USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 ASN : amide:sc= -3.03! C(o=-2.7!,f=-9.9!) USER MOD Set 1.2: A 47 ASN : amide:sc= 0.328 K(o=-2.7,f=-7.1!) USER MOD Set 2.1: A 33 HIS :FLIP no HD1:sc= -5.93! C(o=-16!,f=-15!) USER MOD Set 2.2: A 91 GLN :FLIP amide:sc= -5.23! C(o=-17!,f=-15!) USER MOD Set 2.3: A 92 GLN :FLIP amide:sc= -4.11! C(o=-17!,f=-15!) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 164:sc= 2.56 (180deg=1.29) USER MOD Set 3.2: A 25 SER OG : rot -130:sc= 0.799 USER MOD Single : A 14 MET CE :methyl -110:sc= -0.611 (180deg=-4.69!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.152 USER MOD Single : A 17 HIS : no HE2:sc= -0.0334 K(o=-0.033,f=-3.2!) USER MOD Single : A 19 HIS : no HE2:sc= -0.623! C(o=-0.62!,f=-5.8!) USER MOD Single : A 21 GLN : amide:sc= -2.8! C(o=-2.8!,f=-5.3!) USER MOD Single : A 26 ASN : amide:sc= -6.59! C(o=-6.6!,f=-7.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.776 USER MOD Single : A 38 GLN : amide:sc= -1.5 K(o=-1.5,f=-2!) USER MOD Single : A 39 CYS SG : rot -66:sc= -1.08! USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0385 (180deg=-0.277) USER MOD Single : A 49 TYR OH : rot -59:sc= 0.00904 USER MOD Single : A 51 SER OG : rot 113:sc= 0.864 USER MOD Single : A 59 CYS SG : rot 180:sc= -3.54! USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 7:sc= 1.03 USER MOD Single : A 64 GLN : amide:sc= -0.907 X(o=-0.91,f=-0.9) USER MOD Single : A 67 LYS NZ :NH3+ 153:sc= -3.55! (180deg=-5.36!) USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -1.67! (180deg=-1.86!) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 77 SER OG : rot -51:sc= 0.00447 USER MOD Single : A 78 LYS NZ :NH3+ -136:sc= 1.05 (180deg=0.0138) USER MOD Single : A 83 SER OG : rot 88:sc= -0.868 USER MOD Single : A 88 TYR OH : rot -88:sc= -1.24! USER MOD Single : A 97 TYR OH : rot 53:sc= 1.26 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -7.697 14.816 2.027 1.00 9.03 N ATOM 2 CA GLY A 12 -8.900 13.955 1.978 1.00 8.58 C ATOM 3 C GLY A 12 -9.388 13.586 3.362 1.00 7.72 C ATOM 4 O GLY A 12 -8.582 13.308 4.252 1.00 7.84 O ATOM 0 HA2 GLY A 12 -9.694 14.472 1.439 1.00 8.58 H new ATOM 0 HA3 GLY A 12 -8.674 13.047 1.419 1.00 8.58 H new ATOM 10 N ALA A 13 -10.701 13.586 3.551 1.00 7.10 N ATOM 11 CA ALA A 13 -11.290 13.229 4.836 1.00 6.53 C ATOM 12 C ALA A 13 -11.305 11.718 5.027 1.00 5.64 C ATOM 13 O ALA A 13 -11.407 11.225 6.149 1.00 5.46 O ATOM 14 CB ALA A 13 -12.697 13.788 4.953 1.00 6.80 C ATOM 0 H ALA A 13 -11.380 13.830 2.830 1.00 7.10 H new ATOM 0 HA ALA A 13 -10.674 13.667 5.621 1.00 6.53 H new ATOM 0 HB1 ALA A 13 -13.119 13.511 5.919 1.00 6.80 H new ATOM 0 HB2 ALA A 13 -12.665 14.874 4.869 1.00 6.80 H new ATOM 0 HB3 ALA A 13 -13.318 13.381 4.155 1.00 6.80 H new ATOM 20 N MET A 14 -11.200 10.998 3.912 1.00 5.41 N ATOM 21 CA MET A 14 -11.172 9.537 3.903 1.00 4.79 C ATOM 22 C MET A 14 -12.398 8.928 4.572 1.00 3.99 C ATOM 23 O MET A 14 -13.491 8.944 4.004 1.00 4.17 O ATOM 24 CB MET A 14 -9.903 8.993 4.564 1.00 5.31 C ATOM 25 CG MET A 14 -8.623 9.356 3.835 1.00 5.50 C ATOM 26 SD MET A 14 -7.181 8.547 4.545 1.00 6.58 S ATOM 27 CE MET A 14 -7.603 6.833 4.249 1.00 7.20 C ATOM 0 H MET A 14 -11.132 11.415 2.983 1.00 5.41 H new ATOM 0 HA MET A 14 -11.178 9.244 2.853 1.00 4.79 H new ATOM 0 HB2 MET A 14 -9.847 9.371 5.585 1.00 5.31 H new ATOM 0 HB3 MET A 14 -9.976 7.907 4.629 1.00 5.31 H new ATOM 0 HG2 MET A 14 -8.714 9.077 2.785 1.00 5.50 H new ATOM 0 HG3 MET A 14 -8.483 10.437 3.867 1.00 5.50 H new ATOM 0 HE1 MET A 14 -7.831 6.346 5.197 1.00 7.20 H new ATOM 0 HE2 MET A 14 -8.473 6.780 3.595 1.00 7.20 H new ATOM 0 HE3 MET A 14 -6.762 6.328 3.775 1.00 7.20 H new ATOM 37 N GLU A 15 -12.205 8.403 5.786 1.00 3.65 N ATOM 38 CA GLU A 15 -13.233 7.634 6.482 1.00 3.40 C ATOM 39 C GLU A 15 -13.720 6.506 5.582 1.00 2.63 C ATOM 40 O GLU A 15 -14.900 6.155 5.548 1.00 2.90 O ATOM 41 CB GLU A 15 -14.380 8.540 6.936 1.00 4.21 C ATOM 42 CG GLU A 15 -13.945 9.549 7.989 1.00 5.16 C ATOM 43 CD GLU A 15 -13.347 8.885 9.215 1.00 5.80 C ATOM 44 OE1 GLU A 15 -12.125 8.641 9.226 1.00 6.20 O ATOM 45 OE2 GLU A 15 -14.093 8.623 10.187 1.00 6.21 O ATOM 0 H GLU A 15 -11.335 8.500 6.309 1.00 3.65 H new ATOM 0 HA GLU A 15 -12.806 7.193 7.383 1.00 3.40 H new ATOM 0 HB2 GLU A 15 -14.782 9.071 6.073 1.00 4.21 H new ATOM 0 HB3 GLU A 15 -15.186 7.926 7.337 1.00 4.21 H new ATOM 0 HG2 GLU A 15 -13.213 10.230 7.555 1.00 5.16 H new ATOM 0 HG3 GLU A 15 -14.803 10.151 8.288 1.00 5.16 H new ATOM 52 N SER A 16 -12.760 5.944 4.865 1.00 2.29 N ATOM 53 CA SER A 16 -12.994 4.907 3.882 1.00 2.23 C ATOM 54 C SER A 16 -11.640 4.298 3.529 1.00 1.84 C ATOM 55 O SER A 16 -10.641 4.599 4.187 1.00 2.63 O ATOM 56 CB SER A 16 -13.674 5.502 2.638 1.00 3.27 C ATOM 57 OG SER A 16 -14.046 4.491 1.713 1.00 4.00 O ATOM 0 H SER A 16 -11.778 6.204 4.955 1.00 2.29 H new ATOM 0 HA SER A 16 -13.657 4.137 4.277 1.00 2.23 H new ATOM 0 HB2 SER A 16 -14.558 6.064 2.939 1.00 3.27 H new ATOM 0 HB3 SER A 16 -12.998 6.207 2.155 1.00 3.27 H new ATOM 0 HG SER A 16 -14.477 4.902 0.935 1.00 4.00 H new ATOM 63 N HIS A 17 -11.594 3.454 2.509 1.00 1.21 N ATOM 64 CA HIS A 17 -10.345 2.803 2.119 1.00 1.12 C ATOM 65 C HIS A 17 -10.062 3.039 0.633 1.00 0.95 C ATOM 66 O HIS A 17 -10.125 2.110 -0.169 1.00 1.29 O ATOM 67 CB HIS A 17 -10.405 1.289 2.395 1.00 1.94 C ATOM 68 CG HIS A 17 -10.630 0.904 3.832 1.00 2.42 C ATOM 69 ND1 HIS A 17 -9.790 0.062 4.526 1.00 3.33 N ATOM 70 CD2 HIS A 17 -11.630 1.220 4.692 1.00 2.69 C ATOM 71 CE1 HIS A 17 -10.261 -0.119 5.747 1.00 3.81 C ATOM 72 NE2 HIS A 17 -11.376 0.572 5.874 1.00 3.44 N ATOM 0 H HIS A 17 -12.400 3.203 1.937 1.00 1.21 H new ATOM 0 HA HIS A 17 -9.542 3.238 2.714 1.00 1.12 H new ATOM 0 HB2 HIS A 17 -11.204 0.858 1.792 1.00 1.94 H new ATOM 0 HB3 HIS A 17 -9.472 0.838 2.057 1.00 1.94 H new ATOM 0 HD1 HIS A 17 -8.937 -0.357 4.155 1.00 3.33 H new ATOM 0 HD2 HIS A 17 -12.472 1.864 4.484 1.00 2.69 H new ATOM 0 HE1 HIS A 17 -9.808 -0.731 6.513 1.00 3.81 H new ATOM 81 N PRO A 18 -9.734 4.287 0.249 1.00 0.69 N ATOM 82 CA PRO A 18 -9.582 4.670 -1.159 1.00 0.74 C ATOM 83 C PRO A 18 -8.358 4.042 -1.819 1.00 0.62 C ATOM 84 O PRO A 18 -8.482 3.180 -2.693 1.00 0.57 O ATOM 85 CB PRO A 18 -9.437 6.200 -1.117 1.00 0.95 C ATOM 86 CG PRO A 18 -9.795 6.601 0.277 1.00 1.15 C ATOM 87 CD PRO A 18 -9.468 5.421 1.143 1.00 0.84 C ATOM 0 HA PRO A 18 -10.429 4.325 -1.752 1.00 0.74 H new ATOM 0 HB2 PRO A 18 -8.420 6.504 -1.363 1.00 0.95 H new ATOM 0 HB3 PRO A 18 -10.096 6.676 -1.843 1.00 0.95 H new ATOM 0 HG2 PRO A 18 -9.231 7.481 0.587 1.00 1.15 H new ATOM 0 HG3 PRO A 18 -10.852 6.858 0.350 1.00 1.15 H new ATOM 0 HD2 PRO A 18 -8.431 5.439 1.478 1.00 0.84 H new ATOM 0 HD3 PRO A 18 -10.091 5.388 2.037 1.00 0.84 H new ATOM 95 N HIS A 19 -7.172 4.461 -1.392 1.00 0.68 N ATOM 96 CA HIS A 19 -5.945 3.975 -2.002 1.00 0.70 C ATOM 97 C HIS A 19 -5.693 2.555 -1.542 1.00 0.61 C ATOM 98 O HIS A 19 -5.136 1.741 -2.274 1.00 0.63 O ATOM 99 CB HIS A 19 -4.739 4.853 -1.650 1.00 0.95 C ATOM 100 CG HIS A 19 -4.920 6.312 -1.938 1.00 0.54 C ATOM 101 ND1 HIS A 19 -5.032 7.261 -0.947 1.00 1.09 N ATOM 102 CD2 HIS A 19 -4.992 6.986 -3.109 1.00 1.06 C ATOM 103 CE1 HIS A 19 -5.167 8.452 -1.492 1.00 1.26 C ATOM 104 NE2 HIS A 19 -5.147 8.317 -2.803 1.00 1.23 N ATOM 0 H HIS A 19 -7.037 5.129 -0.633 1.00 0.68 H new ATOM 0 HA HIS A 19 -6.069 4.010 -3.084 1.00 0.70 H new ATOM 0 HB2 HIS A 19 -4.515 4.731 -0.590 1.00 0.95 H new ATOM 0 HB3 HIS A 19 -3.871 4.493 -2.202 1.00 0.95 H new ATOM 0 HD1 HIS A 19 -5.013 7.071 0.055 1.00 1.09 H new ATOM 0 HD2 HIS A 19 -4.938 6.558 -4.099 1.00 1.06 H new ATOM 0 HE1 HIS A 19 -5.276 9.383 -0.955 1.00 1.26 H new ATOM 113 N ILE A 20 -6.144 2.261 -0.332 1.00 0.60 N ATOM 114 CA ILE A 20 -5.940 0.954 0.272 1.00 0.61 C ATOM 115 C ILE A 20 -6.507 -0.146 -0.624 1.00 0.55 C ATOM 116 O ILE A 20 -5.833 -1.140 -0.906 1.00 0.62 O ATOM 117 CB ILE A 20 -6.633 0.869 1.646 1.00 0.65 C ATOM 118 CG1 ILE A 20 -6.447 2.167 2.429 1.00 0.93 C ATOM 119 CG2 ILE A 20 -6.068 -0.287 2.446 1.00 1.21 C ATOM 120 CD1 ILE A 20 -7.139 2.180 3.774 1.00 0.90 C ATOM 0 H ILE A 20 -6.658 2.917 0.255 1.00 0.60 H new ATOM 0 HA ILE A 20 -4.866 0.816 0.395 1.00 0.61 H new ATOM 0 HB ILE A 20 -7.698 0.709 1.478 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -5.381 2.339 2.579 1.00 0.93 H new ATOM 0 HG13 ILE A 20 -6.823 2.997 1.831 1.00 0.93 H new ATOM 0 HG21 ILE A 20 -6.565 -0.337 3.415 1.00 1.21 H new ATOM 0 HG22 ILE A 20 -6.233 -1.219 1.905 1.00 1.21 H new ATOM 0 HG23 ILE A 20 -4.998 -0.138 2.595 1.00 1.21 H new ATOM 0 HD11 ILE A 20 -6.959 3.135 4.267 1.00 0.90 H new ATOM 0 HD12 ILE A 20 -8.211 2.041 3.633 1.00 0.90 H new ATOM 0 HD13 ILE A 20 -6.747 1.373 4.393 1.00 0.90 H new ATOM 132 N GLN A 21 -7.741 0.044 -1.085 1.00 0.49 N ATOM 133 CA GLN A 21 -8.382 -0.929 -1.957 1.00 0.50 C ATOM 134 C GLN A 21 -7.706 -0.997 -3.319 1.00 0.50 C ATOM 135 O GLN A 21 -7.487 -2.090 -3.852 1.00 0.57 O ATOM 136 CB GLN A 21 -9.870 -0.632 -2.134 1.00 0.56 C ATOM 137 CG GLN A 21 -10.771 -1.600 -1.380 1.00 0.93 C ATOM 138 CD GLN A 21 -10.854 -1.300 0.104 1.00 1.00 C ATOM 139 OE1 GLN A 21 -11.753 -0.589 0.548 1.00 1.72 O ATOM 140 NE2 GLN A 21 -9.920 -1.831 0.880 1.00 0.82 N ATOM 0 H GLN A 21 -8.313 0.861 -0.869 1.00 0.49 H new ATOM 0 HA GLN A 21 -8.276 -1.898 -1.470 1.00 0.50 H new ATOM 0 HB2 GLN A 21 -10.074 0.383 -1.794 1.00 0.56 H new ATOM 0 HB3 GLN A 21 -10.117 -0.668 -3.195 1.00 0.56 H new ATOM 0 HG2 GLN A 21 -11.773 -1.564 -1.809 1.00 0.93 H new ATOM 0 HG3 GLN A 21 -10.401 -2.616 -1.519 1.00 0.93 H new ATOM 0 HE21 GLN A 21 -9.190 -2.416 0.473 1.00 0.82 H new ATOM 0 HE22 GLN A 21 -9.931 -1.655 1.885 1.00 0.82 H new ATOM 149 N LEU A 22 -7.390 0.162 -3.890 1.00 0.51 N ATOM 150 CA LEU A 22 -6.806 0.207 -5.214 1.00 0.54 C ATOM 151 C LEU A 22 -5.414 -0.436 -5.235 1.00 0.50 C ATOM 152 O LEU A 22 -5.153 -1.314 -6.057 1.00 0.49 O ATOM 153 CB LEU A 22 -6.783 1.656 -5.724 1.00 0.65 C ATOM 154 CG LEU A 22 -5.469 2.432 -5.582 1.00 1.06 C ATOM 155 CD1 LEU A 22 -4.608 2.266 -6.825 1.00 0.75 C ATOM 156 CD2 LEU A 22 -5.743 3.905 -5.318 1.00 1.93 C ATOM 0 H LEU A 22 -7.530 1.074 -3.455 1.00 0.51 H new ATOM 0 HA LEU A 22 -7.425 -0.380 -5.892 1.00 0.54 H new ATOM 0 HB2 LEU A 22 -7.056 1.646 -6.779 1.00 0.65 H new ATOM 0 HB3 LEU A 22 -7.560 2.211 -5.198 1.00 0.65 H new ATOM 0 HG LEU A 22 -4.924 2.024 -4.731 1.00 1.06 H new ATOM 0 HD11 LEU A 22 -3.680 2.825 -6.702 1.00 0.75 H new ATOM 0 HD12 LEU A 22 -4.379 1.210 -6.971 1.00 0.75 H new ATOM 0 HD13 LEU A 22 -5.147 2.643 -7.694 1.00 0.75 H new ATOM 0 HD21 LEU A 22 -4.798 4.439 -5.220 1.00 1.93 H new ATOM 0 HD22 LEU A 22 -6.312 4.324 -6.148 1.00 1.93 H new ATOM 0 HD23 LEU A 22 -6.316 4.009 -4.396 1.00 1.93 H new ATOM 168 N LEU A 23 -4.545 -0.039 -4.303 1.00 0.51 N ATOM 169 CA LEU A 23 -3.168 -0.520 -4.268 1.00 0.51 C ATOM 170 C LEU A 23 -3.078 -2.032 -4.106 1.00 0.46 C ATOM 171 O LEU A 23 -2.175 -2.658 -4.655 1.00 0.48 O ATOM 172 CB LEU A 23 -2.382 0.161 -3.146 1.00 0.61 C ATOM 173 CG LEU A 23 -1.653 1.447 -3.543 1.00 0.73 C ATOM 174 CD1 LEU A 23 -2.614 2.610 -3.703 1.00 1.47 C ATOM 175 CD2 LEU A 23 -0.571 1.782 -2.529 1.00 1.03 C ATOM 0 H LEU A 23 -4.776 0.619 -3.559 1.00 