USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 846 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 66 MET CE :methyl -131:sc= -0.36 (180deg=-2.23!) USER MOD Set 1.2: A 90 MET CE :methyl -177:sc= -0.536 (180deg=-0.59) USER MOD Single : A 2 SER OG : rot 24:sc= 0.462 USER MOD Single : A 4 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0696) USER MOD Single : A 5 SER OG : rot -88:sc= 1.21 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 156:sc= -0.124 (180deg=-0.826) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0553 K(o=-0.055,f=-1.2!) USER MOD Single : A 28 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-0.86) USER MOD Single : A 30 TYR OH : rot -130:sc= -1.27 USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= -0.21 (180deg=-2.34!) USER MOD Single : A 35 THR OG1 : rot 106:sc= -0.42 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -144:sc= 0.234 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.25 F(o=-2,f=-0.25) USER MOD Single : A 46 MET CE :methyl -145:sc= 0 (180deg=-0.252) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.237 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 71 MET CE :methyl 132:sc= -3.57! (180deg=-8.03!) USER MOD Single : A 76 THR OG1 : rot -36:sc= 0.765 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.75) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 1.020 -1.842 -1.875 1.00 0.00 N ATOM 19 CA SER A 2 0.604 -3.178 -2.287 1.00 0.00 C ATOM 20 C SER A 2 -0.877 -3.400 -1.995 1.00 0.00 C ATOM 21 O SER A 2 -1.319 -3.295 -0.850 1.00 0.00 O ATOM 22 CB SER A 2 1.442 -4.239 -1.571 1.00 0.00 C ATOM 23 OG SER A 2 2.781 -3.807 -1.408 1.00 0.00 O ATOM 0 HA SER A 2 0.761 -3.266 -3.362 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.005 -4.455 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.423 -5.168 -2.141 1.00 0.00 H new ATOM 0 HG SER A 2 2.813 -2.828 -1.421 1.00 0.00 H new ATOM 29 N LEU A 3 -1.639 -3.708 -3.039 1.00 0.00 N ATOM 30 CA LEU A 3 -3.071 -3.946 -2.896 1.00 0.00 C ATOM 31 C LEU A 3 -3.415 -5.400 -3.205 1.00 0.00 C ATOM 32 O LEU A 3 -2.847 -6.004 -4.116 1.00 0.00 O ATOM 33 CB LEU A 3 -3.857 -3.016 -3.822 1.00 0.00 C ATOM 34 CG LEU A 3 -4.065 -1.587 -3.320 1.00 0.00 C ATOM 35 CD1 LEU A 3 -4.113 -0.613 -4.486 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.338 -1.493 -2.491 1.00 0.00 C ATOM 0 H LEU A 3 -1.289 -3.799 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.348 -3.738 -1.862 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.342 -2.971 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.835 -3.461 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.221 -1.319 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.262 0.399 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.175 -0.660 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.937 -0.878 -5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.470 -0.469 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.193 -1.781 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.264 -2.162 -1.634 1.00 0.00 H new ATOM 48 N LYS A 4 -4.351 -5.956 -2.443 1.00 0.00 N ATOM 49 CA LYS A 4 -4.774 -7.338 -2.636 1.00 0.00 C ATOM 50 C LYS A 4 -5.380 -7.532 -4.023 1.00 0.00 C ATOM 51 O LYS A 4 -5.175 -8.565 -4.660 1.00 0.00 O ATOM 52 CB LYS A 4 -5.791 -7.736 -1.564 1.00 0.00 C ATOM 53 CG LYS A 4 -5.248 -8.729 -0.551 1.00 0.00 C ATOM 54 CD LYS A 4 -5.329 -8.183 0.865 1.00 0.00 C ATOM 55 CE LYS A 4 -4.454 -8.979 1.820 1.00 0.00 C ATOM 56 NZ LYS A 4 -4.768 -10.434 1.778 1.00 0.00 N ATOM 0 H LYS A 4 -4.831 -5.470 -1.686 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.895 -7.977 -2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.124 -6.840 -1.040 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.668 -8.166 -2.048 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.811 -9.660 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.212 -8.966 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.019 -7.138 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -6.363 -8.211 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.405 -8.826 1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.592 -8.607 2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -4.303 -10.913 2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.797 -10.569 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.423 -10.838 0.884 1.00 0.00 H new ATOM 70 N SER A 5 -6.124 -6.532 -4.484 1.00 0.00 N ATOM 71 CA SER A 5 -6.761 -6.595 -5.794 1.00 0.00 C ATOM 72 C SER A 5 -5.736 -6.899 -6.883 1.00 0.00 C ATOM 73 O SER A 5 -6.075 -7.438 -7.937 1.00 0.00 O ATOM 74 CB SER A 5 -7.473 -5.276 -6.102 1.00 0.00 C ATOM 75 OG SER A 5 -6.616 -4.170 -5.877 1.00 0.00 O ATOM 0 H SER A 5 -6.300 -5.669 -3.970 1.00 0.00 H new ATOM 0 HA SER A 5 -7.495 -7.401 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.810 -5.274 -7.139 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.362 -5.184 -5.478 1.00 0.00 H new ATOM 0 HG SER A 5 -6.683 -3.889 -4.940 1.00 0.00 H new ATOM 81 N ASP A 6 -4.482 -6.550 -6.619 1.00 0.00 N ATOM 82 CA ASP A 6 -3.406 -6.786 -7.575 1.00 0.00 C ATOM 83 C ASP A 6 -3.355 -8.254 -7.984 1.00 0.00 C ATOM 84 O ASP A 6 -3.114 -8.576 -9.147 1.00 0.00 O ATOM 85 CB ASP A 6 -2.063 -6.364 -6.977 1.00 0.00 C ATOM 86 CG ASP A 6 -1.090 -5.869 -8.030 1.00 0.00 C ATOM 87 OD1 ASP A 6 -1.383 -4.838 -8.670 1.00 0.00 O ATOM 88 OD2 ASP A 6 -0.037 -6.514 -8.215 1.00 0.00 O ATOM 0 H ASP A 6 -4.185 -6.103 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.604 -6.187 -8.463 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.228 -5.578 -6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.622 -7.209 -6.448 1.00 0.00 H new ATOM 93 N GLU A 7 -3.583 -9.141 -7.020 1.00 0.00 N ATOM 94 CA GLU A 7 -3.561 -10.575 -7.281 1.00 0.00 C ATOM 95 C GLU A 7 -4.657 -10.965 -8.269 1.00 0.00 C ATOM 96 O GLU A 7 -4.402 -11.652 -9.258 1.00 0.00 O ATOM 97 CB GLU A 7 -3.733 -11.356 -5.977 1.00 0.00 C ATOM 98 CG GLU A 7 -2.461 -12.042 -5.506 1.00 0.00 C ATOM 99 CD GLU A 7 -2.664 -13.518 -5.223 1.00 0.00 C ATOM 100 OE1 GLU A 7 -2.651 -14.312 -6.187 1.00 0.00 O ATOM 101 OE2 GLU A 7 -2.837 -13.878 -4.041 1.00 0.00 O ATOM 0 H GLU A 7 -3.785 -8.891 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.595 -10.824 -7.720 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.078 -10.676 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.512 -12.107 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.687 -11.925 -6.265 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.100 -11.549 -4.603 1.00 0.00 H new ATOM 108 N VAL A 8 -5.879 -10.522 -7.993 1.00 0.00 N ATOM 109 CA VAL A 8 -7.015 -10.823 -8.856 1.00 0.00 C ATOM 110 C VAL A 8 -6.778 -10.315 -10.273 1.00 0.00 C ATOM 111 O VAL A 8 -6.967 -11.046 -11.246 1.00 0.00 O ATOM 112 CB VAL A 8 -8.315 -10.202 -8.310 1.00 0.00 C ATOM 113 CG1 VAL A 8 -9.491 -10.550 -9.209 1.00 0.00 C ATOM 114 CG2 VAL A 8 -8.568 -10.665 -6.884 1.00 0.00 C ATOM 0 H VAL A 8 -6.108 -9.953 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.120 -11.908 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.204 -9.118 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.401 -10.103 -8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.309 -10.164 -10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.608 -11.633 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.490 -10.217 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.659 -11.751 -6.865 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.736 -10.360 -6.249 1.00 0.00 H new ATOM 124 N PHE A 9 -6.362 -9.058 -10.384 1.00 0.00 N ATOM 125 CA PHE A 9 -6.099 -8.451 -11.683 1.00 0.00 C ATOM 126 C PHE A 9 -4.986 -9.194 -12.416 1.00 0.00 C ATOM 127 O PHE A 9 -5.005 -9.311 -13.641 1.00 0.00 O ATOM 128 CB PHE A 9 -5.719 -6.978 -11.515 1.00 0.00 C ATOM 129 CG PHE A 9 -6.904 -6.061 -11.409 1.00 0.00 C ATOM 130 CD1 PHE A 9 -7.931 -6.125 -12.337 1.00 0.00 C ATOM 131 CD2 PHE A 9 -6.991 -5.135 -10.383 1.00 0.00 C ATOM 132 CE1 PHE A 9 -9.022 -5.282 -12.243 1.00 0.00 C ATOM 133 CE2 PHE A 9 -8.079 -4.289 -10.283 1.00 0.00 C ATOM 134 CZ PHE A 9 -9.097 -4.364 -11.214 1.00 0.00 C ATOM 0 H PHE A 9 -6.200 -8.440 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.010 -8.519 -12.278 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.105 -6.869 -10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.106 -6.670 -12.362 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.878 -6.842 -13.143 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -6.199 -5.073 -9.652 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.815 -5.341 -12.974 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -8.133 -3.570 -9.479 1.00 0.00 H new ATOM 0 HZ PHE A 9 -9.950 -3.706 -11.137 1.00 0.00 H new ATOM 144 N ALA A 10 -4.018 -9.695 -11.656 1.00 0.00 N ATOM 145 CA ALA A 10 -2.897 -10.428 -12.231 1.00 0.00 C ATOM 146 C ALA A 10 -3.360 -11.747 -12.841 1.00 0.00 C ATOM 147 O ALA A 10 -2.960 -12.105 -13.949 1.00 0.00 O ATOM 148 CB ALA A 10 -1.831 -10.678 -11.174 1.00 0.00 C ATOM 0 H ALA A 10 -3.988 -9.607 -10.640 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.467 -9.820 -13.027 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.000 -11.226 -11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.471 -9.724 -10.787 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.257 -11.263 -10.359 1.00 0.00 H new ATOM 154 N LYS A 11 -4.204 -12.467 -12.110 1.00 0.00 N ATOM 155 CA LYS A 11 -4.722 -13.747 -12.579 1.00 0.00 C ATOM 156 C LYS A 11 -5.626 -13.557 -13.793 1.00 0.00 C ATOM 157 O LYS A 11 -5.585 -14.345 -14.738 1.00 0.00 O ATOM 158 CB LYS A 11 -5.495 -14.448 -11.459 1.00 0.00 C ATOM 159 CG LYS A 11 -4.783 -14.419 -10.118 1.00 0.00 C ATOM 160 CD LYS A 11 -4.816 -15.778 -9.440 1.00 0.00 C ATOM 161 CE LYS A 11 -3.426 -16.390 -9.350 1.00 0.00 C ATOM 162 NZ LYS A 11 -3.152 -17.314 -10.486 1.00 0.00 N ATOM 0 H LYS A 11 -4.544 -12.186 -11.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.875 -14.368 -12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.472 -13.976 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.672 -15.485 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.748 -14.108 -10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.252 -13.677 -9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.235 -15.676 -8.439 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.474 -16.447 -9.995 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.680 -15.596 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.328 -16.932 -8.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.195 -17.710 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.849 -18.086 -10.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.220 -16.792 -11.383 1.00 0.00 H new ATOM 176 N ILE A 12 -6.440 -12.507 -13.760 1.00 0.00 N ATOM 177 CA ILE A 12 -7.351 -12.213 -14.859 1.00 0.00 C ATOM 178 C ILE A 12 -6.585 -11.936 -16.149 1.00 0.00 C ATOM 179 O ILE A 12 -6.870 -12.526 -17.191 1.00 0.00 O ATOM 180 CB ILE A 12 -8.248 -11.003 -14.539 1.00 0.00 C ATOM 181 CG1 ILE A 12 -9.097 -11.285 -13.298 1.00 0.00 C ATOM 182 CG2 ILE A 12 -9.134 -10.670 -15.730 1.00 0.00 C ATOM 183 CD1 ILE A 12 -9.485 -10.038 -12.534 1.00 0.00 C ATOM 0 H ILE A 12 -6.487 -11.846 -12.984 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.978 -13.094 -14.993 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.612 -10.142 -14.333 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -10.002 -11.813 -13.599 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.546 -11.951 -12.634 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.762 -9.813 -15.488 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -8.511 -10.431 -16.592 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.765 -11.527 -15.965 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.085 -10.314 -11.667 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -8.585 -9.520 -12.202 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.064 -9.380 -13.182 1.00 0.00 H new ATOM 195 N ALA A 13 -5.610 -11.036 -16.070 1.00 0.00 N ATOM 196 CA ALA A 13 -4.801 -10.684 -17.230 1.00 0.00 C ATOM 197 C ALA A 13 -4.286 -11.932 -17.940 1.00 0.00 C ATOM 198 O ALA A 13 -4.428 -12.071 -19.155 1.00 0.00 O ATOM 199 CB ALA A 13 -3.639 -9.795 -16.812 1.00 0.00 C ATOM 0 H ALA A 13 -5.362 -10.538 -15.215 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.432 -10.135 -17.929 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.043 -9.540 -17.688 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.024 -8.883 -16.357 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.016 -10.325 -16.091 1.00 0.00 H new ATOM 205 N LYS A 14 -3.687 -12.837 -17.174 1.00 0.00 N ATOM 206 CA LYS A 14 -3.151 -14.075 -17.729 1.00 0.00 C ATOM 207 C LYS A 14 -4.224 -14.834 -18.503 1.00 0.00 C ATOM 208 O LYS A 14 -3.933 -15.495 -19.500 1.00 0.00 O ATOM 209 CB LYS A 14 -2.592 -14.958 -16.611 1.00 0.00 C ATOM 210 CG LYS A 14 -1.539 -15.945 -17.086 1.00 0.00 C ATOM 211 CD LYS A 14 -0.514 -16.232 -16.001 1.00 0.00 C ATOM 212 CE LYS A 14 0.633 -15.234 -16.041 1.00 0.00 C ATOM 213 NZ LYS A 14 0.354 -14.033 -15.206 1.00 0.00 N ATOM 0 H LYS A 14 -3.560 -12.737 -16.167 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.346 -13.817 -18.417 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.160 -14.322 -15.838 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.412 -15.508 -16.149 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.021 -16.875 -17.388 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.036 -15.546 -17.967 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.996 -16.195 -15.024 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.124 -17.242 -16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.546 -15.716 -15.690 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.811 -14.926 -17.