USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 739 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 79 THR OG1 : rot -174:sc= -0.117 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -5.95! C(o=-6.1!,f=-7.2!) USER MOD Set 2.1: A 68 CYS SG : rot -174:sc= 0.959! USER MOD Set 2.2: A 74 THR OG1 : rot -149:sc= 0.602 USER MOD Set 3.1: A 38 SER OG : rot 31:sc= -0.76! USER MOD Set 3.2: A 40 CYS SG : rot -46:sc= 2.75 USER MOD Set 3.3: A 42 SER OG : rot 75:sc= -0.271! USER MOD Set 4.1: A 23 GLN :FLIP amide:sc= -3.69! C(o=-5.7!,f=-4.1!) USER MOD Set 4.2: A 37 HIS : no HD1:sc= -0.405 K(o=-4.1,f=-14!) USER MOD Set 5.1: A 8 HIS : no HD1:sc= -12.7! C(o=-15!,f=-25!) USER MOD Set 5.2: A 57 MET CE :methyl 169:sc= -2.37 (180deg=-2.88!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 94:sc= 0.0186 USER MOD Single : A 12 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0802) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.274 (180deg=-1.82!) USER MOD Single : A 26 ASN : amide:sc= -0.566 K(o=-0.57,f=-1.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.3 (180deg=-1.93!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 56 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.5!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.0223 X(o=-0.022,f=-0.38) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 87 LYS NZ :NH3+ 178:sc= -0.0304 (180deg=-0.0362) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN :FLIP amide:sc= -3.96! C(o=-5!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -18.019 -1.399 -4.236 1.00 0.00 N ATOM 2 CA ALA A 1 -17.414 -2.166 -3.108 1.00 0.00 C ATOM 3 C ALA A 1 -17.440 -1.327 -1.828 1.00 0.00 C ATOM 4 O ALA A 1 -16.683 -0.388 -1.675 1.00 0.00 O ATOM 5 CB ALA A 1 -15.975 -2.440 -3.543 1.00 0.00 C ATOM 0 H1 ALA A 1 -17.997 -1.977 -5.100 1.00 0.00 H new ATOM 0 H2 ALA A 1 -19.004 -1.160 -4.004 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.478 -0.524 -4.391 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.956 -3.087 -2.895 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.460 -3.003 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.978 -3.019 -4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.459 -1.494 -3.709 1.00 0.00 H new ATOM 13 N LYS A 2 -18.334 -1.628 -0.928 1.00 0.00 N ATOM 14 CA LYS A 2 -18.438 -0.812 0.316 1.00 0.00 C ATOM 15 C LYS A 2 -17.119 -0.855 1.092 1.00 0.00 C ATOM 16 O LYS A 2 -16.681 0.135 1.640 1.00 0.00 O ATOM 17 CB LYS A 2 -19.563 -1.457 1.126 1.00 0.00 C ATOM 18 CG LYS A 2 -19.877 -0.586 2.344 1.00 0.00 C ATOM 19 CD LYS A 2 -21.078 -1.168 3.093 1.00 0.00 C ATOM 20 CE LYS A 2 -20.617 -2.324 3.981 1.00 0.00 C ATOM 21 NZ LYS A 2 -20.417 -1.712 5.325 1.00 0.00 N ATOM 0 H LYS A 2 -18.996 -2.401 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 2 -18.644 0.237 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -20.453 -1.570 0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.268 -2.456 1.446 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.011 -0.540 3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.092 0.435 2.028 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.550 -0.396 3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.828 -1.518 2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.362 -3.119 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.694 -2.767 3.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.099 -2.441 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -19.698 -0.963 5.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.314 -1.304 5.657 1.00 0.00 H new ATOM 35 N THR A 3 -16.489 -1.996 1.149 1.00 0.00 N ATOM 36 CA THR A 3 -15.202 -2.102 1.900 1.00 0.00 C ATOM 37 C THR A 3 -14.215 -3.007 1.153 1.00 0.00 C ATOM 38 O THR A 3 -14.603 -3.925 0.458 1.00 0.00 O ATOM 39 CB THR A 3 -15.581 -2.719 3.246 1.00 0.00 C ATOM 40 OG1 THR A 3 -16.369 -3.881 3.027 1.00 0.00 O ATOM 41 CG2 THR A 3 -16.380 -1.707 4.068 1.00 0.00 C ATOM 0 H THR A 3 -16.808 -2.859 0.709 1.00 0.00 H new ATOM 0 HA THR A 3 -14.714 -1.134 2.015 1.00 0.00 H new ATOM 0 HB THR A 3 -14.675 -2.990 3.789 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.791 -4.672 3.022 1.00 0.00 H new ATOM 0 HG21 THR A 3 -16.649 -2.149 5.027 1.00 0.00 H new ATOM 0 HG22 THR A 3 -15.775 -0.816 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.286 -1.434 3.527 1.00 0.00 H new ATOM 49 N ALA A 4 -12.939 -2.769 1.310 1.00 0.00 N ATOM 50 CA ALA A 4 -11.926 -3.629 0.633 1.00 0.00 C ATOM 51 C ALA A 4 -10.837 -4.046 1.627 1.00 0.00 C ATOM 52 O ALA A 4 -10.559 -3.348 2.582 1.00 0.00 O ATOM 53 CB ALA A 4 -11.332 -2.743 -0.462 1.00 0.00 C ATOM 0 H ALA A 4 -12.555 -2.015 1.879 1.00 0.00 H new ATOM 0 HA ALA A 4 -12.361 -4.545 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -10.574 -3.302 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -12.121 -2.433 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.877 -1.862 -0.010 1.00 0.00 H new ATOM 59 N ALA A 5 -10.158 -5.131 1.362 1.00 0.00 N ATOM 60 CA ALA A 5 -9.017 -5.530 2.238 1.00 0.00 C ATOM 61 C ALA A 5 -7.721 -4.941 1.679 1.00 0.00 C ATOM 62 O ALA A 5 -7.480 -4.992 0.491 1.00 0.00 O ATOM 63 CB ALA A 5 -8.981 -7.058 2.172 1.00 0.00 C ATOM 0 H ALA A 5 -10.344 -5.757 0.578 1.00 0.00 H new ATOM 0 HA ALA A 5 -9.127 -5.174 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.166 -7.430 2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.926 -7.460 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.825 -7.374 1.141 1.00 0.00 H new ATOM 69 N ALA A 6 -6.992 -4.211 2.478 1.00 0.00 N ATOM 70 CA ALA A 6 -5.853 -3.437 1.905 1.00 0.00 C ATOM 71 C ALA A 6 -4.600 -3.522 2.782 1.00 0.00 C ATOM 72 O ALA A 6 -4.601 -3.112 3.927 1.00 0.00 O ATOM 73 CB ALA A 6 -6.357 -1.998 1.847 1.00 0.00 C ATOM 0 H ALA A 6 -7.131 -4.117 3.484 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.560 -3.828 0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.578 -1.356 1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.242 -1.948 1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.612 -1.661 2.852 1.00 0.00 H new ATOM 79 N LEU A 7 -3.487 -3.839 2.176 1.00 0.00 N ATOM 80 CA LEU A 7 -2.177 -3.704 2.878 1.00 0.00 C ATOM 81 C LEU A 7 -1.462 -2.450 2.363 1.00 0.00 C ATOM 82 O LEU A 7 -1.546 -2.127 1.196 1.00 0.00 O ATOM 83 CB LEU A 7 -1.397 -4.960 2.490 1.00 0.00 C ATOM 84 CG LEU A 7 -2.188 -6.202 2.903 1.00 0.00 C ATOM 85 CD1 LEU A 7 -1.424 -7.458 2.478 1.00 0.00 C ATOM 86 CD2 LEU A 7 -2.377 -6.208 4.420 1.00 0.00 C ATOM 0 H LEU A 7 -3.429 -4.188 1.219 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.278 -3.608 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.218 -4.971 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.421 -4.959 2.976 1.00 0.00 H new ATOM 0 HG LEU A 7 -3.164 -6.188 2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.987 -8.344 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.292 -7.455 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.448 -7.471 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.941 -7.094 4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.402 -6.220 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.923 -5.314 4.722 1.00 0.00 H new ATOM 