USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 738 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 78 GLN : amide:sc= 0.934 K(o=-4,f=-9.3!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -167:sc= -4.93! (180deg=-5.47!) USER MOD Set 2.1: A 5 GLN : amide:sc= -4.23 K(o=-8.7,f=-1.9) USER MOD Set 2.2: A 89 GLN : amide:sc= -4.5 K(o=-8.7,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= -1.73! (180deg=-4.55!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 20 THR OG1 : rot -28:sc= -2.53 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.518 (180deg=-1.27) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -63:sc= -7.45! USER MOD Single : A 44 MET CE :methyl 166:sc= -0.525 (180deg=-0.882) USER MOD Single : A 50 GLN : amide:sc= -3.96! K(o=-4!,f=-1.6) USER MOD Single : A 51 THR OG1 : rot 170:sc= -1.21 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.827 (180deg=-2.37!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.49 K(o=-2.5,f=-1.6) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.7!) USER MOD Single : A 105 ASN : amide:sc= -0.758! C(o=-0.76!,f=-5.3!) USER MOD Single : A 107 GLN : amide:sc= -0.0767 K(o=-0.077,f=-1.9!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 160:sc= -0.0276 (180deg=-0.271) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.116 -1.340 -16.145 1.00 0.00 N ATOM 2 CA MET A 1 -10.809 -1.529 -15.539 1.00 0.00 C ATOM 3 C MET A 1 -10.360 -0.266 -14.801 1.00 0.00 C ATOM 4 O MET A 1 -9.360 0.350 -15.169 1.00 0.00 O ATOM 5 CB MET A 1 -9.788 -1.876 -16.624 1.00 0.00 C ATOM 6 CG MET A 1 -9.674 -3.392 -16.803 1.00 0.00 C ATOM 7 SD MET A 1 -8.495 -3.767 -18.091 1.00 0.00 S ATOM 8 CE MET A 1 -8.530 -5.550 -18.033 1.00 0.00 C ATOM 0 H1 MET A 1 -12.803 -1.978 -15.695 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.421 -0.354 -16.013 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.061 -1.552 -17.162 1.00 0.00 H new ATOM 0 HA MET A 1 -10.878 -2.344 -14.819 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.083 -1.416 -17.567 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.815 -1.463 -16.358 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.362 -3.855 -15.867 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.648 -3.811 -17.057 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.845 -5.952 -18.779 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.226 -5.888 -17.042 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.541 -5.901 -18.242 1.00 0.00 H new ATOM 16 N PRO A 2 -11.140 0.092 -13.746 1.00 0.00 N ATOM 17 CA PRO A 2 -10.833 1.270 -12.954 1.00 0.00 C ATOM 18 C PRO A 2 -9.640 1.014 -12.029 1.00 0.00 C ATOM 19 O PRO A 2 -8.888 0.062 -12.230 1.00 0.00 O ATOM 20 CB PRO A 2 -12.114 1.581 -12.197 1.00 0.00 C ATOM 21 CG PRO A 2 -12.940 0.305 -12.235 1.00 0.00 C ATOM 22 CD PRO A 2 -12.330 -0.614 -13.281 1.00 0.00 C ATOM 0 HA PRO A 2 -10.531 2.120 -13.566 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.899 1.877 -11.170 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.651 2.408 -12.661 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -12.942 -0.178 -11.258 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.978 0.529 -12.482 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -12.074 -1.584 -12.855 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -13.026 -0.799 -14.099 1.00 0.00 H new ATOM 27 N VAL A 3 -9.506 1.880 -11.035 1.00 0.00 N ATOM 28 CA VAL A 3 -8.419 1.759 -10.080 1.00 0.00 C ATOM 29 C VAL A 3 -8.925 2.140 -8.687 1.00 0.00 C ATOM 30 O VAL A 3 -8.328 2.979 -8.014 1.00 0.00 O ATOM 31 CB VAL A 3 -7.226 2.604 -10.534 1.00 0.00 C ATOM 32 CG1 VAL A 3 -7.540 4.098 -10.427 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.968 2.249 -9.739 1.00 0.00 C ATOM 0 H VAL A 3 -10.132 2.668 -10.871 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.069 0.728 -10.029 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.034 2.377 -11.583 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.676 4.676 -10.755 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.397 4.336 -11.058 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -7.771 4.348 -9.392 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.136 2.864 -10.082 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.143 2.433 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.728 1.197 -9.889 1.00 0.00 H new ATOM 43 N THR A 4 -10.018 1.504 -8.295 1.00 0.00 N ATOM 44 CA THR A 4 -10.611 1.765 -6.996 1.00 0.00 C ATOM 45 C THR A 4 -9.815 1.062 -5.894 1.00 0.00 C ATOM 46 O THR A 4 -8.787 0.442 -6.166 1.00 0.00 O ATOM 47 CB THR A 4 -12.080 1.338 -7.050 1.00 0.00 C ATOM 48 OG1 THR A 4 -12.714 2.148 -6.064 1.00 0.00 O ATOM 49 CG2 THR A 4 -12.292 -0.092 -6.550 1.00 0.00 C ATOM 0 H THR A 4 -10.509 0.807 -8.855 1.00 0.00 H new ATOM 0 HA THR A 4 -10.575 2.827 -6.753 1.00 0.00 H new ATOM 0 HB THR A 4 -12.445 1.423 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.671 1.937 -6.033 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.351 -0.345 -6.609 1.00 0.00 H new ATOM 0 HG22 THR A 4 -11.719 -0.782 -7.169 1.00 0.00 H new ATOM 0 HG23 THR A 4 -11.958 -0.169 -5.515 1.00 0.00 H new ATOM 57 N GLN A 5 -10.319 1.181 -4.675 1.00 0.00 N ATOM 58 CA GLN A 5 -9.667 0.565 -3.531 1.00 0.00 C ATOM 59 C GLN A 5 -9.434 -0.924 -3.793 1.00 0.00 C ATOM 60 O GLN A 5 -8.294 -1.364 -3.931 1.00 0.00 O ATOM 61 CB GLN A 5 -10.483 0.776 -2.256 1.00 0.00 C ATOM 62 CG GLN A 5 -9.731 0.250 -1.031 1.00 0.00 C ATOM 63 CD GLN A 5 -8.730 1.285 -0.515 1.00 0.00 C ATOM 64 OE1 GLN A 5 -8.968 1.990 0.452 1.00 0.00 O ATOM 65 NE2 GLN A 5 -7.599 1.338 -1.212 1.00 0.00 N ATOM 0 H GLN A 5 -11.172 1.695 -4.454 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.699 1.045 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -10.697 1.837 -2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.442 0.266 -2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.442 0.002 -0.243 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.207 -0.670 -1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.463 0.719 -2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.867 1.997 -0.947 1.00 0.00 H new ATOM 72 N GLU A 6 -10.535 -1.661 -3.854 1.00 0.00 N ATOM 73 CA GLU A 6 -10.465 -3.091 -4.096 1.00 0.00 C ATOM 74 C GLU A 6 -9.596 -3.381 -5.321 1.00 0.00 C ATOM 75 O GLU A 6 -9.108 -4.498 -5.491 1.00 0.00 O ATOM 76 CB GLU A 6 -11.864 -3.688 -4.264 1.00 0.00 C ATOM 77 CG GLU A 6 -12.262 -4.506 -3.034 1.00 0.00 C ATOM 78 CD GLU A 6 -13.740 -4.302 -2.694 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.568 -5.183 -2.970 1.00 0.00 O ATOM 80 OE2 GLU A 6 -14.018 -3.179 -2.121 1.00 0.00 O ATOM 0 H GLU A 6 -11.480 -1.293 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 6 -10.005 -3.564 -3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.588 -2.889 -4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.889 -4.322 -5.150 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.070 -5.563 -3.218 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.646 -4.214 -2.184 1.00 0.00 H new ATOM 86 N GLU A 7 -9.427 -2.356 -6.143 1.00 0.00 N ATOM 87 CA GLU A 7 -8.625 -2.486 -7.347 1.00 0.00 C ATOM 88 C GLU A 7 -7.137 -2.511 -6.994 1.00 0.00 C ATOM 89 O GLU A 7 -6.382 -3.324 -7.524 1.00 0.00 O ATOM 90 CB GLU A 7 -8.934 -1.361 -8.337 1.00 0.00 C ATOM 91 CG GLU A 7 -9.504 -1.920 -9.643 1.00 0.00 C ATOM 92 CD GLU A 7 -10.911 -1.378 -9.904 1.00 0.00 C ATOM 93 OE1 GLU A 7 -11.107 -0.154 -9.941 1.00 0.00 O ATOM 94 OE2 GLU A 7 -11.820 -2.278 -10.072 1.00 0.00 O ATOM 0 H GLU A 7 -9.832 -1.431 -5.999 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.880 -3.430 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.647 -0.667 -7.893 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.026 -0.795 -8.545 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.849 -1.655 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.533 -3.009 -9.595 1.00 0.00 H new ATOM 100 N ILE A 8 -6.759 -1.609 -6.099 1.00 0.00 N ATOM 101 CA ILE A 8 -5.374 -1.516 -5.668 1.00 0.00 C ATOM 102 C ILE A 8 -5.177 -2.371 -4.415 1.00 0.00 C ATOM 103 O ILE A 8 -4.062 -2.494 -3.912 1.00 0.00 O ATOM 104 CB ILE A 8 -4.965 -0.053 -5.486 1.00 0.00 C ATOM 105 CG1 ILE A 8 -5.577 0.826 -6.579 1.00 0.00 C ATOM 106 CG2 ILE A 8 -3.443 0.087 -5.421 1.00 0.00 C ATOM 107 CD1 ILE A 8 -5.464 2.308 -6.216 1.00 0.00 C ATOM 0 H ILE A 8 -7.388 -0.936 -5.661 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.709 -1.914 -6.434 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.360 0.297 -4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.071 0.640 -7.526 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.625 0.561 -6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.179 1.137 -5.291 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.060 -0.490 -4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.003 -0.286 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.906 2.912 -7.009 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.992 2.495 -5.281 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.414 2.575 -6.100 1.00 0.00 H new ATOM 118 N ILE A 9 -6.279 -2.939 -3.945 1.00 0.00 N ATOM 119 CA ILE A 9 -6.240 -3.777 -2.758 1.00 0.00 C ATOM 120 C ILE A 9 -6.384 -5.243 -3.172 1.00 0.00 C ATOM 121 O ILE A 9 -5.679 -6.110 -2.655 1.00 0.00 O ATOM 122 CB ILE A 9 -7.290 -3.319 -1.745 1.00 0.00 C ATOM 123 CG1 ILE A 9 -6.999 -1.897 -1.259 1.00 0.00 C ATOM 124 CG2 ILE A 9 -7.401 -4.309 -0.584 1.00 0.00 C ATOM 125 CD1 ILE A 9 -7.562 -1.671 0.146 1.00 0.00 C ATOM 0 H ILE A 9 -7.203 -2.835 -4.364 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.279 -3.679 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.259 -3.298 -2.244 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.923 -1.723 -1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.436 -1.176 -1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -8.155 -3.959 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -7.689 -5.288 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.438 -4.386 -0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.341 -0.653 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.641 -1.822 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.105 -2.377 0.839 1.00 0.00 H new ATOM 136 N ALA A 10 -7.301 -5.477 -4.098 1.00 0.00 N ATOM 137 CA ALA A 10 -7.546 -6.823 -4.586 1.00 0.00 C ATOM 138 C ALA A 10 -6.671 -7.084 -5.814 1.00 0.00 C ATOM 139 O ALA A 10 -6.210 -8.204 -6.026 1.00 0.00 O ATOM 140 CB ALA A 10 -9.037 -6.995 -4.886 1.00 0.00 C ATOM 0 H ALA A 10 -7.884 -4.756 -4.524 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.279 -7.559 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.220 -8.005 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.613 -6.829 -3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.341 -6.273 -5.644 1.00 0.00 H new ATOM 146 N GLY A 11 -6.468 -6.030 -6.591 1.00 0.00 N ATOM 147 CA GLY A 11 -5.656 -6.129 -7.792 1.00 0.00 C ATOM 148 C GLY A 11 -4.177 -6.298 -7.440 1.00 0.00 C ATOM 149 O GLY A 11 -3.475 -7.097 -8.060 1.00 0.00 O ATOM 0 H GLY A 11 -6.852 -5.102 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.990 -6.975 -8.392 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.789 -5.234 -8.400 1.00 0.00 H new ATOM 153 N ILE A 12 -3.746 -5.532 -6.450 1.00 0.00 N ATOM 154 CA ILE A 12 -2.362 -5.586 -6.009 1.00 0.00 C ATOM 155 C ILE A 12 -2.136 -6.873 -5.211 1.00 0.00 C ATOM 156 O ILE A 12 -1.225 -7.642 -5.513 1.00 0.00 O ATOM 157 CB ILE A 12 -1.994 -4.315 -5.243 1.00 0.00 C ATOM 158 CG1 ILE A 12 -1.988 -3.098 -6.169 1.00 0.00 C ATOM 159 CG2 ILE A 12 -0.662 -4.484 -4.509 1.00 0.00 C ATOM 160 CD1 ILE A 12 -0.709 -2.278 -5.990 1.00 0.00 C ATOM 0 H ILE A 12 -4.331 -4.870 -5.940 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.690 -5.619 -6.866 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.759 -4.139 -4.487 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.072 -3.425 -7.205 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.857 -2.474 -5.960 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.423 -3.566 -3.972 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.739 -5.309 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.126 -4.698 -5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.731 -1.419 -6.660 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.640 -1.932 -4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.156 -2.898 -6.223 1.00 0.00 H new ATOM 171 N ALA A 13 -2.981 -7.066 -4.209 1.00 0.00 N ATOM 172 CA ALA A 13 -2.884 -8.246 -3.366 1.00 0.00 C ATOM 173 C ALA A 13 -2.625 -9.474 -4.242 1.00 0.00 C ATOM 174 O ALA A 13 -1.756 -10.287 -3.934 1.00 0.00 O ATOM 175 CB ALA A 13 -4.159 -8.383 -2.532 1.00 0.00 C ATOM 0 H ALA A 13 -3.736 -6.426 -3.962 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.048 -8.155 -2.672 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.087 -9.268 -1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.281 -7.499 -1.906 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.019 -8.480 -3.195 1.00 0.00 H new ATOM 181 N GLU A 14 -3.394 -9.567 -5.317 1.00 0.00 N ATOM 182 CA GLU A 14 -3.258 -10.681 -6.239 1.00 0.00 C ATOM 183 C GLU A 14 -1.825 -10.762 -6.767 1.00 0.00 C ATOM 184 O GLU A 14 -1.222 -11.834 -6.773 1.00 0.00 O ATOM 185 CB GLU A 14 -4.261 -10.566 -7.390 1.00 0.00 C ATOM 186 CG GLU A 14 -5.572 -11.275 -7.048 1.00 0.00 C ATOM 187 CD GLU A 14 -6.069 -12.108 -8.231 1.00 0.00 C ATOM 188 OE1 GLU A 14 -5.383 -13.049 -8.659 1.00 0.00 O ATOM 189 OE2 GLU A 14 -7.212 -11.749 -8.709 1.00 0.00 O ATOM 0 H GLU A 14 -4.113 -8.889 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.478 -11.602 -5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.457 -9.515 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.834 -11.000 -8.294 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.426 -11.919 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.327 -10.538 -6.774 1.00 0.00 H new ATOM 195 N ILE A 15 -1.321 -9.615 -7.196 1.00 0.00 N ATOM 196 CA ILE A 15 0.032 -9.542 -7.724 1.00 0.00 C ATOM 197 C ILE A 15 1.028 -9.879 -6.613 1.00 0.00 C ATOM 198 O ILE A 15 1.990 -10.609 -6.837 1.00 0.00 O ATOM 199 CB ILE A 15 0.277 -8.183 -8.381 1.00 0.00 C ATOM 200 CG1 ILE A 15 -0.732 -7.924 -9.500 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.723 -8.065 -8.873 1.00 0.00 C ATOM 202 CD1 ILE A 15 -0.492 -6.559 -10.150 1.00 0.00 C ATOM 0 H ILE A 15 -1.825 -8.728 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 15 0.174 -10.281 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 15 0.128 -7.408 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.654 -8.708 -10.253 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.745 -7.967 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.871 -7.090 -9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.404 -8.173 -8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.924 -8.848 -9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.223 -6.400 -10.943 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.594 -5.775 -9.399 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.513 -6.528 -10.572 1.00 0.00 H new ATOM 213 N ILE A 16 0.761 -9.328 -5.437 1.00 0.00 N ATOM 214 CA ILE A 16 1.622 -9.560 -4.290 1.00 0.00 C ATOM 215 C ILE A 16 1.801 -11.066 -4.089 1.00 0.00 C ATOM 216 O ILE A 16 2.876 -11.520 -3.698 1.00 0.00 O ATOM 217 CB ILE A 16 1.078 -8.836 -3.057 1.00 0.00 C ATOM 218 CG1 ILE A 16 1.059 -7.321 -3.274 1.00 0.00 C ATOM 219 CG2 ILE A 16 1.863 -9.224 -1.803 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.962 -6.577 -1.941 1.00 0.00 C ATOM 0 H ILE A 16 -0.039 -8.722 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 16 2.613 -9.141 -4.466 1.00 0.00 H new ATOM 0 HB ILE A 16 0.046 -9.153 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.963 -7.014 -3.801 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.214 -7.051 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.456 -8.695 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.782 -10.299 -1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.911 -8.955 -1.932 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.950 -5.503 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.045 -6.868 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.821 -6.830 -1.320 1.00 0.00 H new ATOM 231 N GLU A 17 0.732 -11.799 -4.364 1.00 0.00 N ATOM 232 CA GLU A 17 0.759 -13.244 -4.219 1.00 0.00 C ATOM 233 C GLU A 17 1.596 -13.875 -5.333 1.00 0.00 C ATOM 234 O GLU A 17 1.738 -15.096 -5.393 1.00 0.00 O ATOM 235 CB GLU A 17 -0.658 -13.820 -4.205 1.00 0.00 C ATOM 236 CG GLU A 17 -0.642 -15.309 -3.855 1.00 0.00 C ATOM 237 CD GLU A 17 -1.181 -16.151 -5.014 1.00 0.00 C ATOM 238 OE1 GLU A 17 -2.277 -15.875 -5.524 1.00 0.00 O ATOM 239 OE2 GLU A 17 -0.415 -17.122 -5.384 1.00 0.00 O ATOM 0 H GLU A 17 -0.158 -11.419 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 17 1.223 -13.484 -3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.267 -13.279 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.122 -13.677 -5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.376 -15.619 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.244 -15.483 -2.963 1.00 0.00 H new ATOM 245 N GLU A 18 2.129 -13.015 -6.188 1.00 0.00 N ATOM 246 CA GLU A 18 2.949 -13.473 -7.298 1.00 0.00 C ATOM 247 C GLU A 18 4.424 -13.174 -7.026 1.00 0.00 C ATOM 248 O GLU A 18 5.288 -14.011 -7.281 1.00 0.00 O ATOM 249 CB GLU A 18 2.494 -12.839 -8.614 1.00 0.00 C ATOM 250 CG GLU A 18 1.012 -13.119 -8.873 1.00 0.00 C ATOM 251 CD GLU A 18 0.827 -13.956 -10.140 1.00 0.00 C ATOM 252 OE1 GLU A 18 0.631 -15.177 -10.054 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.890 -13.294 -11.246 1.00 0.00 O ATOM 0 H GLU A 18 2.009 -12.003 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 18 2.829 -14.552 -7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.664 -11.763 -8.582 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.091 -13.232 -9.437 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.583 -13.644 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.472 -12.177 -8.972 1.00 0.00 H new ATOM 259 N VAL A 19 4.668 -11.976 -6.513 1.00 0.00 N ATOM 260 CA VAL A 19 6.024 -11.556 -6.204 1.00 0.00 C ATOM 261 C VAL A 19 6.406 -12.065 -4.813 1.00 0.00 C ATOM 262 O VAL A 19 7.305 -12.892 -4.676 1.00 0.00 O ATOM 263 CB VAL A 19 6.145 -10.037 -6.341 1.00 0.00 C ATOM 264 CG1 VAL A 19 7.609 -9.614 -6.482 1.00 0.00 C ATOM 265 CG2 VAL A 19 5.309 -9.524 -7.514 1.00 0.00 C ATOM 0 H VAL A 19 3.949 -11.283 -6.304 1.00 0.00 H new ATOM 0 HA VAL A 19 6.730 -11.989 -6.913 1.00 0.00 H new ATOM 0 HB VAL A 19 5.753 -9.586 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.667 -8.530 -6.578 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.166 -9.931 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.039 -10.080 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.413 -8.442 -7.589 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.656 -9.987 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.261 -9.778 -7.352 1.00 0.00 H new ATOM 275 N THR A 20 5.704 -11.547 -3.815 1.00 0.00 N ATOM 276 CA THR A 20 5.959 -11.938 -2.439 1.00 0.00 C ATOM 277 C THR A 20 5.372 -13.324 -2.161 1.00 0.00 C ATOM 278 O THR A 20 5.845 -14.035 -1.276 1.00 0.00 O ATOM 279 CB THR A 20 5.399 -10.845 -1.526 1.00 0.00 C ATOM 280 OG1 THR A 20 3.994 -10.881 -1.764 1.00 0.00 O ATOM 281 CG2 THR A 20 5.817 -9.441 -1.967 1.00 0.00 C ATOM 0 H THR A 20 4.959 -10.860 -3.932 1.00 0.00 H new ATOM 0 HA THR A 20 7.028 -12.028 -2.244 1.00 0.00 H new ATOM 0 HB THR A 20 5.736 -11.018 -0.504 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.824 -11.209 -2.672 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.393 -8.704 -1.285 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.904 -9.364 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.452 -9.253 -2.977 1.00 0.00 H new ATOM 289 N GLY A 21 4.351 -13.663 -2.933 1.00 0.00 N ATOM 290 CA GLY A 21 3.694 -14.951 -2.780 1.00 0.00 C ATOM 291 C GLY A 21 2.794 -14.964 -1.543 1.00 0.00 C ATOM 292 O GLY A 21 2.498 -16.026 -0.998 1.00 0.00 O ATOM 0 H GLY A 21 3.962 -13.070 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.101 -15.168 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.444 -15.738 -2.697 1.00 0.00 H new ATOM 296 N ILE A 22 2.384 -13.772 -1.137 1.00 0.00 N ATOM 297 CA ILE A 22 1.523 -13.633 0.026 1.00 0.00 C ATOM 298 C ILE A 22 0.065 -13.829 -0.398 1.00 0.00 C ATOM 299 O ILE A 22 -0.249 -13.794 -1.586 1.00 0.00 O ATOM 300 CB ILE A 22 1.785 -12.301 0.731 1.00 0.00 C ATOM 301 CG1 ILE A 22 3.247 -12.191 1.169 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.819 -12.100 1.900 1.00 0.00 C ATOM 303 CD1 ILE A 22 3.629 -10.736 1.447 1.00 0.00 C ATOM 0 H ILE A 22 2.632 -12.893 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 22 1.748 -14.405 0.761 1.00 0.00 H new ATOM 0 HB ILE A 22 1.601 -11.496 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.408 -12.790 2.065 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.894 -12.599 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.027 -11.146 2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.206 -12.103 1.530 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.947 -12.908 2.621 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.673 -10.687 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.490 -10.144 0.542 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.996 -10.339 2.241 1.00 0.00 H new ATOM 314 N GLU A 23 -0.785 -14.029 0.598 1.00 0.00 N ATOM 315 CA GLU A 23 -2.201 -14.229 0.344 1.00 0.00 C ATOM 316 C GLU A 23 -2.835 -12.938 -0.177 1.00 0.00 C ATOM 317 O GLU A 23 -2.357 -11.844 0.119 1.00 0.00 O ATOM 318 CB GLU A 23 -2.920 -14.724 1.601 1.00 0.00 C ATOM 319 CG GLU A 23 -3.338 -16.188 1.453 1.00 0.00 C ATOM 320 CD GLU A 23 -3.533 -16.843 2.822 1.00 0.00 C ATOM 321 OE1 GLU A 23 -3.933 -16.168 3.783 1.00 0.00 O ATOM 322 OE2 GLU A 23 -3.253 -18.101 2.869 1.00 0.00 O ATOM 0 H GLU A 23 -0.520 -14.057 1.583 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.307 -14.998 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.265 -14.615 2.466 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.800 -14.108 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.264 -16.250 0.881 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.579 -16.732 0.890 1.00 0.00 H new ATOM 328 N PRO A 24 -3.929 -13.112 -0.965 1.00 0.00 N ATOM 329 CA PRO A 24 -4.634 -11.974 -1.531 1.00 0.00 C ATOM 330 C PRO A 24 -5.471 -11.263 -0.466 1.00 0.00 C ATOM 331 O PRO A 24 -5.393 -10.044 -0.322 1.00 0.00 O ATOM 332 CB PRO A 24 -5.473 -12.551 -2.659 1.00 0.00 C ATOM 333 CG PRO A 24 -5.567 -14.044 -2.387 1.00 0.00 C ATOM 334 CD PRO A 24 -4.524 -14.393 -1.338 1.00 0.00 C ATOM 0 HA PRO A 24 -3.958 -11.206 -1.909 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.463 -12.095 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.011 -12.359 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.565 -14.306 -2.035 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.393 -14.610 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.977 -14.884 -0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.774 -15.076 -1.737 1.00 0.00 H new ATOM 339 N SER A 25 -6.253 -12.055 0.253 1.00 0.00 N ATOM 340 CA SER A 25 -7.103 -11.517 1.301 1.00 0.00 C ATOM 341 C SER A 25 -6.245 -10.977 2.446 1.00 0.00 C ATOM 342 O SER A 25 -6.687 -10.116 3.204 1.00 0.00 O ATOM 343 CB SER A 25 -8.076 -12.578 1.819 1.00 0.00 C ATOM 344 OG SER A 25 -9.419 -12.104 1.845 1.00 0.00 O ATOM 0 H SER A 25 -6.316 -13.066 0.130 1.00 0.00 H new ATOM 0 HA SER A 25 -7.689 -10.700 0.880 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.017 -13.464 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -7.780 -12.882 2.823 1.00 0.00 H new ATOM 0 HG SER A 25 -10.009 -12.811 2.180 1.00 0.00 H new ATOM 349 N GLU A 26 -5.034 -11.507 2.536 1.00 0.00 N ATOM 350 CA GLU A 26 -4.110 -11.090 3.576 1.00 0.00 C ATOM 351 C GLU A 26 -3.809 -9.595 3.451 1.00 0.00 C ATOM 352 O GLU A 26 -3.753 -8.883 4.453 1.00 0.00 O ATOM 353 CB GLU A 26 -2.822 -11.914 3.529 1.00 0.00 C ATOM 354 CG GLU A 26 -2.137 -11.939 4.897 1.00 0.00 C ATOM 355 CD GLU A 26 -1.293 -10.680 5.111 1.00 0.00 C ATOM 356 OE1 GLU A 26 -0.235 -10.529 4.482 1.00 0.00 O ATOM 357 OE2 GLU A 26 -1.774 -9.841 5.965 1.00 0.00 O ATOM 0 H GLU A 26 -4.672 -12.222 1.905 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.580 -11.267 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.049 -12.932 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.144 -11.494 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.889 -12.015 5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.504 -12.823 4.975 1.00 0.00 H new ATOM 363 N ILE A 27 -3.624 -9.163 2.212 1.00 0.00 N ATOM 364 CA ILE A 27 -3.330 -7.765 1.944 1.00 0.00 C ATOM 365 C ILE A 27 -4.530 -6.909 2.354 1.00 0.00 C ATOM 366 O ILE A 27 -5.673 -7.251 2.055 1.00 0.00 O ATOM 367 CB ILE A 27 -2.912 -7.578 0.484 1.00 0.00 C ATOM 368 CG1 ILE A 27 -1.447 -7.971 0.278 1.00 0.00 C ATOM 369 CG2 ILE A 27 -3.194 -6.150 0.012 1.00 0.00 C ATOM 370 CD1 ILE A 27 -1.060 -9.138 1.189 1.00 0.00 C ATOM 0 H ILE A 27 -3.672 -9.756 1.383 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.481 -7.432 2.541 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.514 -8.246 -0.132 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.284 -8.248 -0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.804 -7.115 0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.888 -6.044 -1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.260 -5.942 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.635 -5.446 0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.014 -9.398 1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.201 -8.849 2.230 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.688 -10.000 0.963 1.00 0.00 H new ATOM 381 N THR A 28 -4.228 -5.811 3.033 1.00 0.00 N ATOM 382 CA THR A 28 -5.266 -4.904 3.487 1.00 0.00 C ATOM 383 C THR A 28 -4.772 -3.456 3.432 1.00 0.00 C ATOM 384 O THR A 28 -3.573 -3.211 3.306 1.00 0.00 O ATOM 385 CB THR A 28 -5.700 -5.344 4.888 1.00 0.00 C ATOM 386 OG1 THR A 28 -4.506 -5.854 5.475 1.00 0.00 O ATOM 387 CG2 THR A 28 -6.645 -6.547 4.857 1.00 0.00 C ATOM 0 H THR A 28 -3.279 -5.530 3.279 1.00 0.00 H new ATOM 0 HA THR A 28 -6.137 -4.943 2.833 1.00 0.00 H new ATOM 0 HB THR A 28 -6.189 -4.513 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.695 -6.161 6.386 1.00 0.00 H