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.252 -13.590 -14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.211 -13.353 -15.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.174 -14.316 -14.356 1.00 0.00 H new ATOM 227 N ARG A 15 -5.465 -14.734 -18.037 1.00 0.00 N ATOM 228 CA ARG A 15 -6.581 -15.411 -18.686 1.00 0.00 C ATOM 229 C ARG A 15 -7.008 -14.668 -19.949 1.00 0.00 C ATOM 230 O ARG A 15 -7.459 -15.278 -20.919 1.00 0.00 O ATOM 231 CB ARG A 15 -7.765 -15.526 -17.724 1.00 0.00 C ATOM 232 CG ARG A 15 -8.444 -16.885 -17.753 1.00 0.00 C ATOM 233 CD ARG A 15 -7.579 -17.953 -17.100 1.00 0.00 C ATOM 234 NE ARG A 15 -7.374 -17.696 -15.677 1.00 0.00 N ATOM 235 CZ ARG A 15 -6.511 -18.371 -14.926 1.00 0.00 C ATOM 236 NH1 ARG A 15 -5.776 -19.337 -15.460 1.00 0.00 N ATOM 237 NH2 ARG A 15 -6.381 -18.079 -13.638 1.00 0.00 N ATOM 0 H ARG A 15 -5.722 -14.191 -17.213 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.252 -16.411 -18.967 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.419 -15.324 -16.710 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.498 -14.758 -17.970 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.402 -16.825 -17.237 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.654 -17.166 -18.785 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -8.048 -18.928 -17.228 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.613 -17.995 -17.604 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.923 -16.958 -15.236 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.873 -19.563 -16.450 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.114 -19.854 -14.881 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.944 -17.336 -13.224 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.718 -18.598 -13.062 1.00 0.00 H new ATOM 251 N LEU A 16 -6.864 -13.348 -19.929 1.00 0.00 N ATOM 252 CA LEU A 16 -7.234 -12.520 -21.072 1.00 0.00 C ATOM 253 C LEU A 16 -6.337 -12.812 -22.270 1.00 0.00 C ATOM 254 O LEU A 16 -6.636 -12.411 -23.394 1.00 0.00 O ATOM 255 CB LEU A 16 -7.146 -11.038 -20.704 1.00 0.00 C ATOM 256 CG LEU A 16 -7.974 -10.596 -19.497 1.00 0.00 C ATOM 257 CD1 LEU A 16 -8.161 -9.087 -19.501 1.00 0.00 C ATOM 258 CD2 LEU A 16 -9.322 -11.302 -19.487 1.00 0.00 C ATOM 0 H LEU A 16 -6.494 -12.827 -19.134 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.262 -12.760 -21.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.101 -10.793 -20.512 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.457 -10.451 -21.568 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.435 -10.872 -18.591 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.753 -8.791 -18.635 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.187 -8.600 -19.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.678 -8.787 -20.413 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.898 -10.975 -18.621 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.867 -11.058 -20.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.168 -12.380 -19.434 1.00 0.00 H new ATOM 270 N GLU A 17 -5.236 -13.516 -22.021 1.00 0.00 N ATOM 271 CA GLU A 17 -4.296 -13.863 -23.080 1.00 0.00 C ATOM 272 C GLU A 17 -4.711 -15.157 -23.774 1.00 0.00 C ATOM 273 O GLU A 17 -4.185 -15.504 -24.831 1.00 0.00 O ATOM 274 CB GLU A 17 -2.883 -14.006 -22.512 1.00 0.00 C ATOM 275 CG GLU A 17 -2.237 -12.681 -22.144 1.00 0.00 C ATOM 276 CD GLU A 17 -0.726 -12.772 -22.060 1.00 0.00 C ATOM 277 OE1 GLU A 17 -0.223 -13.529 -21.205 1.00 0.00 O ATOM 278 OE2 GLU A 17 -0.047 -12.084 -22.851 1.00 0.00 O ATOM 0 H GLU A 17 -4.974 -13.856 -21.096 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.304 -13.058 -23.815 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.919 -14.641 -21.627 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.256 -14.515 -23.244 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.511 -11.929 -22.884 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.631 -12.343 -21.185 1.00 0.00 H new ATOM 285 N SER A 18 -5.658 -15.868 -23.170 1.00 0.00 N ATOM 286 CA SER A 18 -6.142 -17.126 -23.726 1.00 0.00 C ATOM 287 C SER A 18 -7.495 -16.936 -24.405 1.00 0.00 C ATOM 288 O SER A 18 -7.941 -17.789 -25.173 1.00 0.00 O ATOM 289 CB SER A 18 -6.254 -18.184 -22.626 1.00 0.00 C ATOM 290 OG SER A 18 -5.372 -19.266 -22.867 1.00 0.00 O ATOM 0 H SER A 18 -6.105 -15.594 -22.295 1.00 0.00 H new ATOM 0 HA SER A 18 -5.425 -17.464 -24.474 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.027 -17.734 -21.660 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.279 -18.551 -22.573 1.00 0.00 H new ATOM 0 HG SER A 18 -5.462 -19.927 -22.149 1.00 0.00 H new ATOM 296 N ILE A 19 -8.142 -15.812 -24.115 1.00 0.00 N ATOM 297 CA ILE A 19 -9.443 -15.509 -24.698 1.00 0.00 C ATOM 298 C ILE A 19 -9.363 -15.449 -26.220 1.00 0.00 C ATOM 299 O ILE A 19 -8.368 -14.992 -26.782 1.00 0.00 O ATOM 300 CB ILE A 19 -9.998 -14.173 -24.171 1.00 0.00 C ATOM 301 CG1 ILE A 19 -10.118 -14.211 -22.646 1.00 0.00 C ATOM 302 CG2 ILE A 19 -11.348 -13.873 -24.807 1.00 0.00 C ATOM 303 CD1 ILE A 19 -10.723 -12.957 -22.056 1.00 0.00 C ATOM 0 H ILE A 19 -7.787 -15.097 -23.480 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.116 -16.314 -24.404 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.305 -13.376 -24.442 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.727 -15.068 -22.359 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -9.128 -14.364 -22.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -11.728 -12.926 -24.425 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.234 -13.808 -25.889 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.050 -14.670 -24.563 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.777 -13.055 -20.972 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.103 -12.098 -22.312 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.726 -12.813 -22.458 1.00 0.00 H new ATOM 315 N ASP A 20 -10.419 -15.912 -26.881 1.00 0.00 N ATOM 316 CA ASP A 20 -10.470 -15.908 -28.338 1.00 0.00 C ATOM 317 C ASP A 20 -11.618 -15.038 -28.839 1.00 0.00 C ATOM 318 O ASP A 20 -12.612 -14.819 -28.146 1.00 0.00 O ATOM 319 CB ASP A 20 -10.626 -17.335 -28.868 1.00 0.00 C ATOM 320 CG ASP A 20 -9.451 -17.767 -29.722 1.00 0.00 C ATOM 321 OD1 ASP A 20 -8.299 -17.472 -29.339 1.00 0.00 O ATOM 322 OD2 ASP A 20 -9.682 -18.399 -30.774 1.00 0.00 O ATOM 0 H ASP A 20 -11.250 -16.295 -26.431 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.534 -15.491 -28.709 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.733 -18.022 -28.028 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -11.542 -17.404 -29.454 1.00 0.00 H new ATOM 327 N PRO A 21 -11.481 -14.528 -30.072 1.00 0.00 N ATOM 328 CA PRO A 21 -12.496 -13.673 -30.694 1.00 0.00 C ATOM 329 C PRO A 21 -13.764 -14.443 -31.047 1.00 0.00 C ATOM 330 O PRO A 21 -14.874 -13.935 -30.890 1.00 0.00 O ATOM 331 CB PRO A 21 -11.806 -13.168 -31.963 1.00 0.00 C ATOM 332 CG PRO A 21 -10.786 -14.206 -32.279 1.00 0.00 C ATOM 333 CD PRO A 21 -10.323 -14.748 -30.955 1.00 0.00 C ATOM 0 HA PRO A 21 -12.824 -12.877 -30.026 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.518 -13.051 -32.780 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.343 -12.195 -31.801 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.212 -14.996 -32.897 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.954 -13.778 -32.838 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.064 -15.805 -31.022 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.437 -14.225 -30.594 1.00 0.00 H new ATOM 341 N ALA A 22 -13.592 -15.671 -31.526 1.00 0.00 N ATOM 342 CA ALA A 22 -14.723 -16.511 -31.899 1.00 0.00 C ATOM 343 C ALA A 22 -15.652 -16.740 -30.712 1.00 0.00 C ATOM 344 O ALA A 22 -16.818 -17.093 -30.884 1.00 0.00 O ATOM 345 CB ALA A 22 -14.232 -17.841 -32.452 1.00 0.00 C ATOM 0 H ALA A 22 -12.680 -16.106 -31.665 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.288 -15.994 -32.674 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.087 -18.459 -32.727 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.615 -17.663 -33.333 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.642 -18.355 -31.693 1.00 0.00 H new ATOM 351 N ASN A 23 -15.128 -16.537 -29.508 1.00 0.00 N ATOM 352 CA ASN A 23 -15.911 -16.723 -28.292 1.00 0.00 C ATOM 353 C ASN A 23 -16.624 -15.431 -27.901 1.00 0.00 C ATOM 354 O ASN A 23 -16.493 -14.410 -28.575 1.00 0.00 O ATOM 355 CB ASN A 23 -15.010 -17.187 -27.146 1.00 0.00 C ATOM 356 CG ASN A 23 -15.339 -18.594 -26.686 1.00 0.00 C ATOM 357 OD1 ASN A 23 -15.901 -18.792 -25.608 1.00 0.00 O ATOM 358 ND2 ASN A 23 -14.989 -19.581 -27.503 1.00 0.00 N ATOM 0 H ASN A 23 -14.164 -16.244 -29.348 1.00 0.00 H new ATOM 0 HA ASN A 23 -16.663 -17.488 -28.487 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -13.969 -17.146 -27.467 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -15.112 -16.500 -26.306 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -15.184 -20.549 -27.247 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.525 -19.371 -28.387 1.00 0.00 H new ATOM 365 N ARG A 24 -17.378 -15.485 -26.808 1.00 0.00 N ATOM 366 CA ARG A 24 -18.112 -14.321 -26.328 1.00 0.00 C ATOM 367 C ARG A 24 -18.810 -13.605 -27.481 1.00 0.00 C ATOM 368 O ARG A 24 -18.948 -14.156 -28.573 1.00 0.00 O ATOM 369 CB ARG A 24 -17.167 -13.355 -25.611 1.00 0.00 C ATOM 370 CG ARG A 24 -16.347 -12.491 -26.556 1.00 0.00 C ATOM 371 CD ARG A 24 -14.898 -12.946 -26.611 1.00 0.00 C ATOM 372 NE ARG A 24 -13.998 -11.862 -26.995 1.00 0.00 N ATOM 373 CZ ARG A 24 -13.977 -11.319 -28.207 1.00 0.00 C ATOM 374 NH1 ARG A 24 -14.802 -11.758 -29.148 1.00 0.00 N ATOM 375 NH2 ARG A 24 -13.129 -10.336 -28.481 1.00 0.00 N ATOM 0 H ARG A 24 -17.496 -16.323 -26.238 1.00 0.00 H new ATOM 0 HA ARG A 24 -18.870 -14.666 -25.625 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -17.751 -12.709 -24.955 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.491 -13.926 -24.975 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -16.780 -12.531 -27.555 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -16.391 -11.452 -26.231 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.603 -13.334 -25.636 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -14.802 -13.766 -27.323 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.350 -11.502 -26.294 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.455 -12.514 -28.942 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.784 -11.339 -30.078 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.492 -9.996 -27.760 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.114 -9.920 -29.412 1.00 0.00 H new ATOM 389 N GLN A 25 -19.247 -12.375 -27.229 1.00 0.00 N ATOM 390 CA GLN A 25 -19.931 -11.585 -28.246 1.00 0.00 C ATOM 391 C GLN A 25 -19.484 -10.127 -28.194 1.00 0.00 C ATOM 392 O GLN A 25 -18.814 -9.640 -29.104 1.00 0.00 O ATOM 393 CB GLN A 25 -21.446 -11.674 -28.057 1.00 0.00 C ATOM 394 CG GLN A 25 -22.238 -11.006 -29.170 1.00 0.00 C ATOM 395 CD GLN A 25 -23.710 -11.365 -29.134 1.00 0.00 C ATOM 396 OE1 GLN A 25 -24.087 -12.446 -28.680 1.00 0.00 O ATOM 397 NE2 GLN A 25 -24.553 -10.458 -29.614 1.00 0.00 N ATOM 0 H GLN A 25 -19.140 -11.905 -26.330 1.00 0.00 H new ATOM 0 HA GLN A 25 -19.670 -11.991 -29.223 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -21.735 -12.723 -27.996 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -21.713 -11.214 -27.106 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -22.129 -9.924 -29.089 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -21.820 -11.297 -30.134 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -24.198 -9.575 -29.981 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -25.556 -10.644 -29.616 1.00 0.00 H new ATOM 406 N VAL A 26 -19.861 -9.436 -27.123 1.00 0.00 N ATOM 407 CA VAL A 26 -19.499 -8.034 -26.952 1.00 0.00 C ATOM 408 C VAL A 26 -18.202 -7.894 -26.163 1.00 0.00 C ATOM 409 O VAL A 26 -17.934 -8.672 -25.248 1.00 0.00 O ATOM 410 CB VAL A 26 -20.613 -7.251 -26.232 1.00 0.00 C ATOM 411 CG1 VAL A 26 -20.661 -7.623 -24.758 1.00 0.00 C ATOM 412 CG2 VAL A 26 -20.408 -5.753 -26.405 1.00 0.00 C ATOM 0 H VAL A 26 -20.417 -9.824 -26.361 1.00 0.00 H new ATOM 0 HA VAL A 26 -19.360 -7.618 -27.950 1.00 0.00 H new ATOM 0 HB VAL A 26 -21.569 -7.519 -26.681 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -21.454 -7.060 -24.266 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -20.859 -8.690 -24.658 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -19.705 -7.386 -24.292 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.204 -5.215 -25.890 