98 N HIS A 8 -0.806 -1.706 3.216 1.00 0.00 N ATOM 99 CA HIS A 8 -0.163 -0.443 2.734 1.00 0.00 C ATOM 100 C HIS A 8 1.265 -0.301 3.266 1.00 0.00 C ATOM 101 O HIS A 8 1.539 -0.577 4.417 1.00 0.00 O ATOM 102 CB HIS A 8 -1.036 0.698 3.270 1.00 0.00 C ATOM 103 CG HIS A 8 -2.420 0.598 2.691 1.00 0.00 C ATOM 104 ND1 HIS A 8 -3.544 0.999 3.395 1.00 0.00 N ATOM 105 CD2 HIS A 8 -2.876 0.154 1.477 1.00 0.00 C ATOM 106 CE1 HIS A 8 -4.612 0.790 2.605 1.00 0.00 C ATOM 107 NE2 HIS A 8 -4.262 0.275 1.423 1.00 0.00 N ATOM 0 H HIS A 8 -0.688 -1.911 4.208 1.00 0.00 H new ATOM 0 HA HIS A 8 -0.093 -0.436 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.083 0.651 4.358 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.593 1.659 3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.254 -0.231 0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.629 1.012 2.891 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.877 0.025 0.649 1.00 0.00 H new ATOM 115 N ILE A 9 2.116 0.326 2.497 1.00 0.00 N ATOM 116 CA ILE A 9 3.455 0.717 3.029 1.00 0.00 C ATOM 117 C ILE A 9 3.792 2.144 2.591 1.00 0.00 C ATOM 118 O ILE A 9 3.724 2.479 1.424 1.00 0.00 O ATOM 119 CB ILE A 9 4.457 -0.261 2.417 1.00 0.00 C ATOM 120 CG1 ILE A 9 4.147 -1.686 2.873 1.00 0.00 C ATOM 121 CG2 ILE A 9 5.871 0.121 2.864 1.00 0.00 C ATOM 122 CD1 ILE A 9 4.992 -2.673 2.064 1.00 0.00 C ATOM 0 H ILE A 9 1.942 0.584 1.526 1.00 0.00 H new ATOM 0 HA ILE A 9 3.477 0.685 4.118 1.00 0.00 H new ATOM 0 HB ILE A 9 4.386 -0.214 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.360 -1.794 3.936 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.087 -1.901 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.590 -0.574 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.097 1.133 2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.934 0.076 3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.773 -3.690 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.757 -2.570 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 9 6.050 -2.462 2.223 1.00 0.00 H new ATOM 134 N LEU A 10 4.207 2.969 3.511 1.00 0.00 N ATOM 135 CA LEU A 10 4.614 4.355 3.150 1.00 0.00 C ATOM 136 C LEU A 10 6.139 4.433 3.044 1.00 0.00 C ATOM 137 O LEU A 10 6.851 4.148 3.986 1.00 0.00 O ATOM 138 CB LEU A 10 4.115 5.226 4.307 1.00 0.00 C ATOM 139 CG LEU A 10 3.998 6.688 3.854 1.00 0.00 C ATOM 140 CD1 LEU A 10 3.900 7.590 5.087 1.00 0.00 C ATOM 141 CD2 LEU A 10 5.227 7.084 3.032 1.00 0.00 C ATOM 0 H LEU A 10 4.282 2.741 4.502 1.00 0.00 H new ATOM 0 HA LEU A 10 4.204 4.676 2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.146 4.865 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.802 5.152 5.150 1.00 0.00 H new ATOM 0 HG LEU A 10 3.106 6.802 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.817 8.630 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.020 7.316 5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.793 7.467 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.134 8.123 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.124 6.969 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.299 6.442 2.154 1.00 0.00 H new ATOM 153 N VAL A 11 6.645 4.858 1.919 1.00 0.00 N ATOM 154 CA VAL A 11 8.124 5.000 1.775 1.00 0.00 C ATOM 155 C VAL A 11 8.491 6.470 1.562 1.00 0.00 C ATOM 156 O VAL A 11 7.921 7.150 0.731 1.00 0.00 O ATOM 157 CB VAL A 11 8.505 4.176 0.540 1.00 0.00 C ATOM 158 CG1 VAL A 11 9.998 3.849 0.592 1.00 0.00 C ATOM 159 CG2 VAL A 11 7.702 2.871 0.512 1.00 0.00 C ATOM 0 H VAL A 11 6.101 5.113 1.095 1.00 0.00 H new ATOM 0 HA VAL A 11 8.651 4.656 2.665 1.00 0.00 H new ATOM 0 HB VAL A 11 8.282 4.753 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.273 3.263 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.573 4.775 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.214 3.276 1.494 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.979 2.292 -0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.918 2.292 1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.637 3.100 0.475 1.00 0.00 H new ATOM 169 N LYS A 12 9.426 6.969 2.320 1.00 0.00 N ATOM 170 CA LYS A 12 9.821 8.400 2.179 1.00 0.00 C ATOM 171 C LYS A 12 10.542 8.631 0.848 1.00 0.00 C ATOM 172 O LYS A 12 10.378 9.653 0.212 1.00 0.00 O ATOM 173 CB LYS A 12 10.765 8.667 3.352 1.00 0.00 C ATOM 174 CG LYS A 12 10.018 8.446 4.669 1.00 0.00 C ATOM 175 CD LYS A 12 8.985 9.559 4.863 1.00 0.00 C ATOM 176 CE LYS A 12 8.228 9.331 6.173 1.00 0.00 C ATOM 177 NZ LYS A 12 9.124 9.873 7.233 1.00 0.00 N ATOM 0 H LYS A 12 9.936 6.447 3.033 1.00 0.00 H new ATOM 0 HA LYS A 12 8.958 9.065 2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.629 8.004 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.143 9.688 3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.524 7.474 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.721 8.439 5.502 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.480 10.530 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.288 9.572 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.266 9.844 6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.023 8.272 6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.180 9.196 8.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.075 10.026 6.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.744 10.777 7.580 1.00 0.00 H new ATOM 191 N GLU A 13 11.385 7.717 0.449 1.00 0.00 N ATOM 192 CA GLU A 13 12.164 7.920 -0.807 1.00 0.00 C ATOM 193 C GLU A 13 11.769 6.884 -1.860 1.00 0.00 C ATOM 194 O GLU A 13 11.617 5.714 -1.572 1.00 0.00 O ATOM 195 CB GLU A 13 13.626 7.737 -0.406 1.00 0.00 C ATOM 196 CG GLU A 13 14.067 8.913 0.464 1.00 0.00 C ATOM 197 CD GLU A 13 15.448 8.620 1.055 1.00 0.00 C ATOM 198 OE1 GLU A 13 15.987 7.567 0.757 1.00 0.00 O ATOM 199 OE2 GLU A 13 15.947 9.458 1.788 1.00 0.00 O ATOM 0 H GLU A 13 11.568 6.840 0.937 1.00 0.00 H new ATOM 0 HA GLU A 13 11.978 8.901 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 13 13.750 6.801 0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.253 7.674 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.100 9.826 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.345 9.079 1.264 1.00 0.00 H new ATOM 206 N GLU A 14 11.659 7.301 -3.090 1.00 0.00 N ATOM 207 CA GLU A 14 11.341 6.336 -4.180 1.00 0.00 C ATOM 208 C GLU A 14 12.427 5.258 -4.260 1.00 0.00 C ATOM 209 O GLU A 14 12.143 4.087 -4.407 1.00 0.00 O ATOM 210 CB GLU A 14 11.325 7.180 -5.454 1.00 0.00 C ATOM 211 CG GLU A 14 10.972 6.293 -6.648 1.00 0.00 C ATOM 212 CD GLU A 14 10.957 7.136 -7.925 1.00 0.00 C ATOM 213 OE1 GLU A 14 11.027 8.349 -7.810 1.00 0.00 O ATOM 214 OE2 GLU A 14 10.878 6.554 -8.994 1.00 0.00 O ATOM 0 H GLU A 14 11.776 8.269 -3.388 1.00 0.00 H new ATOM 0 HA GLU A 14 10.394 5.820 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.598 7.987 -5.359 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.299 7.644 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.698 5.485 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.998 5.829 -6.494 1.00 0.00 H new ATOM 221 N LYS A 15 13.670 5.647 -4.148 1.00 0.00 N ATOM 222 CA LYS A 15 14.776 4.645 -4.201 1.00 0.00 C ATOM 223 C LYS A 15 14.574 3.578 -3.124 1.00 