new ATOM 0 HG21 THR A 28 -6.922 -6.818 5.876 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.542 -6.291 4.293 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.145 -7.390 4.380 1.00 0.00 H new ATOM 395 N PRO A 29 -5.745 -2.512 3.529 1.00 0.00 N ATOM 396 CA PRO A 29 -5.421 -1.096 3.492 1.00 0.00 C ATOM 397 C PRO A 29 -4.798 -0.641 4.812 1.00 0.00 C ATOM 398 O PRO A 29 -5.142 0.420 5.332 1.00 0.00 O ATOM 399 CB PRO A 29 -6.737 -0.400 3.184 1.00 0.00 C ATOM 400 CG PRO A 29 -7.828 -1.403 3.520 1.00 0.00 C ATOM 401 CD PRO A 29 -7.176 -2.767 3.678 1.00 0.00 C ATOM 0 HA PRO A 29 -4.672 -0.855 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.846 0.509 3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.787 -0.105 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.340 -1.116 4.438 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.579 -1.428 2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.401 -3.204 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -7.534 -3.467 2.924 1.00 0.00 H new ATOM 406 N GLU A 30 -3.893 -1.465 5.319 1.00 0.00 N ATOM 407 CA GLU A 30 -3.219 -1.161 6.569 1.00 0.00 C ATOM 408 C GLU A 30 -1.747 -1.570 6.492 1.00 0.00 C ATOM 409 O GLU A 30 -1.042 -1.555 7.499 1.00 0.00 O ATOM 410 CB GLU A 30 -3.916 -1.842 7.748 1.00 0.00 C ATOM 411 CG GLU A 30 -4.057 -3.346 7.508 1.00 0.00 C ATOM 412 CD GLU A 30 -3.326 -4.145 8.590 1.00 0.00 C ATOM 413 OE1 GLU A 30 -3.004 -3.595 9.654 1.00 0.00 O ATOM 414 OE2 GLU A 30 -3.097 -5.379 8.296 1.00 0.00 O ATOM 0 H GLU A 30 -3.611 -2.344 4.886 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.269 -0.085 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.347 -1.668 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.901 -1.400 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.112 -3.619 7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.654 -3.601 6.528 1.00 0.00 H new ATOM 420 N LYS A 31 -1.327 -1.925 5.286 1.00 0.00 N ATOM 421 CA LYS A 31 0.049 -2.339 5.065 1.00 0.00 C ATOM 422 C LYS A 31 0.972 -1.131 5.238 1.00 0.00 C ATOM 423 O LYS A 31 0.512 0.010 5.264 1.00 0.00 O ATOM 424 CB LYS A 31 0.188 -3.030 3.708 1.00 0.00 C ATOM 425 CG LYS A 31 -0.766 -4.221 3.598 1.00 0.00 C ATOM 426 CD LYS A 31 -0.022 -5.483 3.159 1.00 0.00 C ATOM 427 CE LYS A 31 -0.056 -6.549 4.256 1.00 0.00 C ATOM 428 NZ LYS A 31 1.142 -7.415 4.173 1.00 0.00 N ATOM 0 H LYS A 31 -1.915 -1.935 4.452 1.00 0.00 H new ATOM 0 HA LYS A 31 0.349 -3.080 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.021 -2.317 2.910 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.215 -3.369 3.572 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.248 -4.395 4.560 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.556 -3.993 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.474 -5.878 2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.012 -5.235 2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.100 -6.071 5.235 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.957 -7.154 4.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.336 -7.829 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.973 -8.177 3.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.959 -6.849 3.868 1.00 0.00 H new ATOM 437 N SER A 32 2.260 -1.423 5.351 1.00 0.00 N ATOM 438 CA SER A 32 3.253 -0.377 5.520 1.00 0.00 C ATOM 439 C SER A 32 4.382 -0.555 4.504 1.00 0.00 C ATOM 440 O SER A 32 5.429 0.081 4.614 1.00 0.00 O ATOM 441 CB SER A 32 3.815 -0.376 6.943 1.00 0.00 C ATOM 442 OG SER A 32 3.997 0.946 7.445 1.00 0.00 O ATOM 0 H SER A 32 2.638 -2.370 5.329 1.00 0.00 H new ATOM 0 HA SER A 32 2.768 0.584 5.348 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.139 -0.923 7.600 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.769 -0.903 6.956 1.00 0.00 H new ATOM 0 HG SER A 32 4.356 0.903 8.356 1.00 0.00 H new ATOM 447 N PHE A 33 4.131 -1.425 3.536 1.00 0.00 N ATOM 448 CA PHE A 33 5.113 -1.697 2.500 1.00 0.00 C ATOM 449 C PHE A 33 6.208 -2.634 3.014 1.00 0.00 C ATOM 450 O PHE A 33 6.802 -3.384 2.240 1.00 0.00 O ATOM 451 CB PHE A 33 5.743 -0.356 2.119 1.00 0.00 C ATOM 452 CG PHE A 33 5.931 -0.161 0.613 1.00 0.00 C ATOM 453 CD1 PHE A 33 4.865 0.151 -0.170 1.00 0.00 C ATOM 454 CD2 PHE A 33 7.165 -0.301 0.059 1.00 0.00 C ATOM 455 CE1 PHE A 33 5.040 0.331 -1.568 1.00 0.00 C ATOM 456 CE2 PHE A 33 7.340 -0.120 -1.339 1.00 0.00 C ATOM 457 CZ PHE A 33 6.274 0.191 -2.123 1.00 0.00 C ATOM 0 H PHE A 33 3.261 -1.951 3.448 1.00 0.00 H new ATOM 0 HA PHE A 33 4.632 -2.178 1.648 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.118 0.450 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.712 -0.269 2.610 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.885 0.262 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.012 -0.550 0.682 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.193 0.579 -2.191 1.00 0.00 H new ATOM 0 HE2 PHE A 33 8.320 -0.229 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.407 0.327 -3.186 1.00 0.00 H new ATOM 466 N VAL A 34 6.442 -2.560 4.316 1.00 0.00 N ATOM 467 CA VAL A 34 7.454 -3.394 4.942 1.00 0.00 C ATOM 468 C VAL A 34 6.946 -3.868 6.305 1.00 0.00 C ATOM 469 O VAL A 34 6.848 -5.070 6.551 1.00 0.00 O ATOM 470 CB VAL A 34 8.777 -2.631 5.030 1.00 0.00 C ATOM 471 CG1 VAL A 34 9.420 -2.804 6.408 1.00 0.00 C ATOM 472 CG2 VAL A 34 9.736 -3.065 3.921 1.00 0.00 C ATOM 0 H VAL A 34 5.949 -1.936 4.954 1.00 0.00 H new ATOM 0 HA VAL A 34 7.645 -4.282 4.339 1.00 0.00 H new ATOM 0 HB VAL A 34 8.561 -1.572 4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.359 -2.251 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.746 -2.423 7.175 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.614 -3.861 6.589 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.668 -2.507 4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.941 -4.131 4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 9.283 -2.866 2.950 1.00 0.00 H new ATOM 482 N ASP A 35 6.635 -2.900 7.155 1.00 0.00 N ATOM 483 CA ASP A 35 6.139 -3.205 8.487 1.00 0.00 C ATOM 484 C ASP A 35 5.190 -4.402 8.412 1.00 0.00 C ATOM 485 O ASP A 35 5.101 -5.189 9.354 1.00 0.00 O ATOM 486 CB ASP A 35 5.364 -2.022 9.070 1.00 0.00 C ATOM 487 CG ASP A 35 5.321 -1.966 10.598 1.00 0.00 C ATOM 488 OD1 ASP A 35 6.363 -1.854 11.262 1.00 0.00 O ATOM 489 OD2 ASP A 35 4.141 -2.044 11.114 1.00 0.00 O ATOM 0 H ASP A 35 6.717 -1.905 6.948 1.00 0.00 H new ATOM 0 HA ASP A 35 6.996 -3.424 9.124 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.809 -1.098 8.700 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.341 -2.056 8.694 1.00 0.00 H new ATOM 494 N ASP A 36 4.505 -4.503 7.283 1.00 0.00 N ATOM 495 CA ASP A 36 3.564 -5.591 7.073 1.00 0.00 C ATOM 496 C ASP A 36 4.161 -6.590 6.079 1.00 0.00 C ATOM 497 O ASP A 36 4.450 -7.730 6.438 1.00 0.00 O ATOM 498 CB ASP A 36 2.246 -5.076 6.490 1.00 0.00 C ATOM 499 CG ASP A 36 1.018 -5.303 7.373 1.00 0.00 C ATOM 500 OD1 ASP A 36 0.411 -4.348 7.881 1.00 0.00 O ATOM 501 OD2 ASP A 36 0.682 -6.539 7.533 1.00 0.00 O ATOM 0 H ASP A 36 4.582 -3.850 6.504 1.00 0.00 H new ATOM 0 HA ASP A 36 3.372 -6.061 8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 36 2.344 -4.008 6.297 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.078 -5.560 5.528 1.00 0.00 H new ATOM 506 N LEU A 37 4.329 -6.125 4.850 1.00 0.00 N ATOM 507 CA LEU A 37 4.886 -6.964 3.802 1.00 0.00 C ATOM 508 C LEU A 37 6.103 -7.714 4.348 1.00 0.00 C ATOM 509 O LEU A 37 6.184 -8.936 4.239 1.00 0.00 O ATOM 510 CB LEU A 37 5.187 -6.132 2.553 1.00 0.00 C ATOM 511 CG LEU A 37 3.970 -5.655 1.757 1.00 0.00 C ATOM 512 CD1 LEU A 37 4.384 -4.677 0.656 1.00 0.00 C ATOM 513 CD2 LEU A 37 3.179 -6.841 1.202 1.00 0.00 C ATOM 0 H LEU A 37 4.089 -5.178 4.556 1.00 0.00 H new ATOM 0 HA LEU A 37 4.161 -7.715 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.766 -5.258 2.853 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.821 -6.722 1.891 1.00 0.00 H new ATOM 0 HG LEU A 37 3.309 -5.115 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.501 -4.354 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.870 -3.810 1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.077 -5.169 -0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.320 -6.474 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.819 -7.429 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.834 -7.466 2.026 1.00 0.00 H new ATOM 524 N ASP A 38 7.020 -6.949 4.924 1.00 0.00 N ATOM 525 CA ASP A 38 8.229 -7.525 5.487 1.00 0.00 C ATOM 526 C ASP A 38 9.055 -8.160 4.367 1.00 0.00 C ATOM 527 O ASP A 38 9.954 -8.959 4.630 1.00 0.00 O ATOM 528 CB ASP A 38 7.895 -8.617 6.507 1.00 0.00 C ATOM 529 CG ASP A 38 8.794 -8.644 7.744 1.00 0.00 C ATOM 530 OD1 ASP A 38 9.973 -8.265 7.685 1.00 0.00 O ATOM 531 OD2 ASP A 38 8.230 -9.081 8.818 1.00 0.00 O ATOM 0 H ASP A 38 6.949 -5.935 5.013 1.00 0.00 H new ATOM 0 HA ASP A 38 8.785 -6.728 5.981 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.862 -8.487 6.830 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.955 -9.586 6.012 1.00 0.00 H new ATOM 536 N ILE A 39 8.723 -7.783 3.143 1.00 0.00 N ATOM 537 CA ILE A 39 9.423 -8.305 1.981 1.00 0.00 C ATOM 538 C ILE A 39 10.464 -7.284 1.517 1.00 0.00 C ATOM 539 O ILE A 39 11.375 -7.621 0.762 1.00 0.00 O ATOM 540 CB ILE A 39 8.428 -8.708 0.891 1.00 0.00 C ATOM 541 CG1 ILE A 39 8.940 -9.912 0.098 1.00 0.00 C ATOM 542 CG2 ILE A 39 8.098 -7.521 -0.017 1.00 0.00 C ATOM 543 CD1 ILE A 39 10.320 -9.628 -0.498 1.00 0.00 C ATOM 0 H ILE A 39 7.977 -7.121 2.929 1.00 0.00 H new ATOM 0 HA ILE A 39 9.962 -9.216 2.239 1.00 0.00 H new ATOM 0 HB ILE A 39 7.499 -9.012 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 39 8.993 -10.785 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.237 -10.152 -0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.389 -7.835 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.659 -6.719 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.011 -7.162 -0.493 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.661 -10.499 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.258 -8.770 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 39 11.025 -9.412 0.304 1.00 0.00 H new ATOM 554 N ASP A 40 10.293 -6.058 1.987 1.00 0.00 N ATOM 555 CA ASP A 40 11.207 -4.986 1.630 1.00 0.00 C ATOM 556 C ASP A 40 10.740 -4.337 0.326 1.00 0.00 C ATOM 557 O ASP A 40 9.639 -4.614 -0.151 1.00 0.00 O ATOM 558 CB ASP A 40 12.624 -5.520 1.410 1.00 0.00 C ATOM 559 CG ASP A 40 13.745 -4.528 1.726 1.00 0.00 C ATOM 560 OD1 ASP A 40 13.772 -3.916 2.805 1.00 0.00 O ATOM 561 OD2 ASP A 40 14.630 -4.390 0.796 1.00 0.00 O ATOM 0 H ASP A 40 9.535 -5.782 2.612 1.00 0.00 H new ATOM 0 HA ASP A 40 11.216 -4.265 2.447 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.761 -6.408 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 40 12.720 -5.835 0.371 1.00 0.00 H new ATOM 566 N SER A 41 11.598 -3.485 -0.215 1.00 0.00 N ATOM 567 CA SER A 41 11.286 -2.795 -1.455 1.00 0.00 C ATOM 568 C SER A 41 11.736 -3.637 -2.651 1.00 0.00 C ATOM 569 O SER A 41 11.649 -3.193 -3.795 1.00 0.00 O ATOM 570 CB SER A 41 11.947 -1.415 -1.499 1.00 0.00 C ATOM 571 OG SER A 41 13.319 -1.493 -1.876 1.00 0.00 O ATOM 0 H SER A 41 12.509 -3.257 0.183 1.00 0.00 H new ATOM 0 HA SER A 41 10.206 -2.653 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.413 -0.779 -2.205 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.866 -0.943 -0.520 1.00 0.00 H new ATOM 0 HG SER A 41 13.705 -0.592 -1.894 1.00 0.00 H new ATOM 576 N LEU A 42 12.207 -4.837 -2.345 1.00 0.00 N ATOM 577 CA LEU A 42 12.671 -5.745 -3.380 1.00 0.00 C ATOM 578 C LEU A 42 11.470 -6.252 -4.182 1.00 0.00 C ATOM 579 O LEU A 42 11.314 -5.914 -5.354 1.00 0.00 O ATOM 580 CB LEU A 42 13.520 -6.862 -2.771 1.00 0.00 C ATOM 581 CG LEU A 42 15.009 -6.838 -3.120 1.00 0.00 C ATOM 582 CD1 LEU A 42 15.839 -6.307 -1.950 1.00 0.00 C ATOM 583 CD2 LEU A 42 15.486 -8.217 -3.582 1.00 0.00 C ATOM 0 H LEU A 42 12.277 -5.202 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 42 13.325 -5.225 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.420 -6.817 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.108 -7.819 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 42 15.153 -6.151 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.894 -6.301 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.521 -5.293 -1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 42 15.695 -6.949 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.548 -8.172 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.326 -8.943 -2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 42 14.925 -8.519 -4.466 1.00 0.00 H new ATOM 594 N SER A 43 10.652 -7.055 -3.517 1.00 0.00 N ATOM 595 CA SER A 43 9.471 -7.612 -4.154 1.00 0.00 C ATOM 596 C SER A 43 8.495 -6.492 -4.517 1.00 0.00 C ATOM 597 O SER A 43 7.977 -6.452 -5.632 1.00 0.00 O ATOM 598 CB SER A 43 8.788 -8.638 -3.246 1.00 0.00 C ATOM 599 OG SER A 43 7.726 -9.316 -3.911 1.00 0.00 O ATOM 0 H SER A 43 10.784 -7.333 -2.544 1.00 0.00 H new ATOM 0 HA SER A 43 9.782 -8.123 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.524 -9.365 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.399 -8.136 -2.360 1.00 0.00 H new ATOM 0 HG SER A 43 7.029 -8.672 -4.155 1.00 0.00 H new ATOM 