0.51 H new ATOM 0 HA LEU A 23 -2.730 -0.263 -5.232 1.00 0.51 H new ATOM 0 HB2 LEU A 23 -3.069 0.389 -2.331 1.00 0.61 H new ATOM 0 HB3 LEU A 23 -1.650 -0.547 -2.757 1.00 0.61 H new ATOM 0 HG LEU A 23 -1.184 1.274 -4.511 1.00 0.73 H new ATOM 0 HD11 LEU A 23 -2.059 3.505 -3.985 1.00 1.47 H new ATOM 0 HD12 LEU A 23 -3.343 2.376 -4.479 1.00 1.47 H new ATOM 0 HD13 LEU A 23 -3.132 2.787 -2.760 1.00 1.47 H new ATOM 0 HD21 LEU A 23 -0.064 2.699 -2.828 1.00 1.03 H new ATOM 0 HD22 LEU A 23 -1.023 1.921 -1.547 1.00 1.03 H new ATOM 0 HD23 LEU A 23 0.151 0.966 -2.484 1.00 1.03 H new ATOM 187 N LYS A 24 -3.987 -2.623 -3.344 1.00 0.45 N ATOM 188 CA LYS A 24 -3.926 -4.057 -3.104 1.00 0.46 C ATOM 189 C LYS A 24 -4.171 -4.862 -4.383 1.00 0.44 C ATOM 190 O LYS A 24 -3.611 -5.944 -4.547 1.00 0.49 O ATOM 191 CB LYS A 24 -4.835 -4.494 -1.946 1.00 0.51 C ATOM 192 CG LYS A 24 -6.320 -4.193 -2.091 1.00 0.53 C ATOM 193 CD LYS A 24 -7.153 -5.463 -2.206 1.00 1.12 C ATOM 194 CE LYS A 24 -7.456 -5.819 -3.650 1.00 1.24 C ATOM 195 NZ LYS A 24 -8.387 -4.844 -4.274 1.00 1.92 N ATOM 0 H LYS A 24 -4.763 -2.142 -2.889 1.00 0.45 H new ATOM 0 HA LYS A 24 -2.907 -4.282 -2.788 1.00 0.46 H new ATOM 0 HB2 LYS A 24 -4.718 -5.569 -1.808 1.00 0.51 H new ATOM 0 HB3 LYS A 24 -4.478 -4.015 -1.034 1.00 0.51 H new ATOM 0 HG2 LYS A 24 -6.658 -3.615 -1.231 1.00 0.53 H new ATOM 0 HG3 LYS A 24 -6.480 -3.574 -2.974 1.00 0.53 H new ATOM 0 HD2 LYS A 24 -6.621 -6.289 -1.734 1.00 1.12 H new ATOM 0 HD3 LYS A 24 -8.088 -5.333 -1.661 1.00 1.12 H new ATOM 0 HE2 LYS A 24 -6.527 -5.850 -4.219 1.00 1.24 H new ATOM 0 HE3 LYS A 24 -7.891 -6.817 -3.695 1.00 1.24 H new ATOM 0 HZ1 LYS A 24 -8.361 -4.952 -5.308 1.00 1.92 H new ATOM 0 HZ2 LYS A 24 -9.353 -5.019 -3.932 1.00 1.92 H new ATOM 0 HZ3 LYS A 24 -8.099 -3.878 -4.020 1.00 1.92 H new ATOM 209 N SER A 25 -4.995 -4.345 -5.289 1.00 0.43 N ATOM 210 CA SER A 25 -5.194 -5.006 -6.575 1.00 0.50 C ATOM 211 C SER A 25 -3.905 -4.978 -7.393 1.00 0.52 C ATOM 212 O SER A 25 -3.504 -5.982 -7.977 1.00 0.74 O ATOM 213 CB SER A 25 -6.315 -4.338 -7.366 1.00 0.55 C ATOM 214 OG SER A 25 -7.570 -4.512 -6.736 1.00 1.00 O ATOM 0 H SER A 25 -5.528 -3.485 -5.161 1.00 0.43 H new ATOM 0 HA SER A 25 -5.474 -6.041 -6.378 1.00 0.50 H new ATOM 0 HB2 SER A 25 -6.104 -3.274 -7.470 1.00 0.55 H new ATOM 0 HB3 SER A 25 -6.351 -4.756 -8.372 1.00 0.55 H new ATOM 0 HG SER A 25 -8.222 -4.841 -7.390 1.00 1.00 H new ATOM 220 N ASN A 26 -3.232 -3.834 -7.398 1.00 0.41 N ATOM 221 CA ASN A 26 -2.001 -3.694 -8.163 1.00 0.47 C ATOM 222 C ASN A 26 -0.776 -4.046 -7.328 1.00 0.45 C ATOM 223 O ASN A 26 0.329 -3.591 -7.624 1.00 0.46 O ATOM 224 CB ASN A 26 -1.844 -2.284 -8.748 1.00 0.55 C ATOM 225 CG ASN A 26 -2.096 -1.184 -7.737 1.00 0.65 C ATOM 226 OD1 ASN A 26 -1.259 -0.895 -6.883 1.00 1.50 O ATOM 227 ND2 ASN A 26 -3.239 -0.535 -7.861 1.00 0.74 N ATOM 0 H ASN A 26 -3.515 -2.998 -6.886 1.00 0.41 H new ATOM 0 HA ASN A 26 -2.074 -4.401 -8.990 1.00 0.47 H new ATOM 0 HB2 ASN A 26 -0.837 -2.175 -9.150 1.00 0.55 H new ATOM 0 HB3 ASN A 26 -2.535 -2.166 -9.583 1.00 0.55 H new ATOM 0 HD21 ASN A 26 -3.456 0.240 -7.234 1.00 0.74 H new ATOM 0 HD22 ASN A 26 -3.905 -0.808 -8.584 1.00 0.74 H new ATOM 234 N ARG A 27 -0.960 -4.869 -6.294 1.00 0.46 N ATOM 235 CA ARG A 27 0.182 -5.377 -5.539 1.00 0.50 C ATOM 236 C ARG A 27 1.080 -6.173 -6.465 1.00 0.48 C ATOM 237 O ARG A 27 2.297 -6.122 -6.349 1.00 0.54 O ATOM 238 CB ARG A 27 -0.242 -6.271 -4.373 1.00 0.57 C ATOM 239 CG ARG A 27 -0.902 -5.546 -3.215 1.00 1.30 C ATOM 240 CD ARG A 27 0.053 -4.579 -2.537 1.00 2.15 C ATOM 241 NE ARG A 27 0.074 -3.274 -3.189 1.00 3.26 N ATOM 242 CZ ARG A 27 0.951 -2.313 -2.906 1.00 4.21 C ATOM 243 NH1 ARG A 27 1.968 -2.547 -2.081 1.00 4.46 N ATOM 244 NH2 ARG A 27 0.825 -1.126 -3.479 1.00 5.24 N ATOM 0 H ARG A 27 -1.870 -5.192 -5.966 1.00 0.46 H new ATOM 0 HA ARG A 27 0.709 -4.517 -5.126 1.00 0.50 H new ATOM 0 HB2 ARG A 27 -0.931 -7.028 -4.747 1.00 0.57 H new ATOM 0 HB3 ARG A 27 0.637 -6.796 -3.999 1.00 0.57 H new ATOM 0 HG2 ARG A 27 -1.774 -5.002 -3.577 1.00 1.30 H new ATOM 0 HG3 ARG A 27 -1.260 -6.274 -2.487 1.00 1.30 H new ATOM 0 HD2 ARG A 27 -0.237 -4.457 -1.493 1.00 2.15 H new ATOM 0 HD3 ARG A 27 1.058 -5.001 -2.541 1.00 2.15 H new ATOM 0 HE ARG A 27 -0.627 -3.086 -3.906 1.00 3.26 H new ATOM 0 HH11 ARG A 27 2.081 -3.469 -1.659 1.00 4.46 H new ATOM 0 HH12 ARG A 27 2.635 -1.805 -1.870 1.00 4.46 H new ATOM 0 HH21 ARG A 27 0.060 -0.953 -4.132 1.00 5.24 H new ATOM 0 HH22 ARG A 27 1.493 -0.384 -3.268 1.00 5.24 H new ATOM 258 N GLU A 28 0.455 -6.891 -7.392 1.00 0.51 N ATOM 259 CA GLU A 28 1.179 -7.679 -8.382 1.00 0.59 C ATOM 260 C GLU A 28 2.055 -6.764 -9.225 1.00 0.55 C ATOM 261 O GLU A 28 3.201 -7.079 -9.538 1.00 0.60 O ATOM 262 CB GLU A 28 0.203 -8.424 -9.298 1.00 0.74 C ATOM 263 CG GLU A 28 -0.844 -9.250 -8.564 1.00 1.08 C ATOM 264 CD GLU A 28 -1.747 -10.007 -9.515 1.00 1.55 C ATOM 265 OE1 GLU A 28 -2.171 -9.420 -10.535 1.00 1.93 O ATOM 266 OE2 GLU A 28 -2.023 -11.197 -9.258 1.00 2.17 O ATOM 0 H GLU A 28 -0.560 -6.943 -7.478 1.00 0.51 H new ATOM 0 HA GLU A 28 1.798 -8.406 -7.857 1.00 0.59 H new ATOM 0 HB2 GLU A 28 -0.305 -7.699 -9.934 1.00 0.74 H new ATOM 0 HB3 GLU A 28 0.771 -9.082 -9.956 1.00 0.74 H new ATOM 0 HG2 GLU A 28 -0.346 -9.956 -7.899 1.00 1.08 H new ATOM 0 HG3 GLU A 28 -1.448 -8.594 -7.937 1.00 1.08 H new ATOM 273 N LEU A 29 1.496 -5.620 -9.581 1.00 0.51 N ATOM 274 CA LEU A 29 2.195 -4.646 -10.396 1.00 0.52 C ATOM 275 C LEU A 29 3.332 -3.999 -9.609 1.00 0.49 C ATOM 276 O LEU A 29 4.462 -3.931 -10.079 1.00 0.50 O ATOM 277 CB LEU A 29 1.213 -3.580 -10.885 1.00 0.54 C ATOM 278 CG LEU A 29 1.801 -2.525 -11.821 1.00 0.62 C ATOM 279 CD1 LEU A 29 2.303 -3.167 -13.105 1.00 1.13 C ATOM 280 CD2 LEU A 29 0.764 -1.455 -12.128 1.00 0.57 C ATOM 0 H LEU A 29 0.551 -5.343 -9.315 1.00 0.51 H new ATOM 0 HA LEU A 29 2.626 -5.156 -11.257 1.00 0.52 H new ATOM 0 HB2 LEU A 29 0.389 -4.077 -11.398 1.00 0.54 H new ATOM 0 HB3 LEU A 29 0.790 -3.075 -10.017 1.00 0.54 H new ATOM 0 HG LEU A 29 2.648 -2.054 -11.322 1.00 0.62 H new ATOM 0 HD11 LEU A 29 2.718 -2.399 -13.758 1.00 1.13 H new ATOM 0 HD12 LEU A 29 3.076 -3.898 -12.868 1.00 1.13 H new ATOM 0 HD13 LEU A 29 1.476 -3.665 -13.611 1.00 1.13 H new ATOM 0 HD21 LEU A 29 1.197 -0.710 -12.796 1.00 0.57 H new ATOM 0 HD22 LEU A 29 -0.101 -1.913 -12.607 1.00 0.57 H new ATOM 0 HD23 LEU A 29 0.452 -0.974 -11.201 1.00 0.57 H new ATOM 292 N LEU A 30 3.030 -3.517 -8.413 1.00 0.50 N ATOM 293 CA LEU A 30 4.026 -2.830 -7.601 1.00 0.54 C ATOM 294 C LEU A 30 5.099 -3.772 -7.056 1.00 0.48 C ATOM 295 O LEU A 30 6.251 -3.360 -6.894 1.00 0.50 O ATOM 296 CB LEU A 30 3.368 -2.034 -6.476 1.00 0.68 C ATOM 297 CG LEU A 30 2.874 -0.638 -6.884 1.00 0.84 C ATOM 298 CD1 LEU A 30 1.737 -0.726 -7.886 1.00 0.91 C ATOM 299 CD2 LEU A 30 2.447 0.144 -5.662 1.00 1.04 C ATOM 0 H LEU A 30 2.108 -3.588 -7.983 1.00 0.50 H new ATOM 0 HA LEU A 30 4.535 -2.130 -8.263 1.00 0.54 H new ATOM 0 HB2 LEU A 30 2.524 -2.605 -6.090 1.00 0.68 H new ATOM 0 HB3 LEU A 30 4.081 -1.928 -5.659 1.00 0.68 H new ATOM 0 HG LEU A 30 3.700 -0.115 -7.365 1.00 0.84 H new ATOM 0 HD11 LEU A 30 1.410 0.279 -8.154 1.00 0.91 H new ATOM 0 HD12 LEU A 30 2.079 -1.247 -8.780 1.00 0.91 H new ATOM 0 HD13 LEU A 30 0.904 -1.273 -7.444 1.00 0.91 H new ATOM 0 HD21 LEU A 30 2.099 1.131 -5.965 1.00 1.04 H new ATOM 0 HD22 LEU A 30 1.640 -0.385 -5.155 1.00 1.04 H new ATOM 0 HD23 LEU A 30 3.294 0.250 -4.984 1.00 1.04 H new ATOM 311 N VAL A 31 4.742 -5.026 -6.776 1.00 0.45 N ATOM 312 CA VAL A 31 5.727 -5.987 -6.286 1.00 0.45 C ATOM 313 C VAL A 31 6.776 -6.257 -7.372 1.00 0.46 C ATOM 314 O VAL A 31 7.978 -6.262 -7.102 1.00 0.54 O ATOM 315 CB VAL A 31 5.093 -7.323 -5.793 1.00 0.45 C ATOM 316 CG1 VAL A 31 4.514 -8.150 -6.931 1.00 1.20 C ATOM 317 CG2 VAL A 31 6.115 -8.138 -5.011 1.00 1.29 C ATOM 0 H VAL A 31 3.796 -5.394 -6.878 1.00 0.45 H new ATOM 0 HA VAL A 31 6.203 -5.537 -5.415 1.00 0.45 H new ATOM 0 HB VAL A 31 4.263 -7.059 -5.137 1.00 0.45 H new ATOM 0 HG11 VAL A 31 4.086 -9.069 -6.531 1.00 1.20 H new ATOM 0 HG12 VAL A 31 3.737 -7.578 -7.438 1.00 1.20 H new ATOM 0 HG13 VAL A 31 5.304 -8.396 -7.640 1.00 1.20 H new ATOM 0 HG21 VAL A 31 5.657 -9.068 -4.673 1.00 1.29 H new ATOM 0 HG22 VAL A 31 6.967 -8.365 -5.652 1.00 1.29 H new ATOM 0 HG23 VAL A 31 6.453 -7.565 -4.147 1.00 1.29 H new ATOM 327 N THR A 32 6.308 -6.455 -8.604 1.00 0.45 N ATOM 328 CA THR A 32 7.191 -6.687 -9.737 1.00 0.51 C ATOM 329 C THR A 32 7.927 -5.402 -10.137 1.00 0.49 C ATOM 330 O THR A 32 9.026 -5.465 -10.687 1.00 0.55 O ATOM 331 CB THR A 32 6.430 -7.286 -10.951 1.00 0.58 C ATOM 332 OG1 THR A 32 7.363 -7.809 -11.906 1.00 0.71 O ATOM 333 CG2 THR A 32 5.544 -6.254 -11.634 1.00 0.59 C ATOM 0 H THR A 32 5.316 -6.459 -8.839 1.00 0.45 H new ATOM 0 HA THR A 32 7.932 -7.421 -9.420 1.00 0.51 H new ATOM 0 HB THR A 32 5.792 -8.084 -10.571 1.00 0.58 H new ATOM 0 HG1 THR A 32 6.875 -8.186 -12.668 1.00 0.71 H new ATOM 0 HG21 THR A 32 5.031 -6.716 -12.477 1.00 0.59 H new ATOM 0 HG22 THR A 32 4.808 -5.879 -10.923 1.00 0.59 H new ATOM 0 HG23 THR A 32 6.158 -5.427 -11.992 1.00 0.59 H new ATOM 341 N HIS A 33 7.296 -4.243 -9.878 1.00 0.43 N ATOM 342 CA HIS A 33 7.872 -2.937 -10.223 1.00 0.45 C ATOM 343 C HIS A 33 9.335 -2.842 -9.807 1.00 0.51 C ATOM 344 O HIS A 33 10.224 -2.888 -10.656 1.00 0.68 O ATOM 345 CB HIS A 33 7.070 -1.788 -9.589 1.00 0.47 C ATOM 346 CG HIS A 33 5.987 -1.238 -10.471 1.00 0.52 C ATOM 347 ND1 HIS A 33 4.747 -0.785 -10.171 1.00 1.27 N flip ATOM 348 CD2 HIS A 33 6.133 -1.060 -11.829 1.00 1.18 C flip ATOM 349 CE1 HIS A 33 4.179 -0.345 -11.338 1.00 1.03 C flip ATOM 350 NE2 HIS A 33 5.036 -0.522 -12.323 1.00 0.85 N flip ATOM 0 H HIS A 33 6.382 -4.188 -9.428 1.00 0.43 H new ATOM 0 HA HIS A 33 7.817 -2.843 -11.308 1.00 0.45 H new ATOM 0 HB2 HIS A 33 6.623 -2.141 -8.660 1.00 0.47 H new ATOM 0 HB3 HIS A 33 7.755 -0.982 -9.327 1.00 0.47 H new ATOM 0 HD2 HIS A 33 7.011 -1.321 -12.401 1.00 1.18 H new ATOM 0 HE1 HIS A 33 3.190 0.078 -11.435 1.00 1.03 H new ATOM 0 HE2 HIS A 33 4.877 -0.283 -13.302 1.00 0.85 H new ATOM 359 N ILE A 34 9.589 -2.706 -8.509 1.00 0.51 N ATOM 360 CA ILE A 34 10.962 -2.683 -8.014 1.00 0.62 C ATOM 361 C ILE A 34 11.061 -3.343 -6.641 1.00 0.55 C ATOM 362 O ILE A 34 11.533 -4.471 -6.524 1.00 0.63 O ATOM 363 CB ILE A 34 11.565 -1.251 -7.935 1.00 0.85 C ATOM 364 CG1 ILE A 34 11.606 -0.595 -9.317 1.00 1.71 C ATOM 365 CG2 ILE A 34 12.969 -1.296 -7.342 1.00 1.51 C ATOM 366 CD1 ILE A 34 12.266 0.768 -9.326 1.00 2.62 C ATOM 0 H ILE A 34 8.873 -2.611 -7.789 1.00 0.51 H new ATOM 0 HA ILE A 34 11.544 -3.247 -8.743 1.00 0.62 H new ATOM 0 HB ILE A 34 10.923 -0.654 -7.288 1.00 0.85 H new ATOM 0 HG12 ILE A 34 12.139 -1.251 -10.005 1.00 1.71 H new ATOM 0 HG13 ILE A 34 10.588 -0.498 -9.693 1.00 1.71 H new ATOM 0 HG21 ILE A 34 13.376 -0.286 -7.294 1.00 1.51 H new ATOM 0 HG22 ILE A 34 12.927 -1.718 -6.338 1.00 1.51 H new ATOM 0 HG23 ILE A 34 13.609 -1.916 -7.970 1.00 1.51 H new ATOM 0 HD11 ILE A 34 12.258 1.170 -10.339 1.00 2.62 H new ATOM 0 HD12 ILE A 34 11.720 1.441 -8.664 1.00 2.62 H new ATOM 0 HD13 ILE A 34 13.296 0.676 -8.981 1.00 2.62 H new ATOM 378 N ARG A 35 10.593 -2.653 -5.602 1.00 0.67 