOM 616 N CYS A 75 -35.043 8.810 -14.816 1.00 0.00 N ATOM 617 CA CYS A 75 -34.806 8.583 -13.362 1.00 0.00 C ATOM 618 C CYS A 75 -35.682 7.426 -12.878 1.00 0.00 C ATOM 619 O CYS A 75 -36.578 6.983 -13.567 1.00 0.00 O ATOM 620 CB CYS A 75 -35.162 9.853 -12.584 1.00 0.00 C ATOM 621 SG CYS A 75 -34.597 11.304 -13.507 1.00 0.00 S ATOM 0 H CYS A 75 -36.023 8.845 -15.096 1.00 0.00 H new ATOM 0 HA CYS A 75 -33.757 8.338 -13.198 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -36.239 9.906 -12.426 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -34.696 9.831 -11.599 1.00 0.00 H new ATOM 0 HG CYS A 75 -34.481 12.315 -12.698 1.00 0.00 H new ATOM 627 N ALA A 76 -35.429 6.932 -11.696 1.00 0.00 N ATOM 628 CA ALA A 76 -36.247 5.802 -11.171 1.00 0.00 C ATOM 629 C ALA A 76 -36.346 5.909 -9.647 1.00 0.00 C ATOM 630 O ALA A 76 -35.473 6.447 -8.995 1.00 0.00 O ATOM 631 CB ALA A 76 -35.586 4.476 -11.548 1.00 0.00 C ATOM 0 H ALA A 76 -34.692 7.262 -11.072 1.00 0.00 H new ATOM 0 HA ALA A 76 -37.247 5.845 -11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -36.184 3.649 -11.164 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -35.516 4.400 -12.633 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -34.586 4.432 -11.116 1.00 0.00 H new ATOM 637 N PHE A 77 -37.402 5.400 -9.074 1.00 0.00 N ATOM 638 CA PHE A 77 -37.556 5.473 -7.594 1.00 0.00 C ATOM 639 C PHE A 77 -37.539 4.058 -7.011 1.00 0.00 C ATOM 640 O PHE A 77 -38.193 3.163 -7.507 1.00 0.00 O ATOM 641 CB PHE A 77 -38.884 6.150 -7.251 1.00 0.00 C ATOM 642 CG PHE A 77 -38.896 7.548 -7.821 1.00 0.00 C ATOM 643 CD1 PHE A 77 -38.318 8.602 -7.104 1.00 0.00 C ATOM 644 CD2 PHE A 77 -39.486 7.791 -9.068 1.00 0.00 C ATOM 645 CE1 PHE A 77 -38.330 9.898 -7.633 1.00 0.00 C ATOM 646 CE2 PHE A 77 -39.497 9.087 -9.597 1.00 0.00 C ATOM 647 CZ PHE A 77 -38.919 10.140 -8.880 1.00 0.00 C ATOM 0 H PHE A 77 -38.165 4.937 -9.567 1.00 0.00 H new ATOM 0 HA PHE A 77 -36.735 6.051 -7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -39.715 5.573 -7.657 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -39.018 6.185 -6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -37.863 8.415 -6.143 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -39.933 6.978 -9.621 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -37.885 10.711 -7.079 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -39.952 9.274 -10.559 1.00 0.00 H new ATOM 0 HZ PHE A 77 -38.927 11.140 -9.288 1.00 0.00 H new ATOM 657 N VAL A 78 -36.795 3.850 -5.959 1.00 0.00 N ATOM 658 CA VAL A 78 -36.735 2.493 -5.346 1.00 0.00 C ATOM 659 C VAL A 78 -37.255 2.559 -3.908 1.00 0.00 C ATOM 660 O VAL A 78 -36.889 3.431 -3.144 1.00 0.00 O ATOM 661 CB VAL A 78 -35.287 2.001 -5.341 1.00 0.00 C ATOM 662 CG1 VAL A 78 -35.250 0.527 -4.933 1.00 0.00 C ATOM 663 CG2 VAL A 78 -34.689 2.160 -6.740 1.00 0.00 C ATOM 0 H VAL A 78 -36.227 4.561 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 78 -37.352 1.805 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 78 -34.706 2.588 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -34.218 0.176 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -35.675 0.415 -3.935 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -35.831 -0.062 -5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -33.657 1.809 -6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -35.269 1.574 -7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -34.714 3.211 -7.029 1.00 0.00 H new ATOM 673 N THR A 79 -38.103 1.641 -3.532 1.00 0.00 N ATOM 674 CA THR A 79 -38.644 1.649 -2.144 1.00 0.00 C ATOM 675 C THR A 79 -38.177 0.388 -1.412 1.00 0.00 C ATOM 676 O THR A 79 -38.234 -0.704 -1.942 1.00 0.00 O ATOM 677 CB THR A 79 -40.173 1.676 -2.190 1.00 0.00 C ATOM 678 OG1 THR A 79 -40.601 2.767 -2.995 1.00 0.00 O ATOM 679 CG2 THR A 79 -40.727 1.837 -0.774 1.00 0.00 C ATOM 0 