604 N MET A 44 8.271 -5.609 -3.554 1.00 0.00 N ATOM 605 CA MET A 44 7.366 -4.492 -3.759 1.00 0.00 C ATOM 606 C MET A 44 7.642 -3.800 -5.096 1.00 0.00 C ATOM 607 O MET A 44 6.715 -3.355 -5.771 1.00 0.00 O ATOM 608 CB MET A 44 7.533 -3.484 -2.619 1.00 0.00 C ATOM 609 CG MET A 44 6.548 -3.774 -1.483 1.00 0.00 C ATOM 610 SD MET A 44 5.149 -2.670 -1.592 1.00 0.00 S ATOM 611 CE MET A 44 4.171 -3.531 -2.814 1.00 0.00 C ATOM 0 H MET A 44 8.701 -5.645 -2.630 1.00 0.00 H new ATOM 0 HA MET A 44 6.345 -4.874 -3.773 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.554 -3.524 -2.239 1.00 0.00 H new ATOM 0 HB3 MET A 44 7.373 -2.474 -2.995 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.210 -4.809 -1.539 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.044 -3.652 -0.520 1.00 0.00 H new ATOM 0 HE1 MET A 44 3.160 -3.123 -2.824 1.00 0.00 H new ATOM 0 HE2 MET A 44 4.624 -3.404 -3.797 1.00 0.00 H new ATOM 0 HE3 MET A 44 4.132 -4.592 -2.567 1.00 0.00 H new ATOM 619 N VAL A 45 8.920 -3.732 -5.437 1.00 0.00 N ATOM 620 CA VAL A 45 9.330 -3.102 -6.681 1.00 0.00 C ATOM 621 C VAL A 45 8.699 -3.850 -7.858 1.00 0.00 C ATOM 622 O VAL A 45 8.362 -3.245 -8.874 1.00 0.00 O ATOM 623 CB VAL A 45 10.857 -3.042 -6.759 1.00 0.00 C ATOM 624 CG1 VAL A 45 11.330 -3.022 -8.214 1.00 0.00 C ATOM 625 CG2 VAL A 45 11.398 -1.836 -5.990 1.00 0.00 C ATOM 0 H VAL A 45 9.686 -4.103 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 45 8.976 -2.072 -6.723 1.00 0.00 H new ATOM 0 HB VAL A 45 11.253 -3.943 -6.290 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.419 -2.979 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.989 -3.925 -8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.919 -2.147 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 45 12.485 -1.817 -6.061 1.00 0.00 H new ATOM 0 HG22 VAL A 45 10.990 -0.920 -6.417 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.104 -1.911 -4.943 1.00 0.00 H new ATOM 635 N GLU A 46 8.560 -5.156 -7.681 1.00 0.00 N ATOM 636 CA GLU A 46 7.976 -5.993 -8.716 1.00 0.00 C ATOM 637 C GLU A 46 6.467 -5.757 -8.801 1.00 0.00 C ATOM 638 O GLU A 46 5.941 -5.456 -9.871 1.00 0.00 O ATOM 639 CB GLU A 46 8.288 -7.470 -8.466 1.00 0.00 C ATOM 640 CG GLU A 46 9.049 -8.077 -9.645 1.00 0.00 C ATOM 641 CD GLU A 46 10.555 -7.845 -9.503 1.00 0.00 C ATOM 642 OE1 GLU A 46 10.986 -6.710 -9.253 1.00 0.00 O ATOM 643 OE2 GLU A 46 11.286 -8.896 -9.662 1.00 0.00 O ATOM 0 H GLU A 46 8.841 -5.655 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 46 8.420 -5.719 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.879 -7.571 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.360 -8.019 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.846 -9.146 -9.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.696 -7.635 -10.577 1.00 0.00 H new ATOM 649 N ILE A 47 5.812 -5.902 -7.658 1.00 0.00 N ATOM 650 CA ILE A 47 4.373 -5.708 -7.590 1.00 0.00 C ATOM 651 C ILE A 47 3.995 -4.451 -8.376 1.00 0.00 C ATOM 652 O ILE A 47 2.989 -4.436 -9.083 1.00 0.00 O ATOM 653 CB ILE A 47 3.904 -5.688 -6.134 1.00 0.00 C ATOM 654 CG1 ILE A 47 3.807 -7.107 -5.569 1.00 0.00 C ATOM 655 CG2 ILE A 47 2.585 -4.924 -5.993 1.00 0.00 C ATOM 656 CD1 ILE A 47 4.396 -7.177 -4.159 1.00 0.00 C ATOM 0 H ILE A 47 6.251 -6.151 -6.772 1.00 0.00 H new ATOM 0 HA ILE A 47 3.853 -6.544 -8.057 1.00 0.00 H new ATOM 0 HB ILE A 47 4.649 -5.156 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.764 -7.423 -5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.337 -7.800 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.274 -4.925 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.722 -3.896 -6.330 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.819 -5.406 -6.600 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.314 -8.196 -3.781 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.445 -6.884 -4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.848 -6.501 -3.502 1.00 0.00 H new ATOM 667 N ALA A 48 4.821 -3.427 -8.225 1.00 0.00 N ATOM 668 CA ALA A 48 4.585 -2.167 -8.911 1.00 0.00 C ATOM 669 C ALA A 48 4.894 -2.338 -10.400 1.00 0.00 C ATOM 670 O ALA A 48 4.079 -1.982 -11.251 1.00 0.00 O ATOM 671 CB ALA A 48 5.428 -1.067 -8.263 1.00 0.00 C ATOM 0 H ALA A 48 5.655 -3.443 -7.638 1.00 0.00 H new ATOM 0 HA ALA A 48 3.540 -1.871 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.251 -0.122 -8.777 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.150 -0.966 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.484 -1.327 -8.336 1.00 0.00 H new ATOM 677 N VAL A 49 6.071 -2.883 -10.669 1.00 0.00 N ATOM 678 CA VAL A 49 6.496 -3.105 -12.041 1.00 0.00 C ATOM 679 C VAL A 49 5.357 -3.763 -12.823 1.00 0.00 C ATOM 680 O VAL A 49 5.274 -3.621 -14.042 1.00 0.00 O ATOM 681 CB VAL A 49 7.788 -3.926 -12.062 1.00 0.00 C ATOM 682 CG1 VAL A 49 7.496 -5.398 -12.358 1.00 0.00 C ATOM 683 CG2 VAL A 49 8.785 -3.350 -13.069 1.00 0.00 C ATOM 0 H VAL A 49 6.744 -3.177 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 49 6.721 -2.157 -12.530 1.00 0.00 H new ATOM 0 HB VAL A 49 8.240 -3.868 -11.072 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.430 -5.960 -12.367 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.838 -5.801 -11.588 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.011 -5.484 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.694 -3.951 -13.065 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.345 -3.365 -14.066 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.027 -2.323 -12.795 1.00 0.00 H new ATOM 693 N GLN A 50 4.508 -4.468 -12.090 1.00 0.00 N ATOM 694 CA GLN A 50 3.378 -5.147 -12.701 1.00 0.00 C ATOM 695 C GLN A 50 2.164 -4.216 -12.754 1.00 0.00 C ATOM 696 O GLN A 50 1.651 -3.922 -13.832 1.00 0.00 O ATOM 697 CB GLN A 50 3.046 -6.439 -11.951 1.00 0.00 C ATOM 698 CG GLN A 50 4.248 -7.385 -11.928 1.00 0.00 C ATOM 699 CD GLN A 50 3.844 -8.773 -11.428 1.00 0.00 C ATOM 700 OE1 GLN A 50 3.285 -9.584 -12.149 1.00 0.00 O ATOM 701 NE2 GLN A 50 4.155 -9.001 -10.155 1.00 0.00 N ATOM 0 H GLN A 50 4.580 -4.584 -11.079 1.00 0.00 H new ATOM 0 HA GLN A 50 3.649 -5.416 -13.722 1.00 0.00 H new ATOM 0 HB2 GLN A 50 2.745 -6.204 -10.930 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.199 -6.933 -12.428 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.672 -7.464 -12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.026 -6.975 -11.284 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.623 -8.279 -9.607 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.926 -9.898 -9.727 1.00 0.00 H new ATOM 708 N THR A 51 1.742 -3.779 -11.577 1.00 0.00 N ATOM 709 CA THR A 51 0.599 -2.887 -11.476 1.00 0.00 C ATOM 710 C THR A 51 0.776 -1.687 -12.408 1.00 0.00 C ATOM 711 O THR A 51 -0.185 -1.228 -13.023 1.00 0.00 O ATOM 712 CB THR A 51 0.432 -2.497 -10.006 1.00 0.00 C ATOM 713 OG1 THR A 51 -0.245 -3.609 -9.427 1.00 0.00 O ATOM 714 CG2 THR A 51 -0.539 -1.331 -9.818 1.00 0.00 C ATOM 0 H THR A 51 2.171 -4.026 -10.685 1.00 0.00 H new ATOM 0 HA THR A 51 -0.317 -3.379 -11.802 1.00 0.00 H new ATOM 0 HB THR A 51 1.403 -2.232 -9.587 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.252 -3.516 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.622 -1.094 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.169 -0.459 -10.357 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.519 -1.608 -10.206 1.00 0.00 H new ATOM 722 N GLU A 52 2.011 -1.213 -12.482 1.00 0.00 N ATOM 723 CA GLU A 52 2.325 -0.075 -13.330 1.00 0.00 C ATOM 724 C GLU A 52 2.351 -0.497 -14.799 1.00 0.00 C ATOM 725 O GLU A 52 2.573 0.329 -15.683 1.00 0.00 O ATOM 726 CB GLU A 52 3.654 0.563 -12.919 1.00 0.00 C ATOM 727 CG GLU A 52 3.469 1.491 -11.716 1.00 0.00 C ATOM 728 CD GLU A 52 3.988 0.837 -10.434 1.00 0.00 C ATOM 729 OE1 GLU A 52 5.205 0.804 -10.204 1.00 0.00 O ATOM 730 OE2 GLU A 52 3.075 0.353 -9.661 1.00 0.00 O ATOM 0 H GLU A 52 2.805 -1.596 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 52 1.544 0.674 -13.203 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.375 -0.217 -12.674 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.066 1.126 -13.757 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.998 2.428 -11.890 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.413 1.737 -11.601 1.00 0.00 H new ATOM 736 N ASP A 53 2.120 -1.784 -15.017 1.00 0.00 N ATOM 737 CA ASP A 53 2.113 -2.325 -16.365 1.00 0.00 C ATOM 738 C ASP A 53 0.725 -2.887 -16.678 1.00 0.00 C ATOM 739 O ASP A 53 0.042 -2.399 -17.576 1.00 0.00 O ATOM 740 CB ASP A 53 3.126 -3.464 -16.505 1.00 0.00 C ATOM 741 CG ASP A 53 4.045 -3.365 -17.724 1.00 0.00 C ATOM 742 OD1 ASP A 53 3.608 -3.550 -18.870 1.00 0.00 O ATOM 743 OD2 ASP A 53 5.274 -3.082 -17.459 1.00 0.00 O ATOM 0 H ASP A 53 1.936 -2.467 -14.282 1.00 0.00 H new ATOM 0 HA ASP A 53 2.375 -1.521 -17.053 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.742 -3.495 -15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.584 -4.408 -16.553 1.00 0.00 H new ATOM 748 N LYS A 54 0.348 -3.905 -15.918 1.00 0.00 N ATOM 749 CA LYS A 54 -0.947 -4.538 -16.102 1.00 0.00 C ATOM 750 C LYS A 54 -2.024 -3.458 -16.227 1.00 0.00 C ATOM 751 O LYS A 54 -2.919 -3.562 -17.064 1.00 0.00 O ATOM 752 CB LYS A 54 -1.214 -5.547 -14.984 1.00 0.00 C ATOM 753 CG LYS A 54 -0.787 -6.956 -15.405 1.00 0.00 C ATOM 754 CD LYS A 54 -0.832 -7.918 -14.217 1.00 0.00 C ATOM 755 CE LYS A 54 0.144 -9.080 -14.416 1.00 0.00 C ATOM 756 NZ LYS A 54 -0.292 -10.263 -13.640 1.00 0.00 N ATOM 0 H LYS A 54 0.917 -4.307 -15.173 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.962 -5.113 -17.028 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.672 -5.252 -14.085 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.274 -5.544 -14.732 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.444 -7.318 -16.196 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.222 -6.927 -15.816 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.583 -7.382 -13.301 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.844 -8.305 -14.096 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.205 -9.334 -15.474 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.144 -8.780 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.381 -11.042 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.327 -10.021 -12.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.237 -10.558 -13.958 1.00 0.00 H new ATOM 765 N TYR A 55 -1.903 -2.446 -15.380 1.00 0.00 N ATOM 766 CA TYR A 55 -2.855 -1.349 -15.384 1.00 0.00 C ATOM 767 C TYR A 55 -2.258 -0.107 -16.051 1.00 0.00 C ATOM 768 O TYR A 55 -2.886 0.497 -16.920 1.00 0.00 O ATOM 769 CB TYR A 55 -3.143 -1.034 -13.914 1.00 0.00 C ATOM 770 CG TYR A 55 -4.492 -1.558 -13.419 1.00 0.00 C ATOM 771 CD1 TYR A 55 -5.663 -1.080 -13.972 1.00 0.00 C ATOM 772 CD2 TYR A 55 -4.539 -2.508 -12.419 1.00 0.00 C ATOM 773 CE1 TYR A 55 -6.933 -1.573 -13.505 1.00 0.00 C ATOM 774 CE2 TYR A 55 -5.809 -3.000 -11.952 1.00 0.00 C ATOM 775 CZ TYR A 55 -6.943 -2.509 -12.518 1.00 0.00 C ATOM 776 OH TYR A 55 -8.142 -2.974 -12.078 1.00 0.00 O ATOM 0 H TYR A 55 -1.160 -2.363 -14.686 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.753 -1.623 -15.937 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.351 -1.462 -13.299 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.110 0.046 -13.771 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.627 -0.337 -14.755 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.623 -2.882 -11.987 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.857 -1.208 -13.929 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.859 -3.743 -11.169 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.996 -3.638 -11.372 1.00 0.00 H new ATOM 785 N GLY A 56 -1.054 0.236 -15.620 1.00 0.00 N ATOM 786 CA GLY A 56 -0.366 1.394 -16.164 1.00 0.00 C ATOM 787 C GLY A 56 -0.403 2.566 -15.182 1.00 0.00 C ATOM 788 O GLY A 56 -0.198 3.714 -15.572 1.00 0.00 O ATOM 0 H GLY A 56 -0.537 -0.268 -14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.669 1.135 -16.387 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.831 1.689 -17.105 1.00 0.00 H new ATOM 792 N VAL A 57 -0.667 2.236 -13.926 1.00 0.00 N ATOM 793 CA VAL A 57 -0.734 3.247 -12.885 1.00 0.00 C ATOM 794 C VAL A 57 0.592 4.009 -12.834 1.00 0.00 C ATOM 795 O VAL A 57 1.624 3.494 -13.258 1.00 0.00 O ATOM 796 CB VAL A 57 -1.102 2.599 -11.548 1.00 0.00 C ATOM 797 CG1 VAL A 57 -2.222 1.572 -11.728 1.00 0.00 C ATOM 798 CG2 VAL A 57 0.125 1.964 -10.891 1.00 0.00 C ATOM 0 H VAL A 57 -0.837 1.283 -13.606 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.518 3.971 -13.107 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.469 3.382 -10.884 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.465 1.126 -10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.106 2.065 -12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.894 0.793 -12.416 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.164 1.511 -9.943 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.535 1.198 -11.549 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.879 2.730 -10.712 1.00 0.00 H new ATOM 808 N LYS A 58 0.519 5.225 -12.313 1.00 0.00 N ATOM 809 CA LYS A 58 1.701 6.063 -12.201 1.00 0.00 C ATOM 810 C LYS A 58 2.262 5.960 -10.782 1.00 0.00 C ATOM 811 O LYS A 58 1.746 6.588 -9.859 1.00 0.00 O ATOM 812 CB LYS A 58 1.384 7.496 -12.635 1.00 0.00 C ATOM 813 CG LYS A 58 0.323 8.121 -11.726 1.00 0.00 C ATOM 814 CD LYS A 58 -0.778 8.792 -12.550 1.00 0.00 C ATOM 815 CE LYS A 58 -1.690 7.749 -13.198 1.00 0.00 C ATOM 816 NZ LYS A 58 -1.210 7.411 -14.555 1.00 0.00 N ATOM 0 H LYS A 58 -0.340 5.650 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 58 2.481 5.714 -12.878 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.292 8.098 -12.607 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.032 7.498 -13.666 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.113 7.352 -11.088 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.789 8.855 -11.069 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.368 9.448 -11.910 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.330 9.418 -13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.719 6.850 -12.582 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.709 8.132 -13.