USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1012 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 SER OG : rot -21:sc= 0.35 USER MOD Set 1.2: A 111 TYR OH : rot 15:sc= -2.03 USER MOD Set 2.1: A 58 MET CE :methyl 149:sc= -4.68 (180deg=-2.18!) USER MOD Set 2.2: A 97 MET CE :methyl 173:sc= -4.57 (180deg=-0.759) USER MOD Set 3.1: A 38 HIS : no HE2:sc= -0.857 K(o=-4.9,f=-9.1!) USER MOD Set 3.2: A 87 HIS :FLIP no HD1:sc= -4.05! C(o=-5.5!,f=-4.9!) USER MOD Set 4.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 32 THR OG1 : rot 170:sc= 0.113 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -2.87 X(o=-2.9,f=-3.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.24 X(o=-0.24,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.85 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0.155 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.184) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -55:sc= 0.219 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.54 K(o=-2.5,f=-9.8!) USER MOD Single : A 51 THR OG1 : rot 49:sc= -0.401 USER MOD Single : A 54 SER OG : rot 180:sc= -0.298 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 169:sc= -1.29 (180deg=-1.95!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 64:sc= 0.946 USER MOD Single : A 70 LYS NZ :NH3+ 156:sc= -0.137 (180deg=-0.603) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 124:sc= 0.0335 (180deg=-0.0804) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 88 MET CE :methyl -105:sc= -0.284 (180deg=-1.97) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 93 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.1!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0835 USER MOD Single : A 99 ASN : amide:sc= 0.288 K(o=0.29,f=-3.6!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -143:sc= -2.69 (180deg=-5.03!) USER MOD Single : A 103 THR OG1 : rot 104:sc= 1.12 USER MOD Single : A 105 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.3) USER MOD Single : A 106 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.64) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= 0 USER MOD Single : B 102 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.064 12.656 7.763 1.00 0.00 N ATOM 2 CA PRO A 1 -12.827 11.727 6.625 1.00 0.00 C ATOM 3 C PRO A 1 -11.477 11.983 5.954 1.00 0.00 C ATOM 4 O PRO A 1 -11.365 11.952 4.728 1.00 0.00 O ATOM 5 CB PRO A 1 -13.967 11.921 5.628 1.00 0.00 C ATOM 6 CG PRO A 1 -14.745 13.071 6.174 1.00 0.00 C ATOM 7 CD PRO A 1 -14.459 13.115 7.656 1.00 0.00 C ATOM 0 H2 PRO A 1 -12.420 13.446 7.725 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.906 12.184 8.654 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.801 10.700 6.990 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.589 12.136 4.629 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.583 11.025 5.550 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.448 14.003 5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.811 12.942 5.988 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.580 14.122 8.056 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.136 12.467 8.213 1.00 0.00 H new ATOM 17 N SER A 2 -10.456 12.234 6.767 1.00 0.00 N ATOM 18 CA SER A 2 -9.116 12.494 6.254 1.00 0.00 C ATOM 19 C SER A 2 -8.221 11.272 6.428 1.00 0.00 C ATOM 20 O SER A 2 -7.538 10.852 5.494 1.00 0.00 O ATOM 21 CB SER A 2 -8.499 13.699 6.968 1.00 0.00 C ATOM 22 OG SER A 2 -9.480 14.680 7.254 1.00 0.00 O ATOM 0 H SER A 2 -10.531 12.263 7.784 1.00 0.00 H new ATOM 0 HA SER A 2 -9.197 12.714 5.189 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.025 13.373 7.894 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.717 14.133 6.345 1.00 0.00 H new ATOM 0 HG SER A 2 -9.061 15.438 7.712 1.00 0.00 H new ATOM 28 N HIS A 3 -8.229 10.705 7.630 1.00 0.00 N ATOM 29 CA HIS A 3 -7.418 9.530 7.926 1.00 0.00 C ATOM 30 C HIS A 3 -8.248 8.256 7.822 1.00 0.00 C ATOM 31 O HIS A 3 -8.076 7.325 8.610 1.00 0.00 O ATOM 32 CB HIS A 3 -6.809 9.644 9.326 1.00 0.00 C ATOM 33 CG HIS A 3 -5.499 10.366 9.353 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.337 11.651 8.879 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.281 9.977 9.801 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.078 12.020 9.034 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.417 11.023 9.592 1.00 0.00 N ATOM 0 H HIS A 3 -8.788 11.040 8.415 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.615 9.479 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.513 10.161 9.978 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.671 8.643 9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.036 9.022 10.241 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.660 12.975 8.752 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.425 11.029 9.829 1.00 0.00 H new ATOM 46 N SER A 4 -9.147 8.221 6.845 1.00 0.00 N ATOM 47 CA SER A 4 -10.005 7.059 6.637 1.00 0.00 C ATOM 48 C SER A 4 -10.920 7.259 5.430 1.00 0.00 C ATOM 49 O SER A 4 -11.581 8.289 5.305 1.00 0.00 O ATOM 50 CB SER A 4 -10.847 6.789 7.885 1.00 0.00 C ATOM 51 OG SER A 4 -11.987 7.629 7.924 1.00 0.00 O ATOM 0 H SER A 4 -9.301 8.983 6.185 1.00 0.00 H new ATOM 0 HA SER A 4 -9.362 6.200 6.444 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.160 5.745 7.897 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.242 6.950 8.777 1.00 0.00 H new ATOM 0 HG SER A 4 -12.509 7.435 8.730 1.00 0.00 H new ATOM 57 N GLY A 5 -10.959 6.261 4.551 1.00 0.00 N ATOM 58 CA GLY A 5 -11.803 6.338 3.375 1.00 0.00 C ATOM 59 C GLY A 5 -12.325 4.977 2.974 1.00 0.00 C ATOM 60 O GLY A 5 -11.742 3.957 3.335 1.00 0.00 O ATOM 0 H GLY A 5 -10.419 5.399 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.641 7.006 3.571 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.238 6.770 2.549 1.00 0.00 H new ATOM 64 N ALA A 6 -13.423 4.949 2.229 1.00 0.00 N ATOM 65 CA ALA A 6 -14.004 3.686 1.797 1.00 0.00 C ATOM 66 C ALA A 6 -13.130 3.028 0.737 1.00 0.00 C ATOM 67 O ALA A 6 -13.051 3.495 -0.399 1.00 0.00 O ATOM 68 CB ALA A 6 -15.416 3.903 1.277 1.00 0.00 C ATOM 0 H ALA A 6 -13.925 5.779 1.914 1.00 0.00 H new ATOM 0 HA ALA A 6 -14.055 3.016 2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.837 2.949 0.958 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.034 4.326 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.391 4.590 0.431 1.00 0.00 H new ATOM 74 N ALA A 7 -12.464 1.945 1.126 1.00 0.00 N ATOM 75 CA ALA A 7 -11.579 1.224 0.219 1.00 0.00 C ATOM 76 C ALA A 7 -12.068 -0.201 -0.024 1.00 0.00 C ATOM 77 O ALA A 7 -12.698 -0.809 0.841 1.00 0.00 O ATOM 78 CB ALA A 7 -10.162 1.206 0.778 1.00 0.00 C ATOM 0 H ALA A 7 -12.521 1.548 2.064 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.582 1.745 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.508 0.665 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.803 2.229 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.160 0.711 1.749 1.00 0.00 H new ATOM 84 N ILE A 8 -11.766 -0.730 -1.207 1.00 0.00 N ATOM 85 CA ILE A 8 -12.167 -2.087 -1.567 1.00 0.00 C ATOM 86 C ILE A 8 -11.003 -3.057 -1.395 1.00 0.00 C ATOM 87 O ILE A 8 -9.848 -2.698 -1.625 1.00 0.00 O ATOM 88 CB ILE A 8 -12.670 -2.168 -3.024 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.550 -0.959 -3.384 1.00 0.00 C ATOM 90 CG2 ILE A 8 -13.430 -3.465 -3.252 1.00 0.00 C ATOM 91 CD1 ILE A 8 -14.517 -0.531 -2.298 1.00 0.00 C ATOM 0 H ILE A 8 -11.244 -0.239 -1.933 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.982 -2.363 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.798 -2.151 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.903 -0.116 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.118 -1.196 -4.284 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.778 -3.506 -4.284 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -12.772 -4.312 -3.057 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.286 -3.508 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.094 0.327 -2.642 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.193 -1.354 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.960 -0.258 -1.402 1.00 0.00 H new ATOM 103 N PHE A 9 -11.307 -4.286 -0.986 1.00 0.00 N ATOM 104 CA PHE A 9 -10.273 -5.294 -0.785 1.00 0.00 C ATOM 105 C PHE A 9 -10.740 -6.661 -1.273 1.00 0.00 C ATOM 106 O PHE A 9 -11.677 -7.237 -0.729 1.00 0.00 O ATOM 107 CB PHE A 9 -9.889 -5.373 0.693 1.00 0.00 C ATOM 108 CG PHE A 9 -8.689 -6.238 0.955 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.497 -6.013 0.284 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.753 -7.274 1.872 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.391 -6.808 0.522 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.651 -8.073 2.114 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.469 -7.839 1.439 1.00 0.00 C ATOM 0 H PHE A 9 -12.255 -4.606 -0.789 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.399 -5.000 -1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.690 -4.367 1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.736 -5.759 1.260 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.431 -5.208 -0.433 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.674 -7.460 2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.468 -6.624 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.714 -8.879 2.830 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.607 -8.461 1.628 1.00 0.00 H new ATOM 123 N GLU A 10 -10.075 -7.176 -2.301 1.00 0.00 N ATOM 124 CA GLU A 10 -10.420 -8.479 -2.863 1.00 0.00 C ATOM 125 C GLU A 10 -11.771 -8.432 -3.574 1.00 0.00 C ATOM 126 O GLU A 10 -12.507 -9.417 -3.592 1.00 0.00 O ATOM 127 CB GLU A 10 -10.437 -9.550 -1.765 1.00 0.00 C ATOM 128 CG GLU A 10 -9.280 -10.532 -1.858 1.00 0.00 C ATOM 129 CD GLU A 10 -9.634 -11.776 -2.648 1.00 0.00 C ATOM 130 OE1 GLU A 10 -10.278 -11.642 -3.710 1.00 0.00 O ATOM 131 OE2 GLU A 10 -9.267 -12.885 -2.206 1.00 0.00 O ATOM 0 H GLU A 10 -9.293 -6.712 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.658 -8.739 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.411 -9.061 -0.791 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.376 -10.101 -1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.427 -10.040 -2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.971 -10.820 -0.853 1.00 0.00 H new ATOM 138 N LYS A 11 -12.082 -7.277 -4.166 1.00 0.00 N ATOM 139 CA LYS A 11 -13.337 -7.082 -4.896 1.00 0.00 C ATOM 140 C LYS A 11 -14.494 -6.730 -3.961 1.00 0.00 C ATOM 141 O LYS A 11 -15.594 -6.427 -4.421 1.00 0.00 O ATOM 142 CB LYS A 11 -13.696 -8.325 -5.719 1.00 0.00 C ATOM 143 CG LYS A 11 -12.509 -8.942 -6.446 1.00 0.00 C ATOM 144 CD LYS A 11 -12.453 -10.448 -6.250 1.00 0.00 C ATOM 145 CE LYS A 11 -13.051 -11.187 -7.436 1.00 0.00 C ATOM 146 NZ LYS A 11 -12.425 -12.524 -7.631 1.00 0.00 N ATOM 0 H LYS A 11 -11.477 -6.456 -4.154 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.179 -6.241 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.135 -9.073 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.459 -8.058 -6.450 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.576 -8.715 -7.510 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.585 -8.493 -6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.418 -10.759 -6.110 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.992 -10.718 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.124 -11.307 -7.285 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.921 -10.590 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.861 -12.995 -8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.405 -12.409 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.571 -13.103 -6.780 1.00 0.00 H new ATOM 160 N VAL A 12 -14.249 -6.759 -2.653 1.00 0.00 N ATOM 161 CA VAL A 12 -15.285 -6.429 -1.687 1.00 0.00 C ATOM 162 C VAL A 12 -15.059 -5.040 -1.113 1.00 0.00 C ATOM 163 O VAL A 12 -13.949 -4.693 -0.711 1.00 0.00 O ATOM 164 CB VAL A 12 -15.354 -7.464 -0.544 1.00 0.00 C ATOM 165 CG1 VAL A 12 -14.112 -7.426 0.333 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.610 -7.256 0.291 1.00 0.00 C ATOM 0 H VAL A 12 -13.348 -7.006 -2.243 1.00 0.00 H new ATOM 0 HA VAL A 12 -16.237 -6.448 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.397 -8.453 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.203 -8.170 1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.232 -7.645 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.010 -6.435 0.776 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.641 -7.995 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.599 -6.255 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.490 -7.369 -0.342 1.00 0.00 H new ATOM 176 N SER A 13 -16.111 -4.236 -1.092 1.00 0.00 N ATOM 177 CA SER A 13 -16.005 -2.884 -0.579 1.00 0.00 C ATOM 178 C SER A 13 -15.905 -2.884 0.939 1.00 0.00 C ATOM 179 O SER A 13 -16.300 -3.843 1.601 1.00 0.00 O ATOM 180 CB SER A 13 -17.201 -2.043 -1.019 1.00 0.00 C ATOM 181 OG SER A 13 -18.422 -2.655 -0.644 1.00 0.00 O ATOM 0 H SER A 13 -17.040 -4.496 -1.422 1.00 0.00 H new ATOM 0 HA SER A 13 -15.095 -2.445 -0.988 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.136 -1.051 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 13 -17.176 -1.908 -2.100 1.00 0.00 H new ATOM 0 HG SER A 13 -19.172 -2.095 -0.936 1.00 0.00 H new ATOM 187 N GLY A 14 -15.377 -1.797 1.482 1.00 0.00 N ATOM 188 CA GLY A 14 -15.233 -1.680 2.917 1.00 0.00 C ATOM 189 C GLY A 14 -14.856 -0.279 3.339 1.00 0.00 C ATOM 190 O GLY A 14 -15.185 0.691 2.657 1.00 0.00 O ATOM 0 H GLY A 14 -15.045 -0.992 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.169 -1.964 3.399 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.472 -2.379 3.263 1.00 0.00 H new ATOM 194 N ILE A 15 -14.160 -0.172 4.460 1.00 0.00 N ATOM 195 CA ILE A 15 -13.735 1.124 4.966 1.00 0.00 C ATOM 196 C ILE A 15 -12.283 1.085 5.400 1.00 0.00 C ATOM 197 O ILE A 15 -11.910 0.327 6.291 1.00 0.00 O ATOM 198 CB ILE A 15 -14.585 1.576 6.168 1.00 0.00 C ATOM 199 CG1 ILE A 15 -16.056 1.209 5.954 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.419 3.072 6.400 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.741 2.011 4.870 1.00 0.00 C ATOM 0 H ILE A 15 -13.878 -0.965 5.036 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.864 1.833 4.148 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.237 1.055 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.123 0.150 5.705 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.595 1.350 6.891 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -15.026 3.377 7.253 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.371 3.295 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.741 3.616 5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.779 1.691 4.781 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.709 3.070 5.126 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.229 1.851 3.921 1.00 0.00 H new ATOM 213 N ILE A 16 -11.471 1.924 4.783 1.00 0.00 N ATOM 214 CA ILE A 16 -10.064 1.999 5.123 1.00 0.00 C ATOM 215 C ILE A 16 -9.849 3.123 6.123 1.00 0.00 C ATOM 216 O ILE A 16 -10.199 4.271 5.864 1.00 0.00 O ATOM 217 CB ILE A 16 -9.196 2.199 3.853 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.491 0.890 3.494 1.00 0.00 C ATOM 219 CG2 ILE A 16 -8.172 3.312 4.016 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.595 0.995 2.278 1.00 0.00 C ATOM 0 H ILE A 16 -11.763 2.563 4.044 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.753 1.059 5.578 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.867 2.494 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.895 0.563 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.242 0.120 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.592 