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -19.445 -5.467 -25.983 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -20.428 -5.503 -27.466 1.00 0.00 H new ATOM 422 N GLU A 27 -17.401 -6.896 -26.523 1.00 0.00 N ATOM 423 CA GLU A 27 -16.131 -6.654 -25.848 1.00 0.00 C ATOM 424 C GLU A 27 -15.726 -5.187 -25.960 1.00 0.00 C ATOM 425 O GLU A 27 -15.559 -4.660 -27.060 1.00 0.00 O ATOM 426 CB GLU A 27 -15.036 -7.544 -26.440 1.00 0.00 C ATOM 427 CG GLU A 27 -14.763 -8.796 -25.625 1.00 0.00 C ATOM 428 CD GLU A 27 -13.769 -8.558 -24.505 1.00 0.00 C ATOM 429 OE1 GLU A 27 -14.184 -8.058 -23.439 1.00 0.00 O ATOM 430 OE2 GLU A 27 -12.575 -8.873 -24.694 1.00 0.00 O ATOM 0 H GLU A 27 -17.609 -6.242 -27.278 1.00 0.00 H new ATOM 0 HA GLU A 27 -16.257 -6.898 -24.793 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.322 -7.834 -27.451 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.115 -6.966 -26.523 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.699 -9.162 -25.203 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.383 -9.578 -26.283 1.00 0.00 H new ATOM 437 N HIS A 28 -15.570 -4.533 -24.813 1.00 0.00 N ATOM 438 CA HIS A 28 -15.185 -3.127 -24.782 1.00 0.00 C ATOM 439 C HIS A 28 -14.267 -2.842 -23.597 1.00 0.00 C ATOM 440 O HIS A 28 -14.071 -3.694 -22.731 1.00 0.00 O ATOM 441 CB HIS A 28 -16.426 -2.238 -24.705 1.00 0.00 C ATOM 442 CG HIS A 28 -16.895 -1.746 -26.040 1.00 0.00 C ATOM 443 ND1 HIS A 28 -16.035 -1.294 -27.019 1.00 0.00 N ATOM 444 CD2 HIS A 28 -18.141 -1.638 -26.556 1.00 0.00 C ATOM 445 CE1 HIS A 28 -16.733 -0.928 -28.080 1.00 0.00 C ATOM 446 NE2 HIS A 28 -18.014 -1.128 -27.825 1.00 0.00 N ATOM 0 H HIS A 28 -15.704 -4.954 -23.894 1.00 0.00 H new ATOM 0 HA HIS A 28 -14.644 -2.903 -25.701 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -17.233 -2.795 -24.229 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -16.210 -1.381 -24.067 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -19.064 -1.903 -26.062 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -16.326 -0.533 -28.999 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -18.783 -0.935 -28.466 1.00 0.00 H new ATOM 454 N VAL A 29 -13.705 -1.637 -23.566 1.00 0.00 N ATOM 455 CA VAL A 29 -12.807 -1.240 -22.489 1.00 0.00 C ATOM 456 C VAL A 29 -13.571 -1.031 -21.186 1.00 0.00 C ATOM 457 O VAL A 29 -14.706 -0.553 -21.189 1.00 0.00 O ATOM 458 CB VAL A 29 -12.048 0.054 -22.838 1.00 0.00 C ATOM 459 CG1 VAL A 29 -11.161 0.483 -21.680 1.00 0.00 C ATOM 460 CG2 VAL A 29 -11.229 -0.136 -24.106 1.00 0.00 C ATOM 0 H VAL A 29 -13.856 -0.919 -24.275 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.089 -2.050 -22.361 1.00 0.00 H new ATOM 0 HB VAL A 29 -12.776 0.845 -23.017 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.633 1.399 -21.946 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.776 0.661 -20.798 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.437 -0.303 -21.465 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.699 0.788 -24.339 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.508 -0.940 -23.957 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.892 -0.392 -24.932 1.00 0.00 H new ATOM 470 N TYR A 30 -12.942 -1.392 -20.073 1.00 0.00 N ATOM 471 CA TYR A 30 -13.563 -1.247 -18.762 1.00 0.00 C ATOM 472 C TYR A 30 -12.628 -0.531 -17.792 1.00 0.00 C ATOM 473 O TYR A 30 -11.409 -0.695 -17.852 1.00 0.00 O ATOM 474 CB TYR A 30 -13.947 -2.617 -18.201 1.00 0.00 C ATOM 475 CG TYR A 30 -15.300 -2.638 -17.526 1.00 0.00 C ATOM 476 CD1 TYR A 30 -16.465 -2.435 -18.255 1.00 0.00 C ATOM 477 CD2 TYR A 30 -15.413 -2.861 -16.160 1.00 0.00 C ATOM 478 CE1 TYR A 30 -17.703 -2.453 -17.643 1.00 0.00 C ATOM 479 CE2 TYR A 30 -16.647 -2.882 -15.539 1.00 0.00 C ATOM 480 CZ TYR A 30 -17.789 -2.677 -16.285 1.00 0.00 C ATOM 481 OH TYR A 30 -19.020 -2.696 -15.671 1.00 0.00 O ATOM 0 H TYR A 30 -12.002 -1.787 -20.053 1.00 0.00 H new ATOM 0 HA TYR A 30 -14.464 -0.645 -18.880 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -13.943 -3.346 -19.011 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -13.188 -2.933 -17.485 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -16.402 -2.260 -19.319 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -14.521 -3.021 -15.573 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -18.599 -2.293 -18.225 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -16.717 -3.058 -14.476 1.00 0.00 H new ATOM 0 HH TYR A 30 -19.002 -2.112 -14.884 1.00 0.00 H new ATOM 491 N LYS A 31 -13.207 0.262 -16.898 1.00 0.00 N ATOM 492 CA LYS A 31 -12.428 1.003 -15.913 1.00 0.00 C ATOM 493 C LYS A 31 -12.644 0.437 -14.513 1.00 0.00 C ATOM 494 O LYS A 31 -13.776 0.173 -14.106 1.00 0.00 O ATOM 495 CB LYS A 31 -12.809 2.484 -15.940 1.00 0.00 C ATOM 496 CG LYS A 31 -11.748 3.374 -16.564 1.00 0.00 C ATOM 497 CD LYS A 31 -11.588 4.675 -15.795 1.00 0.00 C ATOM 498 CE LYS A 31 -10.900 4.451 -14.457 1.00 0.00 C ATOM 499 NZ LYS A 31 -10.237 5.689 -13.960 1.00 0.00 N ATOM 0 H LYS A 31 -14.214 0.409 -16.835 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.373 0.901 -16.169 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.741 2.601 -16.494 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.000 2.820 -14.921 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.795 2.845 -16.587 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.017 3.592 -17.598 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.008 5.381 -16.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.567 5.125 -15.631 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.632 4.112 -13.724 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.159 3.658 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.205 5.574 -14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.524 6.497 -14.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.519 5.862 -12.974 1.00 0.00 H new ATOM 513 N PHE A 32 -11.551 0.254 -13.779 1.00 0.00 N ATOM 514 CA PHE A 32 -11.621 -0.280 -12.423 1.00 0.00 C ATOM 515 C PHE A 32 -11.033 0.707 -11.419 1.00 0.00 C ATOM 516 O PHE A 32 -9.910 1.184 -11.587 1.00 0.00 O ATOM 517 CB PHE A 32 -10.878 -1.615 -12.339 1.00 0.00 C ATOM 518 CG PHE A 32 -11.446 -2.674 -13.240 1.00 0.00 C ATOM 519 CD1 PHE A 32 -12.564 -3.399 -12.860 1.00 0.00 C ATOM 520 CD2 PHE A 32 -10.862 -2.944 -14.467 1.00 0.00 C ATOM 521 CE1 PHE A 32 -13.087 -4.375 -13.687 1.00 0.00 C ATOM 522 CE2 PHE A 32 -11.381 -3.919 -15.298 1.00 0.00 C ATOM 523 CZ PHE A 32 -12.496 -4.635 -14.908 1.00 0.00 C ATOM 0 H PHE A 32 -10.607 0.467 -14.100 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.670 -0.440 -12.176 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.830 -1.455 -12.594 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.904 -1.972 -11.310 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -13.032 -3.199 -11.907 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.991 -2.386 -14.778 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -13.958 -4.934 -13.379 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.915 -4.121 -16.251 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.905 -5.396 -15.556 1.00 0.00 H new ATOM 533 N ARG A 33 -11.799 1.008 -10.376 1.00 0.00 N ATOM 534 CA ARG A 33 -11.355 1.939 -9.345 1.00 0.00 C ATOM 535 C ARG A 33 -11.093 1.210 -8.031 1.00 0.00 C ATOM 536 O ARG A 33 -11.992 0.586 -7.466 1.00 0.00 O ATOM 537 CB ARG A 33 -12.400 3.035 -9.134 1.00 0.00 C ATOM 538 CG ARG A 33 -12.003 4.378 -9.724 1.00 0.00 C ATOM 539 CD ARG A 33 -12.600 5.533 -8.935 1.00 0.00 C ATOM 540 NE ARG A 33 -12.075 6.824 -9.371 1.00 0.00 N ATOM 541 CZ ARG A 33 -12.463 7.986 -8.859 1.00 0.00 C ATOM 542 NH1 ARG A 33 -13.375 8.019 -7.897 1.00 0.00 N ATOM 543 NH2 ARG A 33 -11.939 9.119 -9.309 1.00 0.00 N ATOM 0 H ARG A 33 -12.730 0.621 -10.222 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.423 2.395 -9.679 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.343 2.717 -9.579 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.577 3.155 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.917 4.466 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.336 4.434 -10.760 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.684 5.526 -9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.388 5.395 -7.875 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.372 6.834 -10.110 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.780 7.150 -7.548 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.671 8.913 -7.505 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.237 9.098 -10.049 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.238 10.011 -8.915 1.00 0.00 H new ATOM 557 N ILE A 34 -9.857 1.294 -7.550 1.00 0.00 N ATOM 558 CA ILE A 34 -9.478 0.643 -6.302 1.00 0.00 C ATOM 559 C ILE A 34 -9.423 1.645 -5.154 1.00 0.00 C ATOM 560 O ILE A 34 -8.588 2.551 -5.144 1.00 0.00 O ATOM 561 CB ILE A 34 -8.111 -0.056 -6.424 1.00 0.00 C ATOM 562 CG1 ILE A 34 -8.178 -1.177 -7.464 1.00 0.00 C ATOM 563 CG2 ILE A 34 -7.674 -0.604 -5.074 1.00 0.00 C ATOM 564 CD1 ILE A 34 -9.194 -2.248 -7.133 1.00 0.00 C ATOM 0 H ILE A 34 -9.102 1.806 -8.005 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.242 -0.105 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.373 0.676 -6.753 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.420 -0.746 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.194 -1.637 -7.555 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.706 -1.095 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.592 0.214 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.410 -1.324 -4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.187 -3.010 -7.913 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.942 -2.706 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.186 -1.801 -7.071 1.00 0.00 H new ATOM 576 N THR A 35 -10.317 1.476 -4.185 1.00 0.00 N ATOM 577 CA THR A 35 -10.371 2.365 -3.031 1.00 0.00 C ATOM 578 C THR A 35 -9.962 1.636 -1.756 1.00 0.00 C ATOM 579 O THR A 35 -10.226 0.444 -1.601 1.00 0.00 O ATOM 580 CB THR A 35 -11.781 2.956 -2.842 1.00 0.00 C ATOM 581 OG1 THR A 35 -12.663 1.958 -2.315 1.00 0.00 O ATOM 582 CG2 THR A 35 -12.329 3.480 -4.160 1.00 0.00 C ATOM 0 H THR A 35 -11.014 0.731 -4.176 1.00 0.00 H new ATOM 0 HA THR A 35 -9.669 3.176 -3.224 1.00 0.00 H new ATOM 0 HB THR A 35 -11.712 3.787 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.840 2.144 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.325 3.892 -4.001 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.671 4.259 -4.544 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.384 2.664 -4.881 1.00 0.00 H new ATOM 590 N GLN A 36 -9.319 2.360 -0.846 1.00 0.00 N ATOM 591 CA GLN A 36 -8.874 1.781 0.416 1.00 0.00 C ATOM 592 C GLN A 36 -9.891 2.041 1.522 1.00 0.00 C ATOM 593 O GLN A 36 -9.933 3.127 2.098 1.00 0.00 O ATOM 594 CB GLN A 36 -7.513 2.354 0.813 1.00 0.00 C ATOM 595 CG GLN A 36 -6.699 1.428 1.703 1.00 0.00 C ATOM 596 CD GLN A 36 -5.263 1.886 1.863 1.00 0.00 C ATOM 597 OE1 GLN A 36 -4.961 2.739 2.698 1.00 0.00 O ATOM 598 NE2 GLN A 36 -4.368 1.320 1.061 1.00 0.00 N ATOM 0 H GLN A 36 -9.094 3.349 -0.959 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.780 0.704 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.942 2.571 -0.090 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.664 3.302 1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.169 1.368 2.685 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.711 0.423 1.282 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.663 0.617 0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.386 1.588 1.123 1.00 0.00 H new ATOM 607 N GLY A 37 -10.710 1.035 1.815 1.00 0.00 N ATOM 608 CA GLY A 37 -11.716 1.176 2.852 1.00 0.00 C ATOM 609 C GLY A 37 -12.919 1.973 2.388 1.00 0.00 C ATOM 610 O GLY A 37 -14.040 1.736 2.836 1.00 0.00 O ATOM 0 H GLY A 37 -10.695 0.126 1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.042 0.187 3.175 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.273 1.665 3.720 1.00 0.00 H new ATOM 614 N GLY A 38 -12.686 2.923 1.487 1.00 0.00 N ATOM 615 CA GLY A 38 -13.769 3.745 0.979 1.00 0.00 C ATOM 616 C GLY A 38 -13.269 4.950 0.208 1.00 0.00 C ATOM 617 O GLY A 38 -14.056 5.685 -0.389 1.00 0.00 O ATOM 0 H GLY A 38 -11.767 3.138 1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -14.406 3.142 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.387 4.081 1.811 1.00 0.00 H new ATOM 621 N LYS A 39 -11.957 5.157 0.222 1.00 0.00 N ATOM 622 CA LYS A 39 -11.351 6.282 -0.480 1.00 0.00 C ATOM 623 C LYS A 39 -10.457 5.797 -1.616 1.00 0.00 C ATOM 624 O LYS A 39 -9.527 5.020 -1.399 1.00 0.00 O ATOM 625 CB LYS A 39 -10.539 7.140 0.493 1.00 0.00 C ATOM 626 CG LYS A 39 -9.851 6.336 1.583 1.00 0.00 C ATOM 627 CD LYS A 39 -8.552 6.991 2.023 1.00 0.00 C ATOM 628 CE LYS A 39 -7.749 6.077 2.936 1.00 0.00 C ATOM 629 NZ LYS A 39 -6.934 6.849 3.915 1.00 0.00 N ATOM 0 H LYS A 39 -11.292 4.559 0.713 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.152 6.886 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.787 7.696 -0.066 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.199 7.874 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.518 6.237 2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.647 5.329 1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.957 7.246 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.771 7.924 2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.427 5.412 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.094 5.447 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.401 6.191 4.