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.024 7.277 -15.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.615 8.184 -14.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.652 6.534 -14.518 1.00 0.00 H new ATOM 825 N ILE A 59 3.312 5.162 -10.652 1.00 0.00 N ATOM 826 CA ILE A 59 3.949 4.969 -9.360 1.00 0.00 C ATOM 827 C ILE A 59 5.438 4.682 -9.568 1.00 0.00 C ATOM 828 O ILE A 59 5.895 3.562 -9.345 1.00 0.00 O ATOM 829 CB ILE A 59 3.221 3.886 -8.560 1.00 0.00 C ATOM 830 CG1 ILE A 59 1.804 4.335 -8.197 1.00 0.00 C ATOM 831 CG2 ILE A 59 4.028 3.480 -7.325 1.00 0.00 C ATOM 832 CD1 ILE A 59 1.109 3.295 -7.314 1.00 0.00 C ATOM 0 H ILE A 59 3.737 4.642 -11.420 1.00 0.00 H new ATOM 0 HA ILE A 59 3.879 5.877 -8.762 1.00 0.00 H new ATOM 0 HB ILE A 59 3.128 3.000 -9.188 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.844 5.292 -7.676 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.224 4.491 -9.106 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.488 2.709 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.998 3.092 -7.636 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.174 4.349 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.104 3.638 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.049 2.346 -7.847 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.679 3.159 -6.395 1.00 0.00 H new ATOM 843 N PRO A 60 6.172 5.740 -10.005 1.00 0.00 N ATOM 844 CA PRO A 60 7.599 5.613 -10.246 1.00 0.00 C ATOM 845 C PRO A 60 8.376 5.574 -8.929 1.00 0.00 C ATOM 846 O PRO A 60 7.817 5.845 -7.866 1.00 0.00 O ATOM 847 CB PRO A 60 7.959 6.808 -11.113 1.00 0.00 C ATOM 848 CG PRO A 60 6.825 7.806 -10.940 1.00 0.00 C ATOM 849 CD PRO A 60 5.664 7.081 -10.280 1.00 0.00 C ATOM 0 HA PRO A 60 7.860 4.681 -10.747 1.00 0.00 H new ATOM 0 HB2 PRO A 60 8.911 7.241 -10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 60 8.065 6.515 -12.157 1.00 0.00 H new ATOM 0 HG2 PRO A 60 7.147 8.648 -10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 60 6.523 8.212 -11.905 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.354 7.583 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 60 4.794 7.048 -10.936 1.00 0.00 H new ATOM 854 N ASP A 61 9.652 5.234 -9.041 1.00 0.00 N ATOM 855 CA ASP A 61 10.510 5.155 -7.871 1.00 0.00 C ATOM 856 C ASP A 61 10.435 6.473 -7.099 1.00 0.00 C ATOM 857 O ASP A 61 10.388 6.474 -5.870 1.00 0.00 O ATOM 858 CB ASP A 61 11.969 4.927 -8.275 1.00 0.00 C ATOM 859 CG ASP A 61 12.491 3.509 -8.036 1.00 0.00 C ATOM 860 OD1 ASP A 61 12.553 3.035 -6.891 1.00 0.00 O ATOM 861 OD2 ASP A 61 12.849 2.873 -9.100 1.00 0.00 O ATOM 0 H ASP A 61 10.112 5.010 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 61 10.169 4.321 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 61 12.079 5.165 -9.333 1.00 0.00 H new ATOM 0 HB3 ASP A 61 12.597 5.627 -7.724 1.00 0.00 H new ATOM 866 N GLU A 62 10.423 7.564 -7.851 1.00 0.00 N ATOM 867 CA GLU A 62 10.354 8.886 -7.252 1.00 0.00 C ATOM 868 C GLU A 62 9.170 8.969 -6.286 1.00 0.00 C ATOM 869 O GLU A 62 9.135 9.838 -5.416 1.00 0.00 O ATOM 870 CB GLU A 62 10.261 9.971 -8.328 1.00 0.00 C ATOM 871 CG GLU A 62 10.526 11.355 -7.734 1.00 0.00 C ATOM 872 CD GLU A 62 11.255 12.252 -8.736 1.00 0.00 C ATOM 873 OE1 GLU A 62 10.826 12.365 -9.893 1.00 0.00 O ATOM 874 OE2 GLU A 62 12.304 12.844 -8.275 1.00 0.00 O ATOM 0 H GLU A 62 10.460 7.559 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 62 11.271 9.057 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.982 9.767 -9.119 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.272 9.951 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.582 11.818 -7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.123 11.257 -6.827 1.00 0.00 H new ATOM 880 N ASP A 63 8.231 8.053 -6.471 1.00 0.00 N ATOM 881 CA ASP A 63 7.049 8.012 -5.627 1.00 0.00 C ATOM 882 C ASP A 63 7.074 6.734 -4.784 1.00 0.00 C ATOM 883 O ASP A 63 6.616 6.730 -3.643 1.00 0.00 O ATOM 884 CB ASP A 63 5.771 8.000 -6.467 1.00 0.00 C ATOM 885 CG ASP A 63 4.915 9.262 -6.360 1.00 0.00 C ATOM 886 OD1 ASP A 63 5.296 10.238 -5.697 1.00 0.00 O ATOM 887 OD2 ASP A 63 3.796 9.219 -7.002 1.00 0.00 O ATOM 0 H ASP A 63 8.265 7.333 -7.193 1.00 0.00 H new ATOM 0 HA ASP A 63 7.055 8.900 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.043 7.851 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.167 7.143 -6.169 1.00 0.00 H new ATOM 892 N LEU A 64 7.614 5.682 -5.380 1.00 0.00 N ATOM 893 CA LEU A 64 7.704 4.401 -4.699 1.00 0.00 C ATOM 894 C LEU A 64 8.555 4.557 -3.438 1.00 0.00 C ATOM 895 O LEU A 64 8.538 3.693 -2.562 1.00 0.00 O ATOM 896 CB LEU A 64 8.214 3.321 -5.655 1.00 0.00 C ATOM 897 CG LEU A 64 7.745 1.893 -5.366 1.00 0.00 C ATOM 898 CD1 LEU A 64 8.590 1.252 -4.263 1.00 0.00 C ATOM 899 CD2 LEU A 64 6.252 1.863 -5.035 1.00 0.00 C ATOM 0 H LEU A 64 7.994 5.690 -6.327 1.00 0.00 H new ATOM 0 HA LEU A 64 6.716 4.070 -4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.907 3.585 -6.667 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.304 3.335 -5.639 1.00 0.00 H new ATOM 0 HG LEU A 64 7.887 1.297 -6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.236 0.238 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.634 1.221 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.503 1.840 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.944 0.837 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.062 2.478 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.684 2.253 -5.880 1.00 0.00 H new ATOM 910 N ALA A 65 9.278 5.667 -3.384 1.00 0.00 N ATOM 911 CA ALA A 65 10.134 5.948 -2.244 1.00 0.00 C ATOM 912 C ALA A 65 9.281 6.485 -1.093 1.00 0.00 C ATOM 913 O ALA A 65 9.521 6.155 0.068 1.00 0.00 O ATOM 914 CB ALA A 65 11.235 6.926 -2.661 1.00 0.00 C ATOM 0 H ALA A 65 9.288 6.382 -4.111 1.00 0.00 H new ATOM 0 HA ALA A 65 10.622 5.038 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.877 7.137 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 65 11.829 6.485 -3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.784 7.853 -3.013 1.00 0.00 H new ATOM 920 N GLY A 66 8.305 7.304 -1.454 1.00 0.00 N ATOM 921 CA GLY A 66 7.416 7.890 -0.465 1.00 0.00 C ATOM 922 C GLY A 66 6.344 6.890 -0.029 1.00 0.00 C ATOM 923 O GLY A 66 6.052 6.764 1.159 1.00 0.00 O ATOM 0 H GLY A 66 8.110 7.576 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.993 8.211 0.402 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.941 8.779 -0.879 1.00 0.00 H new ATOM 927 N LEU A 67 5.786 6.203 -1.016 1.00 0.00 N ATOM 928 CA LEU A 67 4.752 5.216 -0.750 1.00 0.00 C ATOM 929 C LEU A 67 5.110 4.437 0.517 1.00 0.00 C ATOM 930 O LEU A 67 6.052 3.646 0.518 1.00 0.00 O ATOM 931 CB LEU A 67 4.530 4.329 -1.975 1.00 0.00 C ATOM 932 CG LEU A 67 3.943 5.021 -3.208 1.00 0.00 C ATOM 933 CD1 LEU A 67 3.363 3.998 -4.186 1.00 0.00 C ATOM 934 CD2 LEU A 67 2.912 6.078 -2.805 1.00 0.00 C ATOM 0 H LEU A 67 6.030 6.310 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 67 3.797 5.706 -0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.485 3.883 -2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.867 3.512 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 67 4.750 5.540 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.952 4.516 -5.053 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.150 3.317 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.572 3.432 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.511 6.554 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.102 5.603 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.389 6.830 -2.176 1.00 0.00 H new ATOM 945 N ARG A 68 4.341 4.688 1.566 1.00 0.00 N ATOM 946 CA ARG A 68 4.566 4.021 2.836 1.00 0.00 C ATOM 947 C ARG A 68 3.514 2.931 3.056 1.00 0.00 C ATOM 948 O ARG A 68 3.824 1.860 3.577 1.00 0.00 O ATOM 949 CB ARG A 68 4.511 5.014 3.999 1.00 0.00 C ATOM 950 CG ARG A 68 5.875 5.135 4.681 1.00 0.00 C ATOM 951 CD ARG A 68 5.749 4.956 6.195 1.00 0.00 C ATOM 952 NE ARG A 68 4.967 6.072 6.773 1.00 0.00 N ATOM 953 CZ ARG A 68 4.943 6.379 8.087 1.00 0.00 C ATOM 954 NH1 ARG A 68 5.659 5.653 8.974 1.00 0.00 N ATOM 955 NH2 ARG A 68 4.210 7.398 8.494 1.00 0.00 N ATOM 0 H ARG A 68 3.561 5.345 1.562 1.00 0.00 H new ATOM 0 HA ARG A 68 5.559 3.573 2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.195 5.991 3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.765 4.689 4.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.555 4.384 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.310 6.110 4.461 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.263 4.006 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.739 4.921 6.649 1.00 0.00 H new ATOM 0 HE ARG A 68 4.411 6.645 6.138 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.223 4.866 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.635 5.892 9.965 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.672 7.941 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.181 7.643 9.484 1.00 0.00 H new ATOM 964 N THR A 69 2.292 3.241 2.649 1.00 0.00 N ATOM 965 CA THR A 69 1.193 2.302 2.795 1.00 0.00 C ATOM 966 C THR A 69 0.353 2.261 1.517 1.00 0.00 C ATOM 967 O THR A 69 0.578 3.046 0.597 1.00 0.00 O ATOM 968 CB THR A 69 0.393 2.701 4.037 1.00 0.00 C ATOM 969 OG1 THR A 69 0.045 4.063 3.803 1.00 0.00 O ATOM 970 CG2 THR A 69 1.255 2.747 5.300 1.00 0.00 C ATOM 0 H THR A 69 2.039 4.130 2.218 1.00 0.00 H new ATOM 0 HA THR A 69 1.557 1.285 2.939 1.00 0.00 H new ATOM 0 HB THR A 69 -0.426 1.996 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.478 4.402 4.560 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.638 3.035 6.151 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.687 1.763 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.055 3.476 5.168 1.00 0.00 H new ATOM 978 N VAL A 70 -0.598 1.338 1.502 1.00 0.00 N ATOM 979 CA VAL A 70 -1.472 1.185 0.352 1.00 0.00 C ATOM 980 C VAL A 70 -2.169 2.516 0.065 1.00 0.00 C ATOM 981 O VAL A 70 -2.179 2.984 -1.073 1.00 0.00 O ATOM 982 CB VAL A 70 -2.454 0.036 0.591 1.00 0.00 C ATOM 983 CG1 VAL A 70 -3.153 -0.367 -0.709 1.00 0.00 C ATOM 984 CG2 VAL A 70 -1.750 -1.163 1.229 1.00 0.00 C ATOM 0 H VAL A 70 -0.782 0.689 2.267 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.894 0.923 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.216 0.386 1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.845 -1.185 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.703 0.486 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.409 -0.689 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.470 -1.965 1.388 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.957 -1.513 0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.320 -0.866 2.186 1.00 0.00 H new ATOM 994 N GLY A 71 -2.734 3.090 1.117 1.00 0.00 N ATOM 995 CA GLY A 71 -3.432 4.359 0.993 1.00 0.00 C ATOM 996 C GLY A 71 -2.577 5.384 0.244 1.00 0.00 C ATOM 997 O GLY A 71 -3.095 6.177 -0.540 1.00 0.00 O ATOM 0 H GLY A 71 -2.723 2.700 2.059 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.374 4.210 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.679 4.741 1.984 1.00 0.00 H new ATOM 1001 N ASP A 72 -1.280 5.334 0.512 1.00 0.00 N ATOM 1002 CA ASP A 72 -0.348 6.248 -0.125 1.00 0.00 C ATOM 1003 C ASP A 72 0.005 5.719 -1.517 1.00 0.00 C ATOM 1004 O ASP A 72 0.350 6.493 -2.410 1.00 0.00 O ATOM 1005 CB ASP A 72 0.949 6.363 0.680 1.00 0.00 C ATOM 1006 CG ASP A 72 1.573 7.760 0.702 1.00 0.00 C ATOM 1007 OD1 ASP A 72 2.777 7.925 0.455 1.00 0.00 O ATOM 1008 OD2 ASP A 72 0.758 8.717 0.993 1.00 0.00 O ATOM 0 H ASP A 72 -0.853 4.674 1.162 1.00 0.00 H new ATOM 0 HA ASP A 72 -0.823 7.227 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.751 6.053 1.706 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.677 5.662 0.270 1.00 0.00 H new ATOM 1013 N VAL A 73 -0.093 4.406 -1.659 1.00 0.00 N ATOM 1014 CA VAL A 73 0.211 3.766 -2.927 1.00 0.00 C ATOM 1015 C VAL A 73 -1.012 3.845 -3.841 1.00 0.00 C ATOM 1016 O VAL A 73 -0.914 3.595 -5.041 1.00 0.00 O ATOM 1017 CB VAL A 73 0.688 2.331 -2.689 1.00 0.00 C ATOM 1018 CG1 VAL A 73 1.160 1.685 -3.993 1.00 0.00 C ATOM 1019 CG2 VAL A 73 1.788 2.289 -1.626 1.00 0.00 C ATOM 0 H VAL A 73 -0.379 3.768 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 73 1.026 4.286 -3.430 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.159 