3.410 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.685 4.251 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.504 3.074 4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -7.129 0.029 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -8.189 1.291 1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.821 1.741 2.460 1.00 0.00 H new ATOM 232 N ALA A 17 -9.303 2.782 7.277 1.00 0.00 N ATOM 233 CA ALA A 17 -9.078 3.770 8.321 1.00 0.00 C ATOM 234 C ALA A 17 -7.737 3.557 9.013 1.00 0.00 C ATOM 235 O ALA A 17 -7.365 2.429 9.335 1.00 0.00 O ATOM 236 CB ALA A 17 -10.223 3.727 9.322 1.00 0.00 C ATOM 0 H ALA A 17 -9.008 1.835 7.515 1.00 0.00 H new ATOM 0 HA ALA A 17 -9.046 4.758 7.861 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.052 4.468 10.103 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.161 3.947 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.278 2.735 9.769 1.00 0.00 H new ATOM 242 N ILE A 18 -7.012 4.650 9.230 1.00 0.00 N ATOM 243 CA ILE A 18 -5.705 4.589 9.873 1.00 0.00 C ATOM 244 C ILE A 18 -5.819 4.707 11.390 1.00 0.00 C ATOM 245 O ILE A 18 -6.405 5.657 11.909 1.00 0.00 O ATOM 246 CB ILE A 18 -4.776 5.702 9.348 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.709 5.661 7.821 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.381 5.566 9.946 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.773 6.497 7.146 1.00 0.00 C ATOM 0 H ILE A 18 -7.309 5.590 8.969 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.279 3.616 9.627 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.186 6.665 9.653 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.727 6.008 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.806 4.627 7.489 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.742 6.361 9.562 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.442 5.641 11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.961 4.598 9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.664 6.420 6.064 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.759 6.136 7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.664 7.538 7.448 1.00 0.00 H new ATOM 261 N ASN A 19 -5.243 3.737 12.093 1.00 0.00 N ATOM 262 CA ASN A 19 -5.263 3.724 13.551 1.00 0.00 C ATOM 263 C ASN A 19 -4.032 4.422 14.115 1.00 0.00 C ATOM 264 O ASN A 19 -2.985 3.803 14.300 1.00 0.00 O ATOM 265 CB ASN A 19 -5.331 2.286 14.069 1.00 0.00 C ATOM 266 CG ASN A 19 -6.188 2.159 15.314 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.327 1.697 15.253 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.640 2.569 16.452 1.00 0.00 N ATOM 0 H ASN A 19 -4.754 2.946 11.674 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.150 4.263 13.883 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.732 1.640 13.288 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.323 1.934 14.288 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.167 2.507 17.323 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.692 2.945 16.455 1.00 0.00 H new ATOM 275 N GLU A 20 -4.165 5.716 14.386 1.00 0.00 N ATOM 276 CA GLU A 20 -3.064 6.499 14.931 1.00 0.00 C ATOM 277 C GLU A 20 -3.142 6.565 16.454 1.00 0.00 C ATOM 278 O GLU A 20 -2.631 7.498 17.072 1.00 0.00 O ATOM 279 CB GLU A 20 -3.075 7.912 14.346 1.00 0.00 C ATOM 280 CG GLU A 20 -2.686 7.966 12.878 1.00 0.00 C ATOM 281 CD GLU A 20 -2.592 9.385 12.352 1.00 0.00 C ATOM 282 OE1 GLU A 20 -3.263 10.273 12.917 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.847 9.607 11.374 1.00 0.00 O ATOM 0 H GLU A 20 -5.025 6.244 14.237 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.132 6.007 14.655 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.071 8.338 14.465 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.390 8.538 14.918 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.726 7.467 12.742 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.419 7.413 12.291 1.00 0.00 H new ATOM 290 N ASP A 21 -3.779 5.563 17.052 1.00 0.00 N ATOM 291 CA ASP A 21 -3.917 5.501 18.501 1.00 0.00 C ATOM 292 C ASP A 21 -2.936 4.495 19.098 1.00 0.00 C ATOM 293 O ASP A 21 -2.783 4.416 20.316 1.00 0.00 O ATOM 294 CB ASP A 21 -5.350 5.122 18.881 1.00 0.00 C ATOM 295 CG ASP A 21 -5.827 5.844 20.126 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.309 6.944 20.410 1.00 0.00 O ATOM 297 OD2 ASP A 21 -6.719 5.309 20.817 1.00 0.00 O ATOM 0 H ASP A 21 -4.208 4.783 16.554 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.690 6.487 18.906 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.017 5.355 18.051 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.407 4.046 19.044 1.00 0.00 H new ATOM 302 N VAL A 22 -2.271 3.729 18.235 1.00 0.00 N ATOM 303 CA VAL A 22 -1.305 2.734 18.689 1.00 0.00 C ATOM 304 C VAL A 22 0.122 3.237 18.499 1.00 0.00 C ATOM 305 O VAL A 22 0.334 4.372 18.075 1.00 0.00 O ATOM 306 CB VAL A 22 -1.476 1.400 17.936 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.891 0.868 18.106 1.00 0.00 C ATOM 308 CG2 VAL A 22 -1.135 1.568 16.462 1.00 0.00 C ATOM 0 H VAL A 22 -2.383 3.779 17.222 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.492 2.566 19.750 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.785 0.673 18.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.993 -0.074 17.567 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.094 0.705 19.164 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.602 1.592 17.708 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.262 0.615 15.948 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.797 2.311 16.018 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.101 1.898 16.363 1.00 0.00 H new ATOM 318 N SER A 23 1.100 2.387 18.800 1.00 0.00 N ATOM 319 CA SER A 23 2.496 2.767 18.638 1.00 0.00 C ATOM 320 C SER A 23 2.801 2.975 17.158 1.00 0.00 C ATOM 321 O SER A 23 3.051 4.101 16.727 1.00 0.00 O ATOM 322 CB SER A 23 3.429 1.717 19.252 1.00 0.00 C ATOM 323 OG SER A 23 2.705 0.577 19.682 1.00 0.00 O ATOM 0 H SER A 23 0.952 1.442 19.153 1.00 0.00 H new ATOM 0 HA SER A 23 2.670 3.703 19.168 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.179 1.420 18.519 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.964 2.151 20.097 1.00 0.00 H new ATOM 0 HG SER A 23 3.324 -0.077 20.068 1.00 0.00 H new ATOM 329 N PRO A 24 2.756 1.903 16.340 1.00 0.00 N ATOM 330 CA PRO A 24 2.994 2.004 14.912 1.00 0.00 C ATOM 331 C PRO A 24 1.695 2.241 14.160 1.00 0.00 C ATOM 332 O PRO A 24 0.847 1.352 14.077 1.00 0.00 O ATOM 333 CB PRO A 24 3.548 0.631 14.581 1.00 0.00 C ATOM 334 CG PRO A 24 2.792 -0.289 15.482 1.00 0.00 C ATOM 335 CD PRO A 24 2.439 0.510 16.722 1.00 0.00 C ATOM 0 HA PRO A 24 3.652 2.829 14.639 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.392 0.380 13.532 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.621 0.578 14.765 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.892 -0.659 14.991 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.395 -1.159 15.741 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.388 0.396 16.986 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.022 0.189 17.585 1.00 0.00 H new ATOM 343 N ALA A 25 1.532 3.440 13.627 1.00 0.00 N ATOM 344 CA ALA A 25 0.317 3.786 12.897 1.00 0.00 C ATOM 345 C ALA A 25 -0.030 2.715 11.868 1.00 0.00 C ATOM 346 O ALA A 25 0.721 2.479 10.921 1.00 0.00 O ATOM 347 CB ALA A 25 0.464 5.146 12.236 1.00 0.00 C ATOM 0 H ALA A 25 2.221 4.190 13.684 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.505 3.838 13.611 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.451 5.389 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.647 5.903 12.998 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.302 5.123 11.539 1.00 0.00 H new ATOM 353 N GLU A 26 -1.169 2.062 12.069 1.00 0.00 N ATOM 354 CA GLU A 26 -1.620 1.007 11.170 1.00 0.00 C ATOM 355 C GLU A 26 -2.851 1.450 10.385 1.00 0.00 C ATOM 356 O GLU A 26 -3.511 2.427 10.740 1.00 0.00 O ATOM 357 CB GLU A 26 -1.948 -0.258 11.967 1.00 0.00 C ATOM 358 CG GLU A 26 -0.928 -0.583 13.046 1.00 0.00 C ATOM 359 CD GLU A 26 -1.120 -1.968 13.633 1.00 0.00 C ATOM 360 OE1 GLU A 26 -1.659 -2.843 12.923 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.731 -2.178 14.801 1.00 0.00 O ATOM 0 H GLU A 26 -1.799 2.246 12.850 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.815 0.795 10.466 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.928 -0.141 12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.018 -1.101 11.280 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.075 -0.506 12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.999 0.158 13.842 1.00 0.00 H new ATOM 368 N LEU A 27 -3.162 0.713 9.326 1.00 0.00 N ATOM 369 CA LEU A 27 -4.320 1.002 8.493 1.00 0.00 C ATOM 370 C LEU A 27 -5.296 -0.167 8.570 1.00 0.00 C ATOM 371 O LEU A 27 -5.008 -1.260 8.083 1.00 0.00 O ATOM 372 CB LEU A 27 -3.885 1.242 7.046 1.00 0.00 C ATOM 373 CG LEU A 27 -5.026 1.485 6.054 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.729 2.698 5.185 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.257 0.255 5.190 1.00 0.00 C ATOM 0 H LEU A 27 -2.622 -0.097 9.023 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.812 1.905 8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.215 2.102 7.023 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.309 0.380 6.709 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.936 1.681 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.551 2.855 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.616 3.579 5.817 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.807 2.530 4.629 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.072 0.448 4.492 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.349 0.026 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.517 -0.592 5.825 1.00 0.00 H new ATOM 387 N THR A 28 -6.436 0.055 9.216 1.00 0.00 N ATOM 388 CA THR A 28 -7.429 -1.000 9.387 1.00 0.00 C ATOM 389 C THR A 28 -8.599 -0.867 8.418 1.00 0.00 C ATOM 390 O THR A 28 -9.403 0.060 8.519 1.00 0.00 O ATOM 391 CB THR A 28 -7.954 -0.993 10.823 1.00 0.00 C ATOM 392 OG1 THR A 28 -6.906 -0.730 11.739 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.601 -2.299 11.230 1.00 0.00 C ATOM 0 H THR A 28 -6.695 0.951 9.628 1.00 0.00 H new ATOM 0 HA THR A 28 -6.931 -1.945 9.171 1.00 0.00 H new ATOM 0 HB THR A 28 -8.709 -0.207 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.262 -0.728 12.652 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.952 -2.226 12.260 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.446 -2.507 10.573 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.873 -3.106 11.151 1.00 0.00 H new ATOM 401 N TRP A 29 -8.701 -1.820 7.496 1.00 0.00 N ATOM 402 CA TRP A 29 -9.777 -1.842 6.529 1.00 0.00 C ATOM 403 C TRP A 29 -10.963 -2.623 7.087 1.00 0.00 C ATOM 404 O TRP A 29 -10.899 -3.844 7.230 1.00 0.00 O ATOM 405 CB TRP A 29 -9.301 -2.490 5.230 1.00 0.00 C ATOM 406 CG TRP A 29 -10.412 -2.752 4.265 1.00 0.00 C ATOM 407 CD1 TRP A 29 -11.062 -1.826 3.516 1.00 0.00 C ATOM 408 CD2 TRP A 29 -11.012 -4.015 3.962 1.00 0.00 C ATOM 409 NE1 TRP A 29 -12.027 -2.432 2.742 1.00 0.00 N ATOM 410 CE2 TRP A 29 -12.016 -3.780 3.002 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.793 -5.322 4.405 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.799 -4.810 2.479 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.571 -6.339 3.888 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.561 -6.078 2.935 1.00 0.00 C ATOM 0 H TRP A 29 -8.040 -2.592 7.404 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.086 -0.817 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.562 -1.843 4.757 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.800 -3.430 5.462 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.853 -0.766 3.525 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.647 -1.958 2.085 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.029 -5.533 5.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.564 -4.614 1.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.412 -7.353 4.225 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.151 -6.896 2.550 1.00 0.00 H new ATOM 425 N ARG A 30 -12.042 -1.919 7.390 1.00 0.00 N ATOM 426 CA ARG A 30 -13.241 -2.554 7.921 1.00 0.00 C ATOM 427 C ARG A 30 -14.348 -2.551 6.877 1.00 0.00 C ATOM 428 O ARG A 30 -14.819 -1.493 6.464 1.00 0.00 O ATOM 429 CB ARG A 30 -13.711 -1.834 9.188 1.00 0.00 C ATOM 430 CG ARG A 30 -12.879 -2.163 10.417 1.00 0.00 C ATOM 431 CD ARG A 30 -13.047 -1.109 11.500 1.00 0.00 C ATOM 432 NE ARG A 30 -13.057 -1.695 12.839 1.00 0.00 N ATOM 433 CZ ARG A 30 -13.312 -1.005 13.947 1.00 0.00 C ATOM 434 NH1 ARG A 30 -13.581 0.293 13.884 1.00 0.00 N ATOM 435 NH2 ARG A 30 -13.301 -1.616 15.125 1.00 0.00 N ATOM 0 H ARG A 30 -12.114 -0.908 7.278 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.001 -3.586 8.175 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.682 -0.758 9.017 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.751 -2.098 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.173 -3.137 10.807 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.828 -2.235 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.237 -0.383 11.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.977 -0.565 11.335 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.857 -2.691 12.929 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.593 0.768 12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.776 0.816 14.738 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.097 -2.614 15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.496 -1.088 15.975 1.00 0.00 H new ATOM 449 N SER A 31 -14.758 -3.741 6.446 1.00 0.00 N ATOM 450 CA SER A 31 -15.806 -3.869 5.436 1.00 0.00 C ATOM 451 C SER A 31 -16.997 -2.971 5.761 1.00 0.00 C ATOM 452 O SER A 31 -17.123 -2.469 6.878 1.00 0.00 O ATOM 453 CB SER A 31 -16.263 -5.327 5.329 1.00 0.00 C ATOM 454 OG SER A 31 -17.599 -5.416 4.863 1.00 0.00 O ATOM 0 H SER A 31 -14.382 -4.629 6.779 1.00 0.00 H new ATOM 0 HA SER A 31 -15.392 -3.552 4.479 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.603 -5.868 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.183 -5.808 6.304 1.00 0.00 H new ATOM 0 HG SER A 31 -17.810 -6.349 4.651 1.00 0.00 H new ATOM 460 N THR A 32 -17.867 -2.778 4.778 1.00 0.00 N ATOM 461 CA THR A 32 -19.046 -1.949 4.955 1.00 0.00 C ATOM 462 C THR A 32 -20.046 -2.670 5.834 1.00 0.00 C ATOM 463 O THR A 32 -20.686 -2.074 6.702 1.00 0.00 O ATOM 464 CB THR A 32 -19.677 -1.629 3.602 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.915 -2.181 2.544 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.815 -0.145 3.343 1.00 0.00 C ATOM 0 H THR A 32 -17.775 -3.187 3.848 1.00 0.00 H new ATOM 0 HA THR A 32 -18.754 -1.014 5.432 1.00 0.00 H new ATOM 0 HB THR A 32 -20.673 -2.071 3.639 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.416 -2.105 1.