H THR A 79 -38.444 0.886 -4.126 1.00 0.00 H new ATOM 0 HA THR A 79 -38.283 2.533 -1.617 1.00 0.00 H new ATOM 0 HB THR A 79 -40.540 0.742 -2.616 1.00 0.00 H new ATOM 0 HG1 THR A 79 -41.580 2.785 -3.027 1.00 0.00 H new ATOM 0 HG21 THR A 79 -41.816 1.856 -0.809 1.00 0.00 H new ATOM 0 HG22 THR A 79 -40.399 1.000 -0.157 1.00 0.00 H new ATOM 0 HG23 THR A 79 -40.362 2.770 -0.344 1.00 0.00 H new ATOM 687 N TYR A 80 -37.714 0.529 -0.200 1.00 0.00 N ATOM 688 CA TYR A 80 -37.243 -0.664 0.559 1.00 0.00 C ATOM 689 C TYR A 80 -38.126 -0.867 1.792 1.00 0.00 C ATOM 690 O TYR A 80 -38.467 0.071 2.485 1.00 0.00 O ATOM 691 CB TYR A 80 -35.795 -0.447 1.002 1.00 0.00 C ATOM 692 CG TYR A 80 -34.857 -0.978 -0.057 1.00 0.00 C ATOM 693 CD1 TYR A 80 -35.098 -2.224 -0.648 1.00 0.00 C ATOM 694 CD2 TYR A 80 -33.745 -0.221 -0.446 1.00 0.00 C ATOM 695 CE1 TYR A 80 -34.227 -2.713 -1.629 1.00 0.00 C ATOM 696 CE2 TYR A 80 -32.874 -0.711 -1.427 1.00 0.00 C ATOM 697 CZ TYR A 80 -33.115 -1.956 -2.018 1.00 0.00 C ATOM 698 OH TYR A 80 -32.256 -2.438 -2.985 1.00 0.00 O ATOM 0 H TYR A 80 -37.642 1.417 0.297 1.00 0.00 H new ATOM 0 HA TYR A 80 -37.301 -1.546 -0.079 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -35.610 0.614 1.167 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -35.614 -0.954 1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -35.955 -2.808 -0.347 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -33.559 0.740 0.010 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -34.413 -3.674 -2.086 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -32.016 -0.128 -1.727 1.00 0.00 H new ATOM 0 HH TYR A 80 -31.731 -1.698 -3.355 1.00 0.00 H new ATOM 708 N GLU A 81 -38.494 -2.086 2.075 1.00 0.00 N ATOM 709 CA GLU A 81 -39.349 -2.347 3.267 1.00 0.00 C ATOM 710 C GLU A 81 -38.542 -2.070 4.537 1.00 0.00 C ATOM 711 O GLU A 81 -39.086 -1.733 5.570 1.00 0.00 O ATOM 712 CB GLU A 81 -39.803 -3.808 3.260 1.00 0.00 C ATOM 713 CG GLU A 81 -40.802 -4.037 4.396 1.00 0.00 C ATOM 714 CD GLU A 81 -41.159 -5.523 4.471 1.00 0.00 C ATOM 715 OE1 GLU A 81 -40.624 -6.281 3.678 1.00 0.00 O ATOM 716 OE2 GLU A 81 -41.962 -5.878 5.319 1.00 0.00 O ATOM 0 H GLU A 81 -38.240 -2.912 1.533 1.00 0.00 H new ATOM 0 HA GLU A 81 -40.223 -1.696 3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -40.263 -4.053 2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -38.943 -4.468 3.379 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -40.374 -3.707 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -41.701 -3.444 4.229 1.00 0.00 H new ATOM 723 N LYS A 82 -37.246 -2.208 4.466 1.00 0.00 N ATOM 724 CA LYS A 82 -36.400 -1.952 5.665 1.00 0.00 C ATOM 725 C LYS A 82 -35.465 -0.774 5.385 1.00 0.00 C ATOM 726 O LYS A 82 -34.865 -0.683 4.332 1.00 0.00 O ATOM 727 CB LYS A 82 -35.570 -3.198 5.979 1.00 0.00 C ATOM 728 CG LYS A 82 -36.502 -4.356 6.342 1.00 0.00 C ATOM 729 CD LYS A 82 -35.669 -5.561 6.784 1.00 0.00 C ATOM 730 CE LYS A 82 -36.584 -6.772 6.974 1.00 0.00 C ATOM 731 NZ LYS A 82 -37.476 -6.541 8.146 1.00 0.00 N ATOM 0 H LYS A 82 -36.736 -2.487 3.628 1.00 0.00 H new ATOM 0 HA LYS A 82 -37.038 -1.716 6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -34.958 -3.466 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -34.887 -2.995 6.804 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -37.179 -4.055 7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -37.120 -4.622 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -34.906 -5.782 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -35.149 -5.335 7.715 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -37.180 -6.935 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -35.988 -7.671 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -37.964 -7.426 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -36.908 -6.223 