N ATOM 379 CA ARG A 35 10.831 -3.118 -4.237 1.00 0.80 C ATOM 380 C ARG A 35 9.571 -3.657 -3.567 1.00 0.71 C ATOM 381 O ARG A 35 9.613 -4.714 -2.942 1.00 0.79 O ATOM 382 CB ARG A 35 11.433 -2.001 -3.377 1.00 1.03 C ATOM 383 CG ARG A 35 12.769 -1.477 -3.884 1.00 1.54 C ATOM 384 CD ARG A 35 13.807 -2.584 -3.995 1.00 1.54 C ATOM 385 NE ARG A 35 14.095 -3.202 -2.703 1.00 1.79 N ATOM 386 CZ ARG A 35 14.393 -4.491 -2.542 1.00 2.43 C ATOM 387 NH1 ARG A 35 14.499 -5.287 -3.596 1.00 2.85 N ATOM 388 NH2 ARG A 35 14.615 -4.974 -1.326 1.00 3.25 N ATOM 0 H ARG A 35 10.058 -1.788 -5.675 1.00 0.67 H new ATOM 0 HA ARG A 35 11.540 -3.942 -4.316 1.00 0.80 H new ATOM 0 HB2 ARG A 35 10.725 -1.173 -3.328 1.00 1.03 H new ATOM 0 HB3 ARG A 35 11.562 -2.370 -2.360 1.00 1.03 H new ATOM 0 HG2 ARG A 35 12.630 -1.011 -4.859 1.00 1.54 H new ATOM 0 HG3 ARG A 35 13.135 -0.703 -3.210 1.00 1.54 H new ATOM 0 HD2 ARG A 35 13.451 -3.346 -4.689 1.00 1.54 H new ATOM 0 HD3 ARG A 35 14.727 -2.176 -4.414 1.00 1.54 H new ATOM 0 HE ARG A 35 14.066 -2.610 -1.873 1.00 1.79 H new ATOM 0 HH11 ARG A 35 14.352 -4.914 -4.534 1.00 2.85 H new ATOM 0 HH12 ARG A 35 14.727 -6.273 -3.470 1.00 2.85 H new ATOM 0 HH21 ARG A 35 14.558 -4.359 -0.515 1.00 3.25 H new ATOM 0 HH22 ARG A 35 14.843 -5.961 -1.203 1.00 3.25 H new ATOM 402 N ASN A 36 8.464 -2.914 -3.685 1.00 0.62 N ATOM 403 CA ASN A 36 7.196 -3.252 -3.011 1.00 0.60 C ATOM 404 C ASN A 36 7.301 -3.068 -1.494 1.00 0.64 C ATOM 405 O ASN A 36 6.561 -2.284 -0.914 1.00 1.01 O ATOM 406 CB ASN A 36 6.745 -4.686 -3.340 1.00 0.69 C ATOM 407 CG ASN A 36 5.485 -5.094 -2.586 1.00 0.79 C ATOM 408 OD1 ASN A 36 4.369 -4.802 -3.011 1.00 1.26 O ATOM 409 ND2 ASN A 36 5.656 -5.794 -1.474 1.00 1.53 N ATOM 0 H ASN A 36 8.418 -2.064 -4.247 1.00 0.62 H new ATOM 0 HA ASN A 36 6.443 -2.561 -3.390 1.00 0.60 H new ATOM 0 HB2 ASN A 36 6.565 -4.769 -4.412 1.00 0.69 H new ATOM 0 HB3 ASN A 36 7.550 -5.380 -3.097 1.00 0.69 H new ATOM 0 HD21 ASN A 36 4.846 -6.109 -0.940 1.00 1.53 H new ATOM 0 HD22 ASN A 36 6.598 -6.018 -1.152 1.00 1.53 H new ATOM 416 N THR A 37 8.264 -3.754 -0.881 1.00 0.61 N ATOM 417 CA THR A 37 8.411 -3.823 0.579 1.00 0.65 C ATOM 418 C THR A 37 8.592 -2.444 1.244 1.00 0.54 C ATOM 419 O THR A 37 8.445 -2.309 2.458 1.00 0.46 O ATOM 420 CB THR A 37 9.604 -4.741 0.946 1.00 0.79 C ATOM 421 OG1 THR A 37 9.687 -4.921 2.366 1.00 1.15 O ATOM 422 CG2 THR A 37 10.915 -4.170 0.420 1.00 1.47 C ATOM 0 H THR A 37 8.974 -4.285 -1.386 1.00 0.61 H new ATOM 0 HA THR A 37 7.479 -4.236 0.965 1.00 0.65 H new ATOM 0 HB THR A 37 9.433 -5.710 0.476 1.00 0.79 H new ATOM 0 HG1 THR A 37 10.445 -5.505 2.578 1.00 1.15 H new ATOM 0 HG21 THR A 37 11.736 -4.834 0.691 1.00 1.47 H new ATOM 0 HG22 THR A 37 10.864 -4.081 -0.665 1.00 1.47 H new ATOM 0 HG23 THR A 37 11.085 -3.186 0.857 1.00 1.47 H new ATOM 430 N GLN A 38 8.883 -1.421 0.457 1.00 0.58 N ATOM 431 CA GLN A 38 9.082 -0.079 0.996 1.00 0.56 C ATOM 432 C GLN A 38 7.815 0.441 1.682 1.00 0.50 C ATOM 433 O GLN A 38 7.880 1.260 2.601 1.00 0.47 O ATOM 434 CB GLN A 38 9.542 0.873 -0.106 1.00 0.68 C ATOM 435 CG GLN A 38 10.899 0.502 -0.684 1.00 0.95 C ATOM 436 CD GLN A 38 11.995 0.513 0.365 1.00 1.16 C ATOM 437 OE1 GLN A 38 12.660 1.522 0.573 1.00 1.88 O ATOM 438 NE2 GLN A 38 12.187 -0.613 1.038 1.00 1.52 N ATOM 0 H GLN A 38 8.987 -1.490 -0.555 1.00 0.58 H new ATOM 0 HA GLN A 38 9.863 -0.130 1.754 1.00 0.56 H new ATOM 0 HB2 GLN A 38 8.802 0.878 -0.906 1.00 0.68 H new ATOM 0 HB3 GLN A 38 9.588 1.886 0.293 1.00 0.68 H new ATOM 0 HG2 GLN A 38 10.841 -0.489 -1.135 1.00 0.95 H new ATOM 0 HG3 GLN A 38 11.155 1.200 -1.481 1.00 0.95 H new ATOM 0 HE21 GLN A 38 11.613 -1.432 0.836 1.00 1.52 H new ATOM 0 HE22 GLN A 38 12.908 -0.660 1.758 1.00 1.52 H new ATOM 447 N CYS A 39 6.662 -0.045 1.242 1.00 0.53 N ATOM 448 CA CYS A 39 5.395 0.369 1.823 1.00 0.55 C ATOM 449 C CYS A 39 5.297 -0.044 3.292 1.00 0.46 C ATOM 450 O CYS A 39 4.951 0.759 4.159 1.00 0.47 O ATOM 451 CB CYS A 39 4.236 -0.247 1.033 1.00 0.66 C ATOM 452 SG CYS A 39 4.319 -2.041 0.848 1.00 1.48 S ATOM 0 H CYS A 39 6.579 -0.725 0.486 1.00 0.53 H new ATOM 0 HA CYS A 39 5.337 1.456 1.771 1.00 0.55 H new ATOM 0 HB2 CYS A 39 3.299 0.011 1.528 1.00 0.66 H new ATOM 0 HB3 CYS A 39 4.208 0.206 0.042 1.00 0.66 H new ATOM 0 HG CYS A 39 5.342 -2.354 0.110 1.00 1.48 H new ATOM 458 N LEU A 40 5.637 -1.294 3.566 1.00 0.40 N ATOM 459 CA LEU A 40 5.457 -1.861 4.892 1.00 0.37 C ATOM 460 C LEU A 40 6.426 -1.277 5.913 1.00 0.28 C ATOM 461 O LEU A 40 6.062 -1.100 7.071 1.00 0.30 O ATOM 462 CB LEU A 40 5.531 -3.389 4.849 1.00 0.40 C ATOM 463 CG LEU A 40 6.706 -3.984 4.076 1.00 0.39 C ATOM 464 CD1 LEU A 40 7.934 -4.099 4.969 1.00 0.45 C ATOM 465 CD2 LEU A 40 6.330 -5.342 3.505 1.00 0.48 C ATOM 0 H LEU A 40 6.041 -1.937 2.884 1.00 0.40 H new ATOM 0 HA LEU A 40 4.458 -1.583 5.227 1.00 0.37 H new ATOM 0 HB2 LEU A 40 5.572 -3.759 5.873 1.00 0.40 H new ATOM 0 HB3 LEU A 40 4.607 -3.765 4.411 1.00 0.40 H new ATOM 0 HG LEU A 40 6.948 -3.316 3.249 1.00 0.39 H new ATOM 0 HD11 LEU A 40 8.760 -4.525 4.399 1.00 0.45 H new ATOM 0 HD12 LEU A 40 8.215 -3.110 5.330 1.00 0.45 H new ATOM 0 HD13 LEU A 40 7.708 -4.745 5.818 1.00 0.45 H new ATOM 0 HD21 LEU A 40 7.177 -5.753 2.957 1.00 0.48 H new ATOM 0 HD22 LEU A 40 6.061 -6.017 4.318 1.00 0.48 H new ATOM 0 HD23 LEU A 40 5.481 -5.231 2.830 1.00 0.48 H new ATOM 477 N VAL A 41 7.655 -0.996 5.504 1.00 0.24 N ATOM 478 CA VAL A 41 8.634 -0.427 6.426 1.00 0.23 C ATOM 479 C VAL A 41 8.202 0.944 6.935 1.00 0.24 C ATOM 480 O VAL A 41 8.262 1.200 8.135 1.00 0.26 O ATOM 481 CB VAL A 41 10.042 -0.332 5.812 1.00 0.28 C ATOM 482 CG1 VAL A 41 10.732 -1.686 5.866 1.00 0.31 C ATOM 483 CG2 VAL A 41 9.977 0.168 4.379 1.00 0.33 C ATOM 0 H VAL A 41 7.997 -1.149 4.555 1.00 0.24 H new ATOM 0 HA VAL A 41 8.681 -1.117 7.268 1.00 0.23 H new ATOM 0 HB VAL A 41 10.621 0.383 6.396 1.00 0.28 H new ATOM 0 HG11 VAL A 41 11.727 -1.605 5.429 1.00 0.31 H new ATOM 0 HG12 VAL A 41 10.817 -2.010 6.903 1.00 0.31 H new ATOM 0 HG13 VAL A 41 10.147 -2.415 5.305 1.00 0.31 H new ATOM 0 HG21 VAL A 41 10.985 0.226 3.968 1.00 0.33 H new ATOM 0 HG22 VAL A 41 9.380 -0.520 3.780 1.00 0.33 H new ATOM 0 HG23 VAL A 41 9.519 1.157 4.359 1.00 0.33 H new ATOM 493 N ASP A 42 7.762 1.824 6.040 1.00 0.27 N ATOM 494 CA ASP A 42 7.277 3.139 6.466 1.00 0.32 C ATOM 495 C ASP A 42 6.000 2.988 7.287 1.00 0.30 C ATOM 496 O ASP A 42 5.719 3.782 8.184 1.00 0.31 O ATOM 497 CB ASP A 42 7.060 4.072 5.274 1.00 0.42 C ATOM 498 CG ASP A 42 7.457 5.501 5.605 1.00 1.48 C ATOM 499 OD1 ASP A 42 8.621 5.717 5.999 1.00 2.23 O ATOM 500 OD2 ASP A 42 6.620 6.414 5.461 1.00 1.82 O ATOM 0 H ASP A 42 7.730 1.659 5.034 1.00 0.27 H new ATOM 0 HA ASP A 42 8.042 3.595 7.094 1.00 0.32 H new ATOM 0 HB2 ASP A 42 7.643 3.719 4.424 1.00 0.42 H new ATOM 0 HB3 ASP A 42 6.012 4.044 4.975 1.00 0.42 H new ATOM 505 N ASN A 43 5.240 1.942 6.989 1.00 0.31 N ATOM 506 CA ASN A 43 4.075 1.584 7.786 1.00 0.34 C ATOM 507 C ASN A 43 4.506 1.164 9.194 1.00 0.30 C ATOM 508 O ASN A 43 3.822 1.440 10.175 1.00 0.33 O ATOM 509 CB ASN A 43 3.294 0.460 7.090 1.00 0.42 C ATOM 510 CG ASN A 43 2.779 -0.586 8.053 1.00 0.73 C ATOM 511 OD1 ASN A 43 1.674 -0.481 8.585 1.00 0.98 O ATOM 512 ND2 ASN A 43 3.587 -1.609 8.280 1.00 1.10 N ATOM 0 H ASN A 43 5.412 1.324 6.196 1.00 0.31 H new ATOM 0 HA ASN A 43 3.422 2.451 7.878 1.00 0.34 H new ATOM 0 HB2 ASN A 43 2.453 0.892 6.547 1.00 0.42 H new ATOM 0 HB3 ASN A 43 3.938 -0.019 6.352 1.00 0.42 H new ATOM 0 HD21 ASN A 43 3.302 -2.352 8.918 1.00 1.10 H new ATOM 0 HD22 ASN A 43 4.495 -1.655 7.817 1.00 1.10 H new ATOM 519 N LEU A 44 5.657 0.512 9.279 1.00 0.28 N ATOM 520 CA LEU A 44 6.198 0.053 10.552 1.00 0.31 C ATOM 521 C LEU A 44 6.762 1.249 11.293 1.00 0.34 C ATOM 522 O LEU A 44 6.645 1.360 12.507 1.00 0.48 O ATOM 523 CB LEU A 44 7.244 -1.062 10.310 1.00 0.34 C ATOM 524 CG LEU A 44 8.326 -1.317 11.386 1.00 0.81 C ATOM 525 CD1 LEU A 44 9.432 -0.279 11.334 1.00 0.61 C ATOM 526 CD2 LEU A 44 7.736 -1.377 12.781 1.00 1.93 C ATOM 0 H LEU A 44 6.240 0.287 8.473 1.00 0.28 H new ATOM 0 HA LEU A 44 5.420 -0.388 11.174 1.00 0.31 H new ATOM 0 HB2 LEU A 44 6.702 -1.996 10.160 1.00 0.34 H new ATOM 0 HB3 LEU A 44 7.756 -0.836 9.375 1.00 0.34 H new ATOM 0 HG LEU A 44 8.759 -2.291 11.157 1.00 0.81 H new ATOM 0 HD11 LEU A 44 10.171 -0.495 12.106 1.00 0.61 H new ATOM 0 HD12 LEU A 44 9.911 -0.307 10.355 1.00 0.61 H new ATOM 0 HD13 LEU A 44 9.010 0.711 11.503 1.00 0.61 H new ATOM 0 HD21 LEU A 44 8.531 -1.558 13.505 1.00 1.93 H new ATOM 0 HD22 LEU A 44 7.245 -0.431 13.010 1.00 1.93 H new ATOM 0 HD23 LEU A 44 7.007 -2.186 12.833 1.00 1.93 H new ATOM 538 N LEU A 45 7.342 2.154 10.539 1.00 0.33 N ATOM 539 CA LEU A 45 7.808 3.408 11.082 1.00 0.47 C ATOM 540 C LEU A 45 6.635 4.132 11.749 1.00 0.44 C ATOM 541 O LEU A 45 6.726 4.548 12.904 1.00 0.50 O ATOM 542 CB LEU A 45 8.467 4.211 9.928 1.00 0.66 C ATOM 543 CG LEU A 45 8.493 5.751 9.995 1.00 0.71 C ATOM 544 CD1 LEU A 45 7.149 6.341 9.567 1.00 0.77 C ATOM 545 CD2 LEU A 45 8.905 6.250 11.377 1.00 1.28 C ATOM 0 H LEU A 45 7.503 2.043 9.538 1.00 0.33 H new ATOM 0 HA LEU A 45 8.561 3.270 11.858 1.00 0.47 H new ATOM 0 HB2 LEU A 45 9.499 3.870 9.840 1.00 0.66 H new ATOM 0 HB3 LEU A 45 7.959 3.932 9.004 1.00 0.66 H new ATOM 0 HG LEU A 45 9.250 6.097 9.291 1.00 0.71 H new ATOM 0 HD11 LEU A 45 7.195 7.429 9.623 1.00 0.77 H new ATOM 0 HD12 LEU A 45 6.929 6.040 8.543 1.00 0.77 H new ATOM 0 HD13 LEU A 45 6.364 5.976 10.229 1.00 0.77 H new ATOM 0 HD21 LEU A 45 8.911 7.340 11.383 1.00 1.28 H new ATOM 0 HD22 LEU A 45 8.196 5.887 12.121 1.00 1.28 H new ATOM 0 HD23 LEU A 45 9.902 5.880 11.615 1.00 1.28 H new ATOM 557 N LYS A 46 5.531 4.248 11.029 1.00 0.40 N ATOM 558 CA LYS A 46 4.388 4.998 11.514 1.00 0.46 C ATOM 559 C LYS A 46 3.565 4.238 12.564 1.00 0.47 C ATOM 560 O LYS A 46 3.110 4.829 13.544 1.00 0.59 O ATOM 561 CB LYS A 46 3.509 5.404 10.338 1.00 0.48 C ATOM 562 CG LYS A 46 2.784 6.714 10.574 1.00 0.80 C ATOM 563 CD LYS A 46 3.768 7.850 10.802 1.00 1.37 C ATOM 564 CE LYS A 46 3.066 9.129 11.218 1.00 1.51 C ATOM 565 NZ LYS A 46 2.395 8.994 12.540 1.00 2.32 N ATOM 0 H LYS A 46 5.404 3.832 10.107 1.00 0.40 H new ATOM 0 HA LYS A 46 4.775 5.885 12.016 1.00 0.46 H new ATOM 0 HB2 LYS A 46 4.124 5.490 9.443 1.00 0.48 H new ATOM 0 HB3 LYS A 46 2.778 4.618 10.148 1.00 0.48 H new ATOM 0 HG2 LYS A 46 2.152 6.943 9.716 1.00 0.80 H new ATOM 0 HG3 LYS A 46 2.127 6.619 11.438 1.00 0.80 H new ATOM 0 HD2 LYS A 46 4.484 7.562 11.572 1.00 1.37 H new ATOM 0 HD3 LYS A 46 4.336 8.028 9.889 1.00 1.37 H new ATOM 0 HE2 LYS A 46 3.790 9.942 11.261 1.00 1.51 H new ATOM 0 HE3 LYS A 46 2.328 9.399 10.463 1.00 1.51 H new ATOM 0 HZ1 LYS A 46 2.166 9.938 12.911 1.00 2.32 H new ATOM 0 HZ2 LYS A 46 1.520 8.443 12.430 1.00 2.32 H new ATOM 0 HZ3 LYS A 46 3.030 8.506 13.204 1.00 2.32 H new ATOM 579 N ASN A 47 3.375 2.935 12.371 1.00 0.39 N ATOM 580 CA ASN A 47 2.460 2.173 13.232 1.00 0.45 C ATOM 581 C ASN A 47 3.200 1.390 14.311 1.00 0.42 C ATOM 582 O ASN A 47 2.598 0.920 15.272 1.00 0.51 O ATOM 583 CB ASN A 47 1.615 1.217 12.389 1.00 0.47 C ATOM 584 CG ASN A 47 0.695 1.946 11.427 1.00 0.62 C ATOM 585 OD1 ASN A 47 0.222 3.045 11.713 1.00 1.08 O ATOM 586 ND2 