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.270 0.013 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.444 0.302 4.113 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.830 0.321 3.364 1.00 0.00 H new ATOM 474 N ASP A 33 -20.166 -3.962 5.594 1.00 0.00 N ATOM 475 CA ASP A 33 -21.079 -4.800 6.350 1.00 0.00 C ATOM 476 C ASP A 33 -20.400 -5.371 7.588 1.00 0.00 C ATOM 477 O ASP A 33 -21.024 -5.525 8.638 1.00 0.00 O ATOM 478 CB ASP A 33 -21.617 -5.933 5.473 1.00 0.00 C ATOM 479 CG ASP A 33 -22.146 -5.434 4.144 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.299 -4.954 4.105 1.00 0.00 O ATOM 481 OD2 ASP A 33 -21.409 -5.524 3.140 1.00 0.00 O ATOM 0 H ASP A 33 -19.638 -4.458 4.876 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.914 -4.179 6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.824 -6.659 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.413 -6.454 6.005 1.00 0.00 H new ATOM 486 N GLY A 34 -19.120 -5.682 7.454 1.00 0.00 N ATOM 487 CA GLY A 34 -18.369 -6.233 8.565 1.00 0.00 C ATOM 488 C GLY A 34 -18.034 -7.698 8.369 1.00 0.00 C ATOM 489 O GLY A 34 -17.767 -8.416 9.332 1.00 0.00 O ATOM 0 H GLY A 34 -18.585 -5.563 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.447 -5.667 8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.945 -6.115 9.483 1.00 0.00 H new ATOM 493 N ASP A 35 -18.046 -8.142 7.116 1.00 0.00 N ATOM 494 CA ASP A 35 -17.740 -9.530 6.795 1.00 0.00 C ATOM 495 C ASP A 35 -16.264 -9.703 6.455 1.00 0.00 C ATOM 496 O ASP A 35 -15.736 -10.815 6.494 1.00 0.00 O ATOM 497 CB ASP A 35 -18.605 -10.007 5.627 1.00 0.00 C ATOM 498 CG ASP A 35 -19.010 -11.462 5.763 1.00 0.00 C ATOM 499 OD1 ASP A 35 -19.335 -11.884 6.893 1.00 0.00 O ATOM 500 OD2 ASP A 35 -19.002 -12.179 4.741 1.00 0.00 O ATOM 0 H ASP A 35 -18.264 -7.560 6.307 1.00 0.00 H new ATOM 0 HA ASP A 35 -17.961 -10.135 7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -19.500 -9.388 5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.058 -9.871 4.694 1.00 0.00 H new ATOM 505 N LYS A 36 -15.599 -8.601 6.121 1.00 0.00 N ATOM 506 CA LYS A 36 -14.183 -8.643 5.775 1.00 0.00 C ATOM 507 C LYS A 36 -13.411 -7.541 6.489 1.00 0.00 C ATOM 508 O LYS A 36 -13.902 -6.423 6.644 1.00 0.00 O ATOM 509 CB LYS A 36 -14.003 -8.514 4.262 1.00 0.00 C ATOM 510 CG LYS A 36 -14.729 -9.590 3.470 1.00 0.00 C ATOM 511 CD LYS A 36 -13.784 -10.339 2.544 1.00 0.00 C ATOM 512 CE LYS A 36 -14.244 -11.770 2.316 1.00 0.00 C ATOM 513 NZ LYS A 36 -15.683 -11.837 1.942 1.00 0.00 N ATOM 0 H LYS A 36 -16.017 -7.671 6.083 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.785 -9.604 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.362 -7.535 3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.940 -8.556 4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.199 -10.293 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.528 -9.135 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -13.722 -9.819 1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.781 -10.342 2.971 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -13.643 -12.224 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.076 -12.354 3.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -15.909 -12.793 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.268 -11.620 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -15.879 -11.145 1.191 1.00 0.00 H new ATOM 527 N VAL A 37 -12.199 -7.868 6.927 1.00 0.00 N ATOM 528 CA VAL A 37 -11.358 -6.911 7.630 1.00 0.00 C ATOM 529 C VAL A 37 -9.884 -7.096 7.262 1.00 0.00 C ATOM 530 O VAL A 37 -9.476 -8.171 6.820 1.00 0.00 O ATOM 531 CB VAL A 37 -11.547 -7.028 9.163 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.370 -7.731 9.829 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.771 -5.655 9.774 1.00 0.00 C ATOM 0 H VAL A 37 -11.779 -8.790 6.806 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.666 -5.913 7.319 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.431 -7.641 9.341 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.543 -7.792 10.903 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.268 -8.736 9.420 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.456 -7.168 9.640 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -11.902 -5.753 10.852 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.908 -5.021 9.570 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.663 -5.205 9.339 1.00 0.00 H new ATOM 543 N HIS A 38 -9.094 -6.044 7.447 1.00 0.00 N ATOM 544 CA HIS A 38 -7.668 -6.089 7.137 1.00 0.00 C ATOM 545 C HIS A 38 -6.915 -5.004 7.899 1.00 0.00 C ATOM 546 O HIS A 38 -7.448 -3.924 8.146 1.00 0.00 O ATOM 547 CB HIS A 38 -7.444 -5.925 5.632 1.00 0.00 C ATOM 548 CG HIS A 38 -6.125 -6.455 5.163 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.972 -7.710 4.610 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.893 -5.895 5.167 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.702 -7.898 4.295 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.027 -6.811 4.623 1.00 0.00 N ATOM 0 H HIS A 38 -9.417 -5.148 7.811 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.283 -7.060 7.447 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.243 -6.437 5.096 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.514 -4.868 5.375 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.722 -8.387 4.467 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.638 -4.910 5.531 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.287 -8.788 3.846 1.00 0.00 H new ATOM 561 N THR A 39 -5.673 -5.295 8.274 1.00 0.00 N ATOM 562 CA THR A 39 -4.858 -4.337 9.013 1.00 0.00 C ATOM 563 C THR A 39 -3.466 -4.204 8.401 1.00 0.00 C ATOM 564 O THR A 39 -2.782 -5.200 8.163 1.00 0.00 O ATOM 565 CB THR A 39 -4.743 -4.759 10.479 1.00 0.00 C ATOM 566 OG1 THR A 39 -5.918 -5.428 10.901 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.513 -3.596 11.420 1.00 0.00 C ATOM 0 H THR A 39 -5.210 -6.183 8.079 1.00 0.00 H new ATOM 0 HA THR A 39 -5.350 -3.366 8.955 1.00 0.00 H new ATOM 0 HB THR A 39 -3.876 -5.418 10.523 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.825 -5.692 11.840 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.441 -3.965 12.443 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.587 -3.088 11.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.346 -2.897 11.344 1.00 0.00 H new ATOM 575 N VAL A 40 -3.050 -2.964 8.157 1.00 0.00 N ATOM 576 CA VAL A 40 -1.736 -2.692 7.583 1.00 0.00 C ATOM 577 C VAL A 40 -0.915 -1.825 8.511 1.00 0.00 C ATOM 578 O VAL A 40 -1.402 -0.840 9.051 1.00 0.00 O ATOM 579 CB VAL A 40 -1.846 -1.990 6.217 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.605 -1.158 5.904 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.081 -3.018 5.133 1.00 0.00 C ATOM 0 H VAL A 40 -3.606 -2.130 8.348 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.246 -3.656 7.446 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.692 -1.304 6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.723 -0.680 4.932 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.476 -0.394 6.671 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.272 -1.805 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.158 -2.518 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.248 -3.721 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.006 -3.557 5.337 1.00 0.00 H new ATOM 591 N VAL A 41 0.339 -2.183 8.682 1.00 0.00 N ATOM 592 CA VAL A 41 1.213 -1.403 9.538 1.00 0.00 C ATOM 593 C VAL A 41 2.117 -0.493 8.716 1.00 0.00 C ATOM 594 O VAL A 41 3.116 -0.935 8.150 1.00 0.00 O ATOM 595 CB VAL A 41 2.044 -2.297 10.479 1.00 0.00 C ATOM 596 CG1 VAL A 41 3.048 -1.474 11.279 1.00 0.00 C ATOM 597 CG2 VAL A 41 1.113 -3.051 11.413 1.00 0.00 C ATOM 0 H VAL A 41 0.774 -2.997 8.248 1.00 0.00 H new ATOM 0 HA VAL A 41 0.575 -0.777 10.162 1.00 0.00 H new ATOM 0 HB VAL A 41 2.607 -3.009 9.875 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.619 -2.133 11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.727 -0.964 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.517 -0.736 11.881 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.700 -3.684 12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.536 -2.340 12.004 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.435 -3.672 10.828 1.00 0.00 H new ATOM 607 N LEU A 42 1.750 0.783 8.658 1.00 0.00 N ATOM 608 CA LEU A 42 2.516 1.772 7.907 1.00 0.00 C ATOM 609 C LEU A 42 3.992 1.740 8.299 1.00 0.00 C ATOM 610 O LEU A 42 4.860 2.110 7.509 1.00 0.00 O ATOM 611 CB LEU A 42 1.938 3.172 8.136 1.00 0.00 C ATOM 612 CG LEU A 42 0.634 3.471 7.390 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.818 3.254 5.898 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.504 2.606 7.923 1.00 0.00 C ATOM 0 H LEU A 42 0.924 1.158 9.124 1.00 0.00 H new ATOM 0 HA LEU A 42 2.442 1.525 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.765 3.306 9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.685 3.909 7.839 1.00 0.00 H new ATOM 0 HG LEU A 42 0.373 4.516 7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.117 3.470 5.381 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.600 3.917 5.528 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.104 2.218 5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.420 2.835 7.379 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.255 1.553 7.788 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.651 2.811 8.983 1.00 0.00 H new ATOM 626 N SER A 43 4.268 1.291 9.520 1.00 0.00 N ATOM 627 CA SER A 43 5.640 1.207 10.010 1.00 0.00 C ATOM 628 C SER A 43 6.454 0.222 9.179 1.00 0.00 C ATOM 629 O SER A 43 7.666 0.368 9.030 1.00 0.00 O ATOM 630 CB SER A 43 5.656 0.788 11.481 1.00 0.00 C ATOM 631 OG SER A 43 4.807 1.615 12.257 1.00 0.00 O ATOM 0 H SER A 43 3.561 0.980 10.187 1.00 0.00 H new ATOM 0 HA SER A 43 6.093 2.194 9.918 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.337 -0.251 11.570 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.674 0.843 11.867 1.00 0.00 H new ATOM 0 HG SER A 43 4.661 2.464 11.790 1.00 0.00 H new ATOM 637 N THR A 44 5.773 -0.777 8.634 1.00 0.00 N ATOM 638 CA THR A 44 6.420 -1.791 7.808 1.00 0.00 C ATOM 639 C THR A 44 6.263 -1.455 6.335 1.00 0.00 C ATOM 640 O THR A 44 7.128 -1.763 5.514 1.00 0.00 O ATOM 641 CB THR A 44 5.830 -3.177 8.085 1.00 0.00 C ATOM 642 OG1 THR A 44 4.707 -3.422 7.257 1.00 0.00 O ATOM 643 CG2 THR A 44 5.385 -3.362 9.519 1.00 0.00 C ATOM 0 H THR A 44 4.768 -0.908 8.749 1.00 0.00 H new ATOM 0 HA THR A 44 7.480 -1.804 8.061 1.00 0.00 H new ATOM 0 HB THR A 44 6.637 -3.879 7.875 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.049 -2.706 7.378 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.977 -4.365 9.647 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.238 -3.230 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.619 -2.625 9.760 1.00 0.00 H new ATOM 651 N ILE A 45 5.146 -0.822 6.013 1.00 0.00 N ATOM 652 CA ILE A 45 4.847 -0.435 4.639 1.00 0.00 C ATOM 653 C ILE A 45 6.055 0.221 3.974 1.00 0.00 C ATOM 654 O ILE A 45 6.386 1.374 4.256 1.00 0.00 O ATOM 655 CB ILE A 45 3.634 0.520 4.573 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.370 -0.195 5.060 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.433 1.046 3.157 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.154 -1.552 4.423 1.00 0.00 C ATOM 0 H ILE A 45 4.426 -0.563 6.688 1.00 0.00 H new ATOM 0 HA ILE A 45 4.601 -1.348 4.097 1.00 0.00 H new ATOM 0 HB ILE A 45 3.832 1.370 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.426 -0.316 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.505 0.435 4.854 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.573 1.716 3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.324 1.589 2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.258 0.210 2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.240 -1.997 4.817 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.065 -1.437 3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.001 -2.200 4.651 1.00 0.00 H new ATOM 670 N ASP A 46 6.709 -0.527 3.093 1.00 0.00 N ATOM 671 CA ASP A 46 7.881 -0.032 2.385 1.00 0.00 C ATOM 672 C ASP A 46 7.557 1.235 1.601 1.00 0.00 C ATOM 673 O ASP A 46 8.292 2.220 1.668 1.00 0.00 O ATOM 674 CB ASP A 46 8.422 -1.105 1.439 1.00 0.00 C ATOM 675 CG ASP A 46 9.919 -0.992 1.230 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.444 0.139 1.297 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.566 -2.034 0.999 1.00 0.00 O ATOM 0 H ASP A 46 6.445 -1.482 2.852 1.00 0.00 H new ATOM 0 HA ASP A 46 8.642 0.210 3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.188 -2.091 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.917 -1.025 0.477 1.00 0.00 H new ATOM 682 N LYS A 47 6.454 1.207 0.855 1.00 0.00 N ATOM 683 CA LYS A 47 6.049 2.360 0.060 1.00 0.00 C ATOM 684 C LYS A 47 4.549 2.341 -0.208 1.00 0.00 C ATOM 685 O LYS A 47 3.868 1.355 0.074 1.00 0.00 O ATOM 686 CB LYS A 47 6.805 2.391 -1.275 1.00 0.00 C ATOM 687 CG LYS A 47 8.238 1.891 -1.189 1.00 0.00 C ATOM 688 CD LYS A 47 8.931 1.954 -2.540 1.00 0.00 C ATOM 689 CE LYS A 47 9.940 0.828 -2.702 1.00 0.00 C ATOM 690 NZ LYS A 47 10.208 0.524 -4.135 1.00 0.00 N ATOM 0 H LYS A 47 5.830 0.403 0.786 1.00 0.00 H new ATOM 0 HA LYS A 47 6.293 3.255 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.263 1.785 -2.001 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.810 3.413 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.791 2.491 -0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.245 0.864 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.187 1.895 -3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.436 2.914 -2.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.872 1.102 -2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.568 -0.067 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.901 -0.249 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.323 0.237 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.588 1.371 -4.604 1.00 0.00 H new ATOM 704 N LEU A 48 4.047 3.436 -0.764 1.00 0.00 N ATOM 705 CA LEU A 48 2.631 3.555 -1.086 1.00 0.00 C ATOM 706 C LEU A 48 2.438 3.579 -2.599 1.00 0.00 C ATOM 707 O LEU A 48 3.344 3.953 -3.342 1.00 0.00 O ATOM 708 CB LEU A 48 2.053 4.826 -0.462 1.00 0.00 C ATOM 709 CG LEU A 48 0.581 5.101 -0.771 1.00 0.00 C ATOM 710 CD1 LEU A 48 -0.318 4.279 0.139 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.277 6.585 -0.627 1.00 0.00 C ATOM 0 H LEU A 48 4.602 4.258 -1.002 1.00 0.00 H new ATOM 0 HA LEU A 48 2.104 2.693 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.174 4.766 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.643 5.677 -0.802 1.00 0.00 H new ATOM 0 HG LEU A 48 0.383 4.808 -1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.362 4.488 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.117 3.218 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.120 4.541 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.775 6.764 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.491 6.903 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.897 7.152 -1.321 1.00 0.00 H new ATOM 723 N GLN A 49 1.257 3.178 -3.049 1.00 0.00 N ATOM 724 CA GLN A 49 0.958 3.156 -4.475 1.00 0.00 C ATOM 725 C GLN A 49 -0.428 3.723 -4.756 1.00 0.00 C ATOM 726 O GLN A 49 -1.407 3.347 -4.112 1.00 0.00 O ATOM 727 CB GLN A 49 1.057 1.729 -5.017 1.00 0.00 C ATOM 728 CG GLN A 49 2.465 1.328 -5.424 1.00 0.00 C ATOM 729 CD GLN A 49 2.495 0.537 -6.717 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.574 -0.226 -7.013 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.557 0.712 -7.495 1.00 0.00 N ATOM 0 H GLN A 49 0.493 2.865 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 49 1.693 3.783 -4.980 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.696 1.035 -4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.397 1.630 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.076 2.224 -5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.914 0.734 -4.628 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.297 1.354 -7.211 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.633 0.204 -8.376 1.00 0.00 H new ATOM 740 N ALA A 50 -0.503 4.632 -5.723 1.00 0.00 N ATOM 741 CA ALA A 50 -1.767 5.254 -6.093 1.00 0.00 C ATOM 742 C ALA A 50 -1.869 5.423 -7.606 1.00 0.00 C ATOM 743 O ALA A 50 -0.902 5.805 -8.264 1.00 0.00 O ATOM 744 CB ALA A 50 -1.917 6.598 -5.398 1.00 0.00 C ATOM 0 H ALA A 50 0.299 4.954 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.577 