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -38.179 -5.813 7.909 1.00 0.00 H new ATOM 745 N MET A 83 -35.335 0.129 6.317 1.00 0.00 N ATOM 746 CA MET A 83 -34.438 1.299 6.101 1.00 0.00 C ATOM 747 C MET A 83 -32.996 0.813 5.937 1.00 0.00 C ATOM 748 O MET A 83 -32.190 1.443 5.283 1.00 0.00 O ATOM 749 CB MET A 83 -34.526 2.240 7.305 1.00 0.00 C ATOM 750 CG MET A 83 -35.967 2.732 7.461 1.00 0.00 C ATOM 751 SD MET A 83 -36.050 3.939 8.808 1.00 0.00 S ATOM 752 CE MET A 83 -35.527 2.829 10.138 1.00 0.00 C ATOM 0 H MET A 83 -35.811 0.107 7.219 1.00 0.00 H new ATOM 0 HA MET A 83 -34.746 1.832 5.201 1.00 0.00 H new ATOM 0 HB2 MET A 83 -34.207 1.722 8.209 1.00 0.00 H new ATOM 0 HB3 MET A 83 -33.854 3.087 7.169 1.00 0.00 H new ATOM 0 HG2 MET A 83 -36.311 3.185 6.531 1.00 0.00 H new ATOM 0 HG3 MET A 83 -36.629 1.892 7.670 1.00 0.00 H new ATOM 0 HE1 MET A 83 -36.027 3.111 11.065 1.00 0.00 H new ATOM 0 HE2 MET A 83 -35.791 1.803 9.881 1.00 0.00 H new ATOM 0 HE3 MET A 83 -34.448 2.903 10.271 1.00 0.00 H new ATOM 762 N GLU A 84 -32.667 -0.304 6.524 1.00 0.00 N ATOM 763 CA GLU A 84 -31.278 -0.830 6.400 1.00 0.00 C ATOM 764 C GLU A 84 -31.033 -1.290 4.961 1.00 0.00 C ATOM 765 O GLU A 84 -29.912 -1.328 4.494 1.00 0.00 O ATOM 766 CB GLU A 84 -31.092 -2.014 7.351 1.00 0.00 C ATOM 767 CG GLU A 84 -31.181 -1.525 8.798 1.00 0.00 C ATOM 768 CD GLU A 84 -30.865 -2.682 9.748 1.00 0.00 C ATOM 769 OE1 GLU A 84 -30.776 -3.803 9.275 1.00 0.00 O ATOM 770 OE2 GLU A 84 -30.720 -2.428 10.932 1.00 0.00 O ATOM 0 H GLU A 84 -33.299 -0.876 7.084 1.00 0.00 H new ATOM 0 HA GLU A 84 -30.569 -0.043 6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -31.856 -2.768 7.163 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -30.126 -2.488 7.175 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -30.480 -0.706 8.960 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -32.179 -1.136 9.001 1.00 0.00 H new ATOM 777 N SER A 85 -32.074 -1.640 4.256 1.00 0.00 N ATOM 778 CA SER A 85 -31.900 -2.097 2.848 1.00 0.00 C ATOM 779 C SER A 85 -31.557 -0.898 1.961 1.00 0.00 C ATOM 780 O SER A 85 -30.897 -1.031 0.951 1.00 0.00 O ATOM 781 CB SER A 85 -33.197 -2.741 2.356 1.00 0.00 C ATOM 782 OG SER A 85 -33.589 -3.767 3.256 1.00 0.00 O ATOM 0 H SER A 85 -33.036 -1.629 4.594 1.00 0.00 H new ATOM 0 HA SER A 85 -31.092 -2.827 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 85 -33.983 -1.989 2.281 1.00 0.00 H new ATOM 0 HB3 SER A 85 -33.054 -3.154 1.357 1.00 0.00 H new ATOM 0 HG SER A 85 -34.421 -4.178 2.941 1.00 0.00 H new ATOM 788 N ALA A 86 -32.000 0.271 2.333 1.00 0.00 N ATOM 789 CA ALA A 86 -31.699 1.477 1.513 1.00 0.00 C ATOM 790 C ALA A 86 -30.273 1.948 1.802 1.00 0.00 C ATOM 791 O ALA A 86 -29.542 2.331 0.910 1.00 0.00 O ATOM 792 CB ALA A 86 -32.687 2.592 1.865 1.00 0.00 C ATOM 0 H ALA A 86 -32.558 0.443 3.170 1.00 0.00 H new ATOM 0 HA ALA A 86 -31.792 1.230 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -32.468 3.475 1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -33.703 2.256 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -32.595 2.839 2.923 1.00 0.00 H new ATOM 798 N ASP A 87 -29.872 1.923 3.044 1.00 0.00 N ATOM 799 CA ASP A 87 -28.494 2.371 3.390 1.00 0.00 C ATOM 800 C ASP A 87 -27.477 1.367 2.842 1.00 0.00 C ATOM 801 O ASP A 87 -26.399 1.732 2.414 1.00 0.00 O ATOM 802 CB ASP A 87 -28.354 2.459 4.911 1.00 0.00 C ATOM 803 CG ASP A 87 -27.012 3.103 5.264 1.00 0.00 C ATOM 804 OD1 ASP A 87 -26.346 3.573 4.355 1.00 0.00 O ATOM 805 OD2 ASP A 87 -26.672 3.114 6.436 1.00 0.00 O ATOM 0 H ASP A 87 -30.439 1.612 3.833 1.00 0.00 H new ATOM 0 HA ASP A 87 -28.310 3.351 2.950 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -29.172 3.046 5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -28.419 1.464 5.351 1.00 0.00 H new ATOM 810 N GLN A 88 -27.810 0.107 2.851 1.00 0.00 N ATOM 811 CA GLN A 88 -26.862 -0.918 