ASN A 47 0.445 1.348 10.271 1.00 1.37 N ATOM 0 H ASN A 47 3.831 2.388 11.641 1.00 0.39 H new ATOM 0 HA ASN A 47 1.814 2.895 13.732 1.00 0.45 H new ATOM 0 HB2 ASN A 47 2.274 0.556 11.826 1.00 0.47 H new ATOM 0 HB3 ASN A 47 1.019 0.586 13.049 1.00 0.47 H new ATOM 0 HD21 ASN A 47 -0.158 1.800 9.583 1.00 1.37 H new ATOM 0 HD22 ASN A 47 0.855 0.436 10.069 1.00 1.37 H new ATOM 593 N ASP A 48 4.504 1.257 14.129 1.00 0.37 N ATOM 594 CA ASP A 48 5.418 0.717 15.144 1.00 0.43 C ATOM 595 C ASP A 48 5.081 -0.718 15.597 1.00 0.42 C ATOM 596 O ASP A 48 5.382 -1.095 16.729 1.00 0.51 O ATOM 597 CB ASP A 48 5.469 1.664 16.351 1.00 0.58 C ATOM 598 CG ASP A 48 6.700 1.455 17.210 1.00 1.13 C ATOM 599 OD1 ASP A 48 7.826 1.697 16.722 1.00 1.12 O ATOM 600 OD2 ASP A 48 6.548 1.047 18.378 1.00 1.90 O ATOM 0 H ASP A 48 4.972 1.523 13.262 1.00 0.37 H new ATOM 0 HA ASP A 48 6.398 0.651 14.672 1.00 0.43 H new ATOM 0 HB2 ASP A 48 5.448 2.695 15.999 1.00 0.58 H new ATOM 0 HB3 ASP A 48 4.577 1.517 16.960 1.00 0.58 H new ATOM 605 N TYR A 49 4.475 -1.526 14.720 1.00 0.42 N ATOM 606 CA TYR A 49 4.303 -2.964 15.010 1.00 0.59 C ATOM 607 C TYR A 49 3.792 -3.765 13.808 1.00 0.69 C ATOM 608 O TYR A 49 3.860 -4.992 13.810 1.00 1.34 O ATOM 609 CB TYR A 49 3.402 -3.223 16.231 1.00 0.72 C ATOM 610 CG TYR A 49 1.963 -2.748 16.110 1.00 0.77 C ATOM 611 CD1 TYR A 49 0.999 -3.530 15.485 1.00 1.04 C ATOM 612 CD2 TYR A 49 1.566 -1.527 16.644 1.00 0.71 C ATOM 613 CE1 TYR A 49 -0.314 -3.109 15.392 1.00 1.22 C ATOM 614 CE2 TYR A 49 0.255 -1.102 16.559 1.00 0.85 C ATOM 615 CZ TYR A 49 -0.681 -1.893 15.930 1.00 1.11 C ATOM 616 OH TYR A 49 -1.990 -1.470 15.844 1.00 1.33 O ATOM 0 H TYR A 49 4.101 -1.223 13.821 1.00 0.42 H new ATOM 0 HA TYR A 49 5.307 -3.318 15.245 1.00 0.59 H new ATOM 0 HB2 TYR A 49 3.394 -4.294 16.431 1.00 0.72 H new ATOM 0 HB3 TYR A 49 3.852 -2.740 17.098 1.00 0.72 H new ATOM 0 HD1 TYR A 49 1.281 -4.484 15.064 1.00 1.04 H new ATOM 0 HD2 TYR A 49 2.296 -0.900 17.134 1.00 0.71 H new ATOM 0 HE1 TYR A 49 -1.049 -3.729 14.901 1.00 1.22 H new ATOM 0 HE2 TYR A 49 -0.036 -0.153 16.984 1.00 0.85 H new ATOM 0 HH TYR A 49 -2.254 -1.413 14.902 1.00 1.33 H new ATOM 626 N PHE A 50 3.286 -3.082 12.788 1.00 0.47 N ATOM 627 CA PHE A 50 2.863 -3.736 11.543 1.00 0.47 C ATOM 628 C PHE A 50 4.061 -4.051 10.656 1.00 0.47 C ATOM 629 O PHE A 50 3.952 -4.098 9.429 1.00 0.62 O ATOM 630 CB PHE A 50 1.885 -2.838 10.794 1.00 0.53 C ATOM 631 CG PHE A 50 0.489 -2.880 11.336 1.00 0.63 C ATOM 632 CD1 PHE A 50 -0.239 -4.057 11.320 1.00 0.67 C ATOM 633 CD2 PHE A 50 -0.091 -1.741 11.868 1.00 0.78 C ATOM 634 CE1 PHE A 50 -1.521 -4.100 11.829 1.00 0.83 C ATOM 635 CE2 PHE A 50 -1.372 -1.779 12.377 1.00 0.92 C ATOM 636 CZ PHE A 50 -2.103 -2.957 12.321 1.00 0.93 C ATOM 0 H PHE A 50 3.156 -2.070 12.793 1.00 0.47 H new ATOM 0 HA PHE A 50 2.372 -4.675 11.799 1.00 0.47 H new ATOM 0 HB2 PHE A 50 2.248 -1.811 10.831 1.00 0.53 H new ATOM 0 HB3 PHE A 50 1.866 -3.132 9.745 1.00 0.53 H new ATOM 0 HD1 PHE A 50 0.201 -4.952 10.905 1.00 0.67 H new ATOM 0 HD2 PHE A 50 0.464 -0.815 11.884 1.00 0.78 H new ATOM 0 HE1 PHE A 50 -2.067 -5.032 11.841 1.00 0.83 H new ATOM 0 HE2 PHE A 50 -1.805 -0.894 12.818 1.00 0.92 H new ATOM 0 HZ PHE A 50 -3.127 -2.975 12.663 1.00 0.93 H new ATOM 646 N SER A 51 5.191 -4.264 11.296 1.00 0.45 N ATOM 647 CA SER A 51 6.421 -4.619 10.638 1.00 0.55 C ATOM 648 C SER A 51 6.392 -6.043 10.109 1.00 0.59 C ATOM 649 O SER A 51 5.392 -6.750 10.241 1.00 0.54 O ATOM 650 CB SER A 51 7.573 -4.452 11.619 1.00 0.62 C ATOM 651 OG SER A 51 7.169 -4.816 12.931 1.00 0.76 O ATOM 0 H SER A 51 5.277 -4.193 12.310 1.00 0.45 H new ATOM 0 HA SER A 51 6.554 -3.958 9.781 1.00 0.55 H new ATOM 0 HB2 SER A 51 8.415 -5.070 11.308 1.00 0.62 H new ATOM 0 HB3 SER A 51 7.916 -3.418 11.612 1.00 0.62 H new ATOM 0 HG SER A 51 7.646 -5.627 13.207 1.00 0.76 H new ATOM 657 N ALA A 52 7.492 -6.437 9.507 1.00 0.72 N ATOM 658 CA ALA A 52 7.680 -7.781 8.976 1.00 0.76 C ATOM 659 C ALA A 52 7.305 -8.895 9.965 1.00 0.71 C ATOM 660 O ALA A 52 6.889 -9.957 9.534 1.00 0.68 O ATOM 661 CB ALA A 52 9.121 -7.955 8.528 1.00 0.94 C ATOM 0 H ALA A 52 8.298 -5.827 9.367 1.00 0.72 H new ATOM 0 HA ALA A 52 6.998 -7.879 8.131 1.00 0.76 H new ATOM 0 HB1 ALA A 52 9.260 -8.961 8.131 1.00 0.94 H new ATOM 0 HB2 ALA A 52 9.352 -7.224 7.753 1.00 0.94 H new ATOM 0 HB3 ALA A 52 9.787 -7.805 9.378 1.00 0.94 H new ATOM 667 N GLU A 53 7.455 -8.688 11.272 1.00 0.76 N ATOM 668 CA GLU A 53 7.036 -9.721 12.229 1.00 0.79 C ATOM 669 C GLU A 53 5.524 -9.955 12.139 1.00 0.67 C ATOM 670 O GLU A 53 5.064 -11.089 11.980 1.00 0.67 O ATOM 671 CB GLU A 53 7.404 -9.336 13.666 1.00 0.92 C ATOM 672 CG GLU A 53 8.874 -9.013 13.867 1.00 1.56 C ATOM 673 CD GLU A 53 9.160 -7.530 13.778 1.00 2.33 C ATOM 674 OE1 GLU A 53 8.908 -6.933 12.714 1.00 3.00 O ATOM 675 OE2 GLU A 53 9.641 -6.954 14.778 1.00 2.87 O ATOM 0 H GLU A 53 7.850 -7.844 11.687 1.00 0.76 H new ATOM 0 HA GLU A 53 7.564 -10.638 11.969 1.00 0.79 H new ATOM 0 HB2 GLU A 53 6.810 -8.471 13.962 1.00 0.92 H new ATOM 0 HB3 GLU A 53 7.129 -10.155 14.331 1.00 0.92 H new ATOM 0 HG2 GLU A 53 9.194 -9.383 14.841 1.00 1.56 H new ATOM 0 HG3 GLU A 53 9.464 -9.539 13.116 1.00 1.56 H new ATOM 682 N ASP A 54 4.765 -8.864 12.187 1.00 0.59 N ATOM 683 CA ASP A 54 3.312 -8.919 12.044 1.00 0.53 C ATOM 684 C ASP A 54 2.963 -9.360 10.635 1.00 0.41 C ATOM 685 O ASP A 54 2.039 -10.144 10.409 1.00 0.38 O ATOM 686 CB ASP A 54 2.703 -7.539 12.337 1.00 0.54 C ATOM 687 CG ASP A 54 1.284 -7.380 11.819 1.00 0.59 C ATOM 688 OD1 ASP A 54 0.338 -7.812 12.508 1.00 0.69 O ATOM 689 OD2 ASP A 54 1.114 -6.806 10.719 1.00 0.65 O ATOM 0 H ASP A 54 5.135 -7.924 12.325 1.00 0.59 H new ATOM 0 HA ASP A 54 2.903 -9.636 12.756 1.00 0.53 H new ATOM 0 HB2 ASP A 54 2.709 -7.369 13.414 1.00 0.54 H new ATOM 0 HB3 ASP A 54 3.333 -6.770 11.889 1.00 0.54 H new ATOM 694 N ALA A 55 3.743 -8.856 9.696 1.00 0.39 N ATOM 695 CA ALA A 55 3.595 -9.184 8.296 1.00 0.35 C ATOM 696 C ALA A 55 3.773 -10.679 8.042 1.00 0.33 C ATOM 697 O ALA A 55 2.927 -11.294 7.403 1.00 0.36 O ATOM 698 CB ALA A 55 4.583 -8.379 7.458 1.00 0.43 C ATOM 0 H ALA A 55 4.502 -8.203 9.889 1.00 0.39 H new ATOM 0 HA ALA A 55 2.579 -8.921 8.000 1.00 0.35 H new ATOM 0 HB1 ALA A 55 4.461 -8.635 6.406 1.00 0.43 H new ATOM 0 HB2 ALA A 55 4.394 -7.314 7.596 1.00 0.43 H new ATOM 0 HB3 ALA A 55 5.601 -8.611 7.772 1.00 0.43 H new ATOM 704 N GLU A 56 4.836 -11.253 8.587 1.00 0.36 N ATOM 705 CA GLU A 56 5.214 -12.635 8.303 1.00 0.41 C ATOM 706 C GLU A 56 4.148 -13.622 8.767 1.00 0.35 C ATOM 707 O GLU A 56 3.909 -14.644 8.116 1.00 0.38 O ATOM 708 CB GLU A 56 6.551 -12.968 8.969 1.00 0.56 C ATOM 709 CG GLU A 56 7.129 -14.308 8.545 1.00 0.96 C ATOM 710 CD GLU A 56 8.382 -14.674 9.311 1.00 1.60 C ATOM 711 OE1 GLU A 56 9.455 -14.119 8.994 1.00 1.81 O ATOM 712 OE2 GLU A 56 8.303 -15.509 10.237 1.00 2.44 O ATOM 0 H GLU A 56 5.461 -10.777 9.237 1.00 0.36 H new ATOM 0 HA GLU A 56 5.311 -12.729 7.221 1.00 0.41 H new ATOM 0 HB2 GLU A 56 7.269 -12.182 8.734 1.00 0.56 H new ATOM 0 HB3 GLU A 56 6.418 -12.966 10.051 1.00 0.56 H new ATOM 0 HG2 GLU A 56 6.379 -15.085 8.692 1.00 0.96 H new ATOM 0 HG3 GLU A 56 7.355 -14.280 7.479 1.00 0.96 H new ATOM 719 N ILE A 57 3.513 -13.325 9.893 1.00 0.35 N ATOM 720 CA ILE A 57 2.490 -14.215 10.427 1.00 0.40 C ATOM 721 C ILE A 57 1.251 -14.218 9.533 1.00 0.38 C ATOM 722 O ILE A 57 0.754 -15.274 9.139 1.00 0.45 O ATOM 723 CB ILE A 57 2.072 -13.815 11.861 1.00 0.48 C ATOM 724 CG1 ILE A 57 3.304 -13.578 12.749 1.00 0.60 C ATOM 725 CG2 ILE A 57 1.173 -14.883 12.471 1.00 0.58 C ATOM 726 CD1 ILE A 57 4.320 -14.700 12.714 1.00 0.67 C ATOM 0 H ILE A 57 3.684 -12.487 10.448 1.00 0.35 H new ATOM 0 HA ILE A 57 2.927 -15.213 10.455 1.00 0.40 H new ATOM 0 HB ILE A 57 1.513 -12.881 11.802 1.00 0.48 H new ATOM 0 HG12 ILE A 57 3.790 -12.653 12.438 1.00 0.60 H new ATOM 0 HG13 ILE A 57 2.974 -13.434 13.778 1.00 0.60 H new ATOM 0 HG21 ILE A 57 0.888 -14.586 13.480 1.00 0.58 H new ATOM 0 HG22 ILE A 57 0.278 -14.997 11.860 1.00 0.58 H new ATOM 0 HG23 ILE A 57 1.709 -15.831 12.510 1.00 0.58 H new ATOM 0 HD11 ILE A 57 5.157 -14.453 13.367 1.00 0.67 H new ATOM 0 HD12 ILE A 57 3.853 -15.624 13.055 1.00 0.67 H new ATOM 0 HD13 ILE A 57 4.682 -14.831 11.694 1.00 0.67 H new ATOM 738 N VAL A 58 0.762 -13.031 9.211 1.00 0.35 N ATOM 739 CA VAL A 58 -0.447 -12.894 8.406 1.00 0.42 C ATOM 740 C VAL A 58 -0.209 -13.252 6.932 1.00 0.45 C ATOM 741 O VAL A 58 -1.063 -13.869 6.299 1.00 0.55 O ATOM 742 CB VAL A 58 -1.030 -11.470 8.509 1.00 0.43 C ATOM 743 CG1 VAL A 58 -2.335 -11.358 7.734 1.00 0.56 C ATOM 744 CG2 VAL A 58 -1.241 -11.080 9.964 1.00 0.43 C ATOM 0 H VAL A 58 1.183 -12.146 9.494 1.00 0.35 H new ATOM 0 HA VAL A 58 -1.168 -13.604 8.812 1.00 0.42 H new ATOM 0 HB VAL A 58 -0.311 -10.780 8.067 1.00 0.43 H new ATOM 0 HG11 VAL A 58 -2.725 -10.344 7.823 1.00 0.56 H new ATOM 0 HG12 VAL A 58 -2.155 -11.587 6.684 1.00 0.56 H new ATOM 0 HG13 VAL A 58 -3.061 -12.063 8.140 1.00 0.56 H new ATOM 0 HG21 VAL A 58 -1.653 -10.072 10.014 1.00 0.43 H new ATOM 0 HG22 VAL A 58 -1.935 -11.779 10.431 1.00 0.43 H new ATOM 0 HG23 VAL A 58 -0.287 -11.109 10.490 1.00 0.43 H new ATOM 754 N CYS A 59 0.954 -12.876 6.397 1.00 0.41 N ATOM 755 CA CYS A 59 1.248 -13.041 4.966 1.00 0.48 C ATOM 756 C CYS A 59 1.265 -14.507 4.549 1.00 0.55 C ATOM 757 O CYS A 59 1.111 -14.817 3.372 1.00 0.63 O ATOM 758 CB CYS A 59 2.576 -12.383 4.587 1.00 0.52 C ATOM 759 SG CYS A 59 4.039 -13.177 5.288 1.00 0.92 S ATOM 0 H CYS A 59 1.712 -12.453 6.933 1.00 0.41 H new ATOM 0 HA CYS A 59 0.441 -12.543 4.429 1.00 0.48 H new ATOM 0 HB2 CYS A 59 2.667 -12.379 3.501 1.00 0.52 H new ATOM 0 HB3 CYS A 59 2.555 -11.342 4.909 1.00 0.52 H new ATOM 0 HG CYS A 59 5.105 -12.541 4.902 1.00 0.92 H new ATOM 765 N ALA A 60 1.477 -15.393 5.521 1.00 0.54 N ATOM 766 CA ALA A 60 1.591 -16.834 5.282 1.00 0.64 C ATOM 767 C ALA A 60 0.519 -17.385 4.329 1.00 0.70 C ATOM 768 O ALA A 60 0.739 -18.402 3.673 1.00 0.78 O ATOM 769 CB ALA A 60 1.546 -17.576 6.609 1.00 0.67 C ATOM 0 H ALA A 60 1.575 -15.132 6.502 1.00 0.54 H new ATOM 0 HA ALA A 60 2.549 -16.997 4.788 1.00 0.64 H new ATOM 0 HB1 ALA A 60 1.631 -18.648 6.430 1.00 0.67 H new ATOM 0 HB2 ALA A 60 2.373 -17.247 7.238 1.00 0.67 H new ATOM 0 HB3 ALA A 60 0.602 -17.366 7.111 1.00 0.67 H new ATOM 775 N CYS A 61 -0.636 -16.731 4.250 1.00 0.69 N ATOM 776 CA CYS A 61 -1.686 -17.165 3.333 1.00 0.76 C ATOM 777 C CYS A 61 -1.829 -16.216 2.124 1.00 0.71 C ATOM 778 O CYS A 61 -1.654 -16.648 0.985 1.00 0.79 O ATOM 779 CB CYS A 61 -3.021 -17.318 4.072 1.00 0.81 C ATOM 780 SG CYS A 61 -2.949 -18.453 5.479 1.00 1.41 S ATOM 0 H CYS A 61 -0.868 -15.906 4.804 1.00 0.69 H new ATOM 0 HA CYS A 61 -1.393 -18.139 2.941 1.00 0.76 H new ATOM 0 HB2 CYS A 61 -3.346 -16.339 4.423 1.00 0.81 H new ATOM 0 HB3 CYS A 61 -3.776 -17.671 3.370 1.00 0.81 H new ATOM 0 HG CYS A 61 -4.118 -18.519 6.044 1.00 1.41 H new ATOM 786 N PRO A 62 -2.138 -14.911 2.336 1.00 0.62 N ATOM 787 CA PRO A 62 -2.357 -13.945 1.244 1.00 0.60 C ATOM 788 C PRO A 62 -1.057 -13.348 0.684 1.00 0.54 C ATOM 789 O PRO A 62 -1.061 -12.293 0.049 1.00 0.49 O ATOM 790 CB PRO A 62 -3.188 -12.838 1.914 1.00 0.58 C ATOM 