1.754 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.493 0.666 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.337 1.665 -4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.986 2.263 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.109 1.258 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.636 2.889 -1.956 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.403 2.690 -0.688 1.00 0.00 H new ATOM 1029 N VAL A 74 -2.139 4.195 -3.238 1.00 0.00 N ATOM 1030 CA VAL A 74 -3.382 4.309 -3.983 1.00 0.00 C ATOM 1031 C VAL A 74 -3.610 5.774 -4.363 1.00 0.00 C ATOM 1032 O VAL A 74 -3.826 6.089 -5.532 1.00 0.00 O ATOM 1033 CB VAL A 74 -4.535 3.717 -3.171 1.00 0.00 C ATOM 1034 CG1 VAL A 74 -5.872 3.924 -3.885 1.00 0.00 C ATOM 1035 CG2 VAL A 74 -4.295 2.235 -2.878 1.00 0.00 C ATOM 0 H VAL A 74 -2.218 4.403 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.326 3.736 -4.909 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.578 4.245 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.675 3.494 -3.286 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.051 4.991 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.844 3.435 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.130 1.839 -2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.212 1.687 -3.817 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.373 2.121 -2.309 1.00 0.00 H new ATOM 1045 N ALA A 75 -3.553 6.630 -3.353 1.00 0.00 N ATOM 1046 CA ALA A 75 -3.751 8.054 -3.568 1.00 0.00 C ATOM 1047 C ALA A 75 -2.820 8.531 -4.683 1.00 0.00 C ATOM 1048 O ALA A 75 -3.272 9.108 -5.670 1.00 0.00 O ATOM 1049 CB ALA A 75 -3.520 8.804 -2.255 1.00 0.00 C ATOM 0 H ALA A 75 -3.373 6.365 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.774 8.256 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.668 9.872 -2.415 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.225 8.448 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.502 8.627 -1.909 1.00 0.00 H new ATOM 1055 N TYR A 76 -1.535 8.273 -4.489 1.00 0.00 N ATOM 1056 CA TYR A 76 -0.536 8.670 -5.466 1.00 0.00 C ATOM 1057 C TYR A 76 -1.022 8.394 -6.891 1.00 0.00 C ATOM 1058 O TYR A 76 -0.562 9.025 -7.841 1.00 0.00 O ATOM 1059 CB TYR A 76 0.696 7.806 -5.185 1.00 0.00 C ATOM 1060 CG TYR A 76 1.753 8.493 -4.319 1.00 0.00 C ATOM 1061 CD1 TYR A 76 1.366 9.333 -3.296 1.00 0.00 C ATOM 1062 CD2 TYR A 76 3.093 8.273 -4.563 1.00 0.00 C ATOM 1063 CE1 TYR A 76 2.362 9.980 -2.480 1.00 0.00 C ATOM 1064 CE2 TYR A 76 4.089 8.920 -3.747 1.00 0.00 C ATOM 1065 CZ TYR A 76 3.675 9.742 -2.747 1.00 0.00 C ATOM 1066 OH TYR A 76 4.614 10.353 -1.976 1.00 0.00 O ATOM 0 H TYR A 76 -1.163 7.794 -3.669 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.326 9.737 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.378 6.887 -4.692 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.149 7.518 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.317 9.506 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.395 7.616 -5.365 1.00 0.00 H new ATOM 0 HE1 TYR A 76 2.073 10.639 -1.675 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.141 8.755 -3.926 1.00 0.00 H new ATOM 0 HH TYR A 76 5.508 10.090 -2.280 1.00 0.00 H new ATOM 1075 N ILE A 77 -1.948 7.451 -6.993 1.00 0.00 N ATOM 1076 CA ILE A 77 -2.503 7.084 -8.285 1.00 0.00 C ATOM 1077 C ILE A 77 -3.611 8.071 -8.658 1.00 0.00 C ATOM 1078 O ILE A 77 -3.443 8.886 -9.563 1.00 0.00 O ATOM 1079 CB ILE A 77 -2.956 5.623 -8.278 1.00 0.00 C ATOM 1080 CG1 ILE A 77 -1.956 4.743 -7.526 1.00 0.00 C ATOM 1081 CG2 ILE A 77 -3.204 5.120 -9.702 1.00 0.00 C ATOM 1082 CD1 ILE A 77 -2.299 3.260 -7.689 1.00 0.00 C ATOM 0 H ILE A 77 -2.328 6.930 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.741 7.153 -9.061 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.904 5.561 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.949 4.930 -7.899 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.958 5.006 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.525 4.079 -9.669 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.980 5.724 -10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.284 5.198 -10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.573 2.657 -7.145 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.297 3.072 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.272 2.994 -8.746 1.00 0.00 H new ATOM 1093 N GLN A 78 -4.721 7.962 -7.942 1.00 0.00 N ATOM 1094 CA GLN A 78 -5.857 8.834 -8.185 1.00 0.00 C ATOM 1095 C GLN A 78 -5.468 10.294 -7.942 1.00 0.00 C ATOM 1096 O GLN A 78 -5.686 11.149 -8.798 1.00 0.00 O ATOM 1097 CB GLN A 78 -7.052 8.433 -7.318 1.00 0.00 C ATOM 1098 CG GLN A 78 -7.439 6.973 -7.560 1.00 0.00 C ATOM 1099 CD GLN A 78 -8.102 6.369 -6.320 1.00 0.00 C ATOM 1100 OE1 GLN A 78 -8.312 7.026 -5.314 1.00 0.00 O ATOM 1101 NE2 GLN A 78 -8.416 5.083 -6.447 1.00 0.00 N ATOM 0 H GLN A 78 -4.857 7.283 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.155 8.727 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.808 8.579 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.901 9.080 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.120 6.909 -8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.552 6.396 -7.820 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.212 4.592 -7.317 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -8.860 4.588 -5.674 1.00 0.00 H new ATOM 1108 N LYS A 79 -4.900 10.533 -6.769 1.00 0.00 N ATOM 1109 CA LYS A 79 -4.479 11.874 -6.401 1.00 0.00 C ATOM 1110 C LYS A 79 -3.863 12.564 -7.622 1.00 0.00 C ATOM 1111 O LYS A 79 -4.274 13.662 -7.992 1.00 0.00 O ATOM 1112 CB LYS A 79 -3.550 11.831 -5.187 1.00 0.00 C ATOM 1113 CG LYS A 79 -4.243 11.177 -3.990 1.00 0.00 C ATOM 1114 CD LYS A 79 -5.493 11.962 -3.583 1.00 0.00 C ATOM 1115 CE LYS A 79 -6.744 11.086 -3.672 1.00 0.00 C ATOM 1116 NZ LYS A 79 -7.029 10.732 -5.081 1.00 0.00 N ATOM 0 H LYS A 79 -4.722 9.821 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.338 12.471 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.646 11.276 -5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.241 12.843 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.518 10.152 -4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.552 11.125 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.377 12.335 -2.565 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.607 12.832 -4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.603 10.179 -3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.596 11.614 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.986 10.331 -5.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.967 11.585 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.335 10.031 -5.410 1.00 0.00 H new ATOM 1125 N LEU A 80 -2.889 11.888 -8.213 1.00 0.00 N ATOM 1126 CA LEU A 80 -2.212 12.422 -9.383 1.00 0.00 C ATOM 1127 C LEU A 80 -3.238 12.666 -10.492 1.00 0.00 C ATOM 1128 O LEU A 80 -3.184 13.685 -11.178 1.00 0.00 O ATOM 1129 CB LEU A 80 -1.061 11.505 -9.802 1.00 0.00 C ATOM 1130 CG LEU A 80 0.326 12.150 -9.853 1.00 0.00 C ATOM 1131 CD1 LEU A 80 0.403 13.195 -10.967 1.00 0.00 C ATOM 1132 CD2 LEU A 80 0.709 12.733 -8.492 1.00 0.00 C ATOM 0 H LEU A 80 -2.552 10.976 -7.904 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.754 13.384 -9.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.023 10.663 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.287 11.098 -10.788 1.00 0.00 H new ATOM 0 HG LEU A 80 1.056 11.375 -10.088 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.399 13.638 -10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.203 12.719 -11.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.338 13.974 -10.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.699 13.185 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.019 13.491 -8.203 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.720 11.938 -7.746 1.00 0.00 H new ATOM 1143 N GLU A 81 -4.147 11.712 -10.634 1.00 0.00 N ATOM 1144 CA GLU A 81 -5.183 11.811 -11.648 1.00 0.00 C ATOM 1145 C GLU A 81 -6.000 13.089 -11.449 1.00 0.00 C ATOM 1146 O GLU A 81 -6.241 13.830 -12.401 1.00 0.00 O ATOM 1147 CB GLU A 81 -6.085 10.575 -11.633 1.00 0.00 C ATOM 1148 CG GLU A 81 -5.725 9.619 -12.772 1.00 0.00 C ATOM 1149 CD GLU A 81 -6.949 9.316 -13.639 1.00 0.00 C ATOM 1150 OE1 GLU A 81 -7.946 8.776 -13.136 1.00 0.00 O ATOM 1151 OE2 GLU A 81 -6.840 9.662 -14.877 1.00 0.00 O ATOM 0 H GLU A 81 -4.187 10.867 -10.064 1.00 0.00 H new ATOM 0 HA GLU A 81 -4.704 11.858 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.987 10.061 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.127 10.880 -11.725 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.939 10.059 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.327 8.691 -12.361 1.00 0.00 H new ATOM 1157 N GLU A 82 -6.404 13.308 -10.207 1.00 0.00 N ATOM 1158 CA GLU A 82 -7.189 14.483 -9.871 1.00 0.00 C ATOM 1159 C GLU A 82 -6.397 15.402 -8.939 1.00 0.00 C ATOM 1160 O GLU A 82 -5.484 16.099 -9.377 1.00 0.00 O ATOM 1161 CB GLU A 82 -8.528 14.087 -9.244 1.00 0.00 C ATOM 1162 CG GLU A 82 -8.371 12.861 -8.344 1.00 0.00 C ATOM 1163 CD GLU A 82 -9.528 12.758 -7.349 1.00 0.00 C ATOM 1164 OE1 GLU A 82 -9.787 13.710 -6.599 1.00 0.00 O ATOM 1165 OE2 GLU A 82 -10.170 11.639 -7.374 1.00 0.00 O ATOM 0 H GLU A 82 -6.202 12.691 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 82 -7.403 15.028 -10.790 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -8.922 14.921 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.253 13.875 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -8.332 11.960 -8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.426 12.921 -7.803 1.00 0.00 H new ATOM 1171 N GLU A 83 -6.778 15.374 -7.669 1.00 0.00 N ATOM 1172 CA GLU A 83 -6.114 16.196 -6.672 1.00 0.00 C ATOM 1173 C GLU A 83 -6.385 15.650 -5.269 1.00 0.00 C ATOM 1174 O GLU A 83 -5.538 14.973 -4.687 1.00 0.00 O ATOM 1175 CB GLU A 83 -6.552 17.657 -6.785 1.00 0.00 C ATOM 1176 CG GLU A 83 -6.142 18.248 -8.135 1.00 0.00 C ATOM 1177 CD GLU A 83 -6.284 19.772 -8.132 1.00 0.00 C ATOM 1178 OE1 GLU A 83 -5.555 20.462 -7.404 1.00 0.00 O ATOM 1179 OE2 GLU A 83 -7.192 20.236 -8.923 1.00 0.00 O ATOM 0 H GLU A 83 -7.537 14.796 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.040 16.158 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.633 17.727 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.105 18.238 -5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.110 17.976 -8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.761 17.823 -8.925 1.00 0.00 H new ATOM 1185 N ASN A 84 -7.570 15.962 -4.765 1.00 0.00 N ATOM 1186 CA ASN A 84 -7.963 15.512 -3.441 1.00 0.00 C ATOM 1187 C ASN A 84 -6.985 16.070 -2.405 1.00 0.00 C ATOM 1188 O ASN A 84 -6.330 15.310 -1.694 1.00 0.00 O ATOM 1189 CB ASN A 84 -7.931 13.985 -3.348 1.00 0.00 C ATOM 1190 CG ASN A 84 -9.120 13.461 -2.539 1.00 0.00 C ATOM 1191 OD1 ASN A 84 -10.270 13.578 -2.928 1.00 0.00 O ATOM 1192 ND2 ASN A 84 -8.779 12.877 -1.394 1.00 0.00 N ATOM 0 H ASN A 84 -8.271 16.522 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.977 15.864 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.950 13.555 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.999 13.665 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.500 12.494 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.797 12.812 -1.127 1.00 0.00 H new ATOM 1198 N PRO A 85 -6.915 17.427 -2.353 1.00 0.00 N ATOM 1199 CA PRO A 85 -6.028 18.095 -1.417 1.00 0.00 C ATOM 1200 C PRO A 85 -6.587 18.034 0.007 1.00 0.00 C ATOM 1201 O PRO A 85 -6.717 19.061 0.671 1.00 0.00 O ATOM 1202 CB PRO A 85 -5.898 19.515 -1.943 1.00 0.00 C ATOM 1203 CG PRO A 85 -7.074 19.721 -2.883 1.00 0.00 C ATOM 1204 CD PRO A 85 -7.676 18.358 -3.181 1.00 0.00 C ATOM 0 HA PRO A 85 -5.050 17.618 -1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -5.919 20.237 -1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.951 19.653 -2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.817 20.375 -2.427 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.747 20.203 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -8.737 18.331 -2.934 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.589 18.109 -4.239 1.00 0.00 H new ATOM 1209 N GLU A 86 -6.901 16.819 0.433 1.00 0.00 N ATOM 1210 CA GLU A 86 -7.443 16.611 1.765 1.00 0.00 C ATOM 1211 C GLU A 86 -6.870 15.332 2.377 1.00 0.00 C ATOM 1212 O GLU A 86 -6.163 15.382 3.383 1.00 0.00 O ATOM 1213 CB GLU A 86 -8.972 16.567 1.735 1.00 0.00 C ATOM 1214 CG GLU A 86 -9.554 16.755 3.137 1.00 0.00 C ATOM 1215 CD GLU A 86 -10.565 17.904 3.163 1.00 0.00 C ATOM 1216 OE1 GLU A 86 -10.173 19.076 3.065 1.00 0.00 O ATOM 1217 OE2 GLU A 86 -11.797 17.544 3.287 1.00 0.00 O ATOM 0 H GLU A 86 -6.790 15.969 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.149 17.454 2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -9.349 17.347 1.073 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -9.304 15.613 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -10.038 15.833 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.750 16.958 3.844 1.00 0.00 H new ATOM 1223 N ALA A 87 -7.197 14.213 1.745 1.00 0.00 N ATOM 1224 CA ALA A 87 -6.724 12.923 