2.331 1.00 0.00 C ATOM 812 C GLN A 88 -26.758 -0.793 0.812 1.00 0.00 C ATOM 813 O GLN A 88 -25.695 -0.931 0.237 1.00 0.00 O ATOM 814 CB GLN A 88 -27.370 -2.315 2.694 1.00 0.00 C ATOM 815 CG GLN A 88 -26.340 -3.361 2.262 1.00 0.00 C ATOM 816 CD GLN A 88 -26.851 -4.759 2.616 1.00 0.00 C ATOM 817 OE1 GLN A 88 -27.880 -4.900 3.247 1.00 0.00 O ATOM 818 NE2 GLN A 88 -26.171 -5.806 2.235 1.00 0.00 N ATOM 0 H GLN A 88 -28.698 -0.258 3.196 1.00 0.00 H new ATOM 0 HA GLN A 88 -25.879 -0.762 2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -27.544 -2.383 3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -28.325 -2.505 2.204 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -26.161 -3.289 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -25.387 -3.175 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -25.307 -5.688 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.503 -6.742 2.467 1.00 0.00 H new ATOM 827 N ALA A 89 -27.853 -0.532 0.156 1.00 0.00 N ATOM 828 CA ALA A 89 -27.820 -0.396 -1.327 1.00 0.00 C ATOM 829 C ALA A 89 -27.176 0.940 -1.700 1.00 0.00 C ATOM 830 O ALA A 89 -26.434 1.037 -2.657 1.00 0.00 O ATOM 831 CB ALA A 89 -29.247 -0.447 -1.876 1.00 0.00 C ATOM 0 H ALA A 89 -28.771 -0.407 0.583 1.00 0.00 H new ATOM 0 HA ALA A 89 -27.238 -1.212 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -29.223 -0.347 -2.961 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -29.706 -1.399 -1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -29.830 0.369 -1.450 1.00 0.00 H new ATOM 837 N VAL A 90 -27.452 1.972 -0.950 1.00 0.00 N ATOM 838 CA VAL A 90 -26.852 3.300 -1.260 1.00 0.00 C ATOM 839 C VAL A 90 -25.340 3.240 -1.038 1.00 0.00 C ATOM 840 O VAL A 90 -24.584 3.974 -1.644 1.00 0.00 O ATOM 841 CB VAL A 90 -27.458 4.362 -0.340 1.00 0.00 C ATOM 842 CG1 VAL A 90 -26.700 5.680 -0.513 1.00 0.00 C ATOM 843 CG2 VAL A 90 -28.931 4.570 -0.698 1.00 0.00 C ATOM 0 H VAL A 90 -28.067 1.953 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 90 -27.059 3.557 -2.299 1.00 0.00 H new ATOM 0 HB VAL A 90 -27.380 4.031 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -27.132 6.437 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -25.651 5.533 -0.256 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -26.777 6.011 -1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -29.362 5.327 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -29.011 4.900 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -29.472 3.632 -0.574 1.00 0.00 H new ATOM 853 N ALA A 91 -24.893 2.371 -0.173 1.00 0.00 N ATOM 854 CA ALA A 91 -23.431 2.266 0.087 1.00 0.00 C ATOM 855 C ALA A 91 -22.772 1.447 -1.025 1.00 0.00 C ATOM 856 O ALA A 91 -21.648 1.700 -1.413 1.00 0.00 O ATOM 857 CB ALA A 91 -23.200 1.575 1.433 1.00 0.00 C ATOM 0 H ALA A 91 -25.477 1.730 0.364 1.00 0.00 H new ATOM 0 HA ALA A 91 -22.994 3.264 0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -22.130 1.498 1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -23.669 2.157 2.226 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -23.637 0.577 1.409 1.00 0.00 H new ATOM 863 N GLU A 92 -23.461 0.465 -1.539 1.00 0.00 N ATOM 864 CA GLU A 92 -22.872 -0.368 -2.624 1.00 0.00 C ATOM 865 C GLU A 92 -23.320 0.167 -3.984 1.00 0.00 C ATOM 866 O GLU A 92 -22.530 0.316 -4.895 1.00 0.00 O ATOM 867 CB GLU A 92 -23.340 -1.816 -2.466 1.00 0.00 C ATOM 868 CG GLU A 92 -22.748 -2.406 -1.184 1.00 0.00 C ATOM 869 CD GLU A 92 -23.067 -3.901 -1.115 1.00 0.00 C ATOM 870 OE1 GLU A 92 -23.736 -4.385 -2.013 1.00 0.00 O ATOM 871 OE2 GLU A 92 -22.637 -4.534 -0.166 1.00 0.00 O ATOM 0 H GLU A 92 -24.405 0.204 -1.255 1.00 0.00 H new ATOM 0 HA GLU A 92 -21.785 -0.327 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -24.429 -1.856 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -23.029 -2.406 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.669 -2.252 -1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -23.158 -1.895 -0.313 1.00 0.00 H new ATOM 878 N LEU A 93 -24.583 0.458 -4.132 1.00 0.00 N ATOM 879 CA LEU A 93 -25.078 0.983 -5.436 1.00 0.00 C ATOM 880 C LEU A 93 -24.419 2.332 -5.729 1.00 0.00 C ATOM 881 O LEU A 93 -24.064 2.629 -6.852 1.00 0.00 O ATOM 882 CB LEU A 93 -26.597 1.162 -5.372 1.00 0.00 C ATOM 883 CG LEU A 93 -27.260 -0.194 -5.123 1.00 0.00 C ATOM 884 CD1 LEU A 93 -28.771 -0.065 -5.319 1.00 0.00 C ATOM 885 CD2 LEU A 93 -26.702 -1.224 -6.107 1.00 0.00 C ATOM 0 H LEU A 93 -25.293 0.355 -3.407 1.00 0.00 H new ATOM 0 HA LEU A 93 -24.828 0.277 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -26.859 1.859 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -26.963 1.592 -6.304 1.00 0.00 H new ATOM 0 HG LEU A 93 -27.053 -0.519 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -29.245 -1.031 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -29.168 0.668 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -28.979 0.260 -6.338 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -27.175 -2.190 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -26.908 -0.901 -7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -25.625 -1.316 -5.966 1.00 0.00 H new ATOM 897 N ASN A 94 -24.254 3.152 -4.728 1.00 0.00 N ATOM 898 CA ASN A 94 -23.618 4.481 -4.952 1.00 0.00 C ATOM 899 C ASN A 94 -22.154 4.287 -5.350 1.00 0.00 C ATOM 900 O ASN A 94 -21.419 3.557 -4.715 1.00 0.00 O ATOM 901 CB ASN A 94 -23.693 5.307 -3.666 1.00 0.00 C ATOM 902 CG ASN A 94 -23.227 6.736 -3.951 1.00 0.00 C ATOM 903 OD1 ASN A 94 -22.789 7.038 -5.043 1.00 0.00 O ATOM 904 ND2 ASN A 94 -23.303 7.634 -3.007 1.00 0.00 N ATOM 0 H ASN A 94 -24.532 2.960 -3.766 1.00 0.00 H new ATOM 0 HA ASN A 94 -24.144 5.004 -5.750 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -24.714 5.315 -3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -23.069 4.856 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -22.995 8.590 -3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -23.671 7.380 -2.090 1.00 0.00 H new ATOM 911 N GLY A 95 -21.723 4.937 -6.397 1.00 0.00 N ATOM 912 CA GLY A 95 -20.306 4.789 -6.833 1.00 0.00 C ATOM 913 C GLY A 95 -20.140 3.469 -7.591 1.00 0.00 C ATOM 914 O GLY A 95 -19.258 2.685 -7.305 1.00 0.00 O ATOM 0 H GLY A 95 -22.290 5.563 -6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -20.022 5.625 -7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.644 4.809 -5.967 1.00 0.00 H new ATOM 918 N THR A 96 -20.981 3.219 -8.557 1.00 0.00 N ATOM 919 CA THR A 96 -20.871 1.952 -9.331 1.00 0.00 C ATOM 920 C THR A 96 -20.853 2.272 -10.828 1.00 0.00 C ATOM 921 O THR A 96 -21.209 3.356 -11.243 1.00 0.00 O ATOM 922 CB THR A 96 -22.069 1.054 -9.014 1.00 0.00 C ATOM 923 OG1 THR A 96 -23.247 1.626 -9.567 1.00 0.00 O ATOM 924 CG2 THR A 96 -22.225 0.926 -7.498 1.00 0.00 C ATOM 0 H THR A 96 -21.739 3.838 -8.843 1.00 0.00 H new ATOM 0 HA THR A 96 -19.950 1.436 -9.058 1.00 0.00 H new ATOM 0 HB THR A 96 -21.908 0.066 -9.445 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.764 2.061 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 96 -23.078 0.286 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 96 -21.321 0.488 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 96 -22.387 1.913 -7.064 1.00 0.00 H new ATOM 932 N GLN A 97 -20.441 1.337 -11.640 1.00 0.00 N ATOM 933 CA GLN A 97 -20.401 1.592 -13.107 1.00 0.00 C ATOM 934 C GLN A 97 -20.854 0.338 -13.856 1.00 0.00 C ATOM 935 O GLN A 97 -20.877 -0.748 -13.313 1.00 0.00 O ATOM 936 CB GLN A 97 -18.972 1.947 -13.524 1.00 0.00 C ATOM 937 CG GLN A 97 -18.968 2.410 -14.982 1.00 0.00 C ATOM 938 CD GLN A 97 -17.564 2.885 -15.363 1.00 0.00 C ATOM 939 OE1 GLN A 97 -16.698 2.998 -14.518 1.00 0.00 O ATOM 940 NE2 GLN A 97 -17.299 3.169 -16.608 1.00 0.00 N ATOM 0 H