791 CG PRO A 62 -3.436 -13.291 3.316 1.00 0.60 C ATOM 792 CD PRO A 62 -2.340 -14.259 3.630 1.00 0.57 C ATOM 0 HA PRO A 62 -2.836 -14.422 0.389 1.00 0.60 H new ATOM 0 HB2 PRO A 62 -2.653 -11.888 1.901 1.00 0.58 H new ATOM 0 HB3 PRO A 62 -4.127 -12.682 1.384 1.00 0.58 H new ATOM 0 HG2 PRO A 62 -3.424 -12.448 4.007 1.00 0.60 H new ATOM 0 HG3 PRO A 62 -4.414 -13.764 3.407 1.00 0.60 H new ATOM 0 HD2 PRO A 62 -1.438 -13.756 3.980 1.00 0.57 H new ATOM 0 HD3 PRO A 62 -2.631 -14.969 4.405 1.00 0.57 H new ATOM 800 N THR A 63 0.039 -14.038 0.932 1.00 0.58 N ATOM 801 CA THR A 63 1.384 -13.623 0.527 1.00 0.57 C ATOM 802 C THR A 63 1.766 -12.252 1.097 1.00 0.46 C ATOM 803 O THR A 63 0.977 -11.611 1.803 1.00 0.42 O ATOM 804 CB THR A 63 1.594 -13.649 -1.014 1.00 0.66 C ATOM 805 OG1 THR A 63 0.667 -12.790 -1.692 1.00 0.93 O ATOM 806 CG2 THR A 63 1.452 -15.065 -1.549 1.00 0.94 C ATOM 0 H THR A 63 0.027 -14.926 1.433 1.00 0.58 H new ATOM 0 HA THR A 63 2.054 -14.368 0.956 1.00 0.57 H new ATOM 0 HB THR A 63 2.603 -13.285 -1.206 1.00 0.66 H new ATOM 0 HG1 THR A 63 0.163 -12.268 -1.033 1.00 0.93 H new ATOM 0 HG21 THR A 63 1.602 -15.063 -2.629 1.00 0.94 H new ATOM 0 HG22 THR A 63 2.197 -15.708 -1.080 1.00 0.94 H new ATOM 0 HG23 THR A 63 0.454 -15.441 -1.322 1.00 0.94 H new ATOM 814 N GLN A 64 2.979 -11.812 0.808 1.00 0.46 N ATOM 815 CA GLN A 64 3.487 -10.555 1.348 1.00 0.44 C ATOM 816 C GLN A 64 2.674 -9.340 0.885 1.00 0.40 C ATOM 817 O GLN A 64 2.320 -8.489 1.707 1.00 0.38 O ATOM 818 CB GLN A 64 4.966 -10.384 0.990 1.00 0.55 C ATOM 819 CG GLN A 64 5.656 -9.248 1.735 1.00 0.81 C ATOM 820 CD GLN A 64 7.136 -9.159 1.414 1.00 1.45 C ATOM 821 OE1 GLN A 64 7.774 -10.158 1.088 1.00 2.09 O ATOM 822 NE2 GLN A 64 7.700 -7.966 1.526 1.00 2.22 N ATOM 0 H GLN A 64 3.634 -12.305 0.201 1.00 0.46 H new ATOM 0 HA GLN A 64 3.382 -10.606 2.432 1.00 0.44 H new ATOM 0 HB2 GLN A 64 5.491 -11.316 1.202 1.00 0.55 H new ATOM 0 HB3 GLN A 64 5.052 -10.207 -0.082 1.00 0.55 H new ATOM 0 HG2 GLN A 64 5.174 -8.304 1.479 1.00 0.81 H new ATOM 0 HG3 GLN A 64 5.528 -9.391 2.808 1.00 0.81 H new ATOM 0 HE21 GLN A 64 7.138 -7.160 1.799 1.00 2.22 H new ATOM 0 HE22 GLN A 64 8.696 -7.853 1.339 1.00 2.22 H new ATOM 831 N PRO A 65 2.367 -9.211 -0.417 1.00 0.41 N ATOM 832 CA PRO A 65 1.649 -8.043 -0.917 1.00 0.40 C ATOM 833 C PRO A 65 0.226 -7.877 -0.349 1.00 0.33 C ATOM 834 O PRO A 65 -0.224 -6.747 -0.169 1.00 0.32 O ATOM 835 CB PRO A 65 1.635 -8.243 -2.429 1.00 0.48 C ATOM 836 CG PRO A 65 1.830 -9.701 -2.632 1.00 0.55 C ATOM 837 CD PRO A 65 2.716 -10.144 -1.508 1.00 0.48 C ATOM 0 HA PRO A 65 2.141 -7.122 -0.604 1.00 0.40 H new ATOM 0 HB2 PRO A 65 0.692 -7.908 -2.862 1.00 0.48 H new ATOM 0 HB3 PRO A 65 2.428 -7.669 -2.909 1.00 0.48 H new ATOM 0 HG2 PRO A 65 0.878 -10.231 -2.614 1.00 0.55 H new ATOM 0 HG3 PRO A 65 2.290 -9.905 -3.599 1.00 0.55 H new ATOM 0 HD2 PRO A 65 2.525 -11.180 -1.229 1.00 0.48 H new ATOM 0 HD3 PRO A 65 3.771 -10.075 -1.775 1.00 0.48 H new ATOM 845 N ASP A 66 -0.510 -8.959 -0.064 1.00 0.31 N ATOM 846 CA ASP A 66 -1.821 -8.786 0.568 1.00 0.29 C ATOM 847 C ASP A 66 -1.636 -8.313 2.001 1.00 0.26 C ATOM 848 O ASP A 66 -2.442 -7.558 2.539 1.00 0.26 O ATOM 849 CB ASP A 66 -2.640 -10.066 0.571 1.00 0.34 C ATOM 850 CG ASP A 66 -4.130 -9.801 0.440 1.00 0.68 C ATOM 851 OD1 ASP A 66 -4.763 -9.420 1.450 1.00 1.11 O ATOM 852 OD2 ASP A 66 -4.676 -9.954 -0.671 1.00 1.02 O ATOM 0 H ASP A 66 -0.235 -9.923 -0.251 1.00 0.31 H new ATOM 0 HA ASP A 66 -2.365 -8.045 -0.018 1.00 0.29 H new ATOM 0 HB2 ASP A 66 -2.314 -10.705 -0.250 1.00 0.34 H new ATOM 0 HB3 ASP A 66 -2.451 -10.613 1.495 1.00 0.34 H new ATOM 857 N LYS A 67 -0.555 -8.774 2.620 1.00 0.28 N ATOM 858 CA LYS A 67 -0.238 -8.407 3.991 1.00 0.29 C ATOM 859 C LYS A 67 -0.116 -6.892 4.142 1.00 0.29 C ATOM 860 O LYS A 67 -0.519 -6.331 5.165 1.00 0.33 O ATOM 861 CB LYS A 67 1.048 -9.098 4.449 1.00 0.35 C ATOM 862 CG LYS A 67 1.466 -8.720 5.857 1.00 0.64 C ATOM 863 CD LYS A 67 0.337 -8.937 6.849 1.00 0.79 C ATOM 864 CE LYS A 67 0.666 -8.374 8.223 1.00 1.13 C ATOM 865 NZ LYS A 67 1.215 -7.005 8.147 1.00 1.28 N ATOM 0 H LYS A 67 0.119 -9.406 2.189 1.00 0.28 H new ATOM 0 HA LYS A 67 -1.058 -8.743 4.626 1.00 0.29 H new ATOM 0 HB2 LYS A 67 0.910 -10.178 4.396 1.00 0.35 H new ATOM 0 HB3 LYS A 67 1.853 -8.846 3.759 1.00 0.35 H new ATOM 0 HG2 LYS A 67 2.331 -9.314 6.153 1.00 0.64 H new ATOM 0 HG3 LYS A 67 1.775 -7.675 5.878 1.00 0.64 H new ATOM 0 HD2 LYS A 67 -0.571 -8.466 6.473 1.00 0.79 H new ATOM 0 HD3 LYS A 67 0.131 -10.004 6.935 1.00 0.79 H new ATOM 0 HE2 LYS A 67 -0.235 -8.369 8.837 1.00 1.13 H new ATOM 0 HE3 LYS A 67 1.386 -9.026 8.718 1.00 1.13 H new ATOM 0 HZ1 LYS A 67 1.004 -6.497 9.030 1.00 1.28 H new ATOM 0 HZ2 LYS A 67 2.245 -7.051 8.011 1.00 1.28 H new ATOM 0 HZ3 LYS A 67 0.783 -6.502 7.346 1.00 1.28 H new ATOM 879 N VAL A 68 0.456 -6.227 3.146 1.00 0.27 N ATOM 880 CA VAL A 68 0.529 -4.777 3.184 1.00 0.29 C ATOM 881 C VAL A 68 -0.855 -4.166 3.006 1.00 0.26 C ATOM 882 O VAL A 68 -1.172 -3.167 3.634 1.00 0.28 O ATOM 883 CB VAL A 68 1.543 -4.169 2.190 1.00 0.37 C ATOM 884 CG1 VAL A 68 2.927 -4.734 2.448 1.00 0.47 C ATOM 885 CG2 VAL A 68 1.137 -4.380 0.746 1.00 0.47 C ATOM 0 H VAL A 68 0.868 -6.660 2.319 1.00 0.27 H new ATOM 0 HA VAL A 68 0.909 -4.521 4.173 1.00 0.29 H new ATOM 0 HB VAL A 68 1.557 -3.092 2.356 1.00 0.37 H new ATOM 0 HG11 VAL A 68 3.635 -4.299 1.742 1.00 0.47 H new ATOM 0 HG12 VAL A 68 3.235 -4.493 3.465 1.00 0.47 H new ATOM 0 HG13 VAL A 68 2.907 -5.817 2.322 1.00 0.47 H new ATOM 0 HG21 VAL A 68 1.884 -3.934 0.089 1.00 0.47 H new ATOM 0 HG22 VAL A 68 1.065 -5.448 0.541 1.00 0.47 H new ATOM 0 HG23 VAL A 68 0.170 -3.910 0.568 1.00 0.47 H new ATOM 895 N ARG A 69 -1.693 -4.766 2.169 1.00 0.24 N ATOM 896 CA ARG A 69 -3.087 -4.340 2.090 1.00 0.31 C ATOM 897 C ARG A 69 -3.698 -4.331 3.489 1.00 0.25 C ATOM 898 O ARG A 69 -4.415 -3.406 3.856 1.00 0.25 O ATOM 899 CB ARG A 69 -3.886 -5.263 1.159 1.00 0.47 C ATOM 900 CG ARG A 69 -5.389 -5.298 1.435 1.00 0.63 C ATOM 901 CD ARG A 69 -6.052 -3.941 1.256 1.00 0.92 C ATOM 902 NE ARG A 69 -7.344 -3.855 1.946 1.00 1.48 N ATOM 903 CZ ARG A 69 -8.365 -4.718 1.810 1.00 1.89 C ATOM 904 NH1 ARG A 69 -8.277 -5.769 0.999 1.00 2.21 N ATOM 905 NH2 ARG A 69 -9.475 -4.520 2.504 1.00 2.61 N ATOM 0 H ARG A 69 -1.440 -5.534 1.547 1.00 0.24 H new ATOM 0 HA ARG A 69 -3.126 -3.332 1.676 1.00 0.31 H new ATOM 0 HB2 ARG A 69 -3.726 -4.945 0.129 1.00 0.47 H new ATOM 0 HB3 ARG A 69 -3.490 -6.275 1.245 1.00 0.47 H new ATOM 0 HG2 ARG A 69 -5.860 -6.019 0.766 1.00 0.63 H new ATOM 0 HG3 ARG A 69 -5.559 -5.649 2.453 1.00 0.63 H new ATOM 0 HD2 ARG A 69 -5.389 -3.163 1.634 1.00 0.92 H new ATOM 0 HD3 ARG A 69 -6.197 -3.748 0.193 1.00 0.92 H new ATOM 0 HE ARG A 69 -7.479 -3.071 2.585 1.00 1.48 H new ATOM 0 HH11 ARG A 69 -7.423 -5.932 0.466 1.00 2.21 H new ATOM 0 HH12 ARG A 69 -9.064 -6.412 0.910 1.00 2.21 H new ATOM 0 HH21 ARG A 69 -9.548 -3.720 3.133 1.00 2.61 H new ATOM 0 HH22 ARG A 69 -10.258 -5.167 2.410 1.00 2.61 H new ATOM 919 N LYS A 70 -3.368 -5.347 4.271 1.00 0.24 N ATOM 920 CA LYS A 70 -3.847 -5.461 5.640 1.00 0.26 C ATOM 921 C LYS A 70 -3.327 -4.318 6.516 1.00 0.23 C ATOM 922 O LYS A 70 -4.084 -3.733 7.289 1.00 0.27 O ATOM 923 CB LYS A 70 -3.448 -6.832 6.210 1.00 0.31 C ATOM 924 CG LYS A 70 -3.480 -6.945 7.731 1.00 0.31 C ATOM 925 CD LYS A 70 -2.120 -6.613 8.336 1.00 0.31 C ATOM 926 CE LYS A 70 -1.963 -7.134 9.762 1.00 0.38 C ATOM 927 NZ LYS A 70 -3.001 -6.604 10.687 1.00 0.75 N ATOM 0 H LYS A 70 -2.763 -6.113 3.976 1.00 0.24 H new ATOM 0 HA LYS A 70 -4.934 -5.383 5.638 1.00 0.26 H new ATOM 0 HB2 LYS A 70 -4.114 -7.587 5.793 1.00 0.31 H new ATOM 0 HB3 LYS A 70 -2.441 -7.070 5.866 1.00 0.31 H new ATOM 0 HG2 LYS A 70 -4.235 -6.269 8.133 1.00 0.31 H new ATOM 0 HG3 LYS A 70 -3.772 -7.955 8.017 1.00 0.31 H new ATOM 0 HD2 LYS A 70 -1.336 -7.039 7.710 1.00 0.31 H new ATOM 0 HD3 LYS A 70 -1.980 -5.532 8.332 1.00 0.31 H new ATOM 0 HE2 LYS A 70 -2.012 -8.223 9.754 1.00 0.38 H new ATOM 0 HE3 LYS A 70 -0.976 -6.862 10.137 1.00 0.38 H new ATOM 0 HZ1 LYS A 70 -2.909 -7.067 11.614 1.00 0.75 H new ATOM 0 HZ2 LYS A 70 -2.875 -5.578 10.799 1.00 0.75 H new ATOM 0 HZ3 LYS A 70 -3.945 -6.796 10.296 1.00 0.75 H new ATOM 941 N ILE A 71 -2.042 -3.996 6.400 1.00 0.21 N ATOM 942 CA ILE A 71 -1.463 -2.957 7.245 1.00 0.21 C ATOM 943 C ILE A 71 -2.010 -1.578 6.894 1.00 0.18 C ATOM 944 O ILE A 71 -2.324 -0.789 7.785 1.00 0.20 O ATOM 945 CB ILE A 71 0.085 -2.956 7.247 1.00 0.28 C ATOM 946 CG1 ILE A 71 0.675 -2.950 5.836 1.00 0.43 C ATOM 947 CG2 ILE A 71 0.590 -4.152 8.014 1.00 0.50 C ATOM 948 CD1 ILE A 71 2.191 -3.097 5.784 1.00 0.57 C ATOM 0 H ILE A 71 -1.393 -4.429 5.743 1.00 0.21 H new ATOM 0 HA ILE A 71 -1.771 -3.200 8.262 1.00 0.21 H new ATOM 0 HB ILE A 71 0.411 -2.035 7.731 1.00 0.28 H new ATOM 0 HG12 ILE A 71 0.224 -3.761 5.264 1.00 0.43 H new ATOM 0 HG13 ILE A 71 0.396 -2.019 5.343 1.00 0.43 H new ATOM 0 HG21 ILE A 71 1.680 -4.150 8.015 1.00 0.50 H new ATOM 0 HG22 ILE A 71 0.226 -4.106 9.041 1.00 0.50 H new ATOM 0 HG23 ILE A 71 0.229 -5.066 7.542 1.00 0.50 H new ATOM 0 HD11 ILE A 71 2.523 -3.083 4.746 1.00 0.57 H new ATOM 0 HD12 ILE A 71 2.655 -2.272 6.325 1.00 0.57 H new ATOM 0 HD13 ILE A 71 2.481 -4.042 6.244 1.00 0.57 H new ATOM 960 N LEU A 72 -2.138 -1.290 5.605 1.00 0.19 N ATOM 961 CA LEU A 72 -2.766 -0.046 5.180 1.00 0.24 C ATOM 962 C LEU A 72 -4.246 -0.040 5.554 1.00 0.25 C ATOM 963 O LEU A 72 -4.821 1.009 5.832 1.00 0.29 O ATOM 964 CB LEU A 72 -2.654 0.192 3.681 1.00 0.39 C ATOM 965 CG LEU A 72 -1.274 0.555 3.118 1.00 0.31 C ATOM 966 CD1 LEU A 72 -0.212 -0.477 3.445 1.00 0.53 C ATOM 967 CD2 LEU A 72 -1.393 0.733 1.620 1.00 0.88 C ATOM 0 H LEU A 72 -1.820 -1.892 4.845 1.00 0.19 H new ATOM 0 HA LEU A 72 -2.231 0.752 5.696 1.00 0.24 H new ATOM 0 HB2 LEU A 72 -2.998 -0.708 3.172 1.00 0.39 H new ATOM 0 HB3 LEU A 72 -3.345 0.992 3.416 1.00 0.39 H new ATOM 0 HG LEU A 72 -0.951 1.483 3.591 1.00 0.31 H new ATOM 0 HD11 LEU A 72 0.742 -0.165 3.020 1.00 0.53 H new ATOM 0 HD12 LEU A 72 -0.115 -0.569 4.527 1.00 0.53 H new ATOM 0 HD13 LEU A 72 -0.499 -1.440 3.023 1.00 0.53 H new ATOM 0 HD21 LEU A 72 -0.419 0.992 1.206 1.00 0.88 H new ATOM 0 HD22 LEU A 72 -1.744 -0.196 1.170 1.00 0.88 H new ATOM 0 HD23 LEU A 72 -2.103 1.532 1.404 1.00 0.88 H new ATOM 979 N ASP A 73 -4.865 -1.213 5.542 1.00 0.26 N ATOM 980 CA ASP A 73 -6.297 -1.316 5.812 1.00 0.31 C ATOM 981 C ASP A 73 -6.603 -0.942 7.250 1.00 0.30 C ATOM 982 O ASP A 73 -7.527 -0.175 7.512 1.00 0.34 O ATOM 983 CB ASP A 73 -6.816 -2.728 5.535 1.00 0.37 C ATOM 984 CG ASP A 73 -8.155 -2.708 4.825 1.00 0.58 C ATOM 985 OD1 ASP A 73 -8.253 -2.114 3.736 1.00 0.67 O ATOM 986 OD2 ASP A 73 -9.120 -3.298 5.352 1.00 1.16 O ATOM 0 H ASP A 73 -4.404 -2.102 5.350 1.00 0.26 H new ATOM 0 HA ASP A 73 -6.802 -0.619 5.143 1.00 0.31 H new ATOM 0 HB2 ASP A 73 -6.091 -3.269 4.927 1.00 0.37 H new ATOM 0 HB3 ASP A 73 -6.912 -3.271 6.475 1.00 0.37 H new ATOM 991 N LEU A 74 -5.814 -1.473 8.175 1.00 0.28 N ATOM 992 CA LEU A 74 -6.027 -1.198 9.588 1.00 0.28 C ATOM 993 C LEU A 74 -5.584 0.214 9.946 1.00 0.27 C ATOM 994 O LEU A 74 -6.172 0.854 10.816 1.00 0.31 O ATOM 995 CB LEU A 74 -5.312 -2.226 