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.270 7.465 3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.561 7.431 4.506 1.00 0.00 H new ATOM 643 N VAL A 40 -10.743 6.261 -2.829 1.00 0.00 N ATOM 644 CA VAL A 40 -9.962 5.876 -3.999 1.00 0.00 C ATOM 645 C VAL A 40 -8.469 6.045 -3.743 1.00 0.00 C ATOM 646 O VAL A 40 -8.034 7.051 -3.184 1.00 0.00 O ATOM 647 CB VAL A 40 -10.357 6.706 -5.234 1.00 0.00 C ATOM 648 CG1 VAL A 40 -9.877 8.142 -5.089 1.00 0.00 C ATOM 649 CG2 VAL A 40 -9.799 6.074 -6.501 1.00 0.00 C ATOM 0 H VAL A 40 -11.510 6.904 -3.027 1.00 0.00 H new ATOM 0 HA VAL A 40 -10.178 4.825 -4.192 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.444 6.718 -5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -10.166 8.713 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.329 8.589 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.792 8.154 -4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.088 6.674 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.712 6.030 -6.437 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.197 5.065 -6.610 1.00 0.00 H new ATOM 659 N VAL A 41 -7.688 5.052 -4.156 1.00 0.00 N ATOM 660 CA VAL A 41 -6.242 5.091 -3.974 1.00 0.00 C ATOM 661 C VAL A 41 -5.515 4.955 -5.307 1.00 0.00 C ATOM 662 O VAL A 41 -4.364 5.369 -5.445 1.00 0.00 O ATOM 663 CB VAL A 41 -5.766 3.974 -3.026 1.00 0.00 C ATOM 664 CG1 VAL A 41 -6.178 2.610 -3.558 1.00 0.00 C ATOM 665 CG2 VAL A 41 -4.258 4.046 -2.832 1.00 0.00 C ATOM 0 H VAL A 41 -8.032 4.211 -4.619 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.005 6.059 -3.532 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.242 4.118 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.833 1.834 -2.875 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.264 2.564 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.733 2.453 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.939 3.250 -2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.761 3.928 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.992 5.012 -2.402 1.00 0.00 H new ATOM 675 N LYS A 42 -6.196 4.371 -6.288 1.00 0.00 N ATOM 676 CA LYS A 42 -5.618 4.181 -7.613 1.00 0.00 C ATOM 677 C LYS A 42 -6.690 3.784 -8.623 1.00 0.00 C ATOM 678 O LYS A 42 -7.777 3.346 -8.248 1.00 0.00 O ATOM 679 CB LYS A 42 -4.524 3.111 -7.566 1.00 0.00 C ATOM 680 CG LYS A 42 -3.342 3.410 -8.472 1.00 0.00 C ATOM 681 CD LYS A 42 -2.358 2.252 -8.504 1.00 0.00 C ATOM 682 CE LYS A 42 -1.353 2.343 -7.367 1.00 0.00 C ATOM 683 NZ LYS A 42 0.051 2.274 -7.860 1.00 0.00 N ATOM 0 H LYS A 42 -7.149 4.021 -6.190 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.179 5.127 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.169 3.011 -6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.954 2.150 -7.849 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.699 3.614 -9.482 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.835 4.310 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.901 1.310 -8.436 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.830 2.248 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.502 3.277 -6.825 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.530 1.532 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.634 1.750 -7.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.073 1.787 -8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.428 3.237 -7.970 1.00 0.00 H new ATOM 697 N ASN A 43 -6.375 3.938 -9.905 1.00 0.00 N ATOM 698 CA ASN A 43 -7.312 3.594 -10.968 1.00 0.00 C ATOM 699 C ASN A 43 -6.646 2.704 -12.013 1.00 0.00 C ATOM 700 O ASN A 43 -5.536 2.985 -12.465 1.00 0.00 O ATOM 701 CB ASN A 43 -7.851 4.863 -11.632 1.00 0.00 C ATOM 702 CG ASN A 43 -7.999 6.010 -10.651 1.00 0.00 C ATOM 703 OD1 ASN A 43 -8.677 5.754 -9.539 1.00 0.00 O flip ATOM 704 ND2 ASN A 43 -7.509 7.114 -10.891 1.00 0.00 N flip ATOM 0 H ASN A 43 -5.479 4.298 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.141 3.044 -10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.180 5.162 -12.437 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.819 4.649 -12.086 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -6.995 7.266 -11.759 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.617 7.876 -10.222 1.00 0.00 H new ATOM 711 N TRP A 44 -7.331 1.632 -12.392 1.00 0.00 N ATOM 712 CA TRP A 44 -6.807 0.700 -13.384 1.00 0.00 C ATOM 713 C TRP A 44 -7.684 0.682 -14.631 1.00 0.00 C ATOM 714 O TRP A 44 -8.904 0.826 -14.545 1.00 0.00 O ATOM 715 CB TRP A 44 -6.710 -0.707 -12.792 1.00 0.00 C ATOM 716 CG TRP A 44 -5.460 -0.931 -11.995 1.00 0.00 C ATOM 717 CD1 TRP A 44 -5.270 -0.649 -10.673 1.00 0.00 C ATOM 718 CD2 TRP A 44 -4.227 -1.482 -12.472 1.00 0.00 C ATOM 719 NE1 TRP A 44 -3.993 -0.992 -10.298 1.00 0.00 N ATOM 720 CE2 TRP A 44 -3.334 -1.506 -11.383 1.00 0.00 C ATOM 721 CE3 TRP A 44 -3.792 -1.960 -13.711 1.00 0.00 C ATOM 722 CZ2 TRP A 44 -2.033 -1.987 -11.499 1.00 0.00 C ATOM 723 CZ3 TRP A 44 -2.500 -2.437 -13.824 1.00 0.00 C ATOM 724 CH2 TRP A 44 -1.633 -2.449 -12.724 1.00 0.00 C ATOM 0 H TRP A 44 -8.251 1.386 -12.027 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.810 1.035 -13.669 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.576 -0.886 -12.154 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -6.753 -1.437 -13.600 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.014 -0.220 -10.018 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -3.600 -0.882 -9.363 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.454 -1.957 -14.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.363 -1.995 -10.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.153 -2.807 -14.777 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.630 -2.830 -12.845 1.00 0.00 H new ATOM 735 N VAL A 45 -7.057 0.502 -15.789 1.00 0.00 N ATOM 736 CA VAL A 45 -7.781 0.463 -17.053 1.00 0.00 C ATOM 737 C VAL A 45 -7.496 -0.829 -17.810 1.00 0.00 C ATOM 738 O VAL A 45 -6.356 -1.288 -17.868 1.00 0.00 O ATOM 739 CB VAL A 45 -7.414 1.661 -17.948 1.00 0.00 C ATOM 740 CG1 VAL A 45 -7.983 1.478 -19.347 1.00 0.00 C ATOM 741 CG2 VAL A 45 -7.908 2.960 -17.328 1.00 0.00 C ATOM 0 H VAL A 45 -6.048 0.381 -15.877 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.843 0.512 -16.811 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.328 1.713 -18.028 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.713 2.335 -19.965 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.576 0.569 -19.789 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.069 1.399 -19.291 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.640 3.796 -17.974 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.992 2.921 -17.216 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.447 3.095 -16.350 1.00 0.00 H new ATOM 751 N MET A 46 -8.541 -1.412 -18.390 1.00 0.00 N ATOM 752 CA MET A 46 -8.402 -2.651 -19.146 1.00 0.00 C ATOM 753 C MET A 46 -8.275 -2.366 -20.639 1.00 0.00 C ATOM 754 O MET A 46 -9.201 -1.848 -21.263 1.00 0.00 O ATOM 755 CB MET A 46 -9.600 -3.567 -18.890 1.00 0.00 C ATOM 756 CG MET A 46 -9.562 -4.857 -19.693 1.00 0.00 C ATOM 757 SD MET A 46 -10.442 -6.206 -18.883 1.00 0.00 S ATOM 758 CE MET A 46 -12.123 -5.875 -19.404 1.00 0.00 C ATOM 0 H MET A 46 -9.492 -1.046 -18.351 1.00 0.00 H new ATOM 0 HA MET A 46 -7.493 -3.151 -18.811 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.640 -3.811 -17.828 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.517 -3.027 -19.128 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.999 -4.682 -20.676 1.00 0.00 H new ATOM 0 HG3 MET A 46 -8.524 -5.150 -19.854 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.812 -6.141 -18.602 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.230 -4.816 -19.638 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.353 -6.467 -20.290 1.00 0.00 H new ATOM 768 N ASP A 47 -7.123 -2.707 -21.206 1.00 0.00 N ATOM 769 CA ASP A 47 -6.875 -2.488 -22.626 1.00 0.00 C ATOM 770 C ASP A 47 -7.554 -3.564 -23.468 1.00 0.00 C ATOM 771 O ASP A 47 -7.272 -4.754 -23.319 1.00 0.00 O ATOM 772 CB ASP A 47 -5.372 -2.475 -22.908 1.00 0.00 C ATOM 773 CG ASP A 47 -4.955 -1.304 -23.776 1.00 0.00 C ATOM 774 OD1 ASP A 47 -5.399 -1.241 -24.941 1.00 0.00 O ATOM 775 OD2 ASP A 47 -4.186 -0.449 -23.289 1.00 0.00 O ATOM 0 H ASP A 47 -6.346 -3.136 -20.704 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.295 -1.520 -22.898 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.829 -2.435 -21.964 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.090 -3.406 -23.399 1.00 0.00 H new ATOM 780 N LEU A 48 -8.450 -3.139 -24.352 1.00 0.00 N ATOM 781 CA LEU A 48 -9.171 -4.066 -25.217 1.00 0.00 C ATOM 782 C LEU A 48 -8.423 -4.278 -26.530 1.00 0.00 C ATOM 783 O LEU A 48 -8.648 -5.264 -27.233 1.00 0.00 O ATOM 784 CB LEU A 48 -10.580 -3.542 -25.498 1.00 0.00 C ATOM 785 CG LEU A 48 -11.703 -4.579 -25.459 1.00 0.00 C ATOM 786 CD1 LEU A 48 -11.402 -5.728 -26.409 1.00 0.00 C ATOM 787 CD2 LEU A 48 -11.902 -5.095 -24.041 1.00 0.00 C ATOM 0 H LEU A 48 -8.695 -2.158 -24.489 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.243 -5.024 -24.702 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.807 -2.762 -24.771 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.581 -3.071 -26.481 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.627 -4.099 -25.783 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.212 -6.456 -26.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.310 -5.345 -27.425 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.468 -6.207 -26.116 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.705 -5.832 -24.031 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.980 -5.558 -23.690 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.164 -4.265 -23.385 1.00 0.00 H new ATOM 799 N LYS A 49 -7.532 -3.348 -26.854 1.00 0.00 N ATOM 800 CA LYS A 49 -6.747 -3.433 -28.080 1.00 0.00 C ATOM 801 C LYS A 49 -5.609 -4.437 -27.929 1.00 0.00 C ATOM 802 O LYS A 49 -5.329 -5.213 -28.842 1.00 0.00 O ATOM 803 CB LYS A 49 -6.184 -2.058 -28.446 1.00 0.00 C ATOM 804 CG LYS A 49 -5.939 -1.878 -29.934 1.00 0.00 C ATOM 805 CD LYS A 49 -7.063 -1.097 -30.594 1.00 0.00 C ATOM 806 CE LYS A 49 -7.090 -1.320 -32.098 1.00 0.00 C ATOM 807 NZ LYS A 49 -7.452 -0.079 -32.837 1.00 0.00 N ATOM 0 H LYS A 49 -7.335 -2.525 -26.284 1.00 0.00 H new ATOM 0 HA LYS A 49 -7.404 -3.774 -28.880 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.876 -1.289 -28.105 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -5.247 -1.904 -27.911 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.994 -1.357 -30.088 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.846 -2.855 -30.409 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.018 -1.398 -30.164 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.940 -0.034 -30.385 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.112 -1.669 -32.431 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.807 -2.106 -32.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.459 -0.273 -33.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.396 0.240 -32.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.754 0.664 -32.631 1.00 0.00 H new ATOM 821 N ASN A 50 -4.958 -4.417 -26.771 1.00 0.00 N ATOM 822 CA ASN A 50 -3.851 -5.327 -26.500 1.00 0.00 C ATOM 823 C ASN A 50 -4.293 -6.466 -25.586 1.00 0.00 C ATOM 824 O ASN A 50 -3.597 -7.471 -25.447 1.00 0.00 O ATOM 825 CB ASN A 50 -2.685 -4.569 -25.862 1.00 0.00 C ATOM 826 CG ASN A 50 -1.338 -5.140 -26.259 1.00 0.00 C ATOM 827 OD1 ASN A 50 -0.827 -4.859 -27.343 1.00 0.00 O ATOM 828 ND2 ASN A 50 -0.755 -5.947 -25.380 1.00 0.00 N ATOM 0 H ASN A 50 -5.178 -3.781 -26.005 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.524 -5.753 -27.448 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.733 -3.520 -26.156 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -2.785 -4.601 -24.777 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.153 -6.361 -25.592 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.215 -6.153 -24.493 1.00 0.00 H new ATOM 835 N VAL A 51 -5.457 -6.301 -24.965 1.00 0.00 N ATOM 836 CA VAL A 51 -5.994 -7.315 -24.066 1.00 0.00 C ATOM 837 C VAL A 51 -5.110 -7.481 -22.834 1.00 0.00 C ATOM 838 O VAL A 51 -4.935 -8.590 -22.327 1.00 0.00 O ATOM 839 CB VAL A 51 -6.131 -8.676 -24.773 1.00 0.00 C ATOM 840 CG1 VAL A 51 -7.045 -9.600 -23.982 1.00 0.00 C ATOM 841 CG2 VAL A 51 -6.648 -8.489 -26.192 1.00 0.00 C ATOM 0 H VAL A 51 -6.046 -5.475 -25.068 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.982 -6.973 -23.757 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.145 -9.138 -24.827 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.129 -10.557 -24.497 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.629 -9.759 -22.987 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.032 -9.147 -23.894 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.739 -9.461 -26.677 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.624 -8.005 -26.163 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.952 -7.867 -26.754 1.00 0.00 H new ATOM 851 N LYS A 52 -4.556 -6.372 -22.357 1.00 0.00 N ATOM 852 CA LYS A 52 -3.691 -6.393 -21.183 1.00 0.00 C ATOM 853 C LYS A 52 -4.149 -5.367 -20.152 1.00 0.00 C ATOM 854 O LYS A 52 -4.867 -4.421 -20.479 1.00 0.00 O ATOM 855 CB LYS A 52 -2.241 -6.114 -21.588 1.00 0.00 C ATOM 856 CG LYS A 52 -1.238 -6.388 -20.481 1.00 0.00 C ATOM 857 CD LYS A 52 0.049 -6.981 -21.030 1.00 0.00 C ATOM 858 CE LYS A 52 1.215 -6.016 -20.883 1.00 0.00 C ATOM 859 NZ LYS A 52 2.153 -6.438 -19.807 1.00 0.00 N ATOM 0 H LYS A 52 -4.690 -5.447 -22.765 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.752 -7.385 -20.734 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.990 -6.726 -22.454 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.153 -5.073 -21.897 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.016 -5.461 -19.952 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.675 -7.073 -19.754 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.276 -7.909 -20.506 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.085 -7.233 -22.082 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.753 -5.950 -21.829 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.835 -5.018 -20.