4.600 -5.770 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.866 7.051 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.894 6.454 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.098 7.254 -5.693 1.00 0.00 H new ATOM 750 N THR A 51 -3.046 5.135 -8.148 1.00 0.00 N ATOM 751 CA THR A 51 -3.278 5.253 -9.585 1.00 0.00 C ATOM 752 C THR A 51 -3.657 6.679 -9.965 1.00 0.00 C ATOM 753 O THR A 51 -4.812 7.084 -9.826 1.00 0.00 O ATOM 754 CB THR A 51 -4.380 4.288 -10.022 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.472 4.339 -9.124 1.00 0.00 O ATOM 756 CG2 THR A 51 -3.918 2.849 -10.104 1.00 0.00 C ATOM 0 H THR A 51 -3.856 4.818 -7.615 1.00 0.00 H new ATOM 0 HA THR A 51 -2.351 4.997 -10.098 1.00 0.00 H new ATOM 0 HB THR A 51 -4.673 4.614 -11.020 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.724 5.273 -8.968 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.749 2.218 -10.420 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.106 2.768 -10.827 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.566 2.523 -9.125 1.00 0.00 H new ATOM 764 N PRO A 52 -2.685 7.454 -10.470 1.00 0.00 N ATOM 765 CA PRO A 52 -2.899 8.839 -10.901 1.00 0.00 C ATOM 766 C PRO A 52 -4.123 8.983 -11.797 1.00 0.00 C ATOM 767 O PRO A 52 -4.631 7.999 -12.335 1.00 0.00 O ATOM 768 CB PRO A 52 -1.622 9.169 -11.689 1.00 0.00 C ATOM 769 CG PRO A 52 -0.955 7.853 -11.897 1.00 0.00 C ATOM 770 CD PRO A 52 -1.295 7.050 -10.691 1.00 0.00 C ATOM 0 HA PRO A 52 -3.081 9.504 -10.057 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.856 9.649 -12.639 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.981 9.855 -11.135 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -1.312 7.369 -12.806 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.124 7.970 -12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.200 5.979 -10.868 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.656 7.290 -9.842 1.00 0.00 H new ATOM 778 N ALA A 53 -4.588 10.216 -11.959 1.00 0.00 N ATOM 779 CA ALA A 53 -5.748 10.490 -12.796 1.00 0.00 C ATOM 780 C ALA A 53 -5.496 10.090 -14.250 1.00 0.00 C ATOM 781 O ALA A 53 -6.430 10.010 -15.047 1.00 0.00 O ATOM 782 CB ALA A 53 -6.123 11.962 -12.710 1.00 0.00 C ATOM 0 H ALA A 53 -4.179 11.042 -11.521 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.578 9.889 -12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.991 12.154 -13.340 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.361 12.217 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.286 12.571 -13.051 1.00 0.00 H new ATOM 788 N SER A 54 -4.232 9.842 -14.594 1.00 0.00 N ATOM 789 CA SER A 54 -3.876 9.455 -15.955 1.00 0.00 C ATOM 790 C SER A 54 -4.347 8.038 -16.267 1.00 0.00 C ATOM 791 O SER A 54 -4.504 7.669 -17.431 1.00 0.00 O ATOM 792 CB SER A 54 -2.364 9.559 -16.159 1.00 0.00 C ATOM 793 OG SER A 54 -1.666 9.255 -14.964 1.00 0.00 O ATOM 0 H SER A 54 -3.443 9.902 -13.951 1.00 0.00 H new ATOM 0 HA SER A 54 -4.377 10.140 -16.639 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.053 8.876 -16.949 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.107 10.566 -16.488 1.00 0.00 H new ATOM 0 HG SER A 54 -0.701 9.327 -15.121 1.00 0.00 H new ATOM 799 N SER A 55 -4.571 7.248 -15.223 1.00 0.00 N ATOM 800 CA SER A 55 -5.025 5.871 -15.390 1.00 0.00 C ATOM 801 C SER A 55 -6.547 5.792 -15.345 1.00 0.00 C ATOM 802 O SER A 55 -7.179 6.311 -14.424 1.00 0.00 O ATOM 803 CB SER A 55 -4.422 4.980 -14.302 1.00 0.00 C ATOM 804 OG SER A 55 -4.344 3.632 -14.734 1.00 0.00 O ATOM 0 H SER A 55 -4.446 7.536 -14.253 1.00 0.00 H new ATOM 0 HA SER A 55 -4.691 5.518 -16.366 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.427 5.340 -14.042 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.029 5.042 -13.399 1.00 0.00 H new ATOM 0 HG SER A 55 -3.954 3.083 -14.022 1.00 0.00 H new ATOM 810 N GLU A 56 -7.132 5.137 -16.343 1.00 0.00 N ATOM 811 CA GLU A 56 -8.581 4.990 -16.417 1.00 0.00 C ATOM 812 C GLU A 56 -9.119 4.271 -15.186 1.00 0.00 C ATOM 813 O GLU A 56 -10.262 4.481 -14.779 1.00 0.00 O ATOM 814 CB GLU A 56 -8.976 4.227 -17.683 1.00 0.00 C ATOM 815 CG GLU A 56 -9.076 5.108 -18.917 1.00 0.00 C ATOM 816 CD GLU A 56 -10.116 4.611 -19.903 1.00 0.00 C ATOM 817 OE1 GLU A 56 -11.321 4.810 -19.647 1.00 0.00 O ATOM 818 OE2 GLU A 56 -9.723 4.023 -20.933 1.00 0.00 O ATOM 0 H GLU A 56 -6.624 4.699 -17.112 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.019 5.987 -16.453 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.244 3.440 -17.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.936 3.737 -17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.324 6.125 -18.614 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.104 5.150 -19.409 1.00 0.00 H new ATOM 825 N LYS A 57 -8.286 3.425 -14.598 1.00 0.00 N ATOM 826 CA LYS A 57 -8.668 2.672 -13.409 1.00 0.00 C ATOM 827 C LYS A 57 -8.200 3.387 -12.146 1.00 0.00 C ATOM 828 O LYS A 57 -7.296 4.220 -12.193 1.00 0.00 O ATOM 829 CB LYS A 57 -8.077 1.259 -13.460 1.00 0.00 C ATOM 830 CG LYS A 57 -8.103 0.631 -14.845 1.00 0.00 C ATOM 831 CD LYS A 57 -9.478 0.739 -15.485 1.00 0.00 C ATOM 832 CE LYS A 57 -10.537 0.032 -14.655 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.577 -0.605 -15.508 1.00 0.00 N ATOM 0 H LYS A 57 -7.338 3.241 -14.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.755 2.600 -13.386 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.046 1.294 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.629 0.620 -12.771 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.366 1.121 -15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.816 -0.418 -14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.746 1.789 -15.599 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.450 0.307 -16.485 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.063 -0.727 -14.032 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.008 0.748 -13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.280 -1.076 -14.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.047 0.122 -16.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.131 -1.307 -16.133 1.00 0.00 H new ATOM 847 N MET A 58 -8.821 3.059 -11.016 1.00 0.00 N ATOM 848 CA MET A 58 -8.462 3.677 -9.745 1.00 0.00 C ATOM 849 C MET A 58 -8.233 2.624 -8.666 1.00 0.00 C ATOM 850 O MET A 58 -9.183 2.035 -8.149 1.00 0.00 O ATOM 851 CB MET A 58 -9.558 4.648 -9.299 1.00 0.00 C ATOM 852 CG MET A 58 -10.139 5.477 -10.433 1.00 0.00 C ATOM 853 SD MET A 58 -10.583 7.146 -9.915 1.00 0.00 S ATOM 854 CE MET A 58 -9.027 7.715 -9.236 1.00 0.00 C ATOM 0 H MET A 58 -9.572 2.372 -10.955 1.00 0.00 H new ATOM 0 HA MET A 58 -7.532 4.227 -9.891 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.361 4.083 -8.826 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.151 5.319 -8.542 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.414 5.533 -11.245 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.023 4.976 -10.829 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.939 8.792 -9.380 1.00 0.00 H new ATOM 0 HE2 MET A 58 -8.990 7.487 -8.171 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.203 7.213 -9.743 1.00 0.00 H new ATOM 864 N MET A 59 -6.967 2.397 -8.324 1.00 0.00 N ATOM 865 CA MET A 59 -6.610 1.420 -7.300 1.00 0.00 C ATOM 866 C MET A 59 -5.307 1.811 -6.609 1.00 0.00 C ATOM 867 O MET A 59 -4.362 2.263 -7.256 1.00 0.00 O ATOM 868 CB MET A 59 -6.462 0.021 -7.909 1.00 0.00 C ATOM 869 CG MET A 59 -7.430 -0.271 -9.045 1.00 0.00 C ATOM 870 SD MET A 59 -6.889 0.431 -10.616 1.00 0.00 S ATOM 871 CE MET A 59 -5.299 -0.370 -10.813 1.00 0.00 C ATOM 0 H MET A 59 -6.170 2.878 -8.742 1.00 0.00 H new ATOM 0 HA MET A 59 -7.414 1.405 -6.564 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.443 -0.097 -8.276 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.606 -0.722 -7.124 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.543 -1.350 -9.153 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.412 0.128 -8.792 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.926 -0.194 -11.822 1.00 0.00 H new ATOM 0 HE2 MET A 59 -4.594 0.038 -10.089 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.409 -1.442 -10.648 1.00 0.00 H new ATOM 881 N LEU A 60 -5.262 1.627 -5.294 1.00 0.00 N ATOM 882 CA LEU A 60 -4.068 1.954 -4.518 1.00 0.00 C ATOM 883 C LEU A 60 -3.422 0.687 -3.960 1.00 0.00 C ATOM 884 O LEU A 60 -4.112 -0.213 -3.482 1.00 0.00 O ATOM 885 CB LEU A 60 -4.424 2.905 -3.372 1.00 0.00 C ATOM 886 CG LEU A 60 -4.272 4.394 -3.693 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.051 4.751 -4.950 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.735 5.240 -2.518 1.00 0.00 C ATOM 0 H LEU A 60 -6.035 1.254 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.355 2.445 -5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.455 2.717 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.794 2.668 -2.515 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.217 4.603 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.931 5.813 -5.163 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.673 4.168 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.107 4.528 -4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.620 6.296 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.783 5.028 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.134 5.004 -1.640 1.00 0.00 H new ATOM 900 N ARG A 61 -2.093 0.622 -4.025 1.00 0.00 N ATOM 901 CA ARG A 61 -1.360 -0.539 -3.527 1.00 0.00 C ATOM 902 C ARG A 61 -0.493 -0.167 -2.327 1.00 0.00 C ATOM 903 O ARG A 61 -0.089 0.985 -2.172 1.00 0.00 O ATOM 904 CB ARG A 61 -0.495 -1.138 -4.637 1.00 0.00 C ATOM 905 CG ARG A 61 -1.195 -2.231 -5.428 1.00 0.00 C ATOM 906 CD ARG A 61 -0.266 -2.860 -6.455 1.00 0.00 C ATOM 907 NE ARG A 61 0.184 -4.189 -6.044 1.00 0.00 N ATOM 908 CZ ARG A 61 0.713 -5.082 -6.877 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.859 -4.794 -8.164 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.095 -6.267 -6.421 1.00 0.00 N ATOM 0 H ARG A 61 -1.504 1.357 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.087 -1.284 -3.204 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.192 -0.344 -5.319 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.416 -1.545 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.558 -3.000 -4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.067 -1.815 -5.932 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.780 -2.932 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.599 -2.214 -6.605 1.00 0.00 H new ATOM 0 HE ARG A 61 0.087 -4.447 -5.062 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.565 -3.884 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.265 -5.482 -8.798 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.983 -6.493 -5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.501 -6.952 -7.058 1.00 0.00 H new ATOM 924 N LEU A 62 -0.220 -1.152 -1.475 1.00 0.00 N ATOM 925 CA LEU A 62 0.589 -0.934 -0.280 1.00 0.00 C ATOM 926 C LEU A 62 1.732 -1.943 -0.193 1.00 0.00 C ATOM 927 O LEU A 62 1.504 -3.139 -0.009 1.00 0.00 O ATOM 928 CB LEU A 62 -0.296 -1.042 0.968 1.00 0.00 C ATOM 929 CG LEU A 62 -0.070 0.011 2.069 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.750 1.192 1.575 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.404 0.494 2.606 1.00 0.00 C ATOM 0 H LEU A 62 -0.548 -2.111 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 62 1.023 0.064 -0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.338 -0.986 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.148 -2.029 1.406 1.00 0.00 H new ATOM 0 HG LEU A 62 0.497 -0.468 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.883 1.908 2.386 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.725 0.842 1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.231 1.675 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.235 1.238 3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.982 0.940 1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.955 -0.349 3.024 1.00 0.00 H new ATOM 943 N ILE A 63 2.962 -1.454 -0.315 1.00 0.00 N ATOM 944 CA ILE A 63 4.138 -2.313 -0.237 1.00 0.00 C ATOM 945 C ILE A 63 4.589 -2.473 1.211 1.00 0.00 C ATOM 946 O ILE A 63 4.620 -1.506 1.968 1.00 0.00 O ATOM 947 CB ILE A 63 5.305 -1.750 -1.076 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.901 -1.657 -2.545 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.548 -2.617 -0.922 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.465 -2.980 -3.131 1.00 0.00 C ATOM 0 H ILE A 63 3.170 -0.467 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 63 3.857 -3.286 -0.641 1.00 0.00 H new ATOM 0 HB ILE A 63 5.540 -0.750 -0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.088 -0.938 -2.646 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.742 -1.272 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.358 -2.202 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.848 -2.641 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.329 -3.630 -1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.192 -2.842 -4.177 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.284 -3.696 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.605 -3.357 -2.578 1.00 0.00 H new ATOM 962 N GLY A 64 4.932 -3.701 1.590 1.00 0.00 N ATOM 963 CA GLY A 64 5.372 -3.963 2.949 1.00 0.00 C ATOM 964 C GLY A 64 6.874 -4.143 3.054 1.00 0.00 C ATOM 965 O GLY A 64 7.567 -4.225 2.041 1.00 0.00 O ATOM 0 H GLY A 64 4.913 -4.519 0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.063 -3.138 3.592 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.876 -4.860 3.321 1.00 0.00 H new ATOM 969 N LYS A 65 7.379 -4.208 4.283 1.00 0.00 N ATOM 970 CA LYS A 65 8.809 -4.382 4.511 1.00 0.00 C ATOM 971 C LYS A 65 9.255 -5.783 4.102 1.00 0.00 C ATOM 972 O LYS A 65 8.534 -6.759 4.311 1.00 0.00 O ATOM 973 CB LYS A 65 9.148 -4.133 5.982 1.00 0.00 C ATOM 974 CG LYS A 65 10.423 -3.329 6.185 1.00 0.00 C ATOM 975 CD LYS A 65 10.369 -2.002 5.445 1.00 0.00 C ATOM 976 CE LYS A 65 10.938 -0.871 6.286 1.00 0.00 C ATOM 977 NZ LYS A 65 12.390 -0.664 6.028 1.00 0.00 N ATOM 0 H LYS A 65 6.820 -4.143 5.134 1.00 0.00 H new ATOM 0 HA LYS A 65 9.342 -3.656 3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.318 -3.607 6.454 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.248 -5.092 6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.574 -3.147 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.278 -3.907 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.929 -2.081 4.513 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.337 -1.775 5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.396 0.050 6.071 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.785 -1.091 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.740 0.116 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.911 -1.534 6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.534 -0.428 5.025 1.00 0.00 H new ATOM 991 N VAL A 66 10.444 -5.874 3.516 1.00 0.00 N ATOM 992 CA VAL A 66 10.988 -7.132 3.078 1.00 0.00 C ATOM 993 C VAL A 66 12.116 -7.568 4.006 1.00 0.00 C ATOM 994 O VAL A 66 11.929 -7.684 5.218 1.00 0.00 O ATOM 995 CB VAL A 66 11.444 -7.013 1.602 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.576 -6.004 1.448 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.823 -8.376 1.037 1.00 0.00 C ATOM 0 H VAL A 66 11.049 -5.073 3.336 1.00 0.00 H new ATOM 0 HA VAL A 66 10.223 -7.907 3.124 1.00 0.00 H new ATOM 0 HB VAL A 66 10.601 -6.639 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.871 -5.946 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.238 -5.024 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.429 -6.320 2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.139 -8.265 -0.000 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.640 -8.798 1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.961 -9.042 1.084 1.00 0.00 H new ATOM 1007 N ASP A 67 13.262 -7.802 3.437 1.00 0.00 N ATOM 1008 CA ASP A 67 14.438 -8.226 4.187 1.00 0.00 C ATOM 1009 C ASP A 67 15.703 -8.058 3.352 1.00 0.00 C ATOM 1010 O ASP A 67 15.940 -8.810 2.407 1.00 0.00 O ATOM 1011 CB ASP A 67 14.291 -9.685 4.625 1.00 0.00 C ATOM 1012 CG ASP A 67 15.089 -9.997 5.875 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.170 -9.120 6.762 1.00 0.00 O ATOM 1014 OD2 ASP A 67 15.633 -11.117 5.968 1.00 0.00 O ATOM 0 H ASP A 67 13.422 -7.707 2.434 1.00 0.00 H new ATOM 0 HA ASP A 67 14.522 -7.596 5.072 1.00 0.00 H new ATOM 0 HB2 ASP A 67 13.238 -9.903 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.618 -10.339 3.816 1.00 0.00 H new ATOM 1019 N GLU A 68 16.513 -7.065 3.707 1.00 0.00 N ATOM 1020 CA GLU A 68 17.755 -6.798 2.990 1.00 0.00 C ATOM 1021 C GLU A 68 18.683 -8.010 3.020 1.00 0.00 C ATOM 1022 O GLU A 68 19.576 -8.139 2.183 1.00 0.00 O ATOM 1023 CB GLU A 68 18.465 -5.583 3.591 1.00 0.00 C ATOM 1024 CG GLU A 68 17.753 -4.268 3.320 1.00 0.00 C ATOM 1025 CD GLU A 68 18.326 -3.532 2.124 1.00 0.00 C ATOM 1026 OE1 GLU A 68 18.692 -4.200 1.135 1.00 0.00 O ATOM 1027 OE2 GLU A 68 18.408 -2.286 2.178 1.00 0.00 O ATOM 0 H GLU A 68 16.332 -6.432 4.486 1.00 0.00 H new ATOM 0 HA GLU A 68 17.502 -6.588 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.556 -5.722 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.477 -5.528 3.190 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.694 -4.461 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.824 -3.632 4.202 1.00 0.00 H new ATOM 1034 N SER A 69 18.466 -8.894 3.987 1.00 0.00 N ATOM 1035 CA SER A 69 19.284 -10.094 4.124 1.00 0.00 C ATOM 1036 C SER A 69 18.617 -11.287 3.445 1.00 0.00 C ATOM 1037 O SER A 69 18.601 -12.392 3.985 1.00 0.00 O ATOM 1038 CB SER A 69 19.529 -10.402 5.602 1.00 0.00 C ATOM 1039 OG SER A 69 18.418 -11.072 6.175 1.00 0.00 O ATOM 0 H SER A 69 17.731 -8.803 4.688 1.00 0.00 H new ATOM 0 HA SER A 69 20.241 -9.911 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.422 -11.018 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.717 -9.475 6.143 1.00 0.00 H new ATOM 0 HG SER A 69 18.301 -11.942 5.740 1.00 0.00 H new ATOM 1045 N LYS A 70 18.069 -11.054 2.257 1.00 0.00 N ATOM 1046 CA LYS A 70 17.403 -12.110 1.503 1.00 0.00 C ATOM 1047 C LYS A 70 17.491 -11.847 0.003 1.00 0.00 C ATOM 1048 O LYS A 70 16.594 -12.219 -0.755 1.00 0.00 O ATOM 1049 CB LYS A 70 15.937 -12.221 1.929 1.00 0.00 C ATOM 1050 CG LYS A 70 15.753 -12.713 3.355 1.00 0.00 C ATOM 1051 CD LYS A 70 16.281 -14.128 3.527 1.00 0.00 C ATOM 1052 CE LYS A 70 16.051 -14.639 4.940 1.00 0.00 C ATOM 1053 NZ LYS A 70 14.666 -14.366 5.411 1.00 0.00 N ATOM 0 H LYS A 70 18.073 -10.144 1.796 1.00 0.00 H new ATOM 0 HA LYS A 70 17.909 -13.051 1.718 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.463 -11.245 1.826 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.420 -12.899 1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.271 -12.044 4.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.696 -12.683 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.789 -14.790 2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 70 17.347 -14.150 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 70 16.241 -15.712 4.973 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.764 -14.168 5.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.413 -15.044 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.612 -13.399 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.003 -14.464 4.616 1.00 0.00 H new ATOM 1067 N LYS A 71 18.576 -11.206 -0.418 1.00 0.00 N ATOM 1068 CA LYS A 71 18.781 -10.895 -1.828 1.00 0.00 C ATOM 1069 C LYS A 71 18.899 -12.171 -2.655 1.00 0.00 C ATOM 1070 O LYS A 71 19.384 -13.193 -2.171 1.00 0.00 O ATOM 1071 CB LYS A 71 20.036 -10.040 -2.005 1.00 0.00 C ATOM 1072 CG LYS A 71 19.826 -8.573 -1.665 1.00 0.00 C ATOM 1073 CD LYS A 71 19.521 -7.752 -2.908 1.00 0.00 C ATOM 1074 CE LYS A 71 20.769 -7.071 -3.446 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.055 -5.792 -2.738 1.00 0.00 N ATOM 0 H LYS A 71 19.327 -10.892 0.197 1.00 0.00 H new ATOM 0 HA LYS A 71 17.915 -10.334 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.830 -10.440 -1.375 1.00 0.00 H new ATOM 0 HB3 LYS A 71 20.377 -10.120 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.006 -8.477 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.718 -8.180 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.098 -8.398 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.768 -7.000 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 71 21.622 -7.742 -3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.645 -6.876 -4.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.914 -5.360 -3.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.253 -5.142 -2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.199 -5.980 -1.725 1.00 0.00 H new ATOM 1089 N ARG A 72 18.454 -12.103 -3.905 1.00 0.00 N ATOM 1090 CA ARG A 72 18.510 -13.253 -4.799 1.00 0.00 C ATOM 1091 C ARG A 72 18.160 -12.851 -6.228 1.00 0.00 C ATOM 1092 O ARG A 72 17.973 -11.671 -6.523 1.00 0.00 O ATOM 1093 CB ARG A 72 17.556 -14.348 -4.317 1.00 0.00 C ATOM 1094 CG ARG A 72 16.092 -13.934 -4.345 1.00 0.00 C ATOM 1095 CD ARG A 72 15.203 -15.043 -4.886 1.00 0.00 C ATOM 1096 NE ARG A 72 14.235 -15.502 -3.893 1.00 0.00 N ATOM 1097 CZ ARG A 72 13.108 -14.857 -3.602 1.00 0.00 C ATOM 1098 NH1 ARG A 72 12.804 -13.725 -4.225 1.00 0.00 N ATOM 1099 NH2 ARG A 72 12.282 -15.344 -2.686 1.00 0.00 N ATOM 0 H ARG A 72 18.051 -11.264 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 72 19.530 -13.638 -4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.687 -15.233 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 72 17.826 -14.632 -3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.770 -13.668 -3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.978 -13.043 -4.962 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.674 -14.685 -5.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.822 -15.882 -5.203 1.00 0.00 H new ATOM 0 HE ARG A 72 14.435 -16.368 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.435 -13.346 -4.930 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.939 -13.235 -3.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.510 -16.213 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.418 -14.849 -2.463 1.00 0.00 H new ATOM 1113 N LYS A 73 18.071 -13.841 -7.111 1.00 0.00 N ATOM 1114 CA LYS A 73 17.742 -13.591 -8.510 1.00 0.00 C ATOM 1115 C LYS A 73 16.325 -14.058 -8.826 1.00 0.00 C ATOM 1116 O LYS A 73 15.556 -14.391 -7.925 1.00 0.00 O ATOM 1117 CB LYS A 73 18.742 -14.301 -9.425 1.00 0.00 C ATOM 1118 CG LYS A 73 20.194 -14.075 -9.033 1.00 0.00 C ATOM 1119 CD LYS A 73 20.849 -13.016 -9.906 1.00 0.00 C ATOM 1120 CE LYS A 73 22.353 -13.217 -9.991 1.00 0.00 C ATOM 1121 NZ LYS A 73 22.931 -12.576 -11.205 1.00 0.00 N ATOM 0 H LYS A 73 18.222 -14.824 -6.882 1.00 0.00 H new ATOM 0 HA LYS A 73 17.799 -12.517 -8.686 1.00 0.00 H new ATOM 0 HB2 LYS A 73 18.534 -15.371 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS A 73 18.593 -13.957 -10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 73 20.246 -13.770 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 73 20.745 -15.011 -9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 73 20.419 -13.051 -10.907 1.00 0.00 H new ATOM 0 HD3 LYS A 73 20.635 -12.027 -9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 73 22.826 -12.801 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 73 22.577 -14.284 -10.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 23.680 -11.912 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 23.332 -13.307 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 22.185 -12.060 -11.714 1.00 0.00 H new ATOM 1135 N ASP A 74 15.986 -14.080 -10.111 1.00 0.00 N ATOM 1136 CA ASP A 74 14.661 -14.507 -10.545 1.00 0.00 C ATOM 1137 C ASP A 74 14.741 -15.785 -11.375 1.00 0.00 C ATOM 1138 O ASP A 74 13.874 -16.049 -12.208 1.00 0.00 O ATOM 1139 CB ASP A 74 13.987 -13.399 -11.357 1.00 0.00 C ATOM 1140 CG ASP A 74 12.474 -13.460 -11.273 1.00 0.00 C ATOM 1141 OD1 ASP A 74 11.925 -14.582 -11.248 1.00 0.00 O ATOM 1142 OD2 ASP A 74 11.838 -12.387 -11.234 1.00 0.00 O ATOM 0 H ASP A 74 16.611 -13.807 -10.870 1.00 0.00 H new ATOM 0 HA ASP A 74 14.065 -14.712 -9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.329 -12.429 -10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.294 -13.478 -12.400 1.00 0.00 H new ATOM 1147 N ASN A 75 15.788 -16.576 -11.141 1.00 0.00 N ATOM 1148 CA ASN A 75 15.988 -17.832 -11.866 1.00 0.00 C ATOM 1149 C ASN A 75 16.496 -17.590 -13.288 1.00 0.00 C ATOM 1150 O ASN A 75 16.726 -18.538 -14.039 1.00 0.00 O ATOM 1151 CB ASN A 75 14.686 -18.636 -11.914 1.00 0.00 C ATOM 1152 CG ASN A 75 14.930 -20.126 -12.049 1.00 0.00 C ATOM 1153 OD1 ASN A 75 15.085 -20.643 -13.155 1.00 0.00 O ATOM 1154 ND2 ASN A 75 14.966 -20.824 -10.920 1.00 0.00 N ATOM 0 H ASN A 75 16.513 -16.369 -10.454 1.00 0.00 H new ATOM 0 HA ASN A 75 16.746 -18.400 -11.327 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.111 -18.446 -11.008 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.081 -18.292 -12.753 1.00 0.00 H new ATOM 0 HD21 ASN A 75 15.127 -21.831 -10.948 1.00 0.00 H new ATOM 0 HD22 ASN A 75 14.832 -20.353 -10.025 1.00 0.00 H new ATOM 1161 N GLU A 76 16.671 -16.323 -13.657 1.00 0.00 N ATOM 1162 CA GLU A 76 17.151 -15.975 -14.989 1.00 0.00 C ATOM 1163 C GLU A 76 18.588 -15.479 -14.928 1.00 0.00 C ATOM 1164 O GLU A 76 19.362 -15.654 -15.870 1.00 0.00 O ATOM 1165 CB GLU A 76 16.257 -14.900 -15.613 1.00 0.00 C ATOM 1166 CG GLU A 76 14.833 -14.901 -15.084 1.00 0.00 C ATOM 1167 CD GLU A 76 13.966 -13.843 -15.737 1.00 0.00 C ATOM 1168 OE1 GLU A 76 13.518 -14.065 -16.881 1.00 0.00 O ATOM 1169 OE2 GLU A 76 13.736 -12.791 -15.104 1.00 0.00 O ATOM 0 H GLU A 76 16.487 -15.523 -13.052 1.00 0.00 H new ATOM 0 HA GLU A 76 17.115 -16.871 -15.609 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.701 -13.921 -15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 76 16.233 -15.043 -16.693 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.389 -15.882 -15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.850 -14.737 -14.007 1.00 0.00 H new ATOM 1176 N GLY A 77 18.931 -14.857 -13.811 1.00 0.00 N ATOM 1177 CA GLY A 77 20.274 -14.335 -13.628 1.00 0.00 C ATOM 1178 C GLY A 77 20.286 -12.836 -13.395 1.00 0.00 C ATOM 1179 O GLY A 77 21.236 -12.151 -13.775 1.00 0.00 O ATOM 0 H GLY A 77 18.302 -14.702 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 77 20.743 -14.835 -12.781 1.00 0.00 H new ATOM 0 HA3 GLY A 77 20.874 -14.568 -14.508 1.00 0.00 H new ATOM 1183 N ASN A 78 19.230 -12.326 -12.771 1.00 0.00 N ATOM 1184 CA ASN A 78 19.123 -10.899 -12.488 1.00 0.00 C ATOM 1185 C ASN A 78 18.908 -10.656 -10.998 1.00 0.00 C ATOM 1186 O ASN A 78 17.888 -11.050 -10.435 1.00 0.00 O ATOM 1187 CB ASN A 78 17.973 -10.284 -13.288 1.00 0.00 C ATOM 1188 CG ASN A 78 18.010 -10.679 -14.751 1.00 0.00 C ATOM 1189 OD1 ASN A 78 17.079 -11.302 -15.261 1.00 0.00 O ATOM 1190 ND2 ASN A 78 19.090 -10.319 -15.434 1.00 0.00 N ATOM 0 H ASN A 78 18.435 -12.880 -12.451 1.00 0.00 H new ATOM 0 HA ASN A 78 20.058 -10.423 -12.785 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.024 -10.598 -12.854 1.00 0.00 H new ATOM 0 HB3 ASN A 78 18.017 -9.198 -13.207 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.172 -10.558 -16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 78 19.838 -9.803 -14.971 1.00 0.00 H new ATOM 1197 N GLU A 79 19.878 -10.003 -10.364 1.00 0.00 N ATOM 1198 CA GLU A 79 19.795 -9.708 -8.938 1.00 0.00 C ATOM 1199 C GLU A 79 18.569 -8.854 -8.630 1.00 0.00 C ATOM 1200 O GLU A 79 18.468 -7.711 -9.075 1.00 0.00 O ATOM 1201 CB GLU A 79 21.062 -8.989 -8.470 1.00 0.00 C ATOM 1202 CG GLU A 79 21.453 -9.315 -7.039 1.00 0.00 C ATOM 1203 CD GLU A 79 22.501 -8.366 -6.490 1.00 0.00 C ATOM 1204 OE1 GLU A 79 23.194 -7.715 -7.300 1.00 0.00 O ATOM 1205 OE2 GLU A 79 22.628 -8.274 -5.251 1.00 0.00 O ATOM 0 H GLU A 79 20.729 -9.669 -10.815 1.00 0.00 H new ATOM 0 HA GLU A 79 19.702 -10.652 -8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.886 -9.254 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 79 20.914 -7.913 -8.561 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.566 -9.277 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 79 21.833 -10.336 -6.994 1.00 0.00 H new ATOM 1212 N VAL A 80 17.639 -9.418 -7.865 1.00 0.00 N ATOM 1213 CA VAL A 80 16.420 -8.710 -7.497 1.00 0.00 C ATOM 1214 C VAL A 80 16.190 -8.757 -5.990 1.00 0.00 C ATOM 1215 O VAL A 80 17.035 -9.245 -5.238 1.00 0.00 O ATOM 1216 CB VAL A 80 15.189 -9.297 -8.219 1.00 0.00 C ATOM 1217 CG1 VAL A 80 15.377 -9.237 -9.727 1.00 0.00 C ATOM 1218 CG2 VAL A 80 14.929 -10.726 -7.764 1.00 0.00 C ATOM 0 H VAL A 80 17.707 -10.363 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 80 16.549 -7.673 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 80 14.318 -8.695 -7.958 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.499 -9.655 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.507 -8.200 -10.036 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.259 -9.813 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 80 14.057 -11.121 -8.285 1.00 0.00 H new ATOM 0 HG22 VAL A 80 15.798 -11.344 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.746 -10.738 -6.690 1.00 0.00 H new ATOM 1228 N VAL A 81 15.043 -8.249 -5.553 1.00 0.00 N ATOM 1229 CA VAL A 81 14.702 -8.234 -4.136 1.00 0.00 C ATOM 1230 C VAL A 81 13.427 -9.035 -3.872 1.00 0.00 C ATOM 1231 O VAL A 81 12.470 -8.959 -4.643 1.00 0.00 O ATOM 1232 CB VAL A 81 14.509 -6.796 -3.619 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.299 -6.789 -2.112 1.00 0.00 C ATOM 1234 CG2 VAL A 81 15.696 -5.925 -4.003 1.00 0.00 C ATOM 0 H VAL A 81 14.333 -7.842 -6.161 1.00 0.00 H new ATOM 0 HA VAL A 81 15.535 -8.693 -3.603 1.00 0.00 H new ATOM 0 HB VAL A 81 13.616 -6.381 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.165 -5.763 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.412 -7.373 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.169 -7.225 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.541 -4.913 -3.