10.469 1.00 0.30 C ATOM 996 CG LEU A 74 -6.110 -3.507 10.756 1.00 0.37 C ATOM 997 CD1 LEU A 74 -6.361 -4.298 9.482 1.00 0.72 C ATOM 998 CD2 LEU A 74 -5.387 -4.364 11.781 1.00 0.85 C ATOM 0 H LEU A 74 -5.028 -2.091 7.974 1.00 0.28 H new ATOM 0 HA LEU A 74 -7.097 -1.277 9.778 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -4.373 -2.502 9.989 1.00 0.30 H new ATOM 0 HB3 LEU A 74 -5.059 -1.754 11.418 1.00 0.30 H new ATOM 0 HG LEU A 74 -7.078 -3.215 11.164 1.00 0.37 H new ATOM 0 HD11 LEU A 74 -6.928 -5.199 9.719 1.00 0.72 H new ATOM 0 HD12 LEU A 74 -6.928 -3.687 8.780 1.00 0.72 H new ATOM 0 HD13 LEU A 74 -5.408 -4.577 9.033 1.00 0.72 H new ATOM 0 HD21 LEU A 74 -5.966 -5.268 11.973 1.00 0.85 H new ATOM 0 HD22 LEU A 74 -4.404 -4.637 11.398 1.00 0.85 H new ATOM 0 HD23 LEU A 74 -5.272 -3.803 12.708 1.00 0.85 H new ATOM 1010 N VAL A 75 -4.547 0.705 9.274 1.00 0.24 N ATOM 1011 CA VAL A 75 -4.088 2.067 9.501 1.00 0.24 C ATOM 1012 C VAL A 75 -5.099 3.069 8.950 1.00 0.27 C ATOM 1013 O VAL A 75 -5.344 4.118 9.549 1.00 0.30 O ATOM 1014 CB VAL A 75 -2.709 2.353 8.857 1.00 0.23 C ATOM 1015 CG1 VAL A 75 -2.823 2.526 7.361 1.00 0.28 C ATOM 1016 CG2 VAL A 75 -2.076 3.574 9.505 1.00 0.23 C ATOM 0 H VAL A 75 -4.015 0.185 8.576 1.00 0.24 H new ATOM 0 HA VAL A 75 -3.987 2.177 10.581 1.00 0.24 H new ATOM 0 HB VAL A 75 -2.064 1.492 9.031 1.00 0.23 H new ATOM 0 HG11 VAL A 75 -1.837 2.725 6.942 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -3.228 1.616 6.919 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -3.487 3.362 7.141 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -1.107 3.768 9.046 1.00 0.23 H new ATOM 0 HG22 VAL A 75 -2.724 4.439 9.363 1.00 0.23 H new ATOM 0 HG23 VAL A 75 -1.943 3.392 10.571 1.00 0.23 H new ATOM 1026 N GLN A 76 -5.678 2.716 7.801 1.00 0.31 N ATOM 1027 CA GLN A 76 -6.531 3.601 7.021 1.00 0.37 C ATOM 1028 C GLN A 76 -5.746 4.794 6.479 1.00 0.48 C ATOM 1029 O GLN A 76 -5.499 4.876 5.284 1.00 0.94 O ATOM 1030 CB GLN A 76 -7.752 4.056 7.821 1.00 0.40 C ATOM 1031 CG GLN A 76 -8.749 2.935 8.066 1.00 0.94 C ATOM 1032 CD GLN A 76 -9.934 3.370 8.906 1.00 1.07 C ATOM 1033 OE1 GLN A 76 -10.324 4.629 8.783 1.00 1.63 O flip ATOM 1034 NE2 GLN A 76 -10.503 2.573 9.654 1.00 1.56 N flip ATOM 0 H GLN A 76 -5.563 1.792 7.384 1.00 0.31 H new ATOM 0 HA GLN A 76 -6.896 3.030 6.167 1.00 0.37 H new ATOM 0 HB2 GLN A 76 -7.423 4.459 8.779 1.00 0.40 H new ATOM 0 HB3 GLN A 76 -8.248 4.867 7.288 1.00 0.40 H new ATOM 0 HG2 GLN A 76 -9.108 2.560 7.108 1.00 0.94 H new ATOM 0 HG3 GLN A 76 -8.242 2.108 8.563 1.00 0.94 H new ATOM 0 HE21 GLN A 76 -10.172 1.611 9.721 1.00 1.56 H new ATOM 0 HE22 GLN A 76 -11.305 2.876 10.206 1.00 1.56 H new ATOM 1043 N SER A 77 -5.325 5.691 7.355 1.00 0.40 N ATOM 1044 CA SER A 77 -4.701 6.930 6.922 1.00 0.50 C ATOM 1045 C SER A 77 -3.191 6.785 6.688 1.00 0.42 C ATOM 1046 O SER A 77 -2.735 6.823 5.544 1.00 0.39 O ATOM 1047 CB SER A 77 -4.980 8.032 7.945 1.00 0.66 C ATOM 1048 OG SER A 77 -6.377 8.198 8.147 1.00 1.44 O ATOM 0 H SER A 77 -5.403 5.585 8.366 1.00 0.40 H new ATOM 0 HA SER A 77 -5.140 7.197 5.961 1.00 0.50 H new ATOM 0 HB2 SER A 77 -4.499 7.785 8.891 1.00 0.66 H new ATOM 0 HB3 SER A 77 -4.545 8.970 7.602 1.00 0.66 H new ATOM 0 HG SER A 77 -6.823 8.300 7.280 1.00 1.44 H new ATOM 1054 N LYS A 78 -2.414 6.608 7.761 1.00 0.43 N ATOM 1055 CA LYS A 78 -0.952 6.705 7.664 1.00 0.42 C ATOM 1056 C LYS A 78 -0.350 5.707 6.695 1.00 0.45 C ATOM 1057 O LYS A 78 0.339 6.103 5.763 1.00 0.95 O ATOM 1058 CB LYS A 78 -0.270 6.552 9.029 1.00 0.44 C ATOM 1059 CG LYS A 78 -0.578 7.681 10.008 1.00 0.59 C ATOM 1060 CD LYS A 78 -0.776 9.025 9.310 1.00 0.73 C ATOM 1061 CE LYS A 78 0.410 9.402 8.438 1.00 1.17 C ATOM 1062 NZ LYS A 78 0.143 10.631 7.643 1.00 1.13 N ATOM 0 H LYS A 78 -2.766 6.399 8.696 1.00 0.43 H new ATOM 0 HA LYS A 78 -0.765 7.707 7.279 1.00 0.42 H new ATOM 0 HB2 LYS A 78 -0.578 5.606 9.473 1.00 0.44 H new ATOM 0 HB3 LYS A 78 0.808 6.498 8.881 1.00 0.44 H new ATOM 0 HG2 LYS A 78 -1.477 7.433 10.572 1.00 0.59 H new ATOM 0 HG3 LYS A 78 0.237 7.766 10.727 1.00 0.59 H new ATOM 0 HD2 LYS A 78 -1.676 8.984 8.697 1.00 0.73 H new ATOM 0 HD3 LYS A 78 -0.935 9.801 10.059 1.00 0.73 H new ATOM 0 HE2 LYS A 78 1.287 9.559 9.066 1.00 1.17 H new ATOM 0 HE3 LYS A 78 0.643 8.577 7.765 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 0.474 10.492 6.667 1.00 1.13 H new ATOM 0 HZ2 LYS A 78 -0.879 10.826 7.638 1.00 1.13 H new ATOM 0 HZ3 LYS A 78 0.647 11.435 8.068 1.00 1.13 H new ATOM 1076 N GLY A 79 -0.626 4.428 6.898 1.00 0.34 N ATOM 1077 CA GLY A 79 0.049 3.398 6.149 1.00 0.30 C ATOM 1078 C GLY A 79 -0.275 3.499 4.693 1.00 0.30 C ATOM 1079 O GLY A 79 0.607 3.386 3.856 1.00 0.33 O ATOM 0 H GLY A 79 -1.310 4.087 7.573 1.00 0.34 H new ATOM 0 HA2 GLY A 79 1.126 3.484 6.293 1.00 0.30 H new ATOM 0 HA3 GLY A 79 -0.245 2.418 6.524 1.00 0.30 H new ATOM 1083 N GLU A 80 -1.545 3.730 4.399 1.00 0.30 N ATOM 1084 CA GLU A 80 -1.972 3.959 3.020 1.00 0.32 C ATOM 1085 C GLU A 80 -1.145 5.077 2.372 1.00 0.32 C ATOM 1086 O GLU A 80 -0.568 4.893 1.298 1.00 0.34 O ATOM 1087 CB GLU A 80 -3.459 4.333 2.972 1.00 0.34 C ATOM 1088 CG GLU A 80 -3.944 4.648 1.567 1.00 0.42 C ATOM 1089 CD GLU A 80 -5.233 5.452 1.524 1.00 0.52 C ATOM 1090 OE1 GLU A 80 -5.188 6.682 1.733 1.00 1.18 O ATOM 1091 OE2 GLU A 80 -6.309 4.843 1.350 1.00 0.50 O ATOM 0 H GLU A 80 -2.296 3.765 5.088 1.00 0.30 H new ATOM 0 HA GLU A 80 -1.815 3.034 2.465 1.00 0.32 H new ATOM 0 HB2 GLU A 80 -4.048 3.511 3.379 1.00 0.34 H new ATOM 0 HB3 GLU A 80 -3.632 5.197 3.613 1.00 0.34 H new ATOM 0 HG2 GLU A 80 -3.166 5.200 1.040 1.00 0.42 H new ATOM 0 HG3 GLU A 80 -4.093 3.713 1.027 1.00 0.42 H new ATOM 1098 N GLU A 81 -1.041 6.207 3.069 1.00 0.32 N ATOM 1099 CA GLU A 81 -0.366 7.387 2.534 1.00 0.35 C ATOM 1100 C GLU A 81 1.146 7.185 2.449 1.00 0.35 C ATOM 1101 O GLU A 81 1.772 7.506 1.435 1.00 0.38 O ATOM 1102 CB GLU A 81 -0.673 8.600 3.422 1.00 0.40 C ATOM 1103 CG GLU A 81 0.052 9.873 3.004 1.00 0.86 C ATOM 1104 CD GLU A 81 -0.129 11.000 4.000 1.00 0.80 C ATOM 1105 OE1 GLU A 81 0.680 11.095 4.950 1.00 1.09 O ATOM 1106 OE2 GLU A 81 -1.077 11.795 3.843 1.00 1.15 O ATOM 0 H GLU A 81 -1.417 6.330 4.009 1.00 0.32 H new ATOM 0 HA GLU A 81 -0.738 7.557 1.524 1.00 0.35 H new ATOM 0 HB2 GLU A 81 -1.747 8.785 3.408 1.00 0.40 H new ATOM 0 HB3 GLU A 81 -0.403 8.362 4.451 1.00 0.40 H new ATOM 0 HG2 GLU A 81 1.115 9.661 2.890 1.00 0.86 H new ATOM 0 HG3 GLU A 81 -0.315 10.192 2.029 1.00 0.86 H new ATOM 1113 N VAL A 82 1.731 6.643 3.508 1.00 0.33 N ATOM 1114 CA VAL A 82 3.175 6.471 3.563 1.00 0.35 C ATOM 1115 C VAL A 82 3.638 5.375 2.611 1.00 0.35 C ATOM 1116 O VAL A 82 4.706 5.481 2.012 1.00 0.38 O ATOM 1117 CB VAL A 82 3.694 6.200 5.000 1.00 0.38 C ATOM 1118 CG1 VAL A 82 3.427 7.399 5.894 1.00 0.42 C ATOM 1119 CG2 VAL A 82 3.080 4.948 5.609 1.00 0.46 C ATOM 0 H VAL A 82 1.232 6.317 4.335 1.00 0.33 H new ATOM 0 HA VAL A 82 3.607 7.418 3.241 1.00 0.35 H new ATOM 0 HB VAL A 82 4.769 6.034 4.926 1.00 0.38 H new ATOM 0 HG11 VAL A 82 3.797 7.193 6.899 1.00 0.42 H new ATOM 0 HG12 VAL A 82 3.938 8.274 5.491 1.00 0.42 H new ATOM 0 HG13 VAL A 82 2.355 7.591 5.934 1.00 0.42 H new ATOM 0 HG21 VAL A 82 3.475 4.801 6.614 1.00 0.46 H new ATOM 0 HG22 VAL A 82 1.997 5.060 5.657 1.00 0.46 H new ATOM 0 HG23 VAL A 82 3.328 4.084 4.992 1.00 0.46 H new ATOM 1129 N SER A 83 2.819 4.340 2.454 1.00 0.34 N ATOM 1130 CA SER A 83 3.172 3.204 1.613 1.00 0.36 C ATOM 1131 C SER A 83 3.314 3.595 0.152 1.00 0.33 C ATOM 1132 O SER A 83 4.319 3.268 -0.484 1.00 0.32 O ATOM 1133 CB SER A 83 2.102 2.124 1.725 1.00 0.42 C ATOM 1134 OG SER A 83 2.206 1.433 2.955 1.00 1.28 O ATOM 0 H SER A 83 1.905 4.266 2.900 1.00 0.34 H new ATOM 0 HA SER A 83 4.134 2.832 1.965 1.00 0.36 H new ATOM 0 HB2 SER A 83 1.114 2.576 1.640 1.00 0.42 H new ATOM 0 HB3 SER A 83 2.203 1.420 0.899 1.00 0.42 H new ATOM 0 HG SER A 83 1.684 1.902 3.639 1.00 1.28 H new ATOM 1140 N GLU A 84 2.326 4.311 -0.376 1.00 0.32 N ATOM 1141 CA GLU A 84 2.357 4.689 -1.778 1.00 0.33 C ATOM 1142 C GLU A 84 3.495 5.661 -2.031 1.00 0.30 C ATOM 1143 O GLU A 84 4.271 5.486 -2.962 1.00 0.36 O ATOM 1144 CB GLU A 84 1.012 5.280 -2.238 1.00 0.37 C ATOM 1145 CG GLU A 84 0.486 6.413 -1.367 1.00 0.34 C ATOM 1146 CD GLU A 84 -0.794 7.022 -1.907 1.00 0.51 C ATOM 1147 OE1 GLU A 84 -1.814 6.308 -1.984 1.00 0.79 O ATOM 1148 OE2 GLU A 84 -0.784 8.225 -2.248 1.00 0.72 O ATOM 0 H GLU A 84 1.508 4.635 0.139 1.00 0.32 H new ATOM 0 HA GLU A 84 2.528 3.788 -2.367 1.00 0.33 H new ATOM 0 HB2 GLU A 84 1.121 5.645 -3.259 1.00 0.37 H new ATOM 0 HB3 GLU A 84 0.269 4.483 -2.262 1.00 0.37 H new ATOM 0 HG2 GLU A 84 0.308 6.038 -0.359 1.00 0.34 H new ATOM 0 HG3 GLU A 84 1.248 7.189 -1.289 1.00 0.34 H new ATOM 1155 N PHE A 85 3.620 6.651 -1.166 1.00 0.26 N ATOM 1156 CA PHE A 85 4.628 7.680 -1.339 1.00 0.25 C ATOM 1157 C PHE A 85 6.041 7.105 -1.233 1.00 0.23 C ATOM 1158 O PHE A 85 6.867 7.327 -2.111 1.00 0.24 O ATOM 1159 CB PHE A 85 4.420 8.778 -0.292 1.00 0.28 C ATOM 1160 CG PHE A 85 5.396 9.914 -0.396 1.00 0.36 C ATOM 1161 CD1 PHE A 85 5.439 10.707 -1.532 1.00 0.46 C ATOM 1162 CD2 PHE A 85 6.276 10.183 0.638 1.00 0.44 C ATOM 1163 CE1 PHE A 85 6.340 11.749 -1.632 1.00 0.57 C ATOM 1164 CE2 PHE A 85 7.180 11.222 0.543 1.00 0.54 C ATOM 1165 CZ PHE A 85 7.191 12.027 -0.581 1.00 0.59 C ATOM 0 H PHE A 85 3.036 6.764 -0.337 1.00 0.26 H new ATOM 0 HA PHE A 85 4.521 8.102 -2.338 1.00 0.25 H new ATOM 0 HB2 PHE A 85 3.408 9.172 -0.390 1.00 0.28 H new ATOM 0 HB3 PHE A 85 4.496 8.337 0.702 1.00 0.28 H new ATOM 0 HD1 PHE A 85 4.760 10.508 -2.348 1.00 0.46 H new ATOM 0 HD2 PHE A 85 6.255 9.573 1.529 1.00 0.44 H new ATOM 0 HE1 PHE A 85 6.379 12.346 -2.531 1.00 0.57 H new ATOM 0 HE2 PHE A 85 7.878 11.406 1.346 1.00 0.54 H new ATOM 0 HZ PHE A 85 7.863 12.871 -0.637 1.00 0.59 H new ATOM 1175 N PHE A 86 6.292 6.321 -0.189 1.00 0.23 N ATOM 1176 CA PHE A 86 7.642 5.849 0.111 1.00 0.27 C ATOM 1177 C PHE A 86 8.119 4.802 -0.897 1.00 0.29 C ATOM 1178 O PHE A 86 9.244 4.880 -1.395 1.00 0.33 O ATOM 1179 CB PHE A 86 7.692 5.282 1.531 1.00 0.30 C ATOM 1180 CG PHE A 86 9.084 5.061 2.050 1.00 0.61 C ATOM 1181 CD1 PHE A 86 9.807 6.107 2.599 1.00 1.18 C ATOM 1182 CD2 PHE A 86 9.667 3.809 1.991 1.00 1.04 C ATOM 1183 CE1 PHE A 86 11.087 5.908 3.078 1.00 1.58 C ATOM 1184 CE2 PHE A 86 10.944 3.604 2.468 1.00 1.45 C ATOM 1185 CZ PHE A 86 11.655 4.653 3.012 1.00 1.58 C ATOM 0 H PHE A 86 5.579 5.998 0.465 1.00 0.23 H new ATOM 0 HA PHE A 86 8.317 6.702 0.037 1.00 0.27 H new ATOM 0 HB2 PHE A 86 7.169 5.963 2.202 1.00 0.30 H new ATOM 0 HB3 PHE A 86 7.152 4.335 1.553 1.00 0.30 H new ATOM 0 HD1 PHE A 86 9.364 7.091 2.653 1.00 1.18 H new ATOM 0 HD2 PHE A 86 9.116 2.983 1.567 1.00 1.04 H new ATOM 0 HE1 PHE A 86 11.641 6.732 3.503 1.00 1.58 H new ATOM 0 HE2 PHE A 86 11.388 2.621 2.416 1.00 1.45 H new ATOM 0 HZ PHE A 86 12.655 4.492 3.386 1.00 1.58 H new ATOM 1195 N LEU A 87 7.271 3.828 -1.205 1.00 0.31 N ATOM 1196 CA LEU A 87 7.670 2.752 -2.108 1.00 0.36 C ATOM 1197 C LEU A 87 7.900 3.314 -3.510 1.00 0.35 C ATOM 1198 O LEU A 87 8.766 2.845 -4.247 1.00 0.39 O ATOM 1199 CB LEU A 87 6.637 1.599 -2.100 1.00 0.40 C ATOM 1200 CG LEU A 87 5.570 1.607 -3.204 1.00 