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.934 -5.754 -19.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.646 -6.476 -18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.536 -7.379 -20.030 1.00 0.00 H new ATOM 873 N LEU A 53 -3.728 -5.559 -18.907 1.00 0.00 N ATOM 874 CA LEU A 53 -4.094 -4.648 -17.827 1.00 0.00 C ATOM 875 C LEU A 53 -2.959 -3.673 -17.529 1.00 0.00 C ATOM 876 O LEU A 53 -1.799 -4.070 -17.417 1.00 0.00 O ATOM 877 CB LEU A 53 -4.448 -5.438 -16.566 1.00 0.00 C ATOM 878 CG LEU A 53 -5.852 -6.042 -16.524 1.00 0.00 C ATOM 879 CD1 LEU A 53 -6.905 -4.954 -16.666 1.00 0.00 C ATOM 880 CD2 LEU A 53 -6.015 -7.090 -17.615 1.00 0.00 C ATOM 0 H LEU A 53 -3.133 -6.336 -18.620 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.965 -4.076 -18.146 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.724 -6.245 -16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.331 -4.780 -15.705 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.989 -6.528 -15.558 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.898 -5.402 -16.634 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.803 -4.240 -15.849 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.770 -4.439 -17.617 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.020 -7.509 -17.570 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.858 -6.628 -18.590 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.284 -7.885 -17.468 1.00 0.00 H new ATOM 892 N VAL A 54 -3.302 -2.396 -17.399 1.00 0.00 N ATOM 893 CA VAL A 54 -2.313 -1.364 -17.110 1.00 0.00 C ATOM 894 C VAL A 54 -2.919 -0.239 -16.279 1.00 0.00 C ATOM 895 O VAL A 54 -4.133 -0.184 -16.082 1.00 0.00 O ATOM 896 CB VAL A 54 -1.726 -0.772 -18.405 1.00 0.00 C ATOM 897 CG1 VAL A 54 -1.079 -1.862 -19.246 1.00 0.00 C ATOM 898 CG2 VAL A 54 -2.804 -0.046 -19.195 1.00 0.00 C ATOM 0 H VAL A 54 -4.258 -2.051 -17.489 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.514 -1.841 -16.542 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.956 -0.049 -18.137 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.670 -1.424 -20.157 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.277 -2.332 -18.677 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.826 -2.612 -19.507 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.372 0.366 -20.107 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.599 -0.746 -19.454 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.215 0.763 -18.591 1.00 0.00 H new ATOM 908 N GLU A 55 -2.066 0.657 -15.793 1.00 0.00 N ATOM 909 CA GLU A 55 -2.518 1.781 -14.983 1.00 0.00 C ATOM 910 C GLU A 55 -2.705 3.030 -15.840 1.00 0.00 C ATOM 911 O GLU A 55 -1.734 3.656 -16.263 1.00 0.00 O ATOM 912 CB GLU A 55 -1.517 2.065 -13.861 1.00 0.00 C ATOM 913 CG GLU A 55 -1.801 1.294 -12.583 1.00 0.00 C ATOM 914 CD GLU A 55 -0.539 0.770 -11.925 1.00 0.00 C ATOM 915 OE1 GLU A 55 0.231 0.059 -12.603 1.00 0.00 O ATOM 916 OE2 GLU A 55 -0.322 1.071 -10.733 1.00 0.00 O ATOM 0 H GLU A 55 -1.058 0.626 -15.946 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.480 1.515 -14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.514 1.818 -14.209 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.524 3.132 -13.641 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.330 1.941 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.463 0.458 -12.807 1.00 0.00 H new ATOM 923 N SER A 56 -3.961 3.384 -16.092 1.00 0.00 N ATOM 924 CA SER A 56 -4.277 4.555 -16.903 1.00 0.00 C ATOM 925 C SER A 56 -5.585 5.194 -16.447 1.00 0.00 C ATOM 926 O SER A 56 -6.315 4.628 -15.634 1.00 0.00 O ATOM 927 CB SER A 56 -4.372 4.168 -18.380 1.00 0.00 C ATOM 928 OG SER A 56 -4.691 5.292 -19.182 1.00 0.00 O ATOM 0 H SER A 56 -4.776 2.877 -15.747 1.00 0.00 H new ATOM 0 HA SER A 56 -3.475 5.282 -16.777 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.425 3.740 -18.709 1.00 0.00 H new ATOM 0 HB3 SER A 56 -5.132 3.398 -18.509 1.00 0.00 H new ATOM 0 HG SER A 56 -4.744 5.019 -20.122 1.00 0.00 H new ATOM 934 N ASP A 57 -5.875 6.377 -16.978 1.00 0.00 N ATOM 935 CA ASP A 57 -7.095 7.094 -16.628 1.00 0.00 C ATOM 936 C ASP A 57 -8.011 7.232 -17.840 1.00 0.00 C ATOM 937 O ASP A 57 -9.006 7.956 -17.800 1.00 0.00 O ATOM 938 CB ASP A 57 -6.757 8.477 -16.069 1.00 0.00 C ATOM 939 CG ASP A 57 -7.578 8.822 -14.843 1.00 0.00 C ATOM 940 OD1 ASP A 57 -7.188 8.408 -13.731 1.00 0.00 O ATOM 941 OD2 ASP A 57 -8.611 9.508 -14.994 1.00 0.00 O ATOM 0 H ASP A 57 -5.281 6.859 -17.653 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.618 6.519 -15.863 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.698 8.514 -15.815 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.927 9.229 -16.840 1.00 0.00 H new ATOM 946 N ASP A 58 -7.668 6.533 -18.917 1.00 0.00 N ATOM 947 CA ASP A 58 -8.459 6.577 -20.141 1.00 0.00 C ATOM 948 C ASP A 58 -9.929 6.293 -19.849 1.00 0.00 C ATOM 949 O ASP A 58 -10.266 5.720 -18.814 1.00 0.00 O ATOM 950 CB ASP A 58 -7.923 5.567 -21.157 1.00 0.00 C ATOM 951 CG ASP A 58 -8.547 5.738 -22.528 1.00 0.00 C ATOM 952 OD1 ASP A 58 -8.685 6.895 -22.977 1.00 0.00 O ATOM 953 OD2 ASP A 58 -8.896 4.714 -23.152 1.00 0.00 O ATOM 0 H ASP A 58 -6.847 5.929 -18.967 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.378 7.580 -20.560 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.841 5.676 -21.237 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.116 4.556 -20.797 1.00 0.00 H new ATOM 958 N ALA A 59 -10.799 6.698 -20.768 1.00 0.00 N ATOM 959 CA ALA A 59 -12.232 6.486 -20.610 1.00 0.00 C ATOM 960 C ALA A 59 -12.604 5.030 -20.871 1.00 0.00 C ATOM 961 O ALA A 59 -11.753 4.217 -21.230 1.00 0.00 O ATOM 962 CB ALA A 59 -13.008 7.406 -21.540 1.00 0.00 C ATOM 0 H ALA A 59 -10.536 7.175 -21.630 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.497 6.722 -19.579 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -14.077 7.236 -21.411 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.774 8.444 -21.303 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.730 7.198 -22.573 1.00 0.00 H new ATOM 968 N ALA A 60 -13.880 4.708 -20.688 1.00 0.00 N ATOM 969 CA ALA A 60 -14.364 3.351 -20.906 1.00 0.00 C ATOM 970 C ALA A 60 -15.885 3.321 -21.015 1.00 0.00 C ATOM 971 O ALA A 60 -16.568 4.230 -20.545 1.00 0.00 O ATOM 972 CB ALA A 60 -13.896 2.437 -19.783 1.00 0.00 C ATOM 0 H ALA A 60 -14.597 5.369 -20.389 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.951 2.992 -21.849 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.265 1.426 -19.959 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.806 2.426 -19.753 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -14.281 2.803 -18.831 1.00 0.00 H new ATOM 978 N GLU A 61 -16.409 2.271 -21.640 1.00 0.00 N ATOM 979 CA GLU A 61 -17.849 2.125 -21.811 1.00 0.00 C ATOM 980 C GLU A 61 -18.557 2.085 -20.460 1.00 0.00 C ATOM 981 O GLU A 61 -19.751 2.367 -20.364 1.00 0.00 O ATOM 982 CB GLU A 61 -18.165 0.854 -22.602 1.00 0.00 C ATOM 983 CG GLU A 61 -17.620 0.868 -24.020 1.00 0.00 C ATOM 984 CD GLU A 61 -17.752 2.226 -24.682 1.00 0.00 C ATOM 985 OE1 GLU A 61 -18.884 2.594 -25.060 1.00 0.00 O ATOM 986 OE2 GLU A 61 -16.724 2.920 -24.823 1.00 0.00 O ATOM 0 H GLU A 61 -15.858 1.510 -22.036 1.00 0.00 H new ATOM 0 HA GLU A 61 -18.212 2.990 -22.366 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.754 -0.005 -22.072 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -19.246 0.718 -22.639 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.570 0.576 -24.005 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.149 0.124 -24.616 1.00 0.00 H new ATOM 993 N ALA A 62 -17.811 1.733 -19.418 1.00 0.00 N ATOM 994 CA ALA A 62 -18.366 1.658 -18.072 1.00 0.00 C ATOM 995 C ALA A 62 -17.268 1.767 -17.019 1.00 0.00 C ATOM 996 O ALA A 62 -16.090 1.556 -17.311 1.00 0.00 O ATOM 997 CB ALA A 62 -19.144 0.363 -17.894 1.00 0.00 C ATOM 0 H ALA A 62 -16.821 1.495 -19.480 1.00 0.00 H new ATOM 0 HA ALA A 62 -19.046 2.499 -17.938 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -19.553 0.320 -16.885 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.959 0.326 -18.617 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -18.479 -0.486 -18.052 1.00 0.00 H new ATOM 1003 N THR A 63 -17.661 2.098 -15.793 1.00 0.00 N ATOM 1004 CA THR A 63 -16.710 2.237 -14.697 1.00 0.00 C ATOM 1005 C THR A 63 -17.131 1.399 -13.495 1.00 0.00 C ATOM 1006 O THR A 63 -18.291 1.429 -13.080 1.00 0.00 O ATOM 1007 CB THR A 63 -16.567 3.707 -14.260 1.00 0.00 C ATOM 1008 OG1 THR A 63 -16.253 4.526 -15.392 1.00 0.00 O ATOM 1009 CG2 THR A 63 -15.483 3.854 -13.204 1.00 0.00 C ATOM 0 H THR A 63 -18.632 2.275 -15.534 1.00 0.00 H new ATOM 0 HA THR A 63 -15.748 1.881 -15.066 1.00 0.00 H new ATOM 0 HB THR A 63 -17.516 4.030 -13.831 1.00 0.00 H new ATOM 0 HG1 THR A 63 -16.165 5.459 -15.106 1.00 0.00 H new ATOM 0 HG21 THR A 63 -15.400 4.901 -12.911 1.00 0.00 H new ATOM 0 HG22 THR A 63 -15.740 3.252 -12.332 1.00 0.00 H new ATOM 0 HG23 THR A 63 -14.530 3.515 -13.611 1.00 0.00 H new ATOM 1017 N LEU A 64 -16.183 0.654 -12.938 1.00 0.00 N ATOM 1018 CA LEU A 64 -16.456 -0.192 -11.781 1.00 0.00 C ATOM 1019 C LEU A 64 -15.603 0.226 -10.588 1.00 0.00 C ATOM 1020 O LEU A 64 -14.379 0.090 -10.606 1.00 0.00 O ATOM 1021 CB LEU A 64 -16.190 -1.659 -12.123 1.00 0.00 C ATOM 1022 CG LEU A 64 -17.315 -2.640 -11.791 1.00 0.00 C ATOM 1023 CD1 LEU A 64 -16.888 -4.066 -12.099 1.00 0.00 C ATOM 1024 CD2 LEU A 64 -17.724 -2.507 -10.331 1.00 0.00 C ATOM 0 H LEU A 64 -15.219 0.618 -13.268 1.00 0.00 H new ATOM 0 HA LEU A 64 -17.506 -0.072 -11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.976 -1.730 -13.190 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.290 -1.977 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 64 -18.177 -2.399 -12.413 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -17.701 -4.750 -11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.645 -4.152 -13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.011 -4.320 -11.504 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -18.526 -3.212 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -16.867 -2.722 -9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -18.072 -1.492 -10.142 1.00 0.00 H new ATOM 1036 N THR A 65 -16.257 0.735 -9.548 1.00 0.00 N ATOM 1037 CA THR A 65 -15.560 1.172 -8.345 1.00 0.00 C ATOM 1038 C THR A 65 -15.843 0.237 -7.175 1.00 0.00 C ATOM 1039 O THR A 65 -16.998 -0.046 -6.860 1.00 0.00 O ATOM 1040 CB THR A 65 -15.963 2.605 -7.951 1.00 0.00 C ATOM 1041 OG1 THR A 65 -15.658 3.511 -9.018 1.00 0.00 O ATOM 1042 CG2 THR A 65 -15.241 3.042 -6.686 1.00 0.00 C ATOM 0 H THR A 65 -17.269 0.855 -9.515 1.00 0.00 H new ATOM 0 HA THR A 65 -14.494 1.152 -8.573 1.00 0.00 H new ATOM 0 HB THR A 65 -17.036 2.617 -7.760 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.919 4.420 -8.760 1.00 0.00 H new ATOM 0 HG21 THR A 65 -15.542 4.057 -6.428 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.499 2.368 -5.869 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.164 3.014 -6.854 1.00 0.00 H new ATOM 1050 N MET A 66 -14.781 -0.240 -6.534 1.00 0.00 N ATOM 1051 CA MET A 66 -14.917 -1.142 -5.397 1.00 0.00 C ATOM 1052 C MET A 66 -13.651 -1.137 -4.544 1.00 0.00 C ATOM 1053 O MET A 66 -12.551 -0.925 -5.053 1.00 0.00 O ATOM 1054 CB MET A 66 -15.215 -2.563 -5.878 1.00 0.00 C ATOM 1055 CG MET A 66 -16.687 -2.935 -5.799 1.00 0.00 C ATOM 1056 SD MET A 66 -16.962 -4.712 -5.938 1.00 0.00 S ATOM 1057 CE MET A 66 -16.258 -5.038 -7.553 1.00 0.00 C ATOM 0 H MET A 66 -13.817 -0.017 -6.783 1.00 0.00 H new ATOM 0 HA MET A 66 -15.748 -0.791 -4.785 1.00 0.00 H new ATOM 0 HB2 MET A 66 -14.877 -2.667 -6.909 1.00 0.00 H new ATOM 0 HB3 MET A 66 -14.638 -3.269 -5.281 1.00 0.00 H new ATOM 0 HG2 MET A 66 -17.097 -2.581 -4.853 1.00 0.00 H new ATOM 0 HG3 MET A 66 -17.230 -2.424 -6.594 1.00 0.00 H new ATOM 0 HE1 MET A 66 -16.961 -5.624 -8.145 1.00 0.00 H new ATOM 0 HE2 MET A 66 -16.057 -4.094 -8.059 1.00 0.00 H new ATOM 0 HE3 MET A 66 -15.328 -5.594 -7.439 1.00 0.00 H new ATOM 1067 N GLU A 67 -13.816 -1.371 -3.246 1.00 0.00 N ATOM 1068 CA GLU A 67 -12.687 -1.391 -2.325 1.00 0.00 C ATOM 1069 C GLU A 67 -11.732 -2.534 -2.659 1.00 0.00 C ATOM 1070 O GLU A 67 -12.047 -3.401 -3.474 1.00 0.00 O ATOM 1071 CB GLU A 67 -13.179 -1.529 -0.882 1.00 0.00 C ATOM 1072 CG GLU A 67 -13.790 -0.255 -0.324 1.00 0.00 C ATOM 1073 CD GLU A 67 -15.026 -0.520 0.514 1.00 0.00 C ATOM 1074 OE1 GLU A 67 -14.893 -1.142 1.589 1.00 0.00 O ATOM 1075 OE2 GLU A 67 -16.127 -0.105 0.094 1.00 0.00 O ATOM 0 H GLU A 67 -14.720 -1.549 -2.809 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.150 -0.449 -2.430 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.919 -2.328 -0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.344 -1.829 -0.249 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.048 0.264 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.050 0.410 -1.148 1.00 0.00 H new ATOM 1082 N ASP A 68 -10.565 -2.526 -2.025 1.00 0.00 N ATOM 1083 CA ASP A 68 -9.564 -3.562 -2.255 1.00 0.00 C ATOM 1084 C ASP A 68 -10.033 -4.904 -1.702 1.00 0.00 C ATOM 1085 O ASP A 68 -9.999 -5.919 -2.397 1.00 0.00 O ATOM 1086 CB ASP A 68 -8.234 -3.167 -1.610 1.00 0.00 C ATOM 1087 CG ASP A 68 -7.083 -4.036 -2.078 1.00 0.00 C ATOM 1088 OD1 ASP A 68 -6.916 -4.188 -3.307 1.00 0.00 O ATOM 1089 OD2 ASP A 68 -6.349 -4.562 -1.216 1.00 0.00 O ATOM 0 H ASP A 68 -10.289 -1.815 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.422 -3.663 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.016 -2.125 -1.842 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.323 -3.240 -0.526 1.00 0.00 H new ATOM 1094 N ASP A 69 -10.470 -4.900 -0.447 1.00 0.00 N ATOM 1095 CA ASP A 69 -10.947 -6.117 0.200 1.00 0.00 C ATOM 1096 C ASP A 69 -12.245 -6.600 -0.440 1.00 0.00 C ATOM 1097 O ASP A 69 -12.538 -7.796 -0.446 1.00 0.00 O ATOM 1098 CB ASP A 69 -11.159 -5.876 1.695 1.00 0.00 C ATOM 1099 CG ASP A 69 -10.159 -6.628 2.550 1.00 0.00 C ATOM 1100 OD1 ASP A 69 -10.190 -7.877 2.540 1.00 0.00 O ATOM 1101 OD2 ASP A 69 -9.346 -5.969 3.232 1.00 0.00 O ATOM 0 H ASP A 69 -10.504 -4.068 0.142 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.189 -6.890 0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.080 -4.809 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.169 -6.181 1.970 1.00 0.00 H new ATOM 1106 N ILE A 70 -13.019 -5.662 -0.976 1.00 0.00 N ATOM 1107 CA ILE A 70 -14.285 -5.992 -1.617 1.00 0.00 C ATOM 1108 C ILE A 70 -14.065 -6.513 -3.033 1.00 0.00 C ATOM 1109 O ILE A 70 -14.573 -7.571 -3.402 1.00 0.00 O ATOM 1110 CB ILE A 70 -15.224 -4.772 -1.671 1.00 0.00 C ATOM 1111 CG1 ILE A 70 -15.280 -4.083 -0.306 1.00 0.00 C ATOM 1112 CG2 ILE A 70 -16.617 -5.194 -2.115 1.00 0.00 C ATOM 1113 CD1 ILE A 70 -16.124 -4.821 0.709 1.00 0.00 C ATOM 0 H ILE A 70 -12.791 -4.668 -0.979 1.00 0.00 H new ATOM 0 HA ILE A 70 -14.750 -6.772 -1.014 1.00 0.00 H new ATOM 0 HB ILE A 70 -14.831 -4.062 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -14.267 -3.980 0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -15.676 -3.076 -0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -17.268 -4.321 -2.148 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -16.562 -5.644 -3.106 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -17.019 -5.920 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -16.118 -4.275 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -17.147 -4.901 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -15.716 -5.820 0.865 1.00 0.00 H new ATOM 1125 N MET A 71 -13.303 -5.762 -3.822 1.00 0.00 N ATOM 1126 CA MET A 71 -13.013 -6.150 -5.197 1.00 0.00 C ATOM 1127 C MET A 71 -12.443 -7.564 -5.255 1.00 0.00 C ATOM 1128 O MET A 71 -12.636 -8.282 -6.236 1.00 0.00 O ATOM 1129 CB MET A 71 -12.028 -5.165 -5.831 1.00 0.00 C ATOM 1130 CG MET A 71 -11.772 -5.425 -7.306 1.00 0.00 C ATOM 1131 SD MET A 71 -12.829 -4.434 -8.380 1.00 0.00 S ATOM 1132 CE MET A 71 -11.615 -3.376 -9.165 1.00 0.00 C ATOM 0 H MET A 71 -12.876 -4.882 -3.533 1.00 0.00 H new ATOM 0 HA MET A 71 -13.948 -6.130 -5.758 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.412 -4.152 -5.711 1.00 0.00 H new ATOM 0 HB3 MET A 71 -11.082 -5.213 -5.293 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.728 -5.211 -7.533 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.934 -6.482 -7.518 1.00 0.00 H new ATOM 0 HE1 MET A 71 -11.782 -3.368 -10.242 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.709 -2.362 -8.775 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.614 -3.753 -8.956 1.00 0.00 H new ATOM 1142 N PHE A 72 -11.739 -7.957 -4.198 1.00 0.00 N ATOM 1143 CA PHE A 72 -11.140 -9.285 -4.129 1.00 0.00 C ATOM 1144 C PHE A 72 -12.215 -10.361 -4.015 1.00 0.00 C ATOM 1145 O PHE A 72 -12.138 -11.403 -4.666 1.00 0.00 O ATOM 1146 CB PHE A 72 -10.184 -9.375 -2.939 1.00 0.00 C ATOM 1147 CG PHE A 72 -9.084 -10.380 -3.128 1.00 0.00 C ATOM 1148 CD1 PHE A 72 -7.935 -10.047 -3.826 1.00 0.00 C ATOM 1149 CD2 PHE A 72 -9.199 -11.659 -2.607 1.00 0.00 C ATOM 1150 CE1 PHE A 72 -6.922 -10.970 -4.002 1.00 0.00 C ATOM 1151 CE2 PHE A 72 -8.189 -12.587 -2.779 1.00 0.00 C ATOM 1152 CZ PHE A 72 -7.049 -12.241 -3.477 1.00 0.00 C ATOM 0 H PHE A 72 -11.569 -7.375 -3.378 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.580 -9.452 -5.049 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -9.743 -8.394 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.752 -9.634 -2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -7.830 -9.054 -4.238 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -10.089 -11.934 -2.060 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.032 -10.698 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -8.291 -13.581 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.258 -12.963 -3.612 1.00 0.00 H new ATOM 1162 N ALA A 73 -13.217 -10.102 -3.181 1.00 0.00 N ATOM 1163 CA ALA A 73 -14.309 -11.047 -2.981 1.00 0.00 C ATOM 1164 C ALA A 73 -14.976 -11.403 -4.306 1.00 0.00 C ATOM 1165 O ALA A 73 -15.182 -12.578 -4.612 1.00 0.00 O ATOM 1166 CB ALA A 73 -15.331 -10.476 -2.010 1.00 0.00 C ATOM 0 H ALA A 73 -13.295 -9.245 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 73 -13.893 -11.961 -2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -16.140 -11.193 -1.871 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -14.851 -10.279 -1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -15.735 -9.546 -2.411 1.00 0.00 H new ATOM 1172 N ILE A 74 -15.313 -10.382 -5.086 1.00 0.00 N ATOM 1173 CA ILE A 74 -15.957 -10.588 -6.378 1.00 0.00 C ATOM 1174 C ILE A 74 -14.938 -10.974 -7.444 1.00 0.00 C ATOM 1175 O ILE A 74 -15.259 -11.684 -8.396 1.00 0.00 O ATOM 1176 CB ILE A 74 -16.711 -9.327 -6.838 1.00 0.00 C ATOM 1177 CG1 ILE A 74 -17.352 -8.623 -5.640 1.00 0.00 C ATOM 1178 CG2 ILE A 74 -17.767 -9.689 -7.872 1.00 0.00 C ATOM 1179 CD1 ILE A 74 -18.245 -9.524 -4.816 1.00 0.00 C ATOM 0 H ILE A 74 -15.151 -9.404 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 74 -16.671 -11.402 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 74 -15.998 -8.644 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -16.565 -8.222 -5.001 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -17.936 -7.775 -5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.292 -8.787 -8.187 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -17.288 -10.151 -8.735 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.479 -10.389 -7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -18.665 -8.958 -3.984 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -19.053 -9.905 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -17.661 -10.359 -4.429 1.00 0.00 H new ATOM 1191 N GLY A 75 -13.706 -10.503 -7.277 1.00 0.00 N ATOM 1192 CA GLY A 75 -12.658 -10.811 -8.232 1.00 0.00 C ATOM 1193 C GLY A 75 -12.276 -12.278 -8.221 1.00 0.00 C ATOM 1194 O GLY A 75 -11.929 -12.846 -9.258 1.00 0.00 O ATOM 0 H GLY A 75 -13.415 -9.913 -6.497 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.989 -10.533 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.778 -10.208 -8.008 1.00 0.00 H new ATOM 1198 N THR A 76 -12.339 -12.896 -7.046 1.00 0.00 N ATOM 1199 CA THR A 76 -11.995 -14.305 -6.903 1.00 0.00 C ATOM 1200 C THR A 76 -13.240 -15.183 -6.952 1.00 0.00 C ATOM 1201 O THR A 76 -13.160 -16.400 -6.797 1.00 0.00 O ATOM 1202 CB THR A 76 -11.246 -14.570 -5.584 1.00 0.00 C ATOM 1203 OG1 THR A 76 -10.798 -15.929 -5.539 1.00 0.00 O ATOM 1204 CG2 THR A 76 -12.141 -14.285 -4.387 1.00 0.00 C ATOM 0 H THR A 76 -12.625 -12.442 -6.179 1.00 0.00 H new ATOM 0 HA THR A 76 -11.343 -14.557 -7.739 1.00 0.00 H new ATOM 0 HB THR A 76 -10.385 -13.903 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 76 -11.463 -16.507 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.590 -14.479 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 76 -12.456 -13.242 -4.408 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.019 -14.930 -4.427 1.00 0.00 H new ATOM 1212 N GLY A 77 -14.393 -14.556 -7.170 1.00 0.00 N ATOM 1213 CA GLY A 77 -15.639 -15.296 -7.236 1.00 0.00 C ATOM 1214 C GLY A 77 -16.209 -15.597 -5.863 1.00 0.00 C ATOM 1215 O GLY A 77 -17.295 -16.162 -5.745 1.00 0.00 O ATOM 0 H GLY A 77 -14.485 -13.549 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -16.367 -14.724 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.474 -16.232 -7.771 1.00 0.00 H new ATOM 1219 N ALA A 78 -15.473 -15.218 -4.823 1.00 0.00 N ATOM 1220 CA ALA A 78 -15.911 -15.450 -3.453 1.00 0.00 C ATOM 1221 C ALA A 78 -17.335 -14.948 -3.239 1.00 0.00 C ATOM 1222 O ALA A 78 -18.279 -15.737 -3.170 1.00 0.00 O ATOM 1223 CB ALA A 78 -14.960 -14.778 -2.474 1.00 0.00 C ATOM 0 H ALA A 78 -14.571 -14.749 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.902 -16.525 -3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -15.299 -14.960 -1.454 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.958 -15.187 -2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.940 -13.705 -2.664 1.00 0.00 H new ATOM 1229 N LEU A 79 -17.484 -13.632 -3.134 1.00 0.00 N ATOM 1230 CA LEU A 79 -18.794 -13.025 -2.928 1.00 0.00 C ATOM 1231 C LEU A 79 -19.463 -12.706 -4.261 1.00 0.00 C ATOM 1232 O LEU A 79 -18.815 -12.303 -5.228 1.00 0.00 O ATOM 1233 CB LEU A 79 -18.660 -11.750 -2.093 1.00 0.00 C ATOM 1234 CG LEU A 79 -19.534 -11.673 -0.841 1.00 0.00 C ATOM 1235 CD1 LEU A 79 -18.726 -11.167 0.344 1.00 0.00 C ATOM 1236 CD2 LEU A 79 -20.741 -10.779 -1.086 1.00 0.00 C ATOM 0 H LEU A 79 -16.714 -12.965 -3.188 1.00 0.00 H new ATOM 0 HA LEU A 79 -19.419 -13.740 -2.392 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -17.618 -11.645 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -18.895 -10.897 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 79 -19.891 -12.676 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -19.365 -11.119 1.226 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.895 -11.846 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -18.338 -10.173 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -21.351 -10.736 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -20.404 -9.775 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -21.334 -11.184 -1.906 1.00 0.00 H new ATOM 1248 N PRO A 80 -20.790 -12.888 -4.316 1.00 0.00 N ATOM 1249 CA PRO A 80 -21.576 -12.623 -5.525 1.00 0.00 C ATOM 1250 C PRO A 80 -21.669 -11.134 -5.841 1.00 0.00 C ATOM 1251 O PRO A 80 -22.102 -10.339 -5.008 1.00 0.00 O ATOM 1252 CB PRO A 80 -22.959 -13.183 -5.179 1.00 0.00 C ATOM 1253 CG PRO A 80 -23.028 -13.127 -3.692 1.00 0.00 C ATOM 1254 CD PRO A 80 -21.627 -13.366 -3.202 1.00 0.00 C ATOM 0 HA PRO A 80 -21.127 -13.074 -6.410 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -23.752 -12.590 -5.635 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -23.075 -14.204 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -23.399 -12.159 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -23.711 -13.883 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -21.424 -12.817 -2.282 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -21.450 -14.420 -2.990 1.00 0.00 H new ATOM 1262 N ALA A 81 -21.260 -10.765 -7.051 1.00 0.00 N ATOM 1263 CA ALA A 81 -21.299 -9.372 -7.478 1.00 0.00 C ATOM 1264 C ALA A 81 -22.711 -8.806 -7.377 1.00 0.00 C ATOM 1265 O ALA A 81 -22.899 -7.600 -7.219 1.00 0.00 O ATOM 1266 CB ALA A 81 -20.776 -9.241 -8.901 1.00 0.00 C ATOM 0 H ALA A 81 -20.898 -11.411 -7.752 1.00 0.00 H new ATOM 0 HA ALA A 81 -20.657 -8.796 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -20.811 -8.195 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -19.747 -9.598 -8.945 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -21.395 -9.836 -9.572 1.00 0.00 H new ATOM 1272 N LYS A 82 -23.703 -9.685 -7.471 1.00 0.00 N ATOM 1273 CA LYS A 82 -25.100 -9.274 -7.390 1.00 0.00 C ATOM 1274 C LYS A 82 -25.433 -8.748 -5.998 1.00 0.00 C ATOM 1275 O LYS A 82 -26.015 -7.674 -5.854 1.00 0.00 O ATOM 1276 CB LYS A 82 -26.019 -10.448 -7.737 1.00 0.00 C ATOM 1277 CG LYS A 82 -25.666 -11.732 -7.007 1.00 0.00 C ATOM 1278 CD LYS A 82 -26.571 -12.879 -7.426 1.00 0.00 C ATOM 1279 CE LYS A 82 -26.014 -13.616 -8.634 1.00 0.00 C ATOM 