GLN A 97 -20.131 0.409 -11.351 1.00 0.00 H new ATOM 0 HA GLN A 97 -21.067 2.420 -13.350 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -18.578 2.734 -12.880 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -18.321 1.081 -13.404 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -19.277 1.594 -15.635 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -19.687 3.218 -15.120 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -18.025 3.075 -17.318 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -16.366 3.485 -16.871 1.00 0.00 H new ATOM 949 N VAL A 98 -21.215 0.482 -15.101 1.00 0.00 N ATOM 950 CA VAL A 98 -21.669 -0.701 -15.890 1.00 0.00 C ATOM 951 C VAL A 98 -20.698 -0.933 -17.047 1.00 0.00 C ATOM 952 O VAL A 98 -19.585 -0.444 -17.043 1.00 0.00 O ATOM 953 CB VAL A 98 -23.075 -0.455 -16.461 1.00 0.00 C ATOM 954 CG1 VAL A 98 -23.962 -1.663 -16.160 1.00 0.00 C ATOM 955 CG2 VAL A 98 -23.694 0.799 -15.835 1.00 0.00 C ATOM 0 H VAL A 98 -21.216 1.367 -15.608 1.00 0.00 H new ATOM 0 HA VAL A 98 -21.696 -1.573 -15.237 1.00 0.00 H new ATOM 0 HB VAL A 98 -22.998 -0.310 -17.539 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -24.960 -1.491 -16.564 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -23.533 -2.553 -16.620 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -24.027 -1.807 -15.082 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -24.689 0.959 -16.250 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -23.768 0.668 -14.755 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -23.066 1.663 -16.054 1.00 0.00 H new ATOM 965 N GLU A 99 -21.110 -1.668 -18.042 1.00 0.00 N ATOM 966 CA GLU A 99 -20.210 -1.918 -19.199 1.00 0.00 C ATOM 967 C GLU A 99 -19.771 -0.575 -19.784 1.00 0.00 C ATOM 968 O GLU A 99 -18.711 -0.456 -20.366 1.00 0.00 O ATOM 969 CB GLU A 99 -20.958 -2.722 -20.265 1.00 0.00 C ATOM 970 CG GLU A 99 -21.307 -4.104 -19.708 1.00 0.00 C ATOM 971 CD GLU A 99 -22.006 -4.928 -20.790 1.00 0.00 C ATOM 972 OE1 GLU A 99 -22.348 -4.357 -21.813 1.00 0.00 O ATOM 973 OE2 GLU A 99 -22.186 -6.115 -20.579 1.00 0.00 O ATOM 0 H GLU A 99 -22.030 -2.105 -18.103 1.00 0.00 H new ATOM 0 HA GLU A 99 -19.336 -2.482 -18.873 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -21.866 -2.197 -20.561 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -20.342 -2.823 -21.159 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -20.402 -4.613 -19.376 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -21.955 -4.004 -18.837 1.00 0.00 H new ATOM 980 N SER A 100 -20.580 0.438 -19.628 1.00 0.00 N ATOM 981 CA SER A 100 -20.213 1.776 -20.169 1.00 0.00 C ATOM 982 C SER A 100 -21.215 2.820 -19.671 1.00 0.00 C ATOM 983 O SER A 100 -21.534 3.767 -20.364 1.00 0.00 O ATOM 984 CB SER A 100 -20.236 1.738 -21.698 1.00 0.00 C ATOM 985 OG SER A 100 -20.005 0.410 -22.144 1.00 0.00 O ATOM 0 H SER A 100 -21.479 0.396 -19.149 1.00 0.00 H new ATOM 0 HA SER A 100 -19.211 2.040 -19.829 1.00 0.00 H new ATOM 0 HB2 SER A 100 -21.198 2.094 -22.066 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.474 2.405 -22.100 1.00 0.00 H new ATOM 0 HG SER A 100 -19.117 0.116 -21.851 1.00 0.00 H new ATOM 991 N VAL A 101 -21.713 2.657 -18.477 1.00 0.00 N ATOM 992 CA VAL A 101 -22.692 3.641 -17.938 1.00 0.00 C ATOM 993 C VAL A 101 -22.414 3.876 -16.452 1.00 0.00 C ATOM 994 O VAL A 101 -21.690 3.132 -15.821 1.00 0.00 O ATOM 995 CB VAL A 101 -24.109 3.091 -18.112 1.00 0.00 C ATOM 996 CG1 VAL A 101 -25.094 3.959 -17.326 1.00 0.00 C ATOM 997 CG2 VAL A 101 -24.485 3.107 -19.595 1.00 0.00 C ATOM 0 H VAL A 101 -21.484 1.885 -17.851 1.00 0.00 H new ATOM 0 HA VAL A 101 -22.597 4.584 -18.477 1.00 0.00 H new ATOM 0 HB VAL A 101 -24.149 2.068 -17.739 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -26.104 3.567 -17.450 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -24.827 3.946 -16.269 