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.606 -6.337 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.793 -5.900 -5.088 1.00 0.00 H new ATOM 1244 N PRO A 82 13.394 -9.817 -2.778 1.00 0.00 N ATOM 1245 CA PRO A 82 12.225 -10.629 -2.425 1.00 0.00 C ATOM 1246 C PRO A 82 10.936 -9.812 -2.414 1.00 0.00 C ATOM 1247 O PRO A 82 10.854 -8.773 -1.760 1.00 0.00 O ATOM 1248 CB PRO A 82 12.552 -11.133 -1.019 1.00 0.00 C ATOM 1249 CG PRO A 82 14.040 -11.128 -0.953 1.00 0.00 C ATOM 1250 CD PRO A 82 14.489 -9.970 -1.800 1.00 0.00 C ATOM 0 HA PRO A 82 12.050 -11.427 -3.146 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.119 -10.486 -0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 82 12.151 -12.133 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 82 14.384 -11.016 0.075 1.00 0.00 H new ATOM 0 HG3 PRO A 82 14.450 -12.066 -1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 82 14.626 -9.067 -1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.440 -10.176 -2.291 1.00 0.00 H new ATOM 1258 N LYS A 83 9.934 -10.291 -3.144 1.00 0.00 N ATOM 1259 CA LYS A 83 8.648 -9.606 -3.220 1.00 0.00 C ATOM 1260 C LYS A 83 8.026 -9.448 -1.833 1.00 0.00 C ATOM 1261 O LYS A 83 7.580 -10.424 -1.231 1.00 0.00 O ATOM 1262 CB LYS A 83 7.692 -10.380 -4.131 1.00 0.00 C ATOM 1263 CG LYS A 83 7.675 -11.875 -3.863 1.00 0.00 C ATOM 1264 CD LYS A 83 8.475 -12.639 -4.908 1.00 0.00 C ATOM 1265 CE LYS A 83 7.573 -13.207 -5.993 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.404 -12.258 -7.128 1.00 0.00 N ATOM 0 H LYS A 83 9.987 -11.150 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 83 8.819 -8.613 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.684 -9.985 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.974 -10.209 -5.170 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.086 -12.073 -2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.645 -12.233 -3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.215 -11.977 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.023 -13.449 -4.428 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.994 -14.143 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.597 -13.442 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.783 -12.683 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.979 -11.374 -6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.332 -12.053 -7.551 1.00 0.00 H new ATOM 1280 N PRO A 84 7.982 -8.210 -1.303 1.00 0.00 N ATOM 1281 CA PRO A 84 7.407 -7.936 0.017 1.00 0.00 C ATOM 1282 C PRO A 84 5.893 -8.103 0.036 1.00 0.00 C ATOM 1283 O PRO A 84 5.289 -8.479 -0.968 1.00 0.00 O ATOM 1284 CB PRO A 84 7.778 -6.477 0.273 1.00 0.00 C ATOM 1285 CG PRO A 84 7.923 -5.890 -1.083 1.00 0.00 C ATOM 1286 CD PRO A 84 8.485 -6.982 -1.947 1.00 0.00 C ATOM 0 HA PRO A 84 7.783 -8.626 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 84 7.006 -5.965 0.847 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.704 -6.396 0.842 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.962 -5.546 -1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.587 -5.025 -1.065 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.141 -6.898 -2.978 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.574 -6.957 -1.971 1.00 0.00 H new ATOM 1294 N GLN A 85 5.281 -7.811 1.179 1.00 0.00 N ATOM 1295 CA GLN A 85 3.834 -7.918 1.318 1.00 0.00 C ATOM 1296 C GLN A 85 3.146 -6.776 0.581 1.00 0.00 C ATOM 1297 O GLN A 85 3.303 -5.609 0.940 1.00 0.00 O ATOM 1298 CB GLN A 85 3.435 -7.905 2.794 1.00 0.00 C ATOM 1299 CG GLN A 85 4.172 -8.935 3.634 1.00 0.00 C ATOM 1300 CD GLN A 85 3.315 -9.499 4.750 1.00 0.00 C ATOM 1301 OE1 GLN A 85 3.237 -10.713 4.937 1.00 0.00 O ATOM 1302 NE2 GLN A 85 2.664 -8.616 5.500 1.00 0.00 N ATOM 0 H GLN A 85 5.764 -7.499 2.021 1.00 0.00 H new ATOM 0 HA GLN A 85 3.515 -8.863 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.623 -6.913 3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.363 -8.084 2.873 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.507 -9.749 2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.064 -8.478 4.062 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.757 -7.618 5.310 1.00 0.00 H new ATOM 0 HE22 GLN A 85 2.071 -8.936 6.266 1.00 0.00 H new ATOM 1311 N ARG A 86 2.394 -7.116 -0.459 1.00 0.00 N ATOM 1312 CA ARG A 86 1.694 -6.114 -1.253 1.00 0.00 C ATOM 1313 C ARG A 86 0.190 -6.156 -1.005 1.00 0.00 C ATOM 1314 O ARG A 86 -0.479 -7.134 -1.339 1.00 0.00 O ATOM 1315 CB ARG A 86 1.980 -6.326 -2.741 1.00 0.00 C ATOM 1316 CG ARG A 86 3.343 -5.811 -3.177 1.00 0.00 C ATOM 1317 CD ARG A 86 4.162 -6.899 -3.856 1.00 0.00 C ATOM 1318 NE ARG A 86 4.071 -6.825 -5.312 1.00 0.00 N ATOM 1319 CZ ARG A 86 4.925 -7.424 -6.140 1.00 0.00 C ATOM 1320 NH1 ARG A 86 5.932 -8.141 -5.659 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.769 -7.305 -7.451 1.00 0.00 N ATOM 0 H ARG A 86 2.253 -8.077 -0.772 1.00 0.00 H new ATOM 0 HA ARG A 86 2.061 -5.134 -0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.913 -7.390 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.208 -5.826 -3.326 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.214 -4.972 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.885 -5.435 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.205 -6.810 -3.553 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.815 -7.876 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 86 3.309 -6.283 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.055 -8.236 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.583 -8.598 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.995 -6.755 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.422 -7.763 -8.086 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.338 -5.079 -0.432 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.766 -4.983 -0.152 1.00 0.00 C ATOM 1337 C HIS A 87 -2.480 -4.291 -1.308 1.00 0.00 C ATOM 1338 O HIS A 87 -2.289 -3.099 -1.543 1.00 0.00 O ATOM 1339 CB HIS A 87 -2.006 -4.215 1.149 1.00 0.00 C ATOM 1340 CG HIS A 87 -1.246 -4.765 2.317 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -0.264 -4.217 3.072 1.00 0.00 N flip ATOM 1342 CD2 HIS A 87 -1.465 -6.025 2.831 1.00 0.00 C flip ATOM 1343 CE1 HIS A 87 0.087 -5.147 4.018 1.00 0.00 C flip ATOM 1344 NE2 HIS A 87 -0.652 -6.229 3.853 1.00 0.00 N flip ATOM 0 H HIS A 87 0.202 -4.260 -0.152 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.167 -5.990 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.726 -3.172 1.003 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.071 -4.230 1.379 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.188 -6.735 2.457 1.00 0.00 H new ATOM 0 HE1 HIS A 87 0.845 -5.015 4.775 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.604 -7.077 4.418 1.00 0.00 H new ATOM 1353 N MET A 88 -3.294 -5.050 -2.035 1.00 0.00 N ATOM 1354 CA MET A 88 -4.021 -4.507 -3.176 1.00 0.00 C ATOM 1355 C MET A 88 -5.352 -3.896 -2.752 1.00 0.00 C ATOM 1356 O MET A 88 -6.284 -4.608 -2.377 1.00 0.00 O ATOM 1357 CB MET A 88 -4.261 -5.601 -4.218 1.00 0.00 C ATOM 1358 CG MET A 88 -4.554 -5.062 -5.609 1.00 0.00 C ATOM 1359 SD MET A 88 -3.791 -6.048 -6.912 1.00 0.00 S ATOM 1360 CE MET A 88 -2.906 -4.782 -7.820 1.00 0.00 C ATOM 0 H MET A 88 -3.466 -6.039 -1.855 1.00 0.00 H new ATOM 0 HA MET A 88 -3.410 -3.717 -3.613 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.383 -6.246 -4.265 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.096 -6.222 -3.895 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.633 -5.035 -5.764 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.196 -4.035 -5.679 1.00 0.00 H new ATOM 0 HE1 MET A 88 -3.433 -4.565 -8.749 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.846 -3.876 -7.217 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.900 -5.134 -8.047 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.435 -2.571 -2.829 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.653 -1.856 -2.472 1.00 0.00 C ATOM 1372 C PHE A 89 -7.198 -1.115 -3.687 1.00 0.00 C ATOM 1373 O PHE A 89 -6.446 -0.473 -4.419 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.380 -0.872 -1.334 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.956 -1.537 -0.056 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.869 -2.250 0.705 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.646 -1.449 0.383 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.481 -2.864 1.882 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.252 -2.060 1.559 1.00 0.00 C ATOM 1380 CZ PHE A 89 -5.171 -2.768 2.309 1.00 0.00 C ATOM 0 H PHE A 89 -4.670 -1.971 -3.137 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.396 -2.579 -2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.603 -0.174 -1.646 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.280 -0.285 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.895 -2.327 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.924 -0.897 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.201 -3.418 2.466 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.227 -1.984 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.866 -3.246 3.228 1.00 0.00 H new ATOM 1390 N SER A 90 -8.504 -1.213 -3.905 1.00 0.00 N ATOM 1391 CA SER A 90 -9.133 -0.556 -5.044 1.00 0.00 C ATOM 1392 C SER A 90 -10.033 0.587 -4.592 1.00 0.00 C ATOM 1393 O SER A 90 -10.830 0.436 -3.668 1.00 0.00 O ATOM 1394 CB SER A 90 -9.942 -1.566 -5.858 1.00 0.00 C ATOM 1395 OG SER A 90 -10.840 -0.912 -6.738 1.00 0.00 O ATOM 0 H SER A 90 -9.145 -1.739 -3.311 1.00 0.00 H new ATOM 0 HA SER A 90 -8.343 -0.142 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.266 -2.201 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.498 -2.218 -5.184 1.00 0.00 H new ATOM 0 HG SER A 90 -11.344 -1.581 -7.248 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.899 1.731 -5.255 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.703 2.903 -4.928 1.00 0.00 C ATOM 1403 C PHE A 91 -11.665 3.232 -6.066 1.00 0.00 C ATOM 1404 O PHE A 91 -11.398 2.919 -7.225 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.798 4.098 -4.633 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.129 4.013 -3.291 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.139 3.074 -3.054 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.498 4.867 -2.266 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.527 2.990 -1.818 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.891 4.789 -1.028 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.904 3.849 -0.802 1.00 0.00 C ATOM 0 H PHE A 91 -9.241 1.871 -6.022 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.291 2.680 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.035 4.169 -5.409 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.388 5.013 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.842 2.400 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.270 5.603 -2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.755 2.254 -1.646 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.188 5.462 -0.237 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.428 3.785 0.165 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.790 3.856 -5.727 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.794 4.211 -6.725 1.00 0.00 C ATOM 1423 C ASN A 92 -13.838 5.716 -6.970 1.00 0.00 C ATOM 1424 O ASN A 92 -14.224 6.167 -8.048 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.173 3.715 -6.287 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.475 2.320 -6.799 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.906 1.876 -7.797 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.375 1.621 -6.118 1.00 0.00 N ATOM 0 H ASN A 92 -13.028 4.125 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.514 3.727 -7.660 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.229 3.720 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.936 4.405 -6.648 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.619 0.677 -6.416 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.822 2.028 -5.297 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.446 6.487 -5.967 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.447 7.942 -6.079 1.00 0.00 C ATOM 1437 C ASN A 93 -12.025 8.483 -6.199 1.00 0.00 C ATOM 1438 O ASN A 93 -11.057 7.783 -5.903 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.150 8.568 -4.872 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.483 9.191 -5.239 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.725 9.531 -6.397 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.357 9.343 -4.251 1.00 0.00 N ATOM 0 H ASN A 93 -13.123 6.132 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.991 8.211 -6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.306 7.805 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.505 9.329 -4.433 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.271 9.756 -4.438 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.114 9.047 -3.306 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.910 9.732 -6.639 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.609 10.371 -6.804 1.00 0.00 C ATOM 1451 C ARG A 94 -10.191 11.099 -5.532 1.00 0.00 C ATOM 1452 O ARG A 94 -9.019 11.094 -5.156 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.646 11.354 -7.974 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.637 12.492 -7.785 1.00 0.00 C ATOM 1455 CD ARG A 94 -10.964 13.722 -7.199 1.00 0.00 C ATOM 1456 NE ARG A 94 -10.331 14.543 -8.229 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.747 15.715 -7.989 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -9.716 16.208 -6.757 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.194 16.396 -8.983 1.00 0.00 N ATOM 0 H ARG A 94 -12.703 10.323 -6.888 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.876 9.591 -7.012 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -9.650 11.772 -8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.899 10.811 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.090 12.745 -8.744 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.444 12.169 -7.127 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.702 14.318 -6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.214 13.413 -6.471 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.337 14.198 -9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.141 15.688 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.267 17.106 -6.578 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.216 16.022 -9.932 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.747 17.294 -8.799 1.00 0.00 H new ATOM 1473 N THR A 95 -11.155 11.733 -4.878 1.00 0.00 N ATOM 1474 CA THR A 95 -10.905 12.470 -3.664 1.00 0.00 C ATOM 1475 C THR A 95 -10.598 11.536 -2.497 1.00 0.00 C ATOM 1476 O THR A 95 -9.589 11.698 -1.811 1.00 0.00 O ATOM 1477 CB THR A 95 -12.121 13.322 -3.354 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.958 13.439 -4.492 1.00 0.00 O ATOM 1479 CG2 THR A 95 -11.773 14.714 -2.903 1.00 0.00 C ATOM 0 H THR A 95 -12.129 11.746 -5.181 1.00 0.00 H new ATOM 0 HA THR A 95 -10.030 13.104 -3.808 1.00 0.00 H new ATOM 0 HB THR A 95 -12.631 12.808 -2.539 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.737 13.991 -4.270 1.00 0.00 H new ATOM 0 HG21 THR A 95 -12.688 15.270 -2.698 1.00 0.00 H new ATOM 0 HG22 THR A 95 -11.169 14.663 -1.997 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.209 15.220 -3.687 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.473 10.559 -2.275 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.287 9.605 -1.188 1.00 0.00 C ATOM 1489 C VAL A 96 -9.930 8.918 -1.287 1.00 0.00 C ATOM 1490 O VAL A 96 -9.199 8.825 -0.301 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.403 8.542 -1.168 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -12.384 7.716 -2.445 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -12.269 7.647 0.055 1.00 0.00 C ATOM 0 H VAL A 96 -12.314 10.408 -2.831 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.332 10.172 -0.258 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.363 9.056 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.180 6.972 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.537 8.370 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -11.421 7.213 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -13.066 6.903 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.303 7.143 0.033 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -12.342 8.252 0.959 1.00 0.00 H new ATOM 1503 N MET A 97 -9.590 8.450 -2.484 1.00 0.00 N ATOM 1504 CA MET A 97 -8.310 7.790 -2.697 1.00 0.00 C ATOM 1505 C MET A 97 -7.175 8.774 -2.476 1.00 0.00 C ATOM 1506 O MET A 97 -6.105 8.415 -1.983 1.00 0.00 O ATOM 1507 CB MET A 97 -8.229 7.203 -4.107 1.00 0.00 C ATOM 1508 CG MET A 97 -8.450 8.223 -5.210 1.00 0.00 C ATOM 1509 SD MET A 97 -6.939 9.099 -5.660 1.00 0.00 S ATOM 1510 CE MET A 97 -7.068 9.102 -7.447 1.00 0.00 C ATOM 0 H MET A 97 -10.179 8.515 -3.314 1.00 0.00 H new ATOM 0 HA