1280 NZ LYS A 82 -26.834 -14.809 -8.983 1.00 0.00 N ATOM 0 H LYS A 82 -23.565 -10.687 -7.603 1.00 0.00 H new ATOM 0 HA LYS A 82 -25.259 -8.471 -8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -27.048 -10.176 -7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -25.976 -10.627 -8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -24.628 -11.994 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -25.750 -11.575 -5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -26.686 -13.575 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -27.564 -12.494 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -25.977 -12.939 -9.487 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -24.990 -13.927 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -26.421 -15.284 -9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -26.849 -15.468 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -27.805 -14.510 -9.204 1.00 0.00 H new ATOM 1294 N GLU A 83 -25.057 -9.511 -4.976 1.00 0.00 N ATOM 1295 CA GLU A 83 -25.316 -9.120 -3.596 1.00 0.00 C ATOM 1296 C GLU A 83 -24.571 -7.835 -3.246 1.00 0.00 C ATOM 1297 O GLU A 83 -25.168 -6.869 -2.770 1.00 0.00 O ATOM 1298 CB GLU A 83 -24.901 -10.240 -2.639 1.00 0.00 C ATOM 1299 CG GLU A 83 -25.713 -11.513 -2.803 1.00 0.00 C ATOM 1300 CD GLU A 83 -27.171 -11.328 -2.427 1.00 0.00 C ATOM 1301 OE1 GLU A 83 -27.440 -10.957 -1.265 1.00 0.00 O ATOM 1302 OE2 GLU A 83 -28.041 -11.555 -3.293 1.00 0.00 O ATOM 0 H GLU A 83 -24.572 -10.403 -5.078 1.00 0.00 H new ATOM 0 HA GLU A 83 -26.386 -8.940 -3.491 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -23.847 -10.469 -2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -25.001 -9.885 -1.613 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -25.648 -11.850 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -25.279 -12.299 -2.184 1.00 0.00 H new ATOM 1309 N ALA A 84 -23.264 -7.832 -3.485 1.00 0.00 N ATOM 1310 CA ALA A 84 -22.437 -6.666 -3.197 1.00 0.00 C ATOM 1311 C ALA A 84 -23.054 -5.399 -3.779 1.00 0.00 C ATOM 1312 O ALA A 84 -23.005 -4.334 -3.164 1.00 0.00 O ATOM 1313 CB ALA A 84 -21.031 -6.869 -3.740 1.00 0.00 C ATOM 0 H ALA A 84 -22.755 -8.624 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 84 -22.382 -6.548 -2.115 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -20.425 -5.991 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -20.584 -7.746 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -21.075 -7.016 -4.819 1.00 0.00 H new ATOM 1319 N MET A 85 -23.632 -5.521 -4.969 1.00 0.00 N ATOM 1320 CA MET A 85 -24.258 -4.384 -5.635 1.00 0.00 C ATOM 1321 C MET A 85 -25.522 -3.952 -4.898 1.00 0.00 C ATOM 1322 O MET A 85 -25.805 -2.760 -4.779 1.00 0.00 O ATOM 1323 CB MET A 85 -24.594 -4.736 -7.085 1.00 0.00 C ATOM 1324 CG MET A 85 -23.907 -3.840 -8.103 1.00 0.00 C ATOM 1325 SD MET A 85 -24.889 -3.606 -9.597 1.00 0.00 S ATOM 1326 CE MET A 85 -25.403 -1.901 -9.400 1.00 0.00 C ATOM 0 H MET A 85 -23.680 -6.395 -5.492 1.00 0.00 H new ATOM 0 HA MET A 85 -23.551 -3.554 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 85 -24.310 -5.771 -7.274 1.00 0.00 H new ATOM 0 HB3 MET A 85 -25.673 -4.671 -7.225 1.00 0.00 H new ATOM 0 HG2 MET A 85 -23.706 -2.869 -7.650 1.00 0.00 H new ATOM 0 HG3 MET A 85 -22.943 -4.273 -8.371 1.00 0.00 H new ATOM 0 HE1 MET A 85 -26.021 -1.607 -10.249 1.00 0.00 H new ATOM 0 HE2 MET A 85 -25.978 -1.798 -8.480 1.00 0.00 H new ATOM 0 HE3 MET A 85 -24.523 -1.259 -9.352 1.00 0.00 H new ATOM 1336 N ALA A 86 -26.278 -4.928 -4.406 1.00 0.00 N ATOM 1337 CA ALA A 86 -27.510 -4.647 -3.680 1.00 0.00 C ATOM 1338 C ALA A 86 -27.216 -4.187 -2.256 1.00 0.00 C ATOM 1339 O ALA A 86 -28.064 -3.578 -1.604 1.00 0.00 O ATOM 1340 CB ALA A 86 -28.405 -5.878 -3.664 1.00 0.00 C ATOM 0 H ALA A 86 -26.059 -5.920 -4.497 1.00 0.00 H new ATOM 0 HA ALA A 86 -28.030 -3.839 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -29.322 -5.654 -3.119 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -28.652 -6.162 -4.687 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -27.883 -6.701 -3.175 1.00 0.00 H new ATOM 1346 N GLN A 87 -26.010 -4.481 -1.781 1.00 0.00 N ATOM 1347 CA GLN A 87 -25.605 -4.098 -0.434 1.00 0.00 C ATOM 1348 C GLN A 87 -24.994 -2.701 -0.426 1.00 0.00 C ATOM 1349 O GLN A 87 -24.456 -2.254 0.587 1.00 0.00 O ATOM 1350 CB GLN A 87 -24.604 -5.109 0.128 1.00 0.00 C ATOM 1351 CG GLN A 87 -25.198 -6.489 0.360 1.00 0.00 C ATOM 1352 CD GLN A 87 -25.279 -6.850 1.830 1.00 0.00 C ATOM 1353 OE1 GLN A 87 -25.788 -6.079 2.644 1.00 0.00 O ATOM 1354 NE2 GLN A 87 -24.776 -8.029 2.179 1.00 0.00 N ATOM 0 H GLN A 87 -25.296 -4.983 -2.309 1.00 0.00 H new ATOM 0 HA GLN A 87 -26.494 -4.089 0.197 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -23.763 -5.196 -0.560 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -24.208 -4.730 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -26.196 -6.528 -0.075 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -24.594 -7.232 -0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -24.363 -8.637 1.472 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -24.803 -8.326 3.154 1.00 0.00 H new ATOM 1363 N ASP A 88 -25.080 -2.016 -1.561 1.00 0.00 N ATOM 1364 CA ASP A 88 -24.536 -0.669 -1.685 1.00 0.00 C ATOM 1365 C ASP A 88 -23.039 -0.658 -1.391 1.00 0.00 C ATOM 1366 O ASP A 88 -22.465 0.383 -1.072 1.00 0.00 O ATOM 1367 CB ASP A 88 -25.261 0.286 -0.735 1.00 0.00 C ATOM 1368 CG ASP A 88 -26.606 0.730 -1.276 1.00 0.00 C ATOM 1369 OD1 ASP A 88 -26.673 1.104 -2.465 1.00 0.00 O ATOM 1370 OD2 ASP A 88 -27.592 0.703 -0.509 1.00 0.00 O ATOM 0 H ASP A 88 -25.522 -2.372 -2.409 1.00 0.00 H new ATOM 0 HA ASP A 88 -24.689 -0.335 -2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -25.404 -0.203 0.228 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -24.637 1.162 -0.558 1.00 0.00 H new ATOM 1375 N LYS A 89 -22.412 -1.825 -1.500 1.00 0.00 N ATOM 1376 CA LYS A 89 -20.982 -1.951 -1.247 1.00 0.00 C ATOM 1377 C LYS A 89 -20.186 -1.811 -2.541 1.00 0.00 C ATOM 1378 O LYS A 89 -18.958 -1.898 -2.538 1.00 0.00 O ATOM 1379 CB LYS A 89 -20.676 -3.300 -0.592 1.00 0.00 C ATOM 1380 CG LYS A 89 -21.180 -3.410 0.836 1.00 0.00 C ATOM 1381 CD LYS A 89 -20.315 -4.348 1.662 1.00 0.00 C ATOM 1382 CE LYS A 89 -20.870 -5.764 1.662 1.00 0.00 C ATOM 1383 NZ LYS A 89 -20.403 -6.543 2.842 1.00 0.00 N ATOM 0 H LYS A 89 -22.872 -2.697 -1.762 1.00 0.00 H new ATOM 0 HA LYS A 89 -20.686 -1.149 -0.570 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.124 -4.094 -1.189 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -19.598 -3.463 -0.602 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.190 -2.422 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.209 -3.770 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.300 -4.354 1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -20.253 -3.980 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -21.959 -5.727 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.566 -6.273 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.803 -7.502 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -19.365 -6.600 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -20.715 -6.071 3.715 1.00 0.00 H new ATOM 1397 N MET A 90 -20.893 -1.591 -3.644 1.00 0.00 N ATOM 1398 CA MET A 90 -20.251 -1.435 -4.945 1.00 0.00 C ATOM 1399 C MET A 90 -21.176 -0.722 -5.926 1.00 0.00 C ATOM 1400 O MET A 90 -22.391 -0.914 -5.898 1.00 0.00 O ATOM 1401 CB MET A 90 -19.849 -2.801 -5.505 1.00 0.00 C ATOM 1402 CG MET A 90 -21.029 -3.636 -5.975 1.00 0.00 C ATOM 1403 SD MET A 90 -20.524 -5.217 -6.680 1.00 0.00 S ATOM 1404 CE MET A 90 -19.773 -4.679 -8.214 1.00 0.00 C ATOM 0 H MET A 90 -21.910 -1.517 -3.664 1.00 0.00 H new ATOM 0 HA MET A 90 -19.356 -0.827 -4.811 1.00 0.00 H new ATOM 0 HB2 MET A 90 -19.163 -2.655 -6.339 1.00 0.00 H new ATOM 0 HB3 MET A 90 -19.306 -3.353 -4.738 1.00 0.00 H new ATOM 0 HG2 MET A 90 -21.700 -3.815 -5.135 1.00 0.00 H new ATOM 0 HG3 MET A 90 -21.593 -3.074 -6.719 1.00 0.00 H new ATOM 0 HE1 MET A 90 -19.458 -5.549 -8.790 1.00 0.00 H new ATOM 0 HE2 MET A 90 -20.497 -4.104 -8.792 1.00 0.00 H new ATOM 0 HE3 MET A 90 -18.906 -4.056 -7.996 1.00 0.00 H new ATOM 1414 N GLU A 91 -20.592 0.101 -6.791 1.00 0.00 N ATOM 1415 CA GLU A 91 -21.366 0.843 -7.780 1.00 0.00 C ATOM 1416 C GLU A 91 -20.705 0.770 -9.154 1.00 0.00 C ATOM 1417 O GLU A 91 -19.536 0.404 -9.274 1.00 0.00 O ATOM 1418 CB GLU A 91 -21.515 2.304 -7.351 1.00 0.00 C ATOM 1419 CG GLU A 91 -22.613 2.528 -6.324 1.00 0.00 C ATOM 1420 CD GLU A 91 -22.102 3.188 -5.058 1.00 0.00 C ATOM 1421 OE1 GLU A 91 -21.504 2.483 -4.220 1.00 0.00 O ATOM 1422 OE2 GLU A 91 -22.301 4.412 -4.907 1.00 0.00 O ATOM 0 H GLU A 91 -19.587 0.271 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 91 -22.354 0.388 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.567 2.651 -6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -21.722 2.913 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -23.395 3.148 -6.763 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -23.070 1.571 -6.071 1.00 0.00 H new ATOM 1429 N VAL A 92 -21.464 1.121 -10.187 1.00 0.00 N ATOM 1430 CA VAL A 92 -20.954 1.097 -11.553 1.00 0.00 C ATOM 1431 C VAL A 92 -21.560 2.220 -12.386 1.00 0.00 C ATOM 1432 O VAL A 92 -22.714 2.600 -12.189 1.00 0.00 O ATOM 1433 CB VAL A 92 -21.247 -0.252 -12.238 1.00 0.00 C ATOM 1434 CG1 VAL A 92 -20.290 -1.323 -11.739 1.00 0.00 C ATOM 1435 CG2 VAL A 92 -22.693 -0.665 -12.002 1.00 0.00 C ATOM 0 H VAL A 92 -22.434 1.425 -10.104 1.00 0.00 H new ATOM 0 HA VAL A 92 -19.875 1.237 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 92 -21.096 -0.136 -13.311 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -20.512 -2.269 -12.234 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -19.265 -1.028 -11.963 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -20.406 -1.441 -10.662 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -22.883 -1.620 -12.492 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -22.873 -0.765 -10.932 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -23.360 0.093 -12.413 1.00 0.00 H new ATOM 1445 N ASP A 93 -20.775 2.747 -13.319 1.00 0.00 N ATOM 1446 CA ASP A 93 -21.234 3.827 -14.185 1.00 0.00 C ATOM 1447 C ASP A 93 -21.137 3.424 -15.653 1.00 0.00 C ATOM 1448 O ASP A 93 -20.537 2.405 -15.990 1.00 0.00 O ATOM 1449 CB ASP A 93 -20.414 5.094 -13.935 1.00 0.00 C ATOM 1450 CG ASP A 93 -21.275 6.341 -13.889 1.00 0.00 C ATOM 1451 OD1 ASP A 93 -22.382 6.276 -13.315 1.00 0.00 O ATOM 1452 OD2 ASP A 93 -20.842 7.381 -14.427 1.00 0.00 O ATOM 0 H ASP A 93 -19.817 2.444 -13.495 1.00 0.00 H new ATOM 0 HA ASP A 93 -22.279 4.029 -13.950 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -19.874 4.994 -12.993 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -19.667 5.201 -14.721 1.00 0.00 H new ATOM 1457 N GLY A 94 -21.735 4.232 -16.524 1.00 0.00 N ATOM 1458 CA GLY A 94 -21.705 3.943 -17.946 1.00 0.00 C ATOM 1459 C GLY A 94 -23.000 3.329 -18.439 1.00 0.00 C ATOM 1460 O GLY A 94 -24.055 3.959 -18.379 1.00 0.00 O ATOM 0 H GLY A 94 -22.240 5.081 -16.270 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.510 4.863 -18.497 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.880 3.263 -18.158 1.00 0.00 H new ATOM 1464 N GLN A 95 -22.919 2.096 -18.930 1.00 0.00 N ATOM 1465 CA GLN A 95 -24.094 1.398 -19.438 1.00 0.00 C ATOM 1466 C GLN A 95 -24.451 0.213 -18.547 1.00 0.00 C ATOM 1467 O GLN A 95 -23.695 -0.755 -18.451 1.00 0.00 O ATOM 1468 CB GLN A 95 -23.849 0.919 -20.870 1.00 0.00 C ATOM 1469 CG GLN A 95 -24.187 1.959 -21.926 1.00 0.00 C ATOM 1470 CD GLN A 95 -25.563 2.565 -21.729 1.00 0.00 C ATOM 1471 OE1 GLN A 95 -25.694 3.695 -21.257 1.00 0.00 O ATOM 1472 NE2 GLN A 95 -26.597 1.815 -22.090 1.00 0.00 N ATOM 0 H GLN A 95 -22.053 1.561 -18.987 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.931 2.097 -19.434 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -22.802 0.634 -20.975 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -24.443 0.023 -21.051 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -23.439 2.751 -21.903 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -24.134 1.499 -22.913 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -26.441 0.884 -22.477 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -27.547 2.170 -21.981 1.00 0.00 H new ATOM 1481 N VAL A 96 -25.607 0.295 -17.896 1.00 0.00 N ATOM 1482 CA VAL A 96 -26.064 -0.771 -17.013 1.00 0.00 C ATOM 1483 C VAL A 96 -25.888 -2.138 -17.665 1.00 0.00 C ATOM 1484 O VAL A 96 -25.336 -3.057 -17.061 1.00 0.00 O ATOM 1485 CB VAL A 96 -27.544 -0.585 -16.629 1.00 0.00 C ATOM 1486 CG1 VAL A 96 -27.983 -1.669 -15.656 1.00 0.00 C ATOM 1487 CG2 VAL A 96 -27.770 0.798 -16.037 1.00 0.00 C ATOM 0 H VAL A 96 -26.244 1.089 -17.964 1.00 0.00 H new ATOM 0 HA VAL A 96 -25.453 -0.720 -16.112 1.00 0.00 H new ATOM 0 HB VAL A 96 -28.150 -0.673 -17.531 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -29.031 -1.522 -15.396 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -27.859 -2.647 -16.121 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -27.374 -1.616 -14.753 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -28.821 0.913 -15.771 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -27.155 