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -25.054 4.983 -17.698 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -25.495 2.715 -19.719 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -24.444 4.130 -19.970 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -23.784 2.488 -20.155 1.00 0.00 H new ATOM 1007 N GLN A 102 -22.984 4.905 -15.886 1.00 0.00 N ATOM 1008 CA GLN A 102 -22.752 5.185 -14.440 1.00 0.00 C ATOM 1009 C GLN A 102 -24.089 5.474 -13.756 1.00 0.00 C ATOM 1010 O GLN A 102 -24.883 6.263 -14.229 1.00 0.00 O ATOM 1011 CB GLN A 102 -21.832 6.398 -14.296 1.00 0.00 C ATOM 1012 CG GLN A 102 -20.478 6.093 -14.941 1.00 0.00 C ATOM 1013 CD GLN A 102 -19.556 7.305 -14.792 1.00 0.00 C ATOM 1014 OE1 GLN A 102 -20.012 8.399 -14.523 1.00 0.00 O ATOM 1015 NE2 GLN A 102 -18.270 7.157 -14.955 1.00 0.00 N ATOM 0 H GLN A 102 -23.600 5.564 -16.362 1.00 0.00 H new ATOM 0 HA GLN A 102 -22.285 4.318 -13.973 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -22.284 7.269 -14.770 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -21.698 6.643 -13.242 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -20.027 5.220 -14.469 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -20.612 5.852 -15.996 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -17.887 6.239 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -17.648 7.959 -14.857 1.00 0.00 H new ATOM 1024 N LEU A 103 -24.347 4.839 -12.644 1.00 0.00 N ATOM 1025 CA LEU A 103 -25.633 5.076 -11.930 1.00 0.00 C ATOM 1026 C LEU A 103 -25.400 6.030 -10.757 1.00 0.00 C ATOM 1027 O LEU A 103 -24.296 6.175 -10.271 1.00 0.00 O ATOM 1028 CB LEU A 103 -26.176 3.746 -11.402 1.00 0.00 C ATOM 1029 CG LEU A 103 -27.683 3.867 -11.165 1.00 0.00 C ATOM 1030 CD1 LEU A 103 -28.392 2.650 -11.763 1.00 0.00 C ATOM 1031 CD2 LEU A 103 -27.959 3.932 -9.662 1.00 0.00 C ATOM 0 H LEU A 103 -23.722 4.166 -12.200 1.00 0.00 H new ATOM 0 HA LEU A 103 -26.353 5.517 -12.619 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -25.973 2.949 -12.117 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -25.672 3.478 -10.474 1.00 0.00 H new ATOM 0 HG LEU A 103 -28.055 4.774 -11.641 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -29.466 2.735 -11.595 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -28.195 2.604 -12.834 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -28.021 1.742 -11.287 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -29.032 4.018 -9.493 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -27.588 3.025 -9.184 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -27.454 4.799 -9.236 1.00 0.00 H new ATOM 1043 N LYS A 104 -26.433 6.683 -10.296 1.00 0.00 N ATOM 1044 CA LYS A 104 -26.270 7.626 -9.154 1.00 0.00 C ATOM 1045 C LYS A 104 -27.438 7.453 -8.179 1.00 0.00 C ATOM 1046 O LYS A 104 -28.590 7.541 -8.555 1.00 0.00 O ATOM 1047 CB LYS A 104 -26.251 9.063 -9.676 1.00 0.00 C ATOM 1048 CG LYS A 104 -24.999 9.279 -10.527 1.00 0.00 C ATOM 1049 CD LYS A 104 -24.984 10.715 -11.057 1.00 0.00 C ATOM 1050 CE LYS A 104 -23.866 10.866 -12.089 1.00 0.00 C ATOM 1051 NZ LYS A 104 -22.550 10.914 -11.391 1.00 0.00 N ATOM 0 H LYS A 104 -27.382 6.604 -10.661 1.00 0.00 H new ATOM 0 HA LYS A 104 -25.332 7.414 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.145 9.258 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -26.262 9.765 -8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -24.105 9.090 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -24.985 8.573 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -25.946 10.957 -11.509 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -24.832 11.415 -10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -23.888 10.031 -12.790 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -24.014 11.775 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -21.793 11.068 -12.