MET A 97 -8.220 6.974 -1.980 1.00 0.00 H new ATOM 0 HB2 MET A 97 -7.251 6.742 -4.243 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.971 6.411 -4.204 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.849 7.719 -6.090 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.201 8.944 -4.887 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.272 9.716 -7.868 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.976 8.082 -7.820 1.00 0.00 H new ATOM 0 HE3 MET A 97 -8.035 9.510 -7.741 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.427 10.021 -2.840 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.442 11.081 -2.681 1.00 0.00 C ATOM 1522 C ASP A 98 -6.108 11.279 -1.207 1.00 0.00 C ATOM 1523 O ASP A 98 -4.974 11.607 -0.856 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.964 12.389 -3.282 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.359 12.681 -4.641 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -6.757 12.022 -5.623 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.486 13.572 -4.722 1.00 0.00 O ATOM 0 H ASP A 98 -8.310 10.326 -3.250 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.534 10.790 -3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.049 12.336 -3.374 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.741 13.212 -2.603 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.101 11.073 -0.347 1.00 0.00 N ATOM 1533 CA ASN A 99 -6.909 11.223 1.091 1.00 0.00 C ATOM 1534 C ASN A 99 -5.991 10.129 1.628 1.00 0.00 C ATOM 1535 O ASN A 99 -5.046 10.405 2.366 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.256 11.178 1.815 1.00 0.00 C ATOM 1537 CG ASN A 99 -8.952 12.524 1.825 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.191 13.104 2.885 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -9.281 13.030 0.643 1.00 0.00 N ATOM 0 H ASN A 99 -8.045 10.802 -0.621 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.441 12.190 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.900 10.443 1.333 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.103 10.844 2.841 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.751 13.934 0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -9.064 12.515 -0.210 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.276 8.888 1.248 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.475 7.752 1.686 1.00 0.00 C ATOM 1548 C ILE A 100 -4.041 7.871 1.181 1.00 0.00 C ATOM 1549 O ILE A 100 -3.088 7.724 1.946 1.00 0.00 O ATOM 1550 CB ILE A 100 -6.073 6.418 1.192 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -7.534 6.297 1.626 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -5.264 5.237 1.712 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.716 6.236 3.126 1.00 0.00 C ATOM 0 H ILE A 100 -7.056 8.644 0.638 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.479 7.760 2.776 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.031 6.407 0.103 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.092 7.147 1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.964 5.401 1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.704 4.307 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.237 5.315 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.271 5.243 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.777 6.151 3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.186 5.370 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.316 7.144 3.578 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.898 8.130 -0.113 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.581 8.261 -0.730 1.00 0.00 C ATOM 1567 C LYS A 101 -1.716 9.281 0.006 1.00 0.00 C ATOM 1568 O LYS A 101 -0.520 9.066 0.202 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.725 8.666 -2.198 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.398 8.769 -2.934 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.463 9.790 -4.059 1.00 0.00 C ATOM 1572 CE LYS A 101 -0.896 11.133 -3.626 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.624 12.270 -4.253 1.00 0.00 N ATOM 0 H LYS A 101 -4.679 8.254 -0.758 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.087 7.291 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.358 7.938 -2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.237 9.627 -2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.612 9.049 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.130 7.794 -3.341 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.907 9.420 -4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.498 9.916 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.954 11.219 -2.541 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.159 11.185 -3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.208 13.168 -3.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.548 12.203 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.626 12.235 -3.977 1.00 0.00 H new ATOM 1587 N MET A 102 -2.324 10.395 0.405 1.00 0.00 N ATOM 1588 CA MET A 102 -1.599 11.448 1.109 1.00 0.00 C ATOM 1589 C MET A 102 -1.498 11.155 2.600 1.00 0.00 C ATOM 1590 O MET A 102 -0.476 11.424 3.231 1.00 0.00 O ATOM 1591 CB MET A 102 -2.279 12.800 0.888 1.00 0.00 C ATOM 1592 CG MET A 102 -3.640 12.918 1.557 1.00 0.00 C ATOM 1593 SD MET A 102 -4.438 14.503 1.235 1.00 0.00 S ATOM 1594 CE MET A 102 -4.812 14.347 -0.509 1.00 0.00 C ATOM 0 H MET A 102 -3.313 10.591 0.253 1.00 0.00 H new ATOM 0 HA MET A 102 -0.588 11.483 0.702 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.629 13.589 1.266 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.395 12.967 -0.183 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.285 12.113 1.204 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.524 12.786 2.633 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.676 15.312 -0.998 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.144 13.614 -0.960 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.845 14.021 -0.632 1.00 0.00 H new ATOM 1604 N THR A 103 -2.569 10.618 3.154 1.00 0.00 N ATOM 1605 CA THR A 103 -2.618 10.296 4.577 1.00 0.00 C ATOM 1606 C THR A 103 -1.683 9.143 4.918 1.00 0.00 C ATOM 1607 O THR A 103 -0.984 9.182 5.930 1.00 0.00 O ATOM 1608 CB THR A 103 -4.049 9.958 5.001 1.00 0.00 C ATOM 1609 OG1 THR A 103 -4.917 11.048 4.745 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.174 9.609 6.469 1.00 0.00 C ATOM 0 H THR A 103 -3.422 10.393 2.642 1.00 0.00 H new ATOM 0 HA THR A 103 -2.284 11.176 5.127 1.00 0.00 H new ATOM 0 HB THR A 103 -4.325 9.083 4.412 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.454 10.858 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.214 9.380 6.701 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.553 8.741 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.845 10.454 7.073 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.661 8.118 4.074 1.00 0.00 N ATOM 1619 CA LEU A 104 -0.792 6.976 4.309 1.00 0.00 C ATOM 1620 C LEU A 104 0.660 7.426 4.301 1.00 0.00 C ATOM 1621 O LEU A 104 1.375 7.264 5.290 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.023 5.890 3.256 1.00 0.00 C ATOM 1623 CG LEU A 104 -1.991 4.781 3.675 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.306 5.374 4.157 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -2.229 3.815 2.523 1.00 0.00 C ATOM 0 H LEU A 104 -2.230 8.056 3.229 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.028 6.552 5.285 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.402 6.359 2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.063 5.439 3.004 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.542 4.227 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.982 4.571 4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.120 6.023 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.760 5.954 3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.920 3.034 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.655 4.355 1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -1.283 3.364 2.225 1.00 0.00 H new ATOM 1637 N GLN A 105 1.081 8.019 3.186 1.00 0.00 N ATOM 1638 CA GLN A 105 2.445 8.518 3.054 1.00 0.00 C ATOM 1639 C GLN A 105 2.799 9.422 4.228 1.00 0.00 C ATOM 1640 O GLN A 105 3.959 9.516 4.626 1.00 0.00 O ATOM 1641 CB GLN A 105 2.611 9.279 1.738 1.00 0.00 C ATOM 1642 CG GLN A 105 1.708 10.495 1.620 1.00 0.00 C ATOM 1643 CD GLN A 105 1.854 11.204 0.289 1.00 0.00 C ATOM 1644 OE1 GLN A 105 2.226 12.377 0.235 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.563 10.496 -0.795 1.00 0.00 N ATOM 0 H GLN A 105 0.497 8.165 2.363 1.00 0.00 H new ATOM 0 HA GLN A 105 3.123 7.664 3.053 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.649 9.597 1.640 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.406 8.602 0.908 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.671 10.186 1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.937 11.192 2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.258 9.527 -0.705 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.644 10.921 -1.719 1.00 0.00 H new ATOM 1654 N GLN A 106 1.785 10.073 4.793 1.00 0.00 N ATOM 1655 CA GLN A 106 1.994 10.951 5.936 1.00 0.00 C ATOM 1656 C GLN A 106 2.535 10.145 7.107 1.00 0.00 C ATOM 1657 O GLN A 106 3.348 10.630 7.896 1.00 0.00 O ATOM 1658 CB GLN A 106 0.690 11.655 6.325 1.00 0.00 C ATOM 1659 CG GLN A 106 0.671 13.138 5.983 1.00 0.00 C ATOM 1660 CD GLN A 106 1.895 13.873 6.494 1.00 0.00 C ATOM 1661 OE1 GLN A 106 1.943 14.296 7.650 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.894 14.029 5.633 1.00 0.00 N ATOM 0 H GLN A 106 0.817 10.008 4.479 1.00 0.00 H new ATOM 0 HA GLN A 106 2.721 11.717 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.142 11.164 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.529 11.536 7.396 1.00 0.00 H new ATOM 0 HG2 GLN A 106 0.607 13.256 4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.224 13.593 6.407 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.812 13.662 4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.743 14.515 5.920 1.00 0.00 H new ATOM 1671 N ILE A 107 2.092 8.899 7.191 1.00 0.00 N ATOM 1672 CA ILE A 107 2.535 7.990 8.237 1.00 0.00 C ATOM 1673 C ILE A 107 3.836 7.314 7.814 1.00 0.00 C ATOM 1674 O ILE A 107 4.734 7.092 8.624 1.00 0.00 O ATOM 1675 CB ILE A 107 1.467 6.917 8.534 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.195 7.568 9.082 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.004 5.882 9.511 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.067 7.109 8.384 1.00 0.00 C ATOM 0 H ILE A 107 1.420 8.492 6.541 1.00 0.00 H new ATOM 0 HA ILE A 107 2.698 8.570 9.145 1.00 0.00 H new ATOM 0 HB ILE A 107 1.220 6.409 7.602 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.113 7.347 10.146 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.280 8.650 8.987 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.236 5.134 9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.881 5.397 9.082 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.281 6.372 10.445 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.929 7.611 8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.006 7.354 7.324 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.176 6.031 8.501 1.00 0.00 H new ATOM 1690 N ILE A 108 3.923 7.005 6.525 1.00 0.00 N ATOM 1691 CA ILE A 108 5.108 6.371 5.958 1.00 0.00 C ATOM 1692 C ILE A 108 6.341 7.227 6.206 1.00 0.00 C ATOM 1693 O ILE A 108 7.305 6.790 6.833 1.00 0.00 O ATOM 1694 CB ILE A 108 4.950 6.170 4.438 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.623 5.480 4.131 1.00 0.00 C ATOM 1696 CG2 ILE A 108 6.118 5.376 3.877 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.499 4.993 2.702 1.00 0.00 C ATOM 0 H ILE A 108 3.181 7.185 5.848 1.00 0.00 H new ATOM 0 HA ILE A 108 5.225 5.402 6.444 1.00 0.00 H new ATOM 0 HB ILE A 108 4.948 7.148 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.502 4.632 4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.808 6.173 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.987 5.245 2.803 1.00 0.00 H new ATOM 0 HG22 ILE A 108 7.047 5.913 4.066 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.159 4.399 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.529 4.515 2.563 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.587 5.839 2.020 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.291 4.274 2.492 1.00 0.00 H new ATOM 1709 N SER A 109 6.292 8.454 5.703 1.00 0.00 N ATOM 1710 CA SER A 109 7.398 9.395 5.856 1.00 0.00 C ATOM 1711 C SER A 109 7.765 9.587 7.325 1.00 0.00 C ATOM 1712 O SER A 109 8.889 9.970 7.648 1.00 0.00 O ATOM 1713 CB SER A 109 7.037 10.743 5.229 1.00 0.00 C ATOM 1714 OG SER A 109 8.201 11.492 4.924 1.00 0.00 O ATOM 0 H SER A 109 5.496 8.823 5.183 1.00 0.00 H new ATOM 0 HA SER A 109 8.264 8.978 5.341 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.457 10.581 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 109 6.406 11.309 5.914 1.00 0.00 H new ATOM 0 HG SER A 109 7.943 12.348 4.523 1.00 0.00 H new ATOM 1720 N ARG A 110 6.812 9.314 8.210 1.00 0.00 N ATOM 1721 CA ARG A 110 7.036 9.453 9.645 1.00 0.00 C ATOM 1722 C ARG A 110 8.224 8.604 10.088 1.00 0.00 C ATOM 1723 O ARG A 110 9.128 9.085 10.771 1.00 0.00 O ATOM 1724 CB ARG A 110 5.765 9.064 10.416 1.00 0.00 C ATOM 1725 CG ARG A 110 5.874 7.773 11.220 1.00 0.00 C ATOM 1726 CD ARG A 110 4.596 7.490 11.993 1.00 0.00 C ATOM 1727 NE ARG A 110 4.260 8.573 12.914 1.00 0.00 N ATOM 1728 CZ ARG A 110 3.225 8.542 13.750 1.00 0.00 C ATOM 1729 NH1 ARG A 110 2.422 7.486 13.784 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.991 9.570 14.554 1.00 0.00 N ATOM 0 H ARG A 110 5.876 8.995 7.959 1.00 0.00 H new ATOM 0 HA ARG A 110 7.269 10.495 9.865 1.00 0.00 H new ATOM 0 HB2 ARG A 110 5.505 9.877 11.094 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.943 8.966 9.707 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.086 6.941 10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 110 6.712 7.844 11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.774 7.342 11.292 1.00 0.00 H new ATOM 0 HD3 ARG A 110 4.709 6.561 12.552 1.00 0.00 H new ATOM 0 HE ARG A 110 4.854 9.402 12.916 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.597 6.693 13.167 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.630 7.468 14.427 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.604 10.385 14.532 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.198 9.546 15.195 1.00 0.00 H new ATOM 1744 N TYR A 111 8.212 7.340 9.686 1.00 0.00 N ATOM 1745 CA TYR A 111 9.288 6.417 10.032 1.00 0.00 C ATOM 1746 C TYR A 111 10.546 6.736 9.233 1.00 0.00 C ATOM 1747 O TYR A 111 11.661 6.439 9.665 1.00 0.00 O ATOM 1748 CB TYR A 111 8.864 4.968 9.767 1.00 0.00 C ATOM 1749 CG TYR A 111 7.403 4.692 10.045 1.00 0.00 C ATOM 1750 CD1 TYR A 111 6.951 4.477 11.340 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.479 4.643 9.009 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.617 4.221 11.597 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.144 4.387 9.257 1.00 0.00 C ATOM 1754 CZ TYR A 111 4.718 4.177 10.552 1.00 0.00 C ATOM 1755 OH TYR A 111 3.390 3.919 10.804 1.00 0.00 O ATOM 0 H TYR A 111 7.470 6.929 9.120 1.00 0.00 H new ATOM 0 HA TYR A 111 9.502 6.535 11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.078 4.723 8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.472 4.304 10.382 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.653 4.510 12.160 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.809 4.808 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.281 4.056 12.610 1.00 0.00 H new ATOM 0 HE2 TYR A 111 4.438 4.352 8.441 1.00 0.00 H new ATOM 0 HH TYR A 111 3.211 4.028 11.761 1.00 0.00 H new ATOM 1765 N LYS A 112 10.360 7.338 8.062 1.00 0.00 N ATOM 1766 CA LYS A 112 11.476 7.695 7.198 1.00 0.00 C ATOM 1767 C LYS A 112 12.493 8.559 7.940 1.00 0.00 C ATOM 1768 O LYS A 112 13.618 8.129 8.196 1.00 0.00 O ATOM 1769 CB LYS A 112 10.972 8.433 5.956 1.00 0.00 C ATOM 1770 CG LYS A 112 11.864 8.258 4.739 1.00 0.00 C ATOM 1771 CD LYS A 112 11.470 7.031 3.929 1.00 0.00 C ATOM 1772 CE LYS A 112 11.352 7.354 2.447 1.00 0.00 C ATOM 1773 NZ LYS A 112 12.566 6.941 1.691 1.00 0.00 N ATOM 0 H LYS A 112 9.444 7.589 7.691 1.00 0.00 H new ATOM 0 HA LYS A 112 11.970 6.773 6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 112 9.970 8.079 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.888 9.495 6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.801 9.146 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.902 8.166 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.212 6.245 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.519 6.643 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.478 6.850 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.192 8.425 2.