0.917 -15.145 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -27.496 1.557 -16.770 1.00 0.00 H new ATOM 1497 N GLU A 97 -26.360 -2.264 -18.901 1.00 0.00 N ATOM 1498 CA GLU A 97 -26.255 -3.520 -19.634 1.00 0.00 C ATOM 1499 C GLU A 97 -24.796 -3.944 -19.780 1.00 0.00 C ATOM 1500 O GLU A 97 -24.411 -5.037 -19.363 1.00 0.00 O ATOM 1501 CB GLU A 97 -26.898 -3.385 -21.016 1.00 0.00 C ATOM 1502 CG GLU A 97 -28.222 -4.120 -21.145 1.00 0.00 C ATOM 1503 CD GLU A 97 -29.332 -3.467 -20.343 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -29.429 -2.223 -20.370 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -30.102 -4.201 -19.689 1.00 0.00 O ATOM 0 H GLU A 97 -26.819 -1.512 -19.416 1.00 0.00 H new ATOM 0 HA GLU A 97 -26.784 -4.287 -19.068 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -27.056 -2.328 -21.233 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -26.206 -3.765 -21.768 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -28.511 -4.158 -22.195 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -28.096 -5.150 -20.812 1.00 0.00 H new ATOM 1512 N LEU A 98 -23.990 -3.072 -20.375 1.00 0.00 N ATOM 1513 CA LEU A 98 -22.573 -3.355 -20.577 1.00 0.00 C ATOM 1514 C LEU A 98 -21.915 -3.798 -19.274 1.00 0.00 C ATOM 1515 O LEU A 98 -20.972 -4.590 -19.282 1.00 0.00 O ATOM 1516 CB LEU A 98 -21.859 -2.119 -21.127 1.00 0.00 C ATOM 1517 CG LEU A 98 -21.388 -2.206 -22.579 1.00 0.00 C ATOM 1518 CD1 LEU A 98 -20.129 -3.054 -22.682 1.00 0.00 C ATOM 1519 CD2 LEU A 98 -22.489 -2.774 -23.464 1.00 0.00 C ATOM 0 H LEU A 98 -24.293 -2.163 -20.726 1.00 0.00 H new ATOM 0 HA LEU A 98 -22.490 -4.167 -21.299 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -22.530 -1.265 -21.034 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -20.993 -1.914 -20.497 1.00 0.00 H new ATOM 0 HG LEU A 98 -21.153 -1.200 -22.925 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -19.809 -3.105 -23.723 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -19.338 -2.606 -22.080 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -20.337 -4.060 -22.317 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -22.136 -2.829 -24.494 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -22.755 -3.773 -23.118 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -23.365 -2.128 -23.415 1.00 0.00 H new ATOM 1531 N ILE A 99 -22.419 -3.284 -18.158 1.00 0.00 N ATOM 1532 CA ILE A 99 -21.883 -3.630 -16.848 1.00 0.00 C ATOM 1533 C ILE A 99 -22.235 -5.065 -16.470 1.00 0.00 C ATOM 1534 O ILE A 99 -21.364 -5.853 -16.103 1.00 0.00 O ATOM 1535 CB ILE A 99 -22.408 -2.680 -15.755 1.00 0.00 C ATOM 1536 CG1 ILE A 99 -21.955 -1.245 -16.035 1.00 0.00 C ATOM 1537 CG2 ILE A 99 -21.931 -3.134 -14.384 1.00 0.00 C ATOM 1538 CD1 ILE A 99 -22.906 -0.196 -15.504 1.00 0.00 C ATOM 0 H ILE A 99 -23.198 -2.626 -18.135 1.00 0.00 H new ATOM 0 HA ILE A 99 -20.800 -3.530 -16.915 1.00 0.00 H new ATOM 0 HB ILE A 99 -23.498 -2.706 -15.765 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -20.972 -1.090 -15.591 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -21.844 -1.111 -17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -22.310 -2.452 -13.623 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -22.299 -4.141 -14.186 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -20.841 -3.135 -14.360 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -22.521 0.796 -15.739 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -23.885 -0.324 -15.967 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -22.999 -0.303 -14.423 1.00 0.00 H new ATOM 1550 N PHE A 100 -23.518 -5.397 -16.565 1.00 0.00 N ATOM 1551 CA PHE A 100 -23.987 -6.738 -16.235 1.00 0.00 C ATOM 1552 C PHE A 100 -23.505 -7.753 -17.268 1.00 0.00 C ATOM 1553 O PHE A 100 -23.436 -8.951 -16.992 1.00 0.00 O ATOM 1554 CB PHE A 100 -25.515 -6.762 -16.154 1.00 0.00 C ATOM 1555 CG PHE A 100 -26.052 -6.310 -14.826 1.00 0.00 C ATOM 1556 CD1 PHE A 100 -25.995 -7.144 -13.721 1.00 0.00 C ATOM 1557 CD2 PHE A 100 -26.613 -5.051 -14.683 1.00 0.00 C ATOM 1558 CE1 PHE A 100 -26.489 -6.730 -12.498 1.00 0.00 C ATOM 1559 CE2 PHE A 100 -27.108 -4.632 -13.462 1.00 0.00 C ATOM 1560 CZ PHE A 100 -27.045 -5.472 -12.368 1.00 0.00 C ATOM 0 H PHE A 100 -24.252 -4.756 -16.868 1.00 0.00 H new ATOM 0 HA PHE A 100 -23.574 -7.011 -15.264 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -25.923 -6.124 -16.938 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -25.866 -7.775 -16.353 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -25.560 -8.128 -13.816 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -26.664 -4.389 -15.535 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -26.440 -7.390 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -27.544 -3.649 -13.364 1.00 0.00 H new ATOM 0 HZ PHE A 100 -27.430 -5.146 -11.413 1.00 0.00 H new ATOM 1570 N LEU A 101 -23.175 -7.264 -18.458 1.00 0.00 N ATOM 1571 CA LEU A 101 -22.700 -8.127 -19.534 1.00 0.00 C ATOM 1572 C LEU A 101 -21.435 -8.872 -19.117 1.00 0.00 C ATOM 1573 O LEU A 101 -21.070 -9.882 -19.719 1.00 0.00 O ATOM 1574 CB LEU A 101 -22.428 -7.302 -20.793 1.00 0.00 C ATOM 1575 CG LEU A 101 -23.576 -7.214 -21.799 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -23.301 -6.130 -22.830 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -23.794 -8.557 -22.479 1.00 0.00 C ATOM 0 H LEU A 101 -23.227 -6.275 -18.702 1.00 0.00 H new ATOM 0 HA LEU A 101 -23.477 -8.861 -19.748 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.159 -6.290 -20.489 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -21.560 -7.724 -21.299 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.486 -6.951 -21.260 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.129 -6.082 -23.537 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -23.197 -5.168 -22.328 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -22.380 -6.362 -23.365 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -24.615 -8.475 -23.191 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.885 -8.850 -23.005 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -24.038 -9.309 -21.729 1.00 0.00 H new ATOM 1589 N LEU A 102 -20.773 -8.368 -18.082 1.00 0.00 N ATOM 1590 CA LEU A 102 -19.550 -8.987 -17.582 1.00 0.00 C ATOM 1591 C LEU A 102 -19.852 -9.936 -16.427 1.00 0.00 C ATOM 1592 O LEU A 102 -19.128 -10.905 -16.202 1.00 0.00 O ATOM 1593 CB LEU A 102 -18.560 -7.912 -17.128 1.00 0.00 C ATOM 1594 CG LEU A 102 -17.949 -7.052 -18.235 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -18.093 -5.575 -17.904 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -16.485 -7.414 -18.445 1.00 0.00 C ATOM 0 H LEU A 102 -21.062 -7.533 -17.573 1.00 0.00 H new ATOM 0 HA LEU A 102 -19.106 -9.563 -18.394 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -19.067 -7.254 -16.422 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -17.750 -8.399 -16.585 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.488 -7.249 -19.162 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.653 -4.978 -18.703 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -19.149 -5.326 -17.805 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -17.580 -5.361 -16.966 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -16.066 -6.792 -19.236 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -15.932 -7.246 -17.521 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -16.407 -8.464 -18.729 1.00 0.00 H new ATOM 1608 N GLU A 103 -20.928 -9.650 -15.700 1.00 0.00 N ATOM 1609 CA GLU A 103 -21.326 -10.480 -14.569 1.00 0.00 C ATOM 1610 C GLU A 103 -21.109 -11.959 -14.876 1.00 0.00 C ATOM 1611 O GLU A 103 -20.405 -12.671 -14.160 1.00 0.00 O ATOM 1612 CB GLU A 103 -22.795 -10.231 -14.218 1.00 0.00 C ATOM 1613 CG GLU A 103 -23.021 -9.887 -12.755 1.00 0.00 C ATOM 1614 CD GLU A 103 -22.925 -8.399 -12.484 1.00 0.00 C ATOM 1615 OE1 GLU A 103 -21.925 -7.781 -12.906 1.00 0.00 O ATOM 1616 OE2 GLU A 103 -23.852 -7.851 -11.850 1.00 0.00 O ATOM 0 H GLU A 103 -21.538 -8.851 -15.874 1.00 0.00 H new ATOM 0 HA GLU A 103 -20.704 -10.209 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -23.175 -9.418 -14.837 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -23.375 -11.119 -14.468 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -24.004 -10.245 -12.449 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -22.286 -10.412 -12.145 1.00 0.00 H new ATOM 1623 N PRO A 104 -21.729 -12.434 -15.967 1.00 0.00 N ATOM 1624 CA PRO A 104 -21.619 -13.832 -16.394 1.00 0.00 C ATOM 1625 C PRO A 104 -20.228 -14.170 -16.917 1.00 0.00 C ATOM 1626 O PRO A 104 -19.758 -15.299 -16.774 1.00 0.00 O ATOM 1627 CB PRO A 104 -22.654 -13.942 -17.517 1.00 0.00 C ATOM 1628 CG PRO A 104 -22.789 -12.555 -18.044 1.00 0.00 C ATOM 1629 CD PRO A 104 -22.584 -11.642 -16.867 1.00 0.00 C ATOM 0 HA PRO A 104 -21.789 -14.525 -15.570 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -22.323 -14.631 -18.294 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -23.606 -14.318 -17.143 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -22.051 -12.360 -18.822 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -23.771 -12.401 -18.490 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -22.103 -10.709 -17.161 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -23.530 -11.378 -16.394 1.00 0.00 H new ATOM 1637 N PHE A 105 -19.573 -13.186 -17.524 1.00 0.00 N ATOM 1638 CA PHE A 105 -18.234 -13.380 -18.069 1.00 0.00 C ATOM 1639 C PHE A 105 -17.261 -13.818 -16.978 1.00 0.00 C ATOM 1640 O PHE A 105 -16.226 -14.422 -17.261 1.00 0.00 O ATOM 1641 CB PHE A 105 -17.736 -12.091 -18.725 1.00 0.00 C ATOM 1642 CG PHE A 105 -18.153 -11.949 -20.161 1.00 0.00 C ATOM 1643 CD1 PHE A 105 -19.456 -12.217 -20.547 1.00 0.00 C ATOM 1644 CD2 PHE A 105 -17.241 -11.550 -21.125 1.00 0.00 C ATOM 1645 CE1 PHE A 105 -19.844 -12.087 -21.868 1.00 0.00 C ATOM 1646 CE2 PHE A 105 -17.623 -11.418 -22.447 1.00 0.00 C ATOM 1647 CZ PHE A 105 -18.925 -11.688 -22.819 1.00 0.00 C ATOM 0 H PHE A 105 -19.948 -12.246 -17.651 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.286 -14.166 -18.822 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -18.110 -11.237 -18.160 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -16.648 -12.060 -18.666 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -20.178 -12.531 -19.807 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.221 -11.340 -20.840 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -20.864 -12.297 -22.156 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.903 -11.104 -23.189 1.00 0.00 H new ATOM 0 HZ PHE A 105 -19.224 -11.587 -23.852 1.00 0.00 H new ATOM 1657 N ILE A 106 -17.600 -13.508 -15.732 1.00 0.00 N ATOM 1658 CA ILE A 106 -16.758 -13.870 -14.599 1.00 0.00 C ATOM 1659 C ILE A 106 -16.601 -15.383 -14.491 1.00 0.00 C ATOM 1660 O ILE A 106 -15.602 -15.878 -13.969 1.00 0.00 O ATOM 1661 CB ILE A 106 -17.331 -13.329 -13.275 1.00 0.00 C ATOM 1662 CG1 ILE A 106 -17.548 -11.817 -13.368 1.00 0.00 C ATOM 1663 CG2 ILE A 106 -16.402 -13.666 -12.119 1.00 0.00 C ATOM 1664 CD1 ILE A 106 -18.292 -11.240 -12.185 1.00 0.00 C ATOM 0 H ILE A 106 -18.452 -13.007 -15.481 1.00 0.00 H new ATOM 0 HA ILE A 106 -15.782 -13.417 -14.775 1.00 0.00 H new ATOM 0 HB ILE A 106 -18.294 -13.805 -13.092 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -16.580 -11.324 -13.454 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -18.102 -11.593 -14.280 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -16.820 -13.277 -11.191 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -16.293 -14.748 -12.043 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -15.425 -13.215 -12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -18.410 -10.165 -12.319 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -19.274 -11.706 -12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -17.729 -11.433 -11.272 1.00 0.00 H new ATOM 1676 N ALA A 107 -17.593 -16.112 -14.990 1.00 0.00 N ATOM 1677 CA ALA A 107 -17.564 -17.569 -14.953 1.00 0.00 C ATOM 1678 C ALA A 107 -16.419 -18.116 -15.798 1.00 0.00 C ATOM 1679 O ALA A 107 -15.828 -19.145 -15.469 1.00 0.00 O ATOM 1680 CB ALA A 107 -18.893 -18.136 -15.432 1.00 0.00 C ATOM 0 H ALA A 107 -18.427 -15.718 -15.425 1.00 0.00 H new ATOM 0 HA ALA A 107 -17.400 -17.879 -13.921 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -18.857 -19.225 -15.399 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -19.695 -17.780 -14.785 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -19.080 -17.810 -16.455 1.00 0.00 H new ATOM 1686 N SER A 108 -16.110 -17.423 -16.889 1.00 0.00 N ATOM 1687 CA SER A 108 -15.038 -17.842 -17.784 1.00 0.00 C ATOM 1688 C SER A 108 -13.674 -17.627 -17.136 1.00 0.00 C ATOM 1689 O SER A 108 -12.797 -18.489 -17.207 1.00 0.00 O ATOM 1690 CB SER A 108 -15.115 -17.071 -19.103 1.00 0.00 C ATOM 1691 OG SER A 108 -14.841 -17.918 -20.206 1.00 0.00 O ATOM 0 H SER A 108 -16.587 -16.568 -17.175 1.00 0.00 H new ATOM 0 HA SER A 108 -15.162 -18.906 -17.985 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.107 -16.633 -19.214 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.402 -16.246 -19.088 1.00 0.00 H new ATOM 0 HG SER A 108 -14.898 -17.402 -21.037 1.00 0.00 H new