2.215 1.00 0.00 C ATOM 1225 C ALA A 87 -7.212 11.829 1.264 1.00 0.00 C ATOM 1226 O ALA A 87 -8.380 11.812 0.879 1.00 0.00 O ATOM 1227 CB ALA A 87 -7.194 12.698 3.654 1.00 0.00 C ATOM 0 H ALA A 87 -7.784 14.174 0.912 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.634 12.893 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.838 11.729 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.796 13.485 4.294 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -8.283 12.719 3.688 1.00 0.00 H new ATOM 1233 N ALA A 88 -6.293 10.941 0.913 1.00 0.00 N ATOM 1234 CA ALA A 88 -6.616 9.845 0.014 1.00 0.00 C ATOM 1235 C ALA A 88 -7.857 9.116 0.532 1.00 0.00 C ATOM 1236 O ALA A 88 -8.449 9.522 1.530 1.00 0.00 O ATOM 1237 CB ALA A 88 -5.406 8.918 -0.116 1.00 0.00 C ATOM 0 H ALA A 88 -5.325 10.958 1.235 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.847 10.221 -0.983 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.648 8.096 -0.790 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.560 9.478 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -5.147 8.519 0.864 1.00 0.00 H new ATOM 1243 N GLN A 89 -8.214 8.051 -0.171 1.00 0.00 N ATOM 1244 CA GLN A 89 -9.374 7.260 0.205 1.00 0.00 C ATOM 1245 C GLN A 89 -8.966 6.144 1.170 1.00 0.00 C ATOM 1246 O GLN A 89 -8.248 5.221 0.788 1.00 0.00 O ATOM 1247 CB GLN A 89 -10.073 6.689 -1.030 1.00 0.00 C ATOM 1248 CG GLN A 89 -9.062 6.046 -1.983 1.00 0.00 C ATOM 1249 CD GLN A 89 -9.587 4.712 -2.519 1.00 0.00 C ATOM 1250 OE1 GLN A 89 -10.640 4.631 -3.129 1.00 0.00 O ATOM 1251 NE2 GLN A 89 -8.795 3.675 -2.259 1.00 0.00 N ATOM 0 H GLN A 89 -7.720 7.717 -0.999 1.00 0.00 H new ATOM 0 HA GLN A 89 -10.084 7.912 0.714 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -10.812 5.949 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.612 7.483 -1.547 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.859 6.722 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.117 5.887 -1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.926 3.814 -1.743 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.057 2.741 -2.576 1.00 0.00 H new ATOM 1258 N ALA A 90 -9.441 6.268 2.401 1.00 0.00 N ATOM 1259 CA ALA A 90 -9.135 5.281 3.422 1.00 0.00 C ATOM 1260 C ALA A 90 -9.424 5.876 4.802 1.00 0.00 C ATOM 1261 O ALA A 90 -9.741 5.148 5.741 1.00 0.00 O ATOM 1262 CB ALA A 90 -7.680 4.827 3.275 1.00 0.00 C ATOM 0 H ALA A 90 -10.035 7.036 2.714 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.764 4.399 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.451 4.086 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.534 4.386 2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.018 5.685 3.390 1.00 0.00 H new ATOM 1268 N LEU A 91 -9.303 7.193 4.881 1.00 0.00 N ATOM 1269 CA LEU A 91 -9.547 7.894 6.130 1.00 0.00 C ATOM 1270 C LEU A 91 -10.954 8.493 6.106 1.00 0.00 C ATOM 1271 O LEU A 91 -11.114 9.713 6.110 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.445 8.921 6.392 1.00 0.00 C ATOM 1273 CG LEU A 91 -7.949 9.699 5.170 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.036 8.832 4.302 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -9.121 10.275 4.373 1.00 0.00 C ATOM 0 H LEU A 91 -9.039 7.793 4.100 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.510 7.201 6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.810 9.636 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.595 8.406 6.840 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.354 10.542 5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.698 9.408 3.441 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.173 8.513 4.887 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.585 7.955 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.740 10.823 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.763 9.463 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.695 10.950 5.007 1.00 0.00 H new ATOM 1286 N ARG A 92 -11.939 7.608 6.084 1.00 0.00 N ATOM 1287 CA ARG A 92 -13.328 8.035 6.059 1.00 0.00 C ATOM 1288 C ARG A 92 -13.837 8.267 7.484 1.00 0.00 C ATOM 1289 O ARG A 92 -14.957 7.884 7.817 1.00 0.00 O ATOM 1290 CB ARG A 92 -14.214 6.992 5.374 1.00 0.00 C ATOM 1291 CG ARG A 92 -14.267 5.698 6.188 1.00 0.00 C ATOM 1292 CD ARG A 92 -14.634 4.506 5.300 1.00 0.00 C ATOM 1293 NE ARG A 92 -13.451 3.637 5.108 1.00 0.00 N ATOM 1294 CZ ARG A 92 -13.406 2.603 4.241 1.00 0.00 C ATOM 1295 NH1 ARG A 92 -14.478 2.300 3.478 1.00 0.00 N ATOM 1296 NH2 ARG A 92 -12.297 1.892 4.152 1.00 0.00 N ATOM 0 H ARG A 92 -11.803 6.597 6.083 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.378 8.966 5.494 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -15.221 7.390 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -13.830 6.782 4.376 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.300 5.521 6.659 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -14.999 5.798 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -15.444 3.937 5.757 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -14.997 4.859 4.335 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.619 3.831 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.331 2.854 3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.435 1.517 2.826 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.492 2.127 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.245 1.107 3.502 1.00 0.00 H new ATOM 1305 N ALA A 93 -12.989 8.895 8.286 1.00 0.00 N ATOM 1306 CA ALA A 93 -13.338 9.182 9.667 1.00 0.00 C ATOM 1307 C ALA A 93 -12.521 10.381 10.155 1.00 0.00 C ATOM 1308 O ALA A 93 -13.085 11.411 10.524 1.00 0.00 O ATOM 1309 CB ALA A 93 -13.110 7.936 10.522 1.00 0.00 C ATOM 0 H ALA A 93 -12.061 9.213 8.006 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.393 9.444 9.749 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.372 8.152 11.558 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -13.734 7.122 10.152 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.061 7.644 10.467 1.00 0.00 H new ATOM 1315 N LYS A 94 -11.208 10.208 10.141 1.00 0.00 N ATOM 1316 CA LYS A 94 -10.310 11.263 10.578 1.00 0.00 C ATOM 1317 C LYS A 94 -9.105 11.322 9.636 1.00 0.00 C ATOM 1318 O LYS A 94 -8.448 10.310 9.398 1.00 0.00 O ATOM 1319 CB LYS A 94 -9.933 11.071 12.048 1.00 0.00 C ATOM 1320 CG LYS A 94 -11.170 11.145 12.945 1.00 0.00 C ATOM 1321 CD LYS A 94 -10.856 11.876 14.253 1.00 0.00 C ATOM 1322 CE LYS A 94 -11.921 11.588 15.311 1.00 0.00 C ATOM 1323 NZ LYS A 94 -11.526 10.430 16.143 1.00 0.00 N ATOM 0 H LYS A 94 -10.744 9.353 9.834 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.805 12.232 10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -9.442 10.107 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.217 11.836 12.346 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.974 11.661 12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -11.526 10.138 13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.879 11.565 14.622 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.801 12.949 14.070 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -12.062 12.466 15.942 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.877 11.387 14.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.261 10.248 16.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.415 9.591 15.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.625 10.636 16.619 1.00 0.00 H new ATOM 1332 N ILE A 95 -8.850 12.519 9.128 1.00 0.00 N ATOM 1333 CA ILE A 95 -7.735 12.723 8.218 1.00 0.00 C ATOM 1334 C ILE A 95 -6.428 12.382 8.935 1.00 0.00 C ATOM 1335 O ILE A 95 -5.651 11.556 8.459 1.00 0.00 O ATOM 1336 CB ILE A 95 -7.769 14.139 7.640 1.00 0.00 C ATOM 1337 CG1 ILE A 95 -8.773 14.240 6.492 1.00 0.00 C ATOM 1338 CG2 ILE A 95 -6.369 14.592 7.218 1.00 0.00 C ATOM 1339 CD1 ILE A 95 -10.206 14.319 7.021 1.00 0.00 C ATOM 0 H ILE A 95 -9.396 13.357 9.329 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.813 12.052 7.362 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.107 14.819 8.423 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -8.555 15.122 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -8.671 13.374 5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.421 15.602 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.707 14.584 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.981 13.914 6.458 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -10.900 14.390 6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.429 13.424 7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -10.312 15.199 7.655 1.00 0.00 H new ATOM 1350 N GLU A 96 -6.224 13.036 10.070 1.00 0.00 N ATOM 1351 CA GLU A 96 -5.025 12.812 10.858 1.00 0.00 C ATOM 1352 C GLU A 96 -5.097 11.455 11.562 1.00 0.00 C ATOM 1353 O GLU A 96 -4.137 10.686 11.536 1.00 0.00 O ATOM 1354 CB GLU A 96 -4.812 13.943 11.867 1.00 0.00 C ATOM 1355 CG GLU A 96 -3.383 14.483 11.791 1.00 0.00 C ATOM 1356 CD GLU A 96 -2.989 15.176 13.097 1.00 0.00 C ATOM 1357 OE1 GLU A 96 -3.269 14.652 14.186 1.00 0.00 O ATOM 1358 OE2 GLU A 96 -2.371 16.299 12.954 1.00 0.00 O ATOM 0 H GLU A 96 -6.870 13.721 10.462 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.168 12.804 10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.520 14.748 11.671 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.014 13.579 12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -2.692 13.665 11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.300 15.186 10.962 1.00 0.00 H new ATOM 1364 N SER A 97 -6.244 11.203 12.175 1.00 0.00 N ATOM 1365 CA SER A 97 -6.454 9.953 12.885 1.00 0.00 C ATOM 1366 C SER A 97 -6.956 8.880 11.918 1.00 0.00 C ATOM 1367 O SER A 97 -8.075 8.387 12.058 1.00 0.00 O ATOM 1368 CB SER A 97 -7.445 10.134 14.037 1.00 0.00 C ATOM 1369 OG SER A 97 -6.785 10.428 15.266 1.00 0.00 O ATOM 0 H SER A 97 -7.038 11.843 12.195 1.00 0.00 H new ATOM 0 HA SER A 97 -5.501 9.635 13.307 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.139 10.940 13.796 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.038 9.227 14.152 1.00 0.00 H new ATOM 0 HG SER A 97 -7.451 10.538 15.977 1.00 0.00 H new ATOM 1374 N GLU A 98 -6.105 8.549 10.958 1.00 0.00 N ATOM 1375 CA GLU A 98 -6.449 7.543 9.967 1.00 0.00 C ATOM 1376 C GLU A 98 -6.939 6.267 10.654 1.00 0.00 C ATOM 1377 O GLU A 98 -6.307 5.781 11.590 1.00 0.00 O ATOM 1378 CB GLU A 98 -5.260 7.250 9.049 1.00 0.00 C ATOM 1379 CG GLU A 98 -5.053 8.382 8.041 1.00 0.00 C ATOM 1380 CD GLU A 98 -4.728 7.827 6.653 1.00 0.00 C ATOM 1381 OE1 GLU A 98 -5.437 6.939 6.158 1.00 0.00 O ATOM 1382 OE2 GLU A 98 -3.697 8.354 6.082 1.00 0.00 O ATOM 0 H GLU A 98 -5.178 8.959 10.845 1.00 0.00 H new ATOM 0 HA GLU A 98 -7.257 7.932 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -4.358 7.121 9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.428 6.312 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.952 8.997 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.243 9.029 8.377 1.00 0.00 H new ATOM 1388 N ASN A 99 -8.060 5.761 10.162 1.00 0.00 N ATOM 1389 CA ASN A 99 -8.643 4.551 10.717 1.00 0.00 C ATOM 1390 C ASN A 99 -9.848 4.136 9.870 1.00 0.00 C ATOM 1391 O ASN A 99 -10.837 4.863 9.795 1.00 0.00 O ATOM 1392 CB ASN A 99 -9.127 4.780 12.150 1.00 0.00 C ATOM 1393 CG ASN A 99 -9.215 3.460 12.916 1.00 0.00 C ATOM 1394 OD1 ASN A 99 -10.240 2.798 12.949 1.00 0.00 O ATOM 1395 ND2 ASN A 99 -8.086 3.113 13.529 1.00 0.00 N ATOM 0 H ASN A 99 -8.581 6.167 9.385 1.00 0.00 H new ATOM 0 HA ASN A 99 -7.877 3.776 10.716 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.446 5.458 12.664 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.105 5.262 12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.043 2.247 14.067 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.264 3.713 13.461 1.00 0.00 H new ATOM 1401 N PRO A 100 -9.722 2.938 9.240 1.00 0.00 N ATOM 1402 CA PRO A 100 -10.789 2.417 8.402 1.00 0.00 C ATOM 1403 C PRO A 100 -11.945 1.887 9.253 1.00 0.00 C ATOM 1404 O PRO A 100 -12.146 0.677 9.349 1.00 0.00 O ATOM 1405 CB PRO A 100 -10.133 1.340 7.553 1.00 0.00 C ATOM 1406 CG PRO A 100 -8.841 0.977 8.267 1.00 0.00 C ATOM 1407 CD PRO A 100 -8.564 2.051 9.306 1.00 0.00 C ATOM 0 HA PRO A 100 -11.240 3.183 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -10.783 0.470 7.455 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.933 1.704 6.545 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -8.929 0.000 8.742 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.017 0.912 7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.452 1.620 10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -7.641 2.587 9.085 1.00 0.00 H new ATOM 1412 N ASP A 101 -12.674 2.818 9.849 1.00 0.00 N ATOM 1413 CA ASP A 101 -13.805 2.459 10.689 1.00 0.00 C ATOM 1414 C ASP A 101 -15.079 3.080 10.115 1.00 0.00 C ATOM 1415 O ASP A 101 -16.020 2.368 9.769 1.00 0.00 O ATOM 1416 CB ASP A 101 -13.621 2.986 12.113 1.00 0.00 C ATOM 1417 CG ASP A 101 -14.764 2.659 13.076 1.00 0.00 C ATOM 1418 OD1 ASP A 101 -15.799 2.104 12.675 1.00 0.00 O ATOM 1419 OD2 ASP A 101 -14.560 3.000 14.303 1.00 0.00 O ATOM 0 H ASP A 101 -12.504 3.820 9.767 1.00 0.00 H new ATOM 0 HA ASP A 101 -13.876 1.372 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -12.696 2.577 12.519 