0.00 C ATOM 224 O LYS A 15 14.741 2.399 -3.366 1.00 0.00 O ATOM 225 CB LYS A 15 16.049 5.453 -3.929 1.00 0.00 C ATOM 226 CG LYS A 15 17.270 4.530 -3.975 1.00 0.00 C ATOM 227 CD LYS A 15 18.534 5.352 -3.700 1.00 0.00 C ATOM 228 CE LYS A 15 19.770 4.467 -3.869 1.00 0.00 C ATOM 229 NZ LYS A 15 20.873 5.413 -4.198 1.00 0.00 N ATOM 0 H LYS A 15 13.967 6.615 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 15 14.820 4.123 -5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.153 6.245 -4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.983 5.935 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.169 3.737 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.340 4.048 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.585 6.199 -4.384 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.502 5.760 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.985 3.910 -2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.627 3.735 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.758 4.882 -4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.642 5.924 -5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 20.990 6.094 -3.421 1.00 0.00 H new ATOM 243 N LEU A 16 14.200 3.976 -1.937 1.00 0.00 N ATOM 244 CA LEU A 16 13.972 2.974 -0.858 1.00 0.00 C ATOM 245 C LEU A 16 12.742 2.123 -1.189 1.00 0.00 C ATOM 246 O LEU A 16 12.777 0.911 -1.111 1.00 0.00 O ATOM 247 CB LEU A 16 13.738 3.795 0.410 1.00 0.00 C ATOM 248 CG LEU A 16 13.738 2.866 1.627 1.00 0.00 C ATOM 249 CD1 LEU A 16 14.405 3.575 2.808 1.00 0.00 C ATOM 250 CD2 LEU A 16 12.299 2.505 1.996 1.00 0.00 C ATOM 0 H LEU A 16 14.043 4.948 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 16 14.812 2.290 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 16 14.517 4.550 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.787 4.324 0.343 1.00 0.00 H new ATOM 0 HG LEU A 16 14.289 1.956 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 14.406 2.915 3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 15.432 3.831 2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.853 4.485 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 12.301 1.844 2.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.746 3.413 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 16 11.823 2.000 1.155 1.00 0.00 H new ATOM 262 N ALA A 17 11.694 2.739 -1.667 1.00 0.00 N ATOM 263 CA ALA A 17 10.517 1.950 -2.128 1.00 0.00 C ATOM 264 C ALA A 17 10.938 1.007 -3.258 1.00 0.00 C ATOM 265 O ALA A 17 10.678 -0.179 -3.226 1.00 0.00 O ATOM 266 CB ALA A 17 9.515 2.986 -2.637 1.00 0.00 C ATOM 0 H ALA A 17 11.603 3.751 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 17 10.091 1.335 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.618 2.480 -2.995 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.250 3.665 -1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.961 3.553 -3.454 1.00 0.00 H new ATOM 272 N LEU A 18 11.671 1.514 -4.210 1.00 0.00 N ATOM 273 CA LEU A 18 12.210 0.637 -5.288 1.00 0.00 C ATOM 274 C LEU A 18 13.106 -0.443 -4.683 1.00 0.00 C ATOM 275 O LEU A 18 13.008 -1.605 -5.023 1.00 0.00 O ATOM 276 CB LEU A 18 13.016 1.579 -6.180 1.00 0.00 C ATOM 277 CG LEU A 18 12.058 2.508 -6.927 1.00 0.00 C ATOM 278 CD1 LEU A 18 12.831 3.288 -7.988 1.00 0.00 C ATOM 279 CD2 LEU A 18 10.965 1.677 -7.603 1.00 0.00 C ATOM 0 H LEU A 18 11.921 2.500 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 18 11.428 0.119 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 18 13.712 2.163 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.612 1.005 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 18 11.603 3.204 -6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.149 3.951 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.611 3.879 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.285 2.591 -8.693 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.282 2.339 -8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 18 11.420 0.982 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.413 1.118 -6.847 1.00 0.00 H new ATOM 291 N ASP A 19 13.893 -0.090 -3.707 1.00 0.00 N ATOM 292 CA ASP A 19 14.691 -1.124 -2.992 1.00 0.00 C ATOM 293 C ASP A 19 13.746 -2.145 -2.363 1.00 0.00 C ATOM 294 O ASP A 19 13.933 -3.339 -2.482 1.00 0.00 O ATOM 295 CB ASP A 19 15.437 -0.360 -1.903 1.00 0.00 C ATOM 296 CG ASP A 19 16.303 -1.332 -1.099 1.00 0.00 C ATOM 297 OD1 ASP A 19 16.025 -2.519 -1.144 1.00 0.00 O ATOM 298 OD2 ASP A 19 17.232 -0.873 -0.454 1.00 0.00 O ATOM 0 H ASP A 19 14.018 0.866 -3.374 1.00 0.00 H new ATOM 0 HA ASP A 19 15.371 -1.662 -3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 19 16.060 0.415 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.728 0.141 -1.245 1.00 0.00 H new ATOM 303 N LEU A 20 12.661 -1.678 -1.810 1.00 0.00 N ATOM 304 CA LEU A 20 11.615 -2.601 -1.306 1.00 0.00 C ATOM 305 C LEU A 20 11.039 -3.398 -2.474 1.00 0.00 C ATOM 306 O LEU A 20 10.781 -4.580 -2.369 1.00 0.00 O ATOM 307 CB LEU A 20 10.579 -1.663 -0.673 1.00 0.00 C ATOM 308 CG LEU A 20 9.168 -2.265 -0.735 1.00 0.00 C ATOM 309 CD1 LEU A 20 9.024 -3.347 0.337 1.00 0.00 C ATOM 310 CD2 LEU A 20 8.142 -1.161 -0.486 1.00 0.00 C ATOM 0 H LEU A 20 12.456 -0.687 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 20 11.975 -3.339 -0.589 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.848 -1.468 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.590 -0.704 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 20 9.002 -2.708 -1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.022 -3.773 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.760 -4.132 0.163 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.187 -2.908 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.137 -1.582 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.311 -0.723 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.245 -0.390 -1.249 1.00 0.00 H new ATOM 322 N LEU A 21 10.848 -2.756 -3.592 1.00 0.00 N ATOM 323 CA LEU A 21 10.304 -3.480 -4.773 1.00 0.00 C ATOM 324 C LEU A 21 11.238 -4.628 -5.142 1.00 0.00 C ATOM 325 O LEU A 21 10.814 -5.747 -5.352 1.00 0.00 O ATOM 326 CB LEU A 21 10.253 -2.438 -5.889 1.00 0.00 C ATOM 327 CG LEU A 21 8.808 -1.973 -6.089 1.00 0.00 C ATOM 328 CD1 LEU A 21 8.210 -1.538 -4.749 1.00 0.00 C ATOM 329 CD2 LEU A 21 8.783 -0.794 -7.064 1.00 0.00 C ATOM 0 H LEU A 21 11.044 -1.766 -3.739 1.00 0.00 H new ATOM 0 HA LEU A 21 9.321 -3.913 -4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 21 10.888 -1.589 -5.637 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.641 -2.862 -6.815 1.00 0.00 H new ATOM 0 HG LEU A 21 8.220 -2.796 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.182 -1.208 -4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.224 -2.378 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.798 -0.717 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.755 -0.462 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.376 0.026 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.201 -1.105 -8.022 1.00 0.00 H new ATOM 341 N GLU A 22 12.516 -4.380 -5.120 1.00 0.00 N ATOM 342 CA GLU A 22 13.491 -5.482 -5.358 1.00 0.00 C ATOM 343 C GLU A 22 13.318 -6.571 -4.294 1.00 0.00 C ATOM 344 O GLU A 22 13.435 -7.748 -4.570 1.00 0.00 O ATOM 345 CB GLU A 22 14.867 -4.829 -5.230 1.00 0.00 C ATOM 346 CG GLU A 22 15.952 -5.870 -5.513 1.00 0.00 C ATOM 347 CD GLU A 22 17.332 -5.228 -5.355 1.00 0.00 C ATOM 348 OE1 GLU A 22 17.384 -4.049 -5.046 1.00 0.00 O ATOM 349 OE2 GLU A 22 18.314 -5.928 -5.545 1.00 0.00 O ATOM 0 H GLU A 22 12.929 -3.463 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 22 13.353 -5.955 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.954 -3.998 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.995 -4.417 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.851 -6.712 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 22 15.837 -6.265 -6.522 1.00 0.00 H new ATOM 356 N GLN A 23 13.094 -6.177 -3.068 1.00 0.00 N ATOM 357 CA GLN A 23 12.975 -7.177 -1.965 1.00 0.00 C ATOM 358 C GLN A 23 11.793 -8.116 -2.208 1.00 0.00 C ATOM 359 O GLN A 23 11.867 -9.302 -1.953 1.00 0.00 O ATOM 360 CB GLN A 23 12.736 -6.344 -0.707 1.00 0.00 C ATOM 361 CG GLN A 23 14.013 -5.583 -0.348 1.00 0.00 C ATOM 362 CD GLN A 23 13.777 -4.746 0.914 1.00 0.00 C ATOM 363 OE1 GLN A 23 12.557 -4.448 1.272 1.00 0.00 O flip ATOM 364 NE2 GLN A 23 14.716 -4.357 1.580 1.00 0.00 N flip ATOM 0 H GLN A 23 12.988 -5.204 -2.782 1.00 0.00 H new ATOM 0 HA GLN A 23 13.863 -7.805 -1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.917 -5.644 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.441 -6.991 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.832 -6.284 -0.184 1.00 0.00 H new ATOM 0 HG3 GLN A 23 14.308 -4.937 -1.175 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.669 -4.589 1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 23 14.551 -3.799 2.417 1.00 0.00 H new ATOM 373 N ILE A 24 10.693 -7.595 -2.679 1.00 0.00 N ATOM 374 CA ILE A 24 9.503 -8.462 -2.908 1.00 0.00 C ATOM 375 C ILE A 24 9.798 -9.464 -4.025 1.00 0.00 C ATOM 376 O ILE A 24 9.475 -10.630 -3.926 1.00 0.00 O ATOM 377 CB ILE A 24 8.379 -7.505 -3.313 1.00 0.00 C ATOM 378 CG1 ILE A 24 8.075 -6.565 -2.144 1.00 0.00 C ATOM 379 CG2 ILE A 24 7.123 -8.306 -3.662 1.00 0.00 C ATOM 380 CD1 ILE A 24 7.137 -5.450 -2.609 1.00 0.00 C ATOM 0 H ILE A 24 10.567 -6.611 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 24 9.233 -9.041 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 24 8.689 -6.925 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.616 -7.122 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.001 -6.137 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.324 -7.623 -3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.340 -8.980 -4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.809 -8.886 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.923 -4.783 -1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.612 -4.886 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.207 -5.886 -2.973 1.00 0.00 H new ATOM 392 N LYS A 25 10.470 -9.038 -5.055 1.00 0.00 N ATOM 393 CA LYS A 25 10.853 -9.998 -6.126 1.00 0.00 C ATOM 394 C LYS A 25 11.814 -11.050 -5.561 1.00 0.00 C ATOM 395 O LYS A 25 11.564 -12.238 -5.638 1.00 0.00 O ATOM 396 CB LYS A 25 11.548 -9.146 -7.187 1.00 0.00 C ATOM 397 CG LYS A 25 10.528 -8.204 -7.832 1.00 0.00 C ATOM 398 CD LYS A 25 11.221 -7.350 -8.895 1.00 0.00 C ATOM 399 CE LYS A 25 10.200 -6.408 -9.539 1.00 0.00 C ATOM 400 NZ LYS A 25 9.076 -7.292 -9.961 1.00 0.00 N ATOM 0 H LYS A 25 10.769 -8.074 -5.202 1.00 0.00 H new ATOM 0 HA LYS A 25 9.997 -10.534 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.356 -8.570 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.998 -9.786 -7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.720 -8.780 -8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.078 -7.564 -7.073 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.029 -6.774 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.671 -7.990 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.862 -5.649 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.630 -5.882 -10.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.571 -6.855 -10.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.452 -8.216 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.419 -7.422 -9.165 1.00 0.00 H new ATOM 414 N ASN A 26 12.885 -10.620 -4.950 1.00 0.00 N ATOM 415 CA ASN A 26 13.833 -11.590 -4.327 1.00 0.00 C ATOM 416 C ASN A 26 13.133 -12.414 -3.240 1.00 0.00 C ATOM 417 O ASN A 26 13.375 -13.595 -3.093 1.00 0.00 O ATOM 418 CB ASN A 26 14.944 -10.730 -3.718 1.00 0.00 C ATOM 419 CG ASN A 26 15.855 -10.206 -4.831 1.00 0.00 C ATOM 420 OD1 ASN A 26 15.914 -9.017 -5.073 1.00 0.00 O ATOM 421 ND2 ASN A 26 16.573 -11.049 -5.522 1.00 0.00 N ATOM 0 H ASN A 26 13.145 -9.638 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 26 14.220 -12.302 -5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 26 14.511 -9.896 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 26 15.524 -11.317 -3.006 1.00 0.00 H new ATOM 0 HD21 ASN A 26 17.184 -10.709 -6.265 1.00 0.00 H new ATOM 0 HD22 ASN A 26 16.524 -12.047 -5.319 1.00 0.00 H new ATOM 428 N GLY A 27 12.341 -11.779 -2.416 1.00 0.00 N ATOM 429 CA GLY A 27 11.716 -12.505 -1.274 1.00 0.00 C ATOM 430 C GLY A 27 10.231 -12.737 -1.551 1.00 0.00 C ATOM 431 O GLY A 27 9.754 -13.854 -1.511 1.00 0.00 O ATOM 0 H GLY A 27 12.101 -10.790 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.219 -13.460 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.838 -11.929 -0.356 1.00 0.00 H new ATOM 435 N ALA A 28 9.489 -11.667 -1.737 1.00 0.00 N ATOM 436 CA ALA A 28 8.002 -11.756 -1.924 1.00 0.00 C ATOM 437 C ALA A 28 7.312 -11.838 -0.564 1.00 0.00 C ATOM 438 O ALA A 28 7.182 -12.897 0.018 1.00 0.00 O ATOM 439 CB ALA A 28 7.727 -13.009 -2.763 1.00 0.00 C ATOM 0 H ALA A 28 9.860 -10.717 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 28 7.612 -10.874 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.654 -13.112 -2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.230 -12.920 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.101 -13.888 -2.238 1.00 0.00 H new ATOM 445 N ASP A 29 6.974 -10.710 -0.005 1.00 0.00 N ATOM 446 CA ASP A 29 6.417 -10.700 1.374 1.00 0.00 C ATOM 447 C ASP A 29 6.031 -9.272 1.770 1.00 0.00 C ATOM 448 O ASP A 29 6.777 -8.577 2.432 1.00 0.00 O ATOM 449 CB ASP A 29 7.561 -11.216 2.240 1.00 0.00 C ATOM 450 CG ASP A 29 7.303 -12.679 2.609 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.151 -13.077 2.601 1.00 0.00 O ATOM 452 OD2 ASP A 29 8.264 -13.375 2.894 1.00 0.00 O ATOM 0 H ASP A 29 7.060 -9.794 -0.445 1.00 0.00 H new ATOM 0 HA ASP A 29 5.517 -11.306 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.506 -11.126 1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.648 -10.612 3.143 1.00 0.00 H new ATOM 457 N PHE A 30 4.907 -8.805 1.304 1.00 0.00 N ATOM 458 CA PHE A 30 4.514 -7.390 1.576 1.00 0.00 C ATOM 459 C PHE A 30 4.395 -7.139 3.081 1.00 0.00 C ATOM 460 O PHE A 30 4.740 -6.082 3.569 1.00 0.00 O ATOM 461 CB PHE A 30 3.156 -7.215 0.893 1.00 0.00 C ATOM 462 CG PHE A 30 3.352 -6.641 -0.492 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.557 -5.263 -0.653 1.00 0.00 C ATOM 464 CD2 PHE A 30 3.329 -7.482 -1.616 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.740 -4.726 -1.936 1.00 0.00 C ATOM 466 CE2 PHE A 30 3.511 -6.944 -2.898 1.00 0.00 C ATOM 467 CZ PHE A 30 3.717 -5.567 -3.058 1.00 0.00 C ATOM 0 H PHE A 30 4.242 -9.340 0.746 1.00 0.00 H new ATOM 0 HA PHE A 30 5.255 -6.684 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.643 -8.175 0.830 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.523 -6.554 1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.574 -4.615 0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.171 -8.543 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.899 -3.665 -2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.492 -7.591 -3.763 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.858 -5.153 -4.046 1.00 0.00 H new ATOM 477 N GLY A 31 3.845 -8.069 3.811 1.00 0.00 N ATOM 478 CA GLY A 31 3.632 -7.837 5.269 1.00 0.00 C ATOM 479 C GLY A 31 4.977 -7.642 5.973 1.00 0.00 C ATOM 480 O GLY A 31 5.155 -6.722 6.749 1.00 0.00 O ATOM 0 H GLY A 31 3.535 -8.976 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.004 -6.958 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.103 -8.684 5.706 1.00 0.00 H new ATOM 484 N LYS A 32 5.901 -8.541 5.771 1.00 0.00 N ATOM 485 CA LYS A 32 7.197 -8.449 6.503 1.00 0.00 C ATOM 486 C LYS A 32 7.974 -7.208 6.060 1.00 0.00 C ATOM 487 O LYS A 32 8.580 -6.521 6.861 1.00 0.00 O ATOM 488 CB LYS A 32 7.955 -9.719 6.116 1.00 0.00 C ATOM 489 CG LYS A 32 7.278 -10.933 6.754 1.00 0.00 C ATOM 490 CD LYS A 32 8.041 -12.201 6.365 1.00 0.00 C ATOM 491 CE LYS A 32 7.362 -13.420 6.994 1.00 0.00 C ATOM 492 NZ LYS A 32 8.346 -14.527 6.835 1.00 0.00 N ATOM 0 H LYS A 32 5.816 -9.333 5.133 1.00 0.00 H new ATOM 0 HA LYS A 32 7.057 -8.364 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.973 -9.828 5.032 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.991 -9.652 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.259 -10.825 7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.242 -11.002 6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.066 -12.305 5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.075 -12.133 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.129 -13.245 8.044 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.422 -13.651 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.955 -15.400 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.543 -14.674 5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.228 -14.281 7.327 1.00 0.00 H new ATOM 506 N LEU A 33 7.955 -6.909 4.791 1.00 0.00 N ATOM 507 CA LEU A 33 8.689 -5.708 4.300 1.00 0.00 C ATOM 508 C LEU A 33 8.051 -4.434 4.863 1.00 0.00 C ATOM 509 O LEU A 33 8.732 -3.502 5.240 1.00 0.00 O ATOM 510 CB LEU A 33 8.559 -5.758 2.777 1.00 0.00 C ATOM 511 CG LEU A 33 9.390 -6.923 2.230 1.00 0.00 C ATOM 512 CD1 LEU A 33 9.257 -6.974 0.707 1.00 0.00 C ATOM 513 CD2 LEU A 33 10.859 -6.725 2.608 1.00 0.00 C ATOM 0 H LEU A 33 7.464 -7.443 4.073 1.00 0.00 H new ATOM 0 HA LEU A 33 9.733 -5.701 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.513 -5.880 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.900 -4.819 2.341 1.00 0.00 H new ATOM 0 HG LEU A 33 9.029 -7.858 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.848 -7.803 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.210 -7.117 0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.617 -6.039 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.450 -7.554 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.221 -5.790 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 10.954 -6.690 3.693 1.00 0.00 H new ATOM 525 N ALA A 34 6.749 -4.389 4.925 1.00 0.00 N ATOM 526 CA ALA A 34 6.067 -3.179 5.463 1.00 0.00 C ATOM 527 C ALA A 34 6.511 -2.914 6.901 1.00 0.00 C ATOM 528 O ALA A 34 6.878 -1.812 7.252 1.00 0.00 O ATOM 529 CB ALA A 34 4.580 -3.528 5.431 1.00 0.00 C ATOM 0 H ALA A 34 6.127 -5.140 4.626 1.00 0.00 H new ATOM 0 HA ALA A 34 6.299 -2.284 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.001 -2.687 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.278 -3.741 4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 4.399 -4.405 6.052 1.00 0.00 H new ATOM 535 N LYS A 35 6.465 -3.910 7.740 1.00 0.00 N ATOM 536 CA LYS A 35 6.867 -3.701 9.160 1.00 0.00 C ATOM 537 C LYS A 35 8.323 -3.233 9.244 1.00 0.00 C ATOM 538 O LYS A 35 8.650 -2.331 9.987 1.00 0.00 O ATOM 539 CB LYS A 35 6.707 -5.069 9.821 1.00 0.00 C ATOM 540 CG LYS A 35 7.098 -4.971 11.297 1.00 0.00 C ATOM 541 CD LYS A 35 6.936 -6.340 11.959 1.00 0.00 C ATOM 542 CE LYS A 35 7.353 -6.248 13.428 1.00 0.00 C ATOM 543 NZ LYS A 35 6.098 -5.918 14.160 1.00 0.00 N ATOM 0 H LYS A 35 6.168 -4.857 7.506 1.00 0.00 H new ATOM 0 HA LYS A 35 6.263 -2.936 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.676 -5.411 9.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.333 -5.804 9.316 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.129 -4.630 11.389 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.473 -4.235 11.802 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.901 -6.672 11.884 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.547 -7.080 11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.779 -7.188 13.778 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.111 -5.479 13.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.300 -5.838 15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.719 -5.015 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.397 -6.671 14.005 1.00 0.00 H new ATOM 557 N LYS A 36 9.210 -3.897 8.556 1.00 0.00 N ATOM 558 CA LYS A 36 10.656 -3.550 8.679 1.00 0.00 C ATOM 559 C LYS A 36 10.910 -2.094 8.260 1.00 0.00 C ATOM 560 O LYS A 36 11.661 -1.385 8.900 1.00 0.00 O ATOM 561 CB LYS A 36 11.373 -4.516 7.734 1.00 0.00 C ATOM 562 CG LYS A 36 12.886 -4.391 7.928 1.00 0.00 C ATOM 563 CD LYS A 36 13.592 -5.521 7.175 1.00 0.00 C ATOM 564 CE LYS A 36 15.104 -5.295 7.216 1.00 0.00 C ATOM 565 NZ LYS A 36 15.698 -6.651 7.037 1.00 0.00 N ATOM 0 H LYS A 36 8.999 -4.662 7.916 1.00 0.00 H new ATOM 0 HA LYS A 36 11.010 -3.638 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.054 -5.539 7.932 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.109 -4.294 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.232 -3.424 7.562 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.132 -4.437 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.345 -6.482 7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.247 -5.555 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.424 -4.616 6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.412 -4.850 8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.735 -6.580 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.381 -7.273 7.