0.60 C ATOM 1201 CD1 LEU A 87 6.063 0.859 -4.438 1.00 0.93 C ATOM 1202 CD2 LEU A 87 4.279 0.984 -2.694 1.00 0.83 C ATOM 0 H LEU A 87 6.317 3.759 -0.850 1.00 0.31 H new ATOM 0 HA LEU A 87 8.609 2.324 -1.758 1.00 0.36 H new ATOM 0 HB2 LEU A 87 7.181 0.657 -2.163 1.00 0.40 H new ATOM 0 HB3 LEU A 87 6.127 1.609 -1.137 1.00 0.40 H new ATOM 0 HG LEU A 87 5.376 2.642 -3.484 1.00 0.60 H new ATOM 0 HD11 LEU A 87 5.291 0.877 -5.207 1.00 0.93 H new ATOM 0 HD12 LEU A 87 6.965 1.338 -4.818 1.00 0.93 H new ATOM 0 HD13 LEU A 87 6.286 -0.174 -4.172 1.00 0.93 H new ATOM 0 HD21 LEU A 87 3.531 0.996 -3.487 1.00 0.83 H new ATOM 0 HD22 LEU A 87 4.467 -0.045 -2.389 1.00 0.83 H new ATOM 0 HD23 LEU A 87 3.912 1.554 -1.841 1.00 0.83 H new ATOM 1214 N TYR A 88 7.123 4.334 -3.856 1.00 0.34 N ATOM 1215 CA TYR A 88 7.277 5.044 -5.120 1.00 0.37 C ATOM 1216 C TYR A 88 8.527 5.909 -5.123 1.00 0.40 C ATOM 1217 O TYR A 88 9.115 6.121 -6.176 1.00 0.44 O ATOM 1218 CB TYR A 88 6.042 5.885 -5.443 1.00 0.45 C ATOM 1219 CG TYR A 88 4.848 5.067 -5.881 1.00 0.51 C ATOM 1220 CD1 TYR A 88 4.995 3.747 -6.284 1.00 0.53 C ATOM 1221 CD2 TYR A 88 3.573 5.617 -5.894 1.00 0.69 C ATOM 1222 CE1 TYR A 88 3.909 2.999 -6.689 1.00 0.65 C ATOM 1223 CE2 TYR A 88 2.480 4.876 -6.296 1.00 0.79 C ATOM 1224 CZ TYR A 88 2.652 3.569 -6.692 1.00 0.74 C ATOM 1225 OH TYR A 88 1.565 2.830 -7.096 1.00 0.89 O ATOM 0 H TYR A 88 6.369 4.692 -3.269 1.00 0.34 H new ATOM 0 HA TYR A 88 7.386 4.290 -5.900 1.00 0.37 H new ATOM 0 HB2 TYR A 88 5.769 6.467 -4.563 1.00 0.45 H new ATOM 0 HB3 TYR A 88 6.293 6.596 -6.230 1.00 0.45 H new ATOM 0 HD1 TYR A 88 5.977 3.298 -6.280 1.00 0.53 H new ATOM 0 HD2 TYR A 88 3.434 6.642 -5.584 1.00 0.69 H new ATOM 0 HE1 TYR A 88 4.042 1.974 -7.002 1.00 0.65 H new ATOM 0 HE2 TYR A 88 1.495 5.319 -6.300 1.00 0.79 H new ATOM 0 HH TYR A 88 1.459 2.908 -8.067 1.00 0.89 H new ATOM 1235 N LEU A 89 8.909 6.444 -3.964 1.00 0.41 N ATOM 1236 CA LEU A 89 10.144 7.221 -3.866 1.00 0.50 C ATOM 1237 C LEU A 89 11.290 6.416 -4.454 1.00 0.47 C ATOM 1238 O LEU A 89 12.091 6.927 -5.241 1.00 0.48 O ATOM 1239 CB LEU A 89 10.470 7.568 -2.408 1.00 0.66 C ATOM 1240 CG LEU A 89 9.458 8.465 -1.703 1.00 0.70 C ATOM 1241 CD1 LEU A 89 9.818 8.629 -0.238 1.00 1.41 C ATOM 1242 CD2 LEU A 89 9.388 9.822 -2.381 1.00 1.23 C ATOM 0 H LEU A 89 8.389 6.356 -3.091 1.00 0.41 H new ATOM 0 HA LEU A 89 10.008 8.151 -4.419 1.00 0.50 H new ATOM 0 HB2 LEU A 89 10.561 6.640 -1.844 1.00 0.66 H new ATOM 0 HB3 LEU A 89 11.444 8.056 -2.378 1.00 0.66 H new ATOM 0 HG LEU A 89 8.479 7.991 -1.768 1.00 0.70 H new ATOM 0 HD11 LEU A 89 9.084 9.272 0.247 1.00 1.41 H new ATOM 0 HD12 LEU A 89 9.822 7.653 0.247 1.00 1.41 H new ATOM 0 HD13 LEU A 89 10.807 9.080 -0.155 1.00 1.41 H new ATOM 0 HD21 LEU A 89 8.661 10.449 -1.865 1.00 1.23 H new ATOM 0 HD22 LEU A 89 10.368 10.298 -2.345 1.00 1.23 H new ATOM 0 HD23 LEU A 89 9.084 9.694 -3.420 1.00 1.23 H new ATOM 1254 N LEU A 90 11.364 5.158 -4.053 1.00 0.46 N ATOM 1255 CA LEU A 90 12.293 4.216 -4.655 1.00 0.46 C ATOM 1256 C LEU A 90 11.896 3.864 -6.096 1.00 0.40 C ATOM 1257 O LEU A 90 12.743 3.828 -6.986 1.00 0.42 O ATOM 1258 CB LEU A 90 12.396 2.937 -3.810 1.00 0.54 C ATOM 1259 CG LEU A 90 13.267 3.036 -2.548 1.00 0.82 C ATOM 1260 CD1 LEU A 90 14.682 3.462 -2.906 1.00 1.33 C ATOM 1261 CD2 LEU A 90 12.661 3.997 -1.534 1.00 1.59 C ATOM 0 H LEU A 90 10.788 4.764 -3.309 1.00 0.46 H new ATOM 0 HA LEU A 90 13.268 4.702 -4.685 1.00 0.46 H new ATOM 0 HB2 LEU A 90 11.391 2.639 -3.512 1.00 0.54 H new ATOM 0 HB3 LEU A 90 12.791 2.140 -4.439 1.00 0.54 H new ATOM 0 HG LEU A 90 13.307 2.047 -2.091 1.00 0.82 H new ATOM 0 HD11 LEU A 90 15.283 3.526 -1.999 1.00 1.33 H new ATOM 0 HD12 LEU A 90 15.123 2.729 -3.582 1.00 1.33 H new ATOM 0 HD13 LEU A 90 14.656 4.436 -3.394 1.00 1.33 H new ATOM 0 HD21 LEU A 90 13.300 4.046 -0.652 1.00 1.59 H new ATOM 0 HD22 LEU A 90 12.578 4.989 -1.977 1.00 1.59 H new ATOM 0 HD23 LEU A 90 11.671 3.645 -1.246 1.00 1.59 H new ATOM 1273 N GLN A 91 10.605 3.598 -6.318 1.00 0.36 N ATOM 1274 CA GLN A 91 10.159 2.993 -7.573 1.00 0.35 C ATOM 1275 C GLN A 91 10.074 3.988 -8.750 1.00 0.34 C ATOM 1276 O GLN A 91 10.683 3.748 -9.791 1.00 0.40 O ATOM 1277 CB GLN A 91 8.812 2.293 -7.347 1.00 0.38 C ATOM 1278 CG GLN A 91 8.613 1.023 -8.148 1.00 0.72 C ATOM 1279 CD GLN A 91 8.110 1.298 -9.544 1.00 1.14 C ATOM 1280 OE1 GLN A 91 9.008 1.337 -10.509 1.00 1.74 O flip ATOM 1281 NE2 GLN A 91 6.908 1.442 -9.756 1.00 1.70 N flip ATOM 0 H GLN A 91 9.858 3.791 -5.651 1.00 0.36 H new ATOM 0 HA GLN A 91 10.917 2.266 -7.866 1.00 0.35 H new ATOM 0 HB2 GLN A 91 8.715 2.056 -6.287 1.00 0.38 H new ATOM 0 HB3 GLN A 91 8.011 2.990 -7.593 1.00 0.38 H new ATOM 0 HG2 GLN A 91 9.557 0.481 -8.205 1.00 0.72 H new ATOM 0 HG3 GLN A 91 7.904 0.377 -7.630 1.00 0.72 H new ATOM 0 HE21 GLN A 91 6.245 1.405 -8.981 1.00 1.70 H new ATOM 0 HE22 GLN A 91 6.573 1.598 -10.707 1.00 1.70 H new ATOM 1290 N GLN A 92 9.381 5.119 -8.551 1.00 0.31 N ATOM 1291 CA GLN A 92 9.114 6.129 -9.601 1.00 0.36 C ATOM 1292 C GLN A 92 7.937 7.011 -9.193 1.00 0.39 C ATOM 1293 O GLN A 92 6.778 6.651 -9.401 1.00 0.42 O ATOM 1294 CB GLN A 92 8.807 5.503 -10.983 1.00 0.43 C ATOM 1295 CG GLN A 92 7.876 4.303 -10.932 1.00 0.46 C ATOM 1296 CD GLN A 92 7.840 3.530 -12.231 1.00 0.62 C ATOM 1297 OE1 GLN A 92 6.794 2.751 -12.412 1.00 0.87 O flip ATOM 1298 NE2 GLN A 92 8.777 3.575 -13.024 1.00 0.87 N flip ATOM 0 H GLN A 92 8.982 5.367 -7.645 1.00 0.31 H new ATOM 0 HA GLN A 92 10.027 6.717 -9.697 1.00 0.36 H new ATOM 0 HB2 GLN A 92 8.364 6.265 -11.624 1.00 0.43 H new ATOM 0 HB3 GLN A 92 9.745 5.201 -11.449 1.00 0.43 H new ATOM 0 HG2 GLN A 92 8.192 3.638 -10.128 1.00 0.46 H new ATOM 0 HG3 GLN A 92 6.869 4.641 -10.688 1.00 0.46 H new ATOM 0 HE21 GLN A 92 9.568 4.193 -12.844 1.00 0.87 H new ATOM 0 HE22 GLN A 92 8.764 2.994 -13.862 1.00 0.87 H new ATOM 1307 N LEU A 93 8.231 8.165 -8.613 1.00 0.48 N ATOM 1308 CA LEU A 93 7.186 9.130 -8.281 1.00 0.61 C ATOM 1309 C LEU A 93 6.488 9.575 -9.552 1.00 0.61 C ATOM 1310 O LEU A 93 5.262 9.660 -9.617 1.00 0.66 O ATOM 1311 CB LEU A 93 7.753 10.370 -7.572 1.00 0.80 C ATOM 1312 CG LEU A 93 8.331 10.154 -6.170 1.00 0.78 C ATOM 1313 CD1 LEU A 93 7.370 9.347 -5.312 1.00 1.28 C ATOM 1314 CD2 LEU A 93 9.697 9.490 -6.242 1.00 1.60 C ATOM 0 H LEU A 93 9.176 8.457 -8.363 1.00 0.48 H new ATOM 0 HA LEU A 93 6.487 8.638 -7.605 1.00 0.61 H new ATOM 0 HB2 LEU A 93 8.535 10.794 -8.201 1.00 0.80 H new ATOM 0 HB3 LEU A 93 6.960 11.115 -7.503 1.00 0.80 H new ATOM 0 HG LEU A 93 8.462 11.129 -5.700 1.00 0.78 H new ATOM 0 HD11 LEU A 93 7.799 9.205 -4.320 1.00 1.28 H new ATOM 0 HD12 LEU A 93 6.424 9.881 -5.225 1.00 1.28 H new ATOM 0 HD13 LEU A 93 7.197 8.376 -5.775 1.00 1.28 H new ATOM 0 HD21 LEU A 93 10.086 9.348 -5.234 1.00 1.60 H new ATOM 0 HD22 LEU A 93 9.606 8.523 -6.736 1.00 1.60 H new ATOM 0 HD23 LEU A 93 10.380 10.123 -6.808 1.00 1.60 H new ATOM 1326 N ALA A 94 7.290 9.823 -10.572 1.00 0.63 N ATOM 1327 CA ALA A 94 6.790 10.349 -11.824 1.00 0.73 C ATOM 1328 C ALA A 94 5.914 9.339 -12.552 1.00 0.71 C ATOM 1329 O ALA A 94 4.808 9.662 -12.985 1.00 0.78 O ATOM 1330 CB ALA A 94 7.955 10.768 -12.701 1.00 0.79 C ATOM 0 H ALA A 94 8.298 9.666 -10.554 1.00 0.63 H new ATOM 0 HA ALA A 94 6.168 11.217 -11.603 1.00 0.73 H new ATOM 0 HB1 ALA A 94 7.577 11.164 -13.644 1.00 0.79 H new ATOM 0 HB2 ALA A 94 8.536 11.537 -12.191 1.00 0.79 H new ATOM 0 HB3 ALA A 94 8.590 9.905 -12.899 1.00 0.79 H new ATOM 1336 N ASP A 95 6.406 8.113 -12.688 1.00 0.65 N ATOM 1337 CA ASP A 95 5.685 7.111 -13.459 1.00 0.67 C ATOM 1338 C ASP A 95 4.568 6.461 -12.651 1.00 0.68 C ATOM 1339 O ASP A 95 3.432 6.385 -13.104 1.00 0.71 O ATOM 1340 CB ASP A 95 6.630 6.039 -14.004 1.00 0.67 C ATOM 1341 CG ASP A 95 5.976 5.195 -15.088 1.00 0.78 C ATOM 1342 OD1 ASP A 95 5.827 5.673 -16.233 1.00 0.88 O ATOM 1343 OD2 ASP A 95 5.594 4.044 -14.793 1.00 0.87 O ATOM 0 H ASP A 95 7.286 7.794 -12.282 1.00 0.65 H new ATOM 0 HA ASP A 95 5.231 7.635 -14.300 1.00 0.67 H new ATOM 0 HB2 ASP A 95 7.524 6.515 -14.406 1.00 0.67 H new ATOM 0 HB3 ASP A 95 6.953 5.393 -13.188 1.00 0.67 H new ATOM 1348 N ALA A 96 4.890 6.010 -11.446 1.00 0.67 N ATOM 1349 CA ALA A 96 3.948 5.232 -10.647 1.00 0.72 C ATOM 1350 C ALA A 96 2.926 6.099 -9.912 1.00 0.75 C ATOM 1351 O ALA A 96 1.728 5.814 -9.946 1.00 0.83 O ATOM 1352 CB ALA A 96 4.695 4.354 -9.665 1.00 0.74 C ATOM 0 H ALA A 96 5.793 6.168 -11.000 1.00 0.67 H new ATOM 0 HA ALA A 96 3.386 4.610 -11.343 1.00 0.72 H new ATOM 0 HB1 ALA A 96 3.981 3.779 -9.075 1.00 0.74 H new ATOM 0 HB2 ALA A 96 5.348 3.672 -10.210 1.00 0.74 H new ATOM 0 HB3 ALA A 96 5.294 4.978 -9.002 1.00 0.74 H new ATOM 1358 N TYR A 97 3.392 7.150 -9.240 1.00 0.72 N ATOM 1359 CA TYR A 97 2.530 7.905 -8.331 1.00 0.76 C ATOM 1360 C TYR A 97 1.502 8.736 -9.099 1.00 0.86 C ATOM 1361 O TYR A 97 0.307 8.691 -8.799 1.00 0.96 O ATOM 1362 CB TYR A 97 3.381 8.815 -7.431 1.00 0.71 C ATOM 1363 CG TYR A 97 2.738 9.167 -6.104 1.00 0.72 C ATOM 1364 CD1 TYR A 97 1.427 9.622 -6.029 1.00 0.90 C ATOM 1365 CD2 TYR A 97 3.451 9.029 -4.921 1.00 0.84 C ATOM 1366 CE1 TYR A 97 0.851 9.935 -4.813 1.00 1.02 C ATOM 1367 CE2 TYR A 97 2.881 9.339 -3.704 1.00 0.96 C ATOM 1368 CZ TYR A 97 1.583 9.791 -3.654 1.00 0.98 C ATOM 1369 OH TYR A 97 1.010 10.089 -2.439 1.00 1.18 O ATOM 0 H TYR A 97 4.349 7.496 -9.306 1.00 0.72 H new ATOM 0 HA TYR A 97 1.988 7.191 -7.711 1.00 0.76 H new ATOM 0 HB2 TYR A 97 4.335 8.325 -7.239 1.00 0.71 H new ATOM 0 HB3 TYR A 97 3.599 9.737 -7.970 1.00 0.71 H new ATOM 0 HD1 TYR A 97 0.850 9.733 -6.935 1.00 0.90 H new ATOM 0 HD2 TYR A 97 4.470 8.673 -4.954 1.00 0.84 H new ATOM 0 HE1 TYR A 97 -0.168 10.291 -4.771 1.00 1.02 H new ATOM 0 HE2 TYR A 97 3.452 9.227 -2.794 1.00 0.96 H new ATOM 0 HH TYR A 97 0.168 9.597 -2.345 1.00 1.18 H new ATOM 1379 N VAL A 98 1.963 9.486 -10.090 1.00 0.91 N ATOM 1380 CA VAL A 98 1.074 10.347 -10.870 1.00 1.11 C ATOM 1381 C VAL A 98 0.062 9.525 -11.675 1.00 1.30 C ATOM 1382 O VAL A 98 -1.090 9.924 -11.847 1.00 1.35 O ATOM 1383 CB VAL A 98 1.878 11.255 -11.827 1.00 1.24 C ATOM 1384 CG1 VAL A 98 0.966 12.259 -12.519 1.00 1.74 C ATOM 1385 CG2 VAL A 98 2.996 11.968 -11.078 1.00 1.72 C ATOM 0 H VAL A 98 2.942 9.519 -10.375 1.00 0.91 H new ATOM 0 HA VAL A 98 0.531 10.971 -10.160 1.00 1.11 H new ATOM 0 HB VAL A 98 2.328 10.625 -12.594 1.00 1.24 H new ATOM 0 HG11 VAL A 98 1.556 12.886 -13.187 1.00 1.74 H new ATOM 0 HG12 VAL A 98 0.209 11.726 -13.095 1.00 1.74 H new ATOM 0 HG13 VAL A 98 0.479 12.884 -11.771 1.00 1.74 H new ATOM 0 HG21 VAL A 98 3.550 12.602 -11.770 1.00 1.72 H new ATOM 0 HG22 VAL A 98 2.569 12.582 -10.285 1.00 1.72 H new ATOM 0 HG23 VAL A 98 3.670 11.231 -10.642 1.00 1.72 H new ATOM 1395 N ASP A 99 0.501 8.370 -12.155 1.00 1.46 N ATOM 1396 CA ASP A 99 -0.329 7.501 -12.992 1.00 1.66 C ATOM 1397 C ASP A 99 -1.383 6.757 -12.169 1.00 1.52 C ATOM 1398 O ASP A 99 -2.292 6.152 -12.721 1.00 1.56 O ATOM 1399 CB ASP A 99 0.543 6.502 -13.755 1.00 2.08 C ATOM 1400 CG ASP A 99 -0.011 6.167 -15.128 1.00 2.73 C ATOM 1401 OD1 ASP A 99 -0.002 7.060 -16.004 1.00 3.22 O ATOM 1402 OD2 ASP A 99 -0.443 5.016 -15.349 1.00 3.00 O ATOM 0 H ASP A 99 1.437 8.006 -11.979 1.00 1.46 H new ATOM 0 HA