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -22.550 11.693 -10.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -22.387 10.014 -10.895 1.00 0.00 H new ATOM 1065 N VAL A 105 -27.149 7.207 -6.931 1.00 0.00 N ATOM 1066 CA VAL A 105 -28.242 7.029 -5.936 1.00 0.00 C ATOM 1067 C VAL A 105 -28.326 8.269 -5.044 1.00 0.00 C ATOM 1068 O VAL A 105 -27.324 8.817 -4.631 1.00 0.00 O ATOM 1069 CB VAL A 105 -27.950 5.799 -5.075 1.00 0.00 C ATOM 1070 CG1 VAL A 105 -29.125 5.551 -4.126 1.00 0.00 C ATOM 1071 CG2 VAL A 105 -27.757 4.579 -5.978 1.00 0.00 C ATOM 0 H VAL A 105 -26.204 7.122 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 105 -29.190 6.892 -6.456 1.00 0.00 H new ATOM 0 HB VAL A 105 -27.043 5.968 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -28.918 4.675 -3.512 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -29.263 6.420 -3.483 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -30.032 5.381 -4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -27.549 3.702 -5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -28.664 4.409 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -26.921 4.756 -6.654 1.00 0.00 H new ATOM 1081 N ASN A 106 -29.515 8.715 -4.743 1.00 0.00 N ATOM 1082 CA ASN A 106 -29.663 9.919 -3.879 1.00 0.00 C ATOM 1083 C ASN A 106 -30.885 9.749 -2.974 1.00 0.00 C ATOM 1084 O ASN A 106 -31.634 8.801 -3.100 1.00 0.00 O ATOM 1085 CB ASN A 106 -29.846 11.159 -4.755 1.00 0.00 C ATOM 1086 CG ASN A 106 -28.570 11.406 -5.564 1.00 0.00 C ATOM 1087 OD1 ASN A 106 -27.482 11.114 -5.109 1.00 0.00 O ATOM 1088 ND2 ASN A 106 -28.659 11.936 -6.753 1.00 0.00 N ATOM 0 H ASN A 106 -30.390 8.297 -5.059 1.00 0.00 H new ATOM 0 HA ASN A 106 -28.769 10.038 -3.266 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -30.694 11.021 -5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -30.069 12.026 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -27.815 12.105 -7.300 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -29.572 12.181 -7.135 1.00 0.00 H new ATOM 1095 N ILE A 107 -31.094 10.661 -2.066 1.00 0.00 N ATOM 1096 CA ILE A 107 -32.269 10.550 -1.156 1.00 0.00 C ATOM 1097 C ILE A 107 -33.304 11.614 -1.528 1.00 0.00 C ATOM 1098 O ILE A 107 -32.992 12.782 -1.649 1.00 0.00 O ATOM 1099 CB ILE A 107 -31.815 10.762 0.290 1.00 0.00 C ATOM 1100 CG1 ILE A 107 -30.656 9.814 0.607 1.00 0.00 C ATOM 1101 CG2 ILE A 107 -32.982 10.474 1.238 1.00 0.00 C ATOM 1102 CD1 ILE A 107 -31.017 8.399 0.156 1.00 0.00 C ATOM 0 H ILE A 107 -30.503 11.478 -1.914 1.00 0.00 H new ATOM 0 HA ILE A 107 -32.714 9.560 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 107 -31.486 11.793 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -29.750 10.148 0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -30.446 9.824 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -32.660 10.625 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -33.808 11.149 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -33.311 9.443 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -30.192 7.724 0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -31.912 8.067 0.682 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -31.205 8.396 -0.918 1.00 0.00 H new ATOM 1114 N ALA A 108 -34.535 11.220 -1.709 1.00 0.00 N ATOM 1115 CA ALA A 108 -35.588 12.209 -2.073 1.00 0.00 C ATOM 1116 C ALA A 108 -35.613 13.331 -1.034 1.00 0.00 C ATOM 1117 O ALA A 108 -35.912 14.468 -1.341 1.00 0.00 O ATOM 1118 CB ALA A 108 -36.951 11.516 -2.108 1.00 0.00 C ATOM 0 H ALA A 108 -34.857 10.256 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 108 -35.369 12.627 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -37.721 12.240 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -36.934 10.716 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -37.171 11.097 -1.126 1.00 0.00 H new