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.393 -7.046 6.125 1.00 0.00 H new ATOM 579 N HIS A 37 10.414 -1.691 7.121 1.00 0.00 N ATOM 580 CA HIS A 37 10.774 -0.338 6.594 1.00 0.00 C ATOM 581 C HIS A 37 9.921 0.764 7.235 1.00 0.00 C ATOM 582 O HIS A 37 10.379 1.873 7.432 1.00 0.00 O ATOM 583 CB HIS A 37 10.501 -0.418 5.093 1.00 0.00 C ATOM 584 CG HIS A 37 11.448 -1.407 4.473 1.00 0.00 C ATOM 585 ND1 HIS A 37 12.823 -1.237 4.514 1.00 0.00 N ATOM 586 CD2 HIS A 37 11.234 -2.583 3.801 1.00 0.00 C ATOM 587 CE1 HIS A 37 13.379 -2.287 3.885 1.00 0.00 C ATOM 588 NE2 HIS A 37 12.456 -3.138 3.430 1.00 0.00 N ATOM 0 H HIS A 37 9.780 -2.234 6.535 1.00 0.00 H new ATOM 0 HA HIS A 37 11.810 -0.085 6.820 1.00 0.00 H new ATOM 0 HB2 HIS A 37 9.470 -0.722 4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.628 0.563 4.635 1.00 0.00 H new ATOM 0 HD2 HIS A 37 10.266 -3.013 3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 37 14.443 -2.425 3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.612 -4.008 2.920 1.00 0.00 H new ATOM 596 N SER A 38 8.654 0.520 7.421 1.00 0.00 N ATOM 597 CA SER A 38 7.744 1.611 7.880 1.00 0.00 C ATOM 598 C SER A 38 8.189 2.165 9.236 1.00 0.00 C ATOM 599 O SER A 38 8.271 3.363 9.418 1.00 0.00 O ATOM 600 CB SER A 38 6.376 0.944 7.999 1.00 0.00 C ATOM 601 OG SER A 38 5.473 1.830 8.645 1.00 0.00 O ATOM 0 H SER A 38 8.208 -0.386 7.276 1.00 0.00 H new ATOM 0 HA SER A 38 7.740 2.456 7.192 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.000 0.681 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.460 0.016 8.565 1.00 0.00 H new ATOM 0 HG SER A 38 5.719 2.756 8.438 1.00 0.00 H new ATOM 607 N ILE A 39 8.425 1.301 10.193 1.00 0.00 N ATOM 608 CA ILE A 39 8.803 1.754 11.569 1.00 0.00 C ATOM 609 C ILE A 39 8.113 3.077 11.925 1.00 0.00 C ATOM 610 O ILE A 39 8.747 4.024 12.346 1.00 0.00 O ATOM 611 CB ILE A 39 10.318 1.945 11.516 1.00 0.00 C ATOM 612 CG1 ILE A 39 10.989 0.627 11.126 1.00 0.00 C ATOM 613 CG2 ILE A 39 10.823 2.382 12.890 1.00 0.00 C ATOM 614 CD1 ILE A 39 12.481 0.867 10.892 1.00 0.00 C ATOM 0 H ILE A 39 8.371 0.289 10.078 1.00 0.00 H new ATOM 0 HA ILE A 39 8.499 1.034 12.328 1.00 0.00 H new ATOM 0 HB ILE A 39 10.560 2.708 10.776 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.848 -0.113 11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.528 0.224 10.224 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.904 2.519 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.348 3.322 13.170 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.578 1.618 13.628 1.00 0.00 H new ATOM 0 HD11 ILE A 39 12.961 -0.071 10.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.611 1.593 10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 39 12.936 1.250 11.806 1.00 0.00 H new ATOM 626 N CYS A 40 6.827 3.167 11.709 1.00 0.00 N ATOM 627 CA CYS A 40 6.113 4.450 11.981 1.00 0.00 C ATOM 628 C CYS A 40 4.745 4.176 12.620 1.00 0.00 C ATOM 629 O CYS A 40 4.363 3.037 12.802 1.00 0.00 O ATOM 630 CB CYS A 40 5.957 5.116 10.609 1.00 0.00 C ATOM 631 SG CYS A 40 4.677 4.266 9.650 1.00 0.00 S ATOM 0 H CYS A 40 6.241 2.410 11.357 1.00 0.00 H new ATOM 0 HA CYS A 40 6.657 5.087 12.679 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.693 6.166 10.733 1.00 0.00 H new ATOM 0 HB3 CYS A 40 6.905 5.087 10.072 1.00 0.00 H new ATOM 0 HG CYS A 40 4.852 2.981 9.737 1.00 0.00 H new ATOM 637 N PRO A 41 4.068 5.237 12.974 1.00 0.00 N ATOM 638 CA PRO A 41 2.750 5.111 13.641 1.00 0.00 C ATOM 639 C PRO A 41 1.720 4.563 12.655 1.00 0.00 C ATOM 640 O PRO A 41 0.776 5.229 12.281 1.00 0.00 O ATOM 641 CB PRO A 41 2.394 6.537 14.067 1.00 0.00 C ATOM 642 CG PRO A 41 3.597 7.384 13.763 1.00 0.00 C ATOM 643 CD PRO A 41 4.460 6.632 12.786 1.00 0.00 C ATOM 0 HA PRO A 41 2.769 4.427 14.490 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.519 6.897 13.526 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.150 6.576 15.129 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.292 8.342 13.343 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.153 7.598 14.676 1.00 0.00 H new ATOM 0 HD2 PRO A 41 4.285 6.962 11.762 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.520 6.781 12.992 1.00 0.00 H new ATOM 651 N SER A 42 1.903 3.343 12.244 1.00 0.00 N ATOM 652 CA SER A 42 0.952 2.701 11.285 1.00 0.00 C ATOM 653 C SER A 42 1.583 1.439 10.702 1.00 0.00 C ATOM 654 O SER A 42 0.924 0.452 10.534 1.00 0.00 O ATOM 655 CB SER A 42 0.683 3.715 10.167 1.00 0.00 C ATOM 656 OG SER A 42 1.724 4.680 10.115 1.00 0.00 O ATOM 0 H SER A 42 2.681 2.750 12.533 1.00 0.00 H new ATOM 0 HA SER A 42 0.024 2.421 11.784 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.608 3.199 9.210 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.273 4.210 10.338 1.00 0.00 H new ATOM 0 HG SER A 42 2.524 4.277 9.718 1.00 0.00 H new ATOM 662 N GLY A 43 2.842 1.472 10.355 1.00 0.00 N ATOM 663 CA GLY A 43 3.476 0.268 9.741 1.00 0.00 C ATOM 664 C GLY A 43 3.014 -0.995 10.474 1.00 0.00 C ATOM 665 O GLY A 43 2.728 -2.005 9.862 1.00 0.00 O ATOM 0 H GLY A 43 3.457 2.277 10.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.210 0.204 8.686 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.562 0.352 9.792 1.00 0.00 H new ATOM 669 N LYS A 44 2.856 -0.925 11.767 1.00 0.00 N ATOM 670 CA LYS A 44 2.315 -2.103 12.509 1.00 0.00 C ATOM 671 C LYS A 44 0.913 -2.453 11.994 1.00 0.00 C ATOM 672 O LYS A 44 0.537 -3.605 11.904 1.00 0.00 O ATOM 673 CB LYS A 44 2.252 -1.650 13.968 1.00 0.00 C ATOM 674 CG LYS A 44 3.655 -1.274 14.449 1.00 0.00 C ATOM 675 CD LYS A 44 4.510 -2.537 14.569 1.00 0.00 C ATOM 676 CE LYS A 44 5.920 -2.154 15.021 1.00 0.00 C ATOM 677 NZ LYS A 44 5.715 -1.296 16.222 1.00 0.00 N ATOM 0 H LYS A 44 3.076 -0.110 12.340 1.00 0.00 H new ATOM 0 HA LYS A 44 2.931 -2.993 12.383 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.582 -0.796 14.066 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.845 -2.447 14.590 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.115 -0.576 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.597 -0.769 15.413 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.062 -3.227 15.284 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.551 -3.054 13.610 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.512 -3.037 15.262 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.454 -1.617 14.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.524 -1.403 16.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.635 -0.301 15.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.843 -1.584 16.710 1.00 0.00 H new ATOM 691 N ARG A 45 0.120 -1.454 11.724 1.00 0.00 N ATOM 692 CA ARG A 45 -1.290 -1.681 11.293 1.00 0.00 C ATOM 693 C ARG A 45 -1.429 -1.490 9.767 1.00 0.00 C ATOM 694 O ARG A 45 -2.084 -2.261 9.094 1.00 0.00 O ATOM 695 CB ARG A 45 -2.073 -0.619 12.083 1.00 0.00 C ATOM 696 CG ARG A 45 -3.358 -0.221 11.355 1.00 0.00 C ATOM 697 CD ARG A 45 -4.390 -1.341 11.492 1.00 0.00 C ATOM 698 NE ARG A 45 -4.803 -1.299 12.924 1.00 0.00 N ATOM 699 CZ ARG A 45 -5.610 -2.208 13.405 1.00 0.00 C ATOM 700 NH1 ARG A 45 -6.057 -3.164 12.636 1.00 0.00 N ATOM 701 NH2 ARG A 45 -5.968 -2.160 14.659 1.00 0.00 N ATOM 0 H ARG A 45 0.393 -0.473 11.785 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.652 -2.691 11.487 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.318 -1.006 13.072 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.448 0.262 12.230 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.753 0.705 11.773 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.148 -0.032 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.240 -1.180 10.829 