ASP A 99 -0.852 8.138 -13.705 1.00 1.66 H new ATOM 0 HB2 ASP A 99 1.547 6.912 -13.863 1.00 2.08 H new ATOM 0 HB3 ASP A 99 0.634 5.586 -13.171 1.00 2.08 H new ATOM 1407 N LEU A 100 -1.238 6.794 -10.847 1.00 1.45 N ATOM 1408 CA LEU A 100 -2.054 5.984 -9.936 1.00 1.47 C ATOM 1409 C LEU A 100 -3.566 6.229 -10.078 1.00 1.29 C ATOM 1410 O LEU A 100 -4.369 5.366 -9.717 1.00 1.31 O ATOM 1411 CB LEU A 100 -1.645 6.256 -8.486 1.00 1.67 C ATOM 1412 CG LEU A 100 -2.267 5.321 -7.451 1.00 1.93 C ATOM 1413 CD1 LEU A 100 -1.524 3.997 -7.408 1.00 2.62 C ATOM 1414 CD2 LEU A 100 -2.295 5.979 -6.081 1.00 2.05 C ATOM 0 H LEU A 100 -0.554 7.384 -10.374 1.00 1.45 H new ATOM 0 HA LEU A 100 -1.868 4.945 -10.209 1.00 1.47 H new ATOM 0 HB2 LEU A 100 -0.560 6.185 -8.411 1.00 1.67 H new ATOM 0 HB3 LEU A 100 -1.915 7.282 -8.235 1.00 1.67 H new ATOM 0 HG LEU A 100 -3.296 5.118 -7.746 1.00 1.93 H new ATOM 0 HD11 LEU A 100 -1.983 3.346 -6.664 1.00 2.62 H new ATOM 0 HD12 LEU A 100 -1.573 3.520 -8.387 1.00 2.62 H new ATOM 0 HD13 LEU A 100 -0.482 4.173 -7.142 1.00 2.62 H new ATOM 0 HD21 LEU A 100 -2.742 5.296 -5.358 1.00 2.05 H new ATOM 0 HD22 LEU A 100 -1.278 6.219 -5.772 1.00 2.05 H new ATOM 0 HD23 LEU A 100 -2.885 6.894 -6.129 1.00 2.05 H new ATOM 1426 N ARG A 101 -3.963 7.394 -10.592 1.00 1.20 N ATOM 1427 CA ARG A 101 -5.387 7.742 -10.650 1.00 1.24 C ATOM 1428 C ARG A 101 -6.178 6.770 -11.540 1.00 1.16 C ATOM 1429 O ARG A 101 -7.166 6.193 -11.088 1.00 1.28 O ATOM 1430 CB ARG A 101 -5.582 9.190 -11.123 1.00 1.33 C ATOM 1431 CG ARG A 101 -4.933 10.221 -10.216 1.00 1.51 C ATOM 1432 CD ARG A 101 -5.202 11.638 -10.694 1.00 1.91 C ATOM 1433 NE ARG A 101 -4.722 11.860 -12.058 1.00 2.59 N ATOM 1434 CZ ARG A 101 -3.962 12.889 -12.425 1.00 3.45 C ATOM 1435 NH1 ARG A 101 -3.568 13.785 -11.528 1.00 3.87 N ATOM 1436 NH2 ARG A 101 -3.598 13.009 -13.693 1.00 4.30 N ATOM 0 H ARG A 101 -3.333 8.103 -10.968 1.00 1.20 H new ATOM 0 HA ARG A 101 -5.780 7.654 -9.637 1.00 1.24 H new ATOM 0 HB2 ARG A 101 -5.172 9.293 -12.128 1.00 1.33 H new ATOM 0 HB3 ARG A 101 -6.649 9.400 -11.192 1.00 1.33 H new ATOM 0 HG2 ARG A 101 -5.311 10.102 -9.201 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -3.858 10.047 -10.179 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -6.273 11.838 -10.650 1.00 1.91 H new ATOM 0 HD3 ARG A 101 -4.718 12.345 -10.020 1.00 1.91 H new ATOM 0 HE ARG A 101 -4.987 11.183 -12.773 1.00 2.59 H new ATOM 0 HH11 ARG A 101 -3.848 13.687 -10.552 1.00 3.87 H new ATOM 0 HH12 ARG A 101 -2.986 14.572 -11.815 1.00 3.87 H new ATOM 0 HH21 ARG A 101 -3.900 12.316 -14.378 1.00 4.30 H new ATOM 0 HH22 ARG A 101 -3.016 13.794 -13.984 1.00 4.30 H new ATOM 1450 N PRO A 102 -5.768 6.549 -12.810 1.00 1.08 N ATOM 1451 CA PRO A 102 -6.382 5.518 -13.657 1.00 1.12 C ATOM 1452 C PRO A 102 -6.223 4.106 -13.084 1.00 1.04 C ATOM 1453 O PRO A 102 -7.043 3.230 -13.357 1.00 1.11 O ATOM 1454 CB PRO A 102 -5.634 5.642 -14.988 1.00 1.21 C ATOM 1455 CG PRO A 102 -5.081 7.022 -14.987 1.00 1.23 C ATOM 1456 CD PRO A 102 -4.756 7.325 -13.555 1.00 1.12 C ATOM 0 HA PRO A 102 -7.458 5.666 -13.744 1.00 1.12 H new ATOM 0 HB2 PRO A 102 -4.841 4.898 -15.067 1.00 1.21 H new ATOM 0 HB3 PRO A 102 -6.303 5.485 -15.834 1.00 1.21 H new ATOM 0 HG2 PRO A 102 -4.191 7.088 -15.613 1.00 1.23 H new ATOM 0 HG3 PRO A 102 -5.804 7.734 -15.384 1.00 1.23 H new ATOM 0 HD2 PRO A 102 -3.742 7.017 -13.298 1.00 1.12 H new ATOM 0 HD3 PRO A 102 -4.829 8.392 -13.342 1.00 1.12 H new ATOM 1464 N TRP A 103 -5.183 3.895 -12.280 1.00 0.95 N ATOM 1465 CA TRP A 103 -4.916 2.575 -11.707 1.00 0.93 C ATOM 1466 C TRP A 103 -6.070 2.127 -10.816 1.00 0.89 C ATOM 1467 O TRP A 103 -6.531 0.990 -10.918 1.00 0.97 O ATOM 1468 CB TRP A 103 -3.612 2.566 -10.902 1.00 0.95 C ATOM 1469 CG TRP A 103 -2.374 2.757 -11.730 1.00 1.08 C ATOM 1470 CD1 TRP A 103 -2.306 3.201 -13.017 1.00 1.52 C ATOM 1471 CD2 TRP A 103 -1.019 2.512 -11.320 1.00 0.87 C ATOM 1472 NE1 TRP A 103 -0.998 3.256 -13.428 1.00 1.57 N ATOM 1473 CE2 TRP A 103 -0.188 2.839 -12.407 1.00 1.12 C ATOM 1474 CE3 TRP A 103 -0.425 2.052 -10.139 1.00 0.72 C ATOM 1475 CZ2 TRP A 103 1.198 2.723 -12.352 1.00 1.00 C ATOM 1476 CZ3 TRP A 103 0.952 1.938 -10.085 1.00 0.72 C ATOM 1477 CH2 TRP A 103 1.752 2.272 -11.186 1.00 0.69 C ATOM 0 H TRP A 103 -4.514 4.616 -12.011 1.00 0.95 H new ATOM 0 HA TRP A 103 -4.814 1.878 -12.538 1.00 0.93 H new ATOM 0 HB2 TRP A 103 -3.657 3.354 -10.150 1.00 0.95 H new ATOM 0 HB3 TRP A 103 -3.535 1.619 -10.367 1.00 0.95 H new ATOM 0 HD1 TRP A 103 -3.157 3.470 -13.625 1.00 1.52 H new ATOM 0 HE1 TRP A 103 -0.680 3.560 -14.348 1.00 1.57 H new ATOM 0 HE3 TRP A 103 -1.032 1.791 -9.285 1.00 0.72 H new ATOM 0 HZ2 TRP A 103 1.814 2.980 -13.201 1.00 1.00 H new ATOM 0 HZ3 TRP A 103 1.420 1.585 -9.178 1.00 0.72 H new ATOM 0 HH2 TRP A 103 2.825 2.171 -11.112 1.00 0.69 H new ATOM 1488 N LEU A 104 -6.536 3.019 -9.945 1.00 0.84 N ATOM 1489 CA LEU A 104 -7.674 2.705 -9.089 1.00 0.87 C ATOM 1490 C LEU A 104 -8.938 2.535 -9.928 1.00 1.03 C ATOM 1491 O LEU A 104 -9.795 1.721 -9.608 1.00 1.12 O ATOM 1492 CB LEU A 104 -7.871 3.761 -7.986 1.00 0.92 C ATOM 1493 CG LEU A 104 -8.263 5.172 -8.444 1.00 1.26 C ATOM 1494 CD1 LEU A 104 -9.777 5.326 -8.502 1.00 1.78 C ATOM 1495 CD2 LEU A 104 -7.657 6.215 -7.521 1.00 1.78 C ATOM 0 H LEU A 104 -6.148 3.953 -9.815 1.00 0.84 H new ATOM 0 HA LEU A 104 -7.464 1.761 -8.587 1.00 0.87 H new ATOM 0 HB2 LEU A 104 -8.639 3.400 -7.302 1.00 0.92 H new ATOM 0 HB3 LEU A 104 -6.945 3.834 -7.415 1.00 0.92 H new ATOM 0 HG LEU A 104 -7.870 5.325 -9.449 1.00 1.26 H new ATOM 0 HD11 LEU A 104 -10.028 6.335 -8.829 1.00 1.78 H new ATOM 0 HD12 LEU A 104 -10.190 4.603 -9.206 1.00 1.78 H new ATOM 0 HD13 LEU A 104 -10.199 5.150 -7.512 1.00 1.78 H new ATOM 0 HD21 LEU A 104 -7.944 7.211 -7.859 1.00 1.78 H new ATOM 0 HD22 LEU A 104 -8.021 6.058 -6.506 1.00 1.78 H new ATOM 0 HD23 LEU A 104 -6.571 6.126 -7.535 1.00 1.78 H new ATOM 1507 N LEU A 105 -9.039 3.302 -11.012 1.00 1.12 N ATOM 1508 CA LEU A 105 -10.191 3.224 -11.907 1.00 1.36 C ATOM 1509 C LEU A 105 -10.277 1.846 -12.555 1.00 1.52 C ATOM 1510 O LEU A 105 -11.366 1.353 -12.847 1.00 1.75 O ATOM 1511 CB LEU A 105 -10.113 4.308 -12.986 1.00 1.47 C ATOM 1512 CG LEU A 105 -10.234 5.745 -12.478 1.00 1.76 C ATOM 1513 CD1 LEU A 105 -10.059 6.732 -13.622 1.00 1.98 C ATOM 1514 CD2 LEU A 105 -11.576 5.952 -11.798 1.00 2.39 C ATOM 0 H LEU A 105 -8.335 3.986 -11.292 1.00 1.12 H new ATOM 0 HA LEU A 105 -11.090 3.387 -11.313 1.00 1.36 H new ATOM 0 HB2 LEU A 105 -9.165 4.205 -13.513 1.00 1.47 H new ATOM 0 HB3 LEU A 105 -10.904 4.130 -13.715 1.00 1.47 H new ATOM 0 HG LEU A 105 -9.444 5.922 -11.748 1.00 1.76 H new ATOM 0 HD11 LEU A 105 -10.148 7.750 -13.242 1.00 1.98 H new ATOM 0 HD12 LEU A 105 -9.075 6.598 -14.071 1.00 1.98 H new ATOM 0 HD13 LEU A 105 -10.828 6.557 -14.374 1.00 1.98 H new ATOM 0 HD21 LEU A 105 -11.648 6.979 -11.441 1.00 2.39 H new ATOM 0 HD22 LEU A 105 -12.378 5.758 -12.510 1.00 2.39 H new ATOM 0 HD23 LEU A 105 -11.666 5.268 -10.954 1.00 2.39 H new ATOM 1526 N GLU A 106 -9.118 1.234 -12.776 1.00 1.49 N ATOM 1527 CA GLU A 106 -9.049 -0.098 -13.365 1.00 1.76 C ATOM 1528 C GLU A 106 -9.736 -1.128 -12.479 1.00 1.76 C ATOM 1529 O GLU A 106 -10.461 -1.992 -12.966 1.00 2.02 O ATOM 1530 CB GLU A 106 -7.593 -0.524 -13.572 1.00 1.86 C ATOM 1531 CG GLU A 106 -6.815 0.360 -14.526 1.00 2.09 C ATOM 1532 CD GLU A 106 -5.364 -0.060 -14.649 1.00 2.61 C ATOM 1533 OE1 GLU A 106 -5.074 -1.270 -14.512 1.00 2.89 O ATOM 1534 OE2 GLU A 106 -4.506 0.814 -14.892 1.00 2.91 O ATOM 0 H GLU A 106 -8.210 1.642 -12.555 1.00 1.49 H new ATOM 0 HA GLU A 106 -9.560 -0.051 -14.327 1.00 1.76 H new ATOM 0 HB2 GLU A 106 -7.087 -0.530 -12.606 1.00 1.86 H new ATOM 0 HB3 GLU A 106 -7.576 -1.547 -13.947 1.00 1.86 H new ATOM 0 HG2 GLU A 106 -7.284 0.330 -15.510 1.00 2.09 H new ATOM 0 HG3 GLU A 106 -6.864 1.393 -14.181 1.00 2.09 H new ATOM 1541 N ILE A 107 -9.507 -1.030 -11.177 1.00 1.51 N ATOM 1542 CA ILE A 107 -9.964 -2.060 -10.258 1.00 1.56 C ATOM 1543 C ILE A 107 -11.233 -1.636 -9.516 1.00 1.62 C ATOM 1544 O ILE A 107 -11.971 -2.478 -8.994 1.00 1.82 O ATOM 1545 CB ILE A 107 -8.845 -2.441 -9.255 1.00 1.47 C ATOM 1546 CG1 ILE A 107 -8.606 -1.334 -8.219 1.00 1.98 C ATOM 1547 CG2 ILE A 107 -7.551 -2.732 -10.002 1.00 2.24 C ATOM 1548 CD1 ILE A 107 -9.338 -1.558 -6.911 1.00 2.47 C ATOM 0 H ILE A 107 -9.012 -0.254 -10.737 1.00 1.51 H new ATOM 0 HA ILE A 107 -10.210 -2.940 -10.853 1.00 1.56 H new ATOM 0 HB ILE A 107 -9.172 -3.334 -8.722 1.00 1.47 H new ATOM 0 HG12 ILE A 107 -7.537 -1.260 -8.019 1.00 1.98 H new ATOM 0 HG13 ILE A 107 -8.918 -0.379 -8.642 1.00 1.98 H new ATOM 0 HG21 ILE A 107 -6.771 -2.999 -9.289 1.00 2.24 H new ATOM 0 HG22 ILE A 107 -7.708 -3.560 -10.694 1.00 2.24 H new ATOM 0 HG23 ILE A 107 -7.246 -1.846 -10.559 1.00 2.24 H new ATOM 0 HD11 ILE A 107 -9.122 -0.737 -6.228 1.00 2.47 H new ATOM 0 HD12 ILE A 107 -10.411 -1.602 -7.098 1.00 2.47 H new ATOM 0 HD13 ILE A 107 -9.008 -2.497 -6.466 1.00 2.47 H new ATOM 1560 N GLY A 108 -11.480 -0.333 -9.475 1.00 1.55 N ATOM 1561 CA GLY A 108 -12.638 0.190 -8.779 1.00 1.84 C ATOM 1562 C GLY A 108 -12.470 0.111 -7.277 1.00 1.65 C ATOM 1563 O GLY A 108 -11.588 0.755 -6.708 1.00 2.19 O ATOM 0 H GLY A 108 -10.893 0.376 -9.916 1.00 1.55 H new ATOM 0 HA2 GLY A 108 -12.802 1.227 -9.073 1.00 1.84 H new ATOM 0 HA3 GLY A 108 -13.525 -0.370 -9.076 1.00 1.84 H new ATOM 1567 N PHE A 109 -13.314 -0.680 -6.639 1.00 1.90 N ATOM 1568 CA PHE A 109 -13.204 -0.939 -5.212 1.00 2.74 C ATOM 1569 C PHE A 109 -13.365 -2.430 -4.955 1.00 3.47 C ATOM 1570 O PHE A 109 -14.127 -2.854 -4.084 1.00 4.14 O ATOM 1571 CB PHE A 109 -14.243 -0.135 -4.422 1.00 3.42 C ATOM 1572 CG PHE A 109 -13.934 1.336 -4.343 1.00 4.00 C ATOM 1573 CD1 PHE A 109 -13.014 1.819 -3.428 1.00 4.67 C ATOM 1574 CD2 PHE A 109 -14.571 2.235 -5.186 1.00 4.33 C ATOM 1575 CE1 PHE A 109 -12.732 3.170 -3.355 1.00 5.60 C ATOM 1576 CE2 PHE A 109 -14.293 3.588 -5.116 1.00 5.24 C ATOM 1577 CZ PHE A 109 -13.353 4.051 -4.198 1.00 5.86 C ATOM 0 H PHE A 109 -14.092 -1.160 -7.092 1.00 1.90 H new ATOM 0 HA PHE A 109 -12.219 -0.621 -4.872 1.00 2.74 H new ATOM 0 HB2 PHE A 109 -15.221 -0.268 -4.884 1.00 3.42 H new ATOM 0 HB3 PHE A 109 -14.311 -0.538 -3.412 1.00 3.42 H new ATOM 0 HD1 PHE A 109 -12.511 1.132 -2.764 1.00 4.67 H new ATOM 0 HD2 PHE A 109 -15.292 1.874 -5.905 1.00 4.33 H new ATOM 0 HE1 PHE A 109 -12.018 3.532 -2.630 1.00 5.60 H new ATOM 0 HE2 PHE A 109 -14.802 4.282 -5.769 1.00 5.24 H new ATOM 0 HZ PHE A 109 -13.115 5.103 -4.152 1.00 5.86 H new ATOM 1587 N SER A 110 -12.659 -3.219 -5.747 1.00 3.90 N ATOM 1588 CA SER A 110 -12.694 -4.664 -5.620 1.00 5.06 C ATOM 1589 C SER A 110 -11.297 -5.192 -5.307 1.00 5.73 C ATOM 1590 O SER A 110 -10.979 -5.373 -4.112 1.00 6.28 O ATOM 1591 CB SER A 110 -13.229 -5.287 -6.910 1.00 5.62 C ATOM 1592 OG SER A 110 -14.449 -4.673 -7.300 1.00 5.57 O ATOM 0 H SER A 110 -12.050 -2.878 -6.491 1.00 3.90 H new ATOM 0 HA SER A 110 -13.359 -4.937 -4.801 1.00 5.06 H new ATOM 0 HB2 SER A 110 -12.491 -5.177 -7.705 1.00 5.62 H new ATOM 0 HB3 SER A 110 -13.385 -6.356 -6.765 1.00 5.62 H new ATOM 0 HG SER A 110 -14.773 -5.085 -8.128 1.00 5.57 H new TER 1598 SER A 110