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.446 7.178 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.396 7.441 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.705 5.915 1.791 1.00 0.00 H new ATOM 1787 N ASP A 113 12.089 9.778 8.282 1.00 0.00 N ATOM 1788 CA ASP A 113 12.964 10.701 8.994 1.00 0.00 C ATOM 1789 C ASP A 113 13.404 10.112 10.331 1.00 0.00 C ATOM 1790 O ASP A 113 14.506 10.384 10.809 1.00 0.00 O ATOM 1791 CB ASP A 113 12.253 12.037 9.222 1.00 0.00 C ATOM 1792 CG ASP A 113 13.210 13.213 9.186 1.00 0.00 C ATOM 1793 OD1 ASP A 113 14.097 13.284 10.064 1.00 0.00 O ATOM 1794 OD2 ASP A 113 13.072 14.064 8.283 1.00 0.00 O ATOM 0 H ASP A 113 11.161 10.149 8.077 1.00 0.00 H new ATOM 0 HA ASP A 113 13.850 10.868 8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 113 11.486 12.172 8.459 1.00 0.00 H new ATOM 0 HB3 ASP A 113 11.744 12.015 10.186 1.00 0.00 H new ATOM 1799 N ALA A 114 12.535 9.305 10.931 1.00 0.00 N ATOM 1800 CA ALA A 114 12.834 8.677 12.213 1.00 0.00 C ATOM 1801 C ALA A 114 13.906 7.603 12.062 1.00 0.00 C ATOM 1802 O ALA A 114 14.721 7.394 12.961 1.00 0.00 O ATOM 1803 CB ALA A 114 11.570 8.082 12.816 1.00 0.00 C ATOM 0 H ALA A 114 11.618 9.071 10.550 1.00 0.00 H new ATOM 0 HA ALA A 114 13.218 9.445 12.885 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.807 7.616 13.773 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.834 8.871 12.969 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.162 7.332 12.139 1.00 0.00 H new ATOM 1809 N ASP A 115 13.900 6.925 10.919 1.00 0.00 N ATOM 1810 CA ASP A 115 14.873 5.873 10.649 1.00 0.00 C ATOM 1811 C ASP A 115 16.159 6.455 10.072 1.00 0.00 C ATOM 1812 O ASP A 115 16.195 7.679 9.826 1.00 0.00 O ATOM 1813 CB ASP A 115 14.286 4.844 9.682 1.00 0.00 C ATOM 1814 CG ASP A 115 14.838 3.451 9.915 1.00 0.00 C ATOM 1815 OD1 ASP A 115 16.070 3.275 9.805 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.039 2.537 10.209 1.00 0.00 O ATOM 0 H ASP A 115 13.232 7.085 10.165 1.00 0.00 H new ATOM 0 HA ASP A 115 15.110 5.381 11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.202 4.825 9.790 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.499 5.149 8.658 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 7.210 -4.391 -14.699 1.00 0.00 N ATOM 1823 CA TYR B 90 5.904 -4.991 -15.078 1.00 0.00 C ATOM 1824 C TYR B 90 4.741 -4.201 -14.488 1.00 0.00 C ATOM 1825 O TYR B 90 3.932 -3.628 -15.218 1.00 0.00 O ATOM 1826 CB TYR B 90 5.868 -6.436 -14.578 1.00 0.00 C ATOM 1827 CG TYR B 90 5.138 -7.381 -15.506 1.00 0.00 C ATOM 1828 CD1 TYR B 90 5.465 -7.452 -16.855 1.00 0.00 C ATOM 1829 CD2 TYR B 90 4.123 -8.203 -15.034 1.00 0.00 C ATOM 1830 CE1 TYR B 90 4.801 -8.314 -17.705 1.00 0.00 C ATOM 1831 CE2 TYR B 90 3.453 -9.067 -15.879 1.00 0.00 C ATOM 1832 CZ TYR B 90 3.796 -9.119 -17.213 1.00 0.00 C ATOM 1833 OH TYR B 90 3.132 -9.979 -18.058 1.00 0.00 O ATOM 0 HA TYR B 90 5.801 -4.965 -16.163 1.00 0.00 H new ATOM 0 HB2 TYR B 90 6.890 -6.790 -14.443 1.00 0.00 H new ATOM 0 HB3 TYR B 90 5.390 -6.461 -13.599 1.00 0.00 H new ATOM 0 HD1 TYR B 90 6.251 -6.823 -17.245 1.00 0.00 H new ATOM 0 HD2 TYR B 90 3.853 -8.166 -13.989 1.00 0.00 H new ATOM 0 HE1 TYR B 90 5.068 -8.357 -18.751 1.00 0.00 H new ATOM 0 HE2 TYR B 90 2.665 -9.698 -15.496 1.00 0.00 H new ATOM 0 HH TYR B 90 2.454 -10.475 -17.553 1.00 0.00 H new ATOM 1843 N ASP B 91 4.664 -4.174 -13.161 1.00 0.00 N ATOM 1844 CA ASP B 91 3.601 -3.454 -12.471 1.00 0.00 C ATOM 1845 C ASP B 91 3.904 -1.960 -12.411 1.00 0.00 C ATOM 1846 O ASP B 91 2.994 -1.131 -12.409 1.00 0.00 O ATOM 1847 CB ASP B 91 3.417 -4.006 -11.056 1.00 0.00 C ATOM 1848 CG ASP B 91 3.330 -5.518 -11.032 1.00 0.00 C ATOM 1849 OD1 ASP B 91 2.465 -6.074 -11.743 1.00 0.00 O ATOM 1850 OD2 ASP B 91 4.125 -6.148 -10.305 1.00 0.00 O ATOM 0 H ASP B 91 5.326 -4.643 -12.542 1.00 0.00 H new ATOM 0 HA ASP B 91 2.677 -3.596 -13.032 1.00 0.00 H new ATOM 0 HB2 ASP B 91 4.250 -3.683 -10.432 1.00 0.00 H new ATOM 0 HB3 ASP B 91 2.511 -3.586 -10.620 1.00 0.00 H new ATOM 1855 N SER B 92 5.189 -1.623 -12.363 1.00 0.00 N ATOM 1856 CA SER B 92 5.613 -0.229 -12.303 1.00 0.00 C ATOM 1857 C SER B 92 5.113 0.546 -13.519 1.00 0.00 C ATOM 1858 O SER B 92 4.875 1.752 -13.443 1.00 0.00 O ATOM 1859 CB SER B 92 7.138 -0.141 -12.222 1.00 0.00 C ATOM 1860 OG SER B 92 7.555 1.164 -11.859 1.00 0.00 O ATOM 0 H SER B 92 5.955 -2.297 -12.364 1.00 0.00 H new ATOM 0 HA SER B 92 5.181 0.217 -11.407 1.00 0.00 H new ATOM 0 HB2 SER B 92 7.509 -0.861 -11.492 1.00 0.00 H new ATOM 0 HB3 SER B 92 7.573 -0.410 -13.185 1.00 0.00 H new ATOM 0 HG SER B 92 8.533 1.194 -11.813 1.00 0.00 H new ATOM 1866 N GLU B 93 4.954 -0.153 -14.638 1.00 0.00 N ATOM 1867 CA GLU B 93 4.482 0.471 -15.870 1.00 0.00 C ATOM 1868 C GLU B 93 3.110 1.106 -15.668 1.00 0.00 C ATOM 1869 O GLU B 93 2.923 2.297 -15.920 1.00 0.00 O ATOM 1870 CB GLU B 93 4.418 -0.562 -16.997 1.00 0.00 C ATOM 1871 CG GLU B 93 4.822 -0.007 -18.354 1.00 0.00 C ATOM 1872 CD GLU B 93 4.990 -1.090 -19.400 1.00 0.00 C ATOM 1873 OE1 GLU B 93 4.330 -2.144 -19.275 1.00 0.00 O ATOM 1874 OE2 GLU B 93 5.781 -0.887 -20.344 1.00 0.00 O ATOM 0 H GLU B 93 5.145 -1.152 -14.718 1.00 0.00 H new ATOM 0 HA GLU B 93 5.188 1.255 -16.144 1.00 0.00 H new ATOM 0 HB2 GLU B 93 5.069 -1.400 -16.748 1.00 0.00 H new ATOM 0 HB3 GLU B 93 3.403 -0.955 -17.062 1.00 0.00 H new ATOM 0 HG2 GLU B 93 4.068 0.704 -18.691 1.00 0.00 H new ATOM 0 HG3 GLU B 93 5.757 0.544 -18.253 1.00 0.00 H new ATOM 1881 N GLU B 94 2.153 0.305 -15.213 1.00 0.00 N ATOM 1882 CA GLU B 94 0.797 0.789 -14.976 1.00 0.00 C ATOM 1883 C GLU B 94 0.683 1.435 -13.599 1.00 0.00 C ATOM 1884 O GLU B 94 0.406 2.628 -13.482 1.00 0.00 O ATOM 1885 CB GLU B 94 -0.206 -0.358 -15.100 1.00 0.00 C ATOM 1886 CG GLU B 94 -0.240 -0.990 -16.481 1.00 0.00 C ATOM 1887 CD GLU B 94 -1.414 -0.513 -17.312 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -1.580 0.717 -17.454 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -2.168 -1.369 -17.822 1.00 0.00 O ATOM 0 H GLU B 94 2.291 -0.683 -15.001 1.00 0.00 H new ATOM 0 HA GLU B 94 0.570 1.542 -15.730 1.00 0.00 H new ATOM 0 HB2 GLU B 94 0.039 -1.125 -14.365 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -1.201 0.013 -14.855 1.00 0.00 H new ATOM 0 HG2 GLU B 94 0.688 -0.760 -17.005 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -0.288 -2.074 -16.379 1.00 0.00 H new ATOM 1896 N PHE B 95 0.898 0.636 -12.558 1.00 0.00 N ATOM 1897 CA PHE B 95 0.819 1.129 -11.188 1.00 0.00 C ATOM 1898 C PHE B 95 2.023 2.007 -10.857 1.00 0.00 C ATOM 1899 O PHE B 95 3.162 1.661 -11.173 1.00 0.00 O ATOM 1900 CB PHE B 95 0.739 -0.044 -10.207 1.00 0.00 C ATOM 1901 CG PHE B 95 -0.379 0.080 -9.212 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.462 1.183 -8.378 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -1.347 -0.906 -9.112 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.488 1.300 -7.460 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.376 -0.795 -8.196 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.447 0.309 -7.369 1.00 0.00 C ATOM 0 H PHE B 95 1.128 -0.355 -12.637 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.084 1.733 -11.094 1.00 0.00 H new ATOM 0 HB2 PHE B 95 0.613 -0.969 -10.769 1.00 0.00 H new ATOM 0 HB3 PHE B 95 1.685 -0.123 -9.671 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.284 1.961 -8.446 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -1.297 -1.771 -9.757 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.540 2.164 -6.815 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.124 -1.571 -8.127 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.250 0.398 -6.653 1.00 0.00 H new ATOM 1916 N GLU B 96 1.763 3.144 -10.219 1.00 0.00 N ATOM 1917 CA GLU B 96 2.826 4.072 -9.847 1.00 0.00 C ATOM 1918 C GLU B 96 2.889 4.251 -8.333 1.00 0.00 C ATOM 1919 O GLU B 96 1.859 4.302 -7.661 1.00 0.00 O ATOM 1920 CB GLU B 96 2.608 5.427 -10.523 1.00 0.00 C ATOM 1921 CG GLU B 96 3.882 6.240 -10.681 1.00 0.00 C ATOM 1922 CD GLU B 96 3.863 7.121 -11.914 1.00 0.00 C ATOM 1923 OE1 GLU B 96 2.758 7.513 -12.345 1.00 0.00 O ATOM 1924 OE2 GLU B 96 4.951 7.418 -12.449 1.00 0.00 O ATOM 0 H GLU B 96 0.827 3.445 -9.949 1.00 0.00 H new ATOM 0 HA GLU B 96 3.774 3.653 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU B 96 2.165 5.266 -11.506 1.00 0.00 H new ATOM 0 HB3 GLU B 96 1.889 6.003 -9.940 1.00 0.00 H new ATOM 0 HG2 GLU B 96 4.024 6.862 -9.797 1.00 0.00 H new ATOM 0 HG3 GLU B 96 4.735 5.564 -10.735 1.00 0.00 H new ATOM 1931 N ASP B 97 4.104 4.346 -7.805 1.00 0.00 N ATOM 1932 CA ASP B 97 4.304 4.520 -6.370 1.00 0.00 C ATOM 1933 C ASP B 97 4.488 5.993 -6.019 1.00 0.00 C ATOM 1934 O ASP B 97 4.787 6.815 -6.886 1.00 0.00 O ATOM 1935 CB ASP B 97 5.517 3.716 -5.901 1.00 0.00 C ATOM 1936 CG ASP B 97 6.750 3.989 -6.742 1.00 0.00 C ATOM 1937 OD1 ASP B 97 7.242 5.137 -6.719 1.00 0.00 O ATOM 1938 OD2 ASP B 97 7.224 3.054 -7.421 1.00 0.00 O ATOM 0 H ASP B 97 4.966 4.306 -8.349 1.00 0.00 H new ATOM 0 HA ASP B 97 3.414 4.153 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP B 97 5.730 3.958 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP B 97 5.282 2.652 -5.940 1.00 0.00 H new ATOM 1943 N VAL B 98 4.310 6.320 -4.743 1.00 0.00 N ATOM 1944 CA VAL B 98 4.457 7.693 -4.277 1.00 0.00 C ATOM 1945 C VAL B 98 5.445 7.778 -3.119 1.00 0.00 C ATOM 1946 O VAL B 98 5.148 7.347 -2.004 1.00 0.00 O ATOM 1947 CB VAL B 98 3.106 8.286 -3.832 1.00 0.00 C ATOM 1948 CG1 VAL B 98 2.147 8.374 -5.010 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.505 7.462 -2.703 1.00 0.00 C ATOM 0 H VAL B 98 4.063 5.652 -4.013 1.00 0.00 H new ATOM 0 HA VAL B 98 4.837 8.272 -5.118 1.00 0.00 H new ATOM 0 HB VAL B 98 3.279 9.296 -3.459 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.199 8.795 -4.676 1.00 0.00 H new ATOM 0 HG12 VAL B 98 2.576 9.013 -5.782 1.00 0.00 H new ATOM 0 HG13 VAL B 98 1.978 7.377 -5.417 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.552 7.897 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL B 98 2.346 6.439 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL B 98 3.186 7.459 -1.852 1.00 0.00 H new ATOM 1959 N THR B 99 6.620 8.336 -3.389 1.00 0.00 N ATOM 1960 CA THR B 99 7.652 8.478 -2.368 1.00 0.00 C ATOM 1961 C THR B 99 8.472 9.743 -2.596 1.00 0.00 C ATOM 1962 O THR B 99 8.184 10.527 -3.501 1.00 0.00 O ATOM 1963 CB THR B 99 8.570 7.254 -2.368 1.00 0.00 C ATOM 1964 OG1 THR B 99 8.592 6.643 -3.646 1.00 0.00 O ATOM 1965 CG2 THR B 99 8.160 6.199 -1.363 1.00 0.00 C ATOM 0 H THR B 99 6.882 8.697 -4.306 1.00 0.00 H new ATOM 0 HA THR B 99 7.161 8.555 -1.398 1.00 0.00 H new ATOM 0 HB THR B 99 9.555 7.632 -2.094 1.00 0.00 H new ATOM 0 HG1 THR B 99 9.186 5.864 -3.626 1.00 0.00 H new ATOM 0 HG21 THR B 99 8.852 5.359 -1.415 1.00 0.00 H new ATOM 0 HG22 THR B 99 8.181 6.625 -0.360 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.152 5.853 -1.590 1.00 0.00 H new ATOM 1973 N ASP B 100 9.494 9.937 -1.769 1.00 0.00 N ATOM 1974 CA ASP B 100 10.357 11.108 -1.880 1.00 0.00 C ATOM 1975 C ASP B 100 11.787 10.701 -2.220 1.00 0.00 C ATOM 1976 O ASP B 100 12.643 10.613 -1.341 1.00 0.00 O ATOM 1977 CB ASP B 100 10.338 11.906 -0.575 1.00 0.00 C ATOM 1978 CG ASP B 100 9.194 12.900 -0.521 1.00 0.00 C ATOM 1979 OD1 ASP B 100 9.382 14.047 -0.977 1.00 0.00 O ATOM 1980 OD2 ASP B 100 8.110 12.529 -0.022 1.00 0.00 O ATOM 0 H ASP B 100 9.745 9.298 -1.014 1.00 0.00 H new ATOM 0 HA ASP B 100 9.976 11.734 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP B 100 10.258 11.218 0.267 1.00 0.00 H new ATOM 0 HB3 ASP B 100 11.283 12.438 -0.464 1.00 0.00 H new ATOM 1985 N GLY B 101 12.037 10.454 -3.502 1.00 0.00 N ATOM 1986 CA GLY B 101 13.364 10.058 -3.935 1.00 0.00 C ATOM 1987 C GLY B 101 13.788 10.754 -5.213 1.00 0.00 C ATOM 1988 O GLY B 101 14.412 11.815 -5.173 1.00 0.00 O ATOM 0 H GLY B 101 11.345 10.521 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY B 101 14.082 10.283 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY B 101 13.386 8.979 -4.088 1.00 0.00 H new ATOM 1992 N ASN B 102 13.449 10.157 -6.351 1.00 0.00 N ATOM 1993 CA ASN B 102 13.799 10.726 -7.648 1.00 0.00 C ATOM 1994 C ASN B 102 15.312 10.843 -7.801 1.00 0.00 C ATOM 1995 O ASN B 102 16.060 10.617 -6.850 1.00 0.00 O ATOM 1996 CB ASN B 102 13.148 12.101 -7.817 1.00 0.00 C ATOM 1997 CG ASN B 102 12.781 12.393 -9.258 1.00 0.00 C ATOM 1998 OD1 ASN B 102 11.789 11.876 -9.775 1.00 0.00 O ATOM 1999 ND2 ASN B 102 13.579 13.225 -9.916 1.00 0.00 N ATOM 0 H ASN B 102 12.932 9.279 -6.402 1.00 0.00 H new ATOM 0 HA ASN B 102 13.425 10.057 -8.423 1.00 0.00 H new ATOM 0 HB2 ASN B 102 12.252 12.154 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN B 102 13.831 12.870 -7.456 1.00 0.00 H new ATOM 0 HD21 ASN B 102 13.381 13.459 -10.889 1.00 0.00 H new ATOM 0 HD22 ASN B 102 14.390 13.630 -9.449 1.00 0.00 H new ATOM 2006 N GLU B 103 15.754 11.199 -9.002 1.00 0.00 N ATOM 2007 CA GLU B 103 17.178 11.347 -9.279 1.00 0.00 C ATOM 2008 C GLU B 103 17.403 12.050 -10.613 1.00 0.00 C ATOM 2009 O GLU B 103 16.628 11.880 -11.554 1.00 0.00 O ATOM 2010 CB GLU B 103 17.862 9.979 -9.288 1.00 0.00 C ATOM 2011 CG GLU B 103 19.294 10.010 -8.780 1.00 0.00 C ATOM 2012 CD GLU B 103 20.147 8.907 -9.372 1.00 0.00 C ATOM 2013 OE1 GLU B 103 19.620 7.791 -9.572 1.00 0.00 O ATOM 2014 OE2 GLU B 103 21.342 9.156 -9.636 1.00 0.00 O ATOM 0 H GLU B 103 15.147 11.390 -9.799 1.00 0.00 H new ATOM 0 HA GLU B 103 17.614 11.958 -8.489 1.00 0.00 H new ATOM 0 HB2 GLU B 103 17.283 9.289 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU B 103 17.855 9.585 -10.304 1.00 0.00 H new ATOM 0 HG2 GLU B 103 19.739 10.976 -9.018 1.00 0.00 H new ATOM 0 HG3 GLU B 103 19.292 9.919 -7.694 1.00 0.00 H new ATOM 2021 N VAL B 104 18.469 12.840 -10.688 1.00 0.00 N ATOM 2022 CA VAL B 104 18.796 13.569 -11.907 1.00 0.00 C ATOM 2023 C VAL B 104 19.695 12.739 -12.819 1.00 0.00 C ATOM 2024 O VAL B 104 20.527 11.973 -12.290 1.00 0.00 O ATOM 2025 CB VAL B 104 19.497 14.903 -11.594 1.00 0.00 C ATOM 2026 CG1 VAL B 104 18.518 15.891 -10.979 1.00 0.00 C ATOM 2027 CG2 VAL B 104 20.688 14.678 -10.673 1.00 0.00 C ATOM 0 H VAL B 104 19.121 12.991 -9.918 1.00 0.00 H new ATOM 0 HA VAL B 104 17.853 13.773 -12.415 1.00 0.00 H new ATOM 0 HB VAL B 104 19.864 15.326 -12.529 1.00 0.00 H new ATOM 0 HG11 VAL B 104 19.033 16.828 -10.765 1.00 0.00 H new ATOM 0 HG12 VAL B 104 17.702 16.077 -11.677 1.00 0.00 H new ATOM 0 HG13 VAL B 104 18.117 15.478 -10.054 1.00 0.00 H new ATOM 0 HG21 VAL B 104 21.171 15.632 -10.463 1.00 0.00 H new ATOM 0 HG22 VAL B 104 20.347 14.231 -9.739 1.00 0.00 H new ATOM 0 HG23 VAL B 104 21.400 14.009 -11.156 1.00 0.00 H new TER 2037 VAL B 104