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -13.500 4.068 12.071 1.00 0.00 H new ATOM 1424 N ALA A 102 -15.068 4.403 10.029 1.00 0.00 N ATOM 1425 CA ALA A 102 -16.211 5.128 9.502 1.00 0.00 C ATOM 1426 C ALA A 102 -17.254 5.302 10.609 1.00 0.00 C ATOM 1427 O ALA A 102 -18.448 5.131 10.372 1.00 0.00 O ATOM 1428 CB ALA A 102 -16.769 4.388 8.286 1.00 0.00 C ATOM 0 H ALA A 102 -14.285 4.991 10.316 1.00 0.00 H new ATOM 0 HA ALA A 102 -15.914 6.123 9.170 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -17.627 4.932 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -15.999 4.317 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -17.080 3.386 8.581 1.00 0.00 H new ATOM 1434 N VAL A 103 -16.763 5.640 11.792 1.00 0.00 N ATOM 1435 CA VAL A 103 -17.638 5.838 12.935 1.00 0.00 C ATOM 1436 C VAL A 103 -16.991 6.836 13.898 1.00 0.00 C ATOM 1437 O VAL A 103 -15.798 7.116 13.800 1.00 0.00 O ATOM 1438 CB VAL A 103 -17.954 4.493 13.592 1.00 0.00 C ATOM 1439 CG1 VAL A 103 -19.025 4.650 14.673 1.00 0.00 C ATOM 1440 CG2 VAL A 103 -18.378 3.460 12.546 1.00 0.00 C ATOM 0 H VAL A 103 -15.771 5.782 11.984 1.00 0.00 H new ATOM 0 HA VAL A 103 -18.591 6.261 12.618 1.00 0.00 H new ATOM 0 HB VAL A 103 -17.045 4.131 14.072 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -19.231 3.680 15.124 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -18.670 5.339 15.440 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -19.938 5.044 14.226 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -18.597 2.513 13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -19.268 3.813 12.026 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.571 3.317 11.827 1.00 0.00 H new ATOM 1450 N ALA A 104 -17.808 7.345 14.810 1.00 0.00 N ATOM 1451 CA ALA A 104 -17.332 8.305 15.790 1.00 0.00 C ATOM 1452 C ALA A 104 -18.463 8.638 16.764 1.00 0.00 C ATOM 1453 O ALA A 104 -18.328 8.434 17.970 1.00 0.00 O ATOM 1454 CB ALA A 104 -16.798 9.546 15.071 1.00 0.00 C ATOM 0 H ALA A 104 -18.797 7.110 14.890 1.00 0.00 H new ATOM 0 HA ALA A 104 -16.511 7.885 16.371 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -16.441 10.267 15.806 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -15.977 9.260 14.414 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -17.596 9.996 14.480 1.00 0.00 H new ATOM 1460 N ASN A 105 -19.553 9.143 16.205 1.00 0.00 N ATOM 1461 CA ASN A 105 -20.707 9.505 17.009 1.00 0.00 C ATOM 1462 C ASN A 105 -20.300 10.574 18.027 1.00 0.00 C ATOM 1463 O ASN A 105 -19.131 10.670 18.397 1.00 0.00 O ATOM 1464 CB ASN A 105 -21.242 8.297 17.782 1.00 0.00 C ATOM 1465 CG ASN A 105 -22.273 8.728 18.826 1.00 0.00 C ATOM 1466 OD1 ASN A 105 -23.085 9.613 18.609 1.00 0.00 O ATOM 1467 ND2 ASN A 105 -22.198 8.053 19.971 1.00 0.00 N ATOM 0 H ASN A 105 -19.661 9.310 15.205 1.00 0.00 H new ATOM 0 HA ASN A 105 -21.482 9.876 16.338 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -21.695 7.589 17.089 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -20.417 7.780 18.272 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -22.844 8.265 20.731 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -21.495 7.324 20.088 1.00 0.00 H new ATOM 1473 N VAL A 106 -21.286 11.349 18.450 1.00 0.00 N ATOM 1474 CA VAL A 106 -21.045 12.406 19.418 1.00 0.00 C ATOM 1475 C VAL A 106 -22.285 12.580 20.297 1.00 0.00 C ATOM 1476 O VAL A 106 -23.014 11.620 20.544 1.00 0.00 O ATOM 1477 CB VAL A 106 -20.639 13.693 18.697 1.00 0.00 C ATOM 1478 CG1 VAL A 106 -21.870 14.455 18.200 1.00 0.00 C ATOM 1479 CG2 VAL A 106 -19.774 14.577 19.596 1.00 0.00 C ATOM 0 H VAL A 106 -22.254 11.267 18.141 1.00 0.00 H new ATOM 0 HA VAL A 106 -20.216 12.141 20.074 1.00 0.00 H new ATOM 0 HB VAL A 106 -20.043 13.415 17.828 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -21.553 15.366 17.691 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -22.431 13.828 17.507 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -22.504 14.715 19.048 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -19.500 15.485 19.058 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -20.334 14.842 20.493 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -18.871 14.036 19.878 1.00 0.00 H new ATOM 1489 N GLN A 107 -22.486 13.810 20.746 1.00 0.00 N ATOM 1490 CA GLN A 107 -23.624 14.121 21.593 1.00 0.00 C ATOM 1491 C GLN A 107 -23.801 15.636 21.708 1.00 0.00 C ATOM 1492 O GLN A 107 -22.939 16.327 22.250 1.00 0.00 O ATOM 1493 CB GLN A 107 -23.473 13.480 22.974 1.00 0.00 C ATOM 1494 CG GLN A 107 -24.641 13.858 23.886 1.00 0.00 C ATOM 1495 CD GLN A 107 -24.788 12.857 25.033 1.00 0.00 C ATOM 1496 OE1 GLN A 107 -24.177 11.801 25.051 1.00 0.00 O ATOM 1497 NE2 GLN A 107 -25.628 13.247 25.987 1.00 0.00 N ATOM 0 H GLN A 107 -21.879 14.603 20.539 1.00 0.00 H new ATOM 0 HA GLN A 107 -24.519 13.704 21.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -23.423 12.396 22.872 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -22.535 13.801 23.427 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -24.483 14.858 24.290 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -25.564 13.890 23.307 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -26.107 14.144 25.909 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -25.793 12.649 26.797 1.00 0.00 H new ATOM 1504 N ALA A 108 -24.925 16.110 21.191 1.00 0.00 N ATOM 1505 CA ALA A 108 -25.227 17.531 21.229 1.00 0.00 C ATOM 1506 C ALA A 108 -26.638 17.764 20.685 1.00 0.00 C ATOM 1507 O ALA A 108 -26.847 18.639 19.847 1.00 0.00 O ATOM 1508 CB ALA A 108 -24.164 18.300 20.441 1.00 0.00 C ATOM 0 H ALA A 108 -25.638 15.535 20.743 1.00 0.00 H new ATOM 0 HA ALA A 108 -25.204 17.900 22.254 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -24.390 19.366 20.469 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -23.184 18.125 20.885 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -24.159 17.957 19.406 1.00 0.00 H new ATOM 1514 N ARG A 109 -27.569 16.964 21.182 1.00 0.00 N ATOM 1515 CA ARG A 109 -28.954 17.073 20.757 1.00 0.00 C ATOM 1516 C ARG A 109 -29.888 17.005 21.967 1.00 0.00 C ATOM 1517 O ARG A 109 -30.880 16.279 21.950 1.00 0.00 O ATOM 1518 CB ARG A 109 -29.318 15.953 19.779 1.00 0.00 C ATOM 1519 CG ARG A 109 -28.855 16.294 18.360 1.00 0.00 C ATOM 1520 CD ARG A 109 -27.606 15.496 17.985 1.00 0.00 C ATOM 1521 NE ARG A 109 -27.673 15.089 16.563 1.00 0.00 N ATOM 1522 CZ ARG A 109 -28.561 14.199 16.072 1.00 0.00 C ATOM 1523 NH1 ARG A 109 -29.465 13.612 16.886 1.00 0.00 N ATOM 1524 NH2 ARG A 109 -28.531 13.909 14.785 1.00 0.00 N ATOM 0 H ARG A 109 -27.392 16.237 21.875 1.00 0.00 H new ATOM 0 HA ARG A 109 -29.073 18.033 20.255 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -28.857 15.019 20.102 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -30.397 15.795 19.786 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -29.655 16.079 17.651 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -28.644 17.361 18.289 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -26.714 16.098 18.158 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -27.523 14.614 18.621 1.00 0.00 H new ATOM 0 HE ARG A 109 -27.007 15.507 15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -29.480 13.840 17.880 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -30.133 12.941 16.507 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -27.844 14.355 14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -29.195 13.239 14.398 1.00 0.00 H new ATOM 1533 N LEU A 110 -29.538 17.772 22.989 1.00 0.00 N ATOM 1534 CA LEU A 110 -30.332 17.811 24.204 1.00 0.00 C ATOM 1535 C LEU A 110 -30.791 19.246 24.465 1.00 0.00 C ATOM 1536 O LEU A 110 -30.021 20.189 24.290 1.00 0.00 O ATOM 1537 CB LEU A 110 -29.558 17.191 25.369 1.00 0.00 C ATOM 1538 CG LEU A 110 -30.229 17.277 26.742 1.00 0.00 C ATOM 1539 CD1 LEU A 110 -31.295 16.191 26.899 1.00 0.00 C ATOM 1540 CD2 LEU A 110 -29.191 17.227 27.864 1.00 0.00 C ATOM 0 H LEU A 110 -28.713 18.372 23.000 1.00 0.00 H new ATOM 0 HA LEU A 110 -31.231 17.206 24.090 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -29.376 16.141 25.141 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -28.584 17.677 25.432 1.00 0.00 H new ATOM 0 HG LEU A 110 -30.735 18.239 26.815 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -31.757 16.274 27.883 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -32.057 16.315 26.129 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -30.832 15.209 26.797 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -29.695 17.290 28.829 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -28.636 16.291 27.805 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -28.502 18.065 27.759 1.00 0.00 H new ATOM 1551 N GLU A 111 -32.044 19.368 24.879 1.00 0.00 N ATOM 1552 CA GLU A 111 -32.614 20.673 25.165 1.00 0.00 C ATOM 1553 C GLU A 111 -33.491 20.606 26.417 1.00 0.00 C ATOM 1554 O GLU A 111 -34.530 19.949 26.417 1.00 0.00 O ATOM 1555 CB GLU A 111 -33.408 21.199 23.968 1.00 0.00 C ATOM 1556 CG GLU A 111 -32.532 21.265 22.715 1.00 0.00 C ATOM 1557 CD GLU A 111 -32.867 22.499 21.875 1.00 0.00 C ATOM 1558 OE1 GLU A 111 -34.042 22.730 21.555 1.00 0.00 O ATOM 1559 OE2 GLU A 111 -31.854 23.232 21.554 1.00 0.00 O ATOM 0 H GLU A 111 -32.680 18.584 25.023 1.00 0.00 H new ATOM 0 HA GLU A 111 -31.798 21.371 25.353 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -34.265 20.552 23.783 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -33.800 22.190 24.195 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -31.481 21.291 23.003 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -32.677 20.364 22.118 1.00 0.00 H new ATOM 1565 N ALA A 112 -33.039 21.295 27.455 1.00 0.00 N ATOM 1566 CA ALA A 112 -33.770 21.322 28.711 1.00 0.00 C ATOM 1567 C ALA A 112 -33.400 22.591 29.483 1.00 0.00 C ATOM 1568 O ALA A 112 -32.222 22.868 29.701 1.00 0.00 O ATOM 1569 CB ALA A 112 -33.469 20.048 29.503 1.00 0.00 C ATOM 0 H ALA A 112 -32.176 21.839 27.452 1.00 0.00 H new ATOM 0 HA ALA A 112 -34.845 21.347 28.531 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -34.017 20.067 30.445 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -33.776 19.178 28.923 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -32.400 19.990 29.706 1.00 0.00 H new ATOM 1575 N GLU A 113 -34.429 23.326 29.876 1.00 0.00 N ATOM 1576 CA GLU A 113 -34.228 24.558 30.618 1.00 0.00 C ATOM 1577 C GLU A 113 -35.555 25.049 31.201 1.00 0.00 C ATOM 1578 O GLU A 113 -35.687 25.199 32.415 1.00 0.00 O ATOM 1579 CB GLU A 113 -33.585 25.631 29.738 1.00 0.00 C ATOM 1580 CG GLU A 113 -32.748 26.600 30.577 1.00 0.00 C ATOM 1581 CD GLU A 113 -31.274 26.540 30.173 1.00 0.00 C ATOM 1582 OE1 GLU A 113 -30.735 27.524 29.644 1.00 0.00 O ATOM 1583 OE2 GLU A 113 -30.683 25.422 30.427 1.00 0.00 O ATOM 0 H GLU A 113 -35.405 23.092 29.694 1.00 0.00 H new ATOM 0 HA GLU A 113 -33.544 24.355 31.442 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -32.955 25.159 28.985 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -34.360 26.182 29.205 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -33.123 27.615 30.449 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -32.850 26.353 31.634 1.00 0.00 H new ATOM 1589 N SER A 114 -36.505 25.287 30.309 1.00 0.00 N ATOM 1590 CA SER A 114 -37.817 25.759 30.718 1.00 0.00 C ATOM 1591 C SER A 114 -37.682 27.065 31.505 1.00 0.00 C ATOM 1592 O SER A 114 -36.595 27.399 31.978 1.00 0.00 O ATOM 1593 CB SER A 114 -38.543 24.706 31.557 1.00 0.00 C ATOM 1594 OG SER A 114 -39.813 24.368 31.008 1.00 0.00 O ATOM 0 H SER A 114 -36.392 25.162 29.303 1.00 0.00 H new ATOM 0 HA SER A 114 -38.410 25.943 29.822 1.00 0.00 H new ATOM 0 HB2 SER A 114 -37.927 23.809 31.625 1.00 0.00 H new ATOM 0 HB3 SER A 114 -38.675 25.080 32.572 1.00 0.00 H new ATOM 0 HG SER A 114 -40.244 23.692 31.572 1.00 0.00 H new ATOM 1599 N LYS A 115 -38.799 27.766 31.622 1.00 0.00 N ATOM 1600 CA LYS A 115 -38.818 29.027 32.344 1.00 0.00 C ATOM 1601 C LYS A 115 -40.245 29.581 32.355 1.00 0.00 C ATOM 1602 O LYS A 115 -40.621 30.355 31.476 1.00 0.00 O ATOM 1603 CB LYS A 115 -37.788 29.995 31.760 1.00 0.00 C ATOM 1604 CG LYS A 115 -37.933 31.388 32.375 1.00 0.00 C ATOM 1605 CD LYS A 115 -37.486 31.392 33.838 1.00 0.00 C ATOM 1606 CE LYS A 115 -38.001 32.635 34.566 1.00 0.00 C ATOM 1607 NZ LYS A 115 -39.463 32.545 34.775 1.00 0.00 N ATOM 0 H LYS A 115 -39.698 27.485 31.229 1.00 0.00 H new ATOM 0 HA LYS A 115 -38.525 28.875 33.383 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -36.783 29.616 31.943 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -37.913 30.056 30.679 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -37.338 32.103 31.807 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -38.971 31.713 32.308 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -37.854 30.496 34.337 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -36.398 31.361 33.889 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -37.496 32.736 35.527 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -37.765 33.527 33.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -39.745 33.193 35.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -39.956 32.808 33.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -39.717 31.571 35.036 1.00 0.00 H new TER 1616 LYS A 115