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.962 -2.309 11.231 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.454 -0.557 13.531 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -5.777 -3.203 11.656 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -6.686 -3.871 13.015 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.618 -1.415 15.261 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -6.598 -2.868 15.037 1.00 0.00 H new ATOM 715 N GLY A 46 -0.817 -0.469 9.226 1.00 0.00 N ATOM 716 CA GLY A 46 -0.899 -0.207 7.757 1.00 0.00 C ATOM 717 C GLY A 46 -0.446 -1.444 6.981 1.00 0.00 C ATOM 718 O GLY A 46 -1.008 -1.787 5.960 1.00 0.00 O ATOM 0 H GLY A 46 -0.256 0.204 9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.921 0.051 7.482 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.273 0.646 7.496 1.00 0.00 H new ATOM 722 N GLY A 47 0.519 -2.158 7.494 1.00 0.00 N ATOM 723 CA GLY A 47 0.949 -3.419 6.825 1.00 0.00 C ATOM 724 C GLY A 47 -0.169 -4.461 6.933 1.00 0.00 C ATOM 725 O GLY A 47 -0.094 -5.527 6.354 1.00 0.00 O ATOM 0 H GLY A 47 1.028 -1.923 8.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.182 -3.227 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.860 -3.797 7.289 1.00 0.00 H new ATOM 729 N ASP A 48 -1.212 -4.154 7.656 1.00 0.00 N ATOM 730 CA ASP A 48 -2.346 -5.109 7.793 1.00 0.00 C ATOM 731 C ASP A 48 -3.520 -4.401 8.472 1.00 0.00 C ATOM 732 O ASP A 48 -3.899 -4.719 9.581 1.00 0.00 O ATOM 733 CB ASP A 48 -1.811 -6.237 8.675 1.00 0.00 C ATOM 734 CG ASP A 48 -2.771 -7.427 8.623 1.00 0.00 C ATOM 735 OD1 ASP A 48 -3.901 -7.232 8.208 1.00 0.00 O ATOM 736 OD2 ASP A 48 -2.359 -8.511 9.000 1.00 0.00 O ATOM 0 H ASP A 48 -1.327 -3.275 8.161 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.701 -5.487 6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.821 -6.540 8.335 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.702 -5.889 9.702 1.00 0.00 H new ATOM 741 N LEU A 49 -4.070 -3.410 7.819 1.00 0.00 N ATOM 742 CA LEU A 49 -5.190 -2.637 8.426 1.00 0.00 C ATOM 743 C LEU A 49 -6.451 -3.503 8.492 1.00 0.00 C ATOM 744 O LEU A 49 -7.328 -3.275 9.301 1.00 0.00 O ATOM 745 CB LEU A 49 -5.403 -1.433 7.500 1.00 0.00 C ATOM 746 CG LEU A 49 -4.213 -0.474 7.619 1.00 0.00 C ATOM 747 CD1 LEU A 49 -3.908 0.124 6.246 1.00 0.00 C ATOM 748 CD2 LEU A 49 -4.551 0.657 8.596 1.00 0.00 C ATOM 0 H LEU A 49 -3.789 -3.103 6.888 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.968 -2.322 9.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.510 -1.769 6.469 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.326 -0.917 7.764 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.346 -1.022 7.987 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.062 0.807 6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.664 -0.676 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.780 0.668 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.701 1.335 8.676 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.420 1.205 8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.773 0.236 9.577 1.00 0.00 H new ATOM 760 N GLY A 50 -6.582 -4.451 7.602 1.00 0.00 N ATOM 761 CA GLY A 50 -7.824 -5.269 7.569 1.00 0.00 C ATOM 762 C GLY A 50 -8.727 -4.763 6.444 1.00 0.00 C ATOM 763 O GLY A 50 -8.262 -4.384 5.386 1.00 0.00 O ATOM 0 H GLY A 50 -5.883 -4.692 6.899 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.578 -6.319 7.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.343 -5.204 8.525 1.00 0.00 H new ATOM 767 N GLU A 51 -10.014 -4.771 6.652 1.00 0.00 N ATOM 768 CA GLU A 51 -10.938 -4.309 5.579 1.00 0.00 C ATOM 769 C GLU A 51 -11.616 -2.997 5.991 1.00 0.00 C ATOM 770 O GLU A 51 -12.086 -2.849 7.101 1.00 0.00 O ATOM 771 CB GLU A 51 -11.966 -5.429 5.432 1.00 0.00 C ATOM 772 CG GLU A 51 -12.725 -5.248 4.118 1.00 0.00 C ATOM 773 CD GLU A 51 -13.635 -6.454 3.881 1.00 0.00 C ATOM 774 OE1 GLU A 51 -13.632 -7.346 4.713 1.00 0.00 O ATOM 775 OE2 GLU A 51 -14.319 -6.466 2.871 1.00 0.00 O ATOM 0 H GLU A 51 -10.465 -5.076 7.515 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.418 -4.112 4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.469 -6.399 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.661 -5.413 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.317 -4.334 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.022 -5.142 3.292 1.00 0.00 H new ATOM 782 N PHE A 52 -11.644 -2.035 5.108 1.00 0.00 N ATOM 783 CA PHE A 52 -12.262 -0.717 5.445 1.00 0.00 C ATOM 784 C PHE A 52 -12.939 -0.125 4.207 1.00 0.00 C ATOM 785 O PHE A 52 -12.719 -0.570 3.101 1.00 0.00 O ATOM 786 CB PHE A 52 -11.093 0.164 5.890 1.00 0.00 C ATOM 787 CG PHE A 52 -10.013 0.155 4.834 1.00 0.00 C ATOM 788 CD1 PHE A 52 -10.256 0.722 3.574 1.00 0.00 C ATOM 789 CD2 PHE A 52 -8.764 -0.420 5.113 1.00 0.00 C ATOM 790 CE1 PHE A 52 -9.255 0.716 2.596 1.00 0.00 C ATOM 791 CE2 PHE A 52 -7.761 -0.424 4.133 1.00 0.00 C ATOM 792 CZ PHE A 52 -8.006 0.144 2.875 1.00 0.00 C ATOM 0 H PHE A 52 -11.264 -2.104 4.164 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.026 -0.801 6.218 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -11.439 1.184 6.061 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -10.692 -0.199 6.836 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.218 1.164 3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -8.575 -0.859 6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -9.445 1.152 1.626 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -6.799 -0.865 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.233 0.141 2.121 1.00 0.00 H new ATOM 802 N ARG A 53 -13.753 0.881 4.378 1.00 0.00 N ATOM 803 CA ARG A 53 -14.426 1.493 3.191 1.00 0.00 C ATOM 804 C ARG A 53 -13.400 2.221 2.318 1.00 0.00 C ATOM 805 O ARG A 53 -12.437 2.771 2.811 1.00 0.00 O ATOM 806 CB ARG A 53 -15.452 2.485 3.748 1.00 0.00 C ATOM 807 CG ARG A 53 -16.572 1.719 4.454 1.00 0.00 C ATOM 808 CD ARG A 53 -17.622 2.705 4.967 1.00 0.00 C ATOM 809 NE ARG A 53 -18.652 1.853 5.629 1.00 0.00 N ATOM 810 CZ ARG A 53 -19.873 2.295 5.787 1.00 0.00 C ATOM 811 NH1 ARG A 53 -20.203 3.489 5.372 1.00 0.00 N ATOM 812 NH2 ARG A 53 -20.767 1.539 6.365 1.00 0.00 N ATOM 0 H ARG A 53 -13.981 1.304 5.278 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.903 0.736 2.568 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.970 3.170 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.864 3.090 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -17.031 1.009 3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -16.165 1.141 5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.187 3.417 5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.053 3.285 4.151 1.00 0.00 H new ATOM 0 HE ARG A 53 -18.403 0.921 5.960 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -19.507 4.083 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -21.157 3.827 5.498 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -20.512 0.607 6.692 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -21.720 1.881 6.490 1.00 0.00 H new ATOM 826 N GLN A 54 -13.579 2.184 1.022 1.00 0.00 N ATOM 827 CA GLN A 54 -12.592 2.830 0.101 1.00 0.00 C ATOM 828 C GLN A 54 -12.545 4.345 0.331 1.00 0.00 C ATOM 829 O GLN A 54 -12.890 5.129 -0.531 1.00 0.00 O ATOM 830 CB GLN A 54 -13.097 2.515 -1.310 1.00 0.00 C ATOM 831 CG GLN A 54 -14.522 3.049 -1.486 1.00 0.00 C ATOM 832 CD GLN A 54 -15.014 2.728 -2.899 1.00 0.00 C ATOM 833 OE1 GLN A 54 -14.894 1.609 -3.356 1.00 0.00 O ATOM 834 NE2 GLN A 54 -15.565 3.669 -3.614 1.00 0.00 N ATOM 0 H GLN A 54 -14.368 1.733 0.560 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.580 2.460 0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.437 2.966 -2.051 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.079 1.438 -1.480 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -15.185 2.599 -0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.542 4.126 -1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -15.666 4.609 -3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.895 3.465 -4.557 1.00 0.00 H new ATOM 843 N GLY A 55 -12.129 4.758 1.493 1.00 0.00 N ATOM 844 CA GLY A 55 -12.067 6.213 1.799 1.00 0.00 C ATOM 845 C GLY A 55 -11.911 6.392 3.312 1.00 0.00 C ATOM 846 O GLY A 55 -12.738 7.003 3.960 1.00 0.00 O ATOM 0 H GLY A 55 -11.827 4.145 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -11.229 6.673 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.972 6.711 1.451 1.00 0.00 H new ATOM 850 N GLN A 56 -10.837 5.901 3.878 1.00 0.00 N ATOM 851 CA GLN A 56 -10.619 6.092 5.342 1.00 0.00 C ATOM 852 C GLN A 56 -9.349 6.899 5.557 1.00 0.00 C ATOM 853 O GLN A 56 -9.338 7.909 6.232 1.00 0.00 O ATOM 854 CB GLN A 56 -10.403 4.696 5.947 1.00 0.00 C ATOM 855 CG GLN A 56 -11.350 3.652 5.336 1.00 0.00 C ATOM 856 CD GLN A 56 -12.538 3.436 6.268 1.00 0.00 C ATOM 857 OE1 GLN A 56 -12.496 2.602 7.150 1.00 0.00 O ATOM 858 NE2 GLN A 56 -13.600 4.165 6.108 1.00 0.00 N ATOM 0 H GLN A 56 -10.107 5.380 3.392 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.465 6.607 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -9.370 4.387 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.558 4.740 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.697 3.988 4.359 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -10.821 2.712 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.631 4.864 5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -14.403 4.038 6.724 1.00 0.00 H new ATOM 867 N MET A 57 -8.251 6.346 5.132 1.00 0.00 N ATOM 868 CA MET A 57 -6.937 6.947 5.468 1.00 0.00 C ATOM 869 C MET A 57 -6.472 7.890 4.354 1.00 0.00 C ATOM 870 O MET A 57 -6.026 8.991 4.605 1.00 0.00 O ATOM 871 CB MET A 57 -5.983 5.759 5.592 1.00 0.00 C ATOM 872 CG MET A 57 -4.583 6.266 5.943 1.00 0.00 C ATOM 873 SD MET A 57 -3.402 4.899 5.830 1.00 0.00 S ATOM 874 CE MET A 57 -3.517 4.647 4.042 1.00 0.00 C ATOM 0 H MET A 57 -8.208 5.500 4.564 1.00 0.00 H new ATOM 0 HA MET A 57 -6.981 7.540 6.381 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.337 5.073 6.362 1.00 0.00 H new ATOM 0 HB3 MET A 57 -5.956 5.201 4.656 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.294 7.068 5.264 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.577 6.684 6.950 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.723 3.974 3.718 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.485 4.210 3.798 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.412 5.605 3.532 1.00 0.00 H new ATOM 884 N VAL A 58 -6.473 7.419 3.137 1.00 0.00 N ATOM 885 CA VAL A 58 -5.917 8.235 2.019 1.00 0.00 C ATOM 886 C VAL A 58 -6.747 8.024 0.747 1.00 0.00 C ATOM 887 O VAL A 58 -7.024 6.902 0.368 1.00 0.00 O ATOM 888 CB VAL A 58 -4.493 7.706 1.829 1.00 0.00 C ATOM 889 CG1 VAL A 58 -4.552 6.254 1.354 1.00 0.00 C ATOM 890 CG2 VAL A 58 -3.756 8.549 0.785 1.00 0.00 C ATOM 0 H VAL A 58 -6.835 6.504 2.868 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.934 9.304 2.231 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.960 7.765 2.778 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.539 5.874 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.069 5.649 2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.089 6.203 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.744 8.166 0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.287 8.497 -0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.711 9.585 1.120 1.00 0.00 H new ATOM 900 N PRO A 59 -7.087 9.112 0.111 1.00 0.00 N ATOM 901 CA PRO A 59 -7.856 9.044 -1.157 1.00 0.00 C ATOM 902 C PRO A 59 -7.047 8.300 -2.221 1.00 0.00 C ATOM 903 O PRO A 59 -7.541 7.413 -2.887 1.00 0.00 O ATOM 904 CB PRO A 59 -8.053 10.508 -1.555 1.00 0.00 C ATOM 905 CG PRO A 59 -7.063 11.285 -0.741 1.00 0.00 C ATOM 906 CD PRO A 59 -6.789 10.490 0.505 1.00 0.00 C ATOM 0 HA PRO A 59 -8.802 8.512 -1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.881 10.651 -2.622 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -9.072 10.836 -1.350 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.144 11.446 -1.304 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -7.459 12.269 -0.490 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.754 10.599 0.830 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.419 10.815 1.333 1.00 0.00 H new ATOM 914 N ALA A 60 -5.806 8.667 -2.384 1.00 0.00 N ATOM 915 CA ALA A 60 -4.946 8.001 -3.405 1.00 0.00 C ATOM 916 C ALA A 60 -5.208 6.493 -3.438 1.00 0.00 C ATOM 917 O ALA A 60 -5.124 5.863 -4.473 1.00 0.00 O ATOM 918 CB ALA A 60 -3.512 8.287 -2.952 1.00 0.00 C ATOM 0 H ALA A 60 -5.347 9.405 -1.850 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.145 8.370 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.812 7.830 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.347 9.364 -2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.355 7.871 -1.957 1.00 0.00 H new ATOM 924 N PHE A 61 -5.519 5.905 -2.316 1.00 0.00 N ATOM 925 CA PHE A 61 -5.776 4.437 -2.301 1.00 0.00 C ATOM 926 C PHE A 61 -6.945 4.092 -3.225 1.00 0.00 C ATOM 927 O PHE A 61 -6.899 3.132 -3.968 1.00 0.00 O ATOM 928 CB PHE A 61 -6.132 4.105 -0.852 1.00 0.00 C ATOM 929 CG PHE A 61 -6.607 2.675 -0.780 1.00 0.00 C ATOM 930 CD1 PHE A 61 -5.680 1.635 -0.640 1.00 0.00 C ATOM 931 CD2 PHE A 61 -7.977 2.385 -0.861 1.00 0.00 C ATOM 932 CE1 PHE A 61 -6.118 0.306 -0.582 1.00 0.00 C ATOM 933 CE2 PHE A 61 -8.418 1.056 -0.801 1.00 0.00 C ATOM 934 CZ PHE A 61 -7.488 0.015 -0.662 1.00 0.00 C ATOM 0 H PHE A 61 -5.606 6.374 -1.414 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.913 3.870 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.263 4.246 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.909 4.779 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.625 1.858 -0.577 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -8.693 3.187 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.401 -0.495 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.473 0.833 -0.862 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.826 -1.010 -0.617 1.00 0.00 H new ATOM 944 N ASP A 62 -7.999 4.854 -3.173 1.00 0.00 N ATOM 945 CA ASP A 62 -9.174 4.551 -4.039 1.00 0.00 C ATOM 946 C ASP A 62 -8.772 4.613 -5.514 1.00 0.00 C ATOM 947 O ASP A 62 -9.219 3.825 -6.323 1.00 0.00 O ATOM 948 CB ASP A 62 -10.200 5.635 -3.712 1.00 0.00 C ATOM 949 CG ASP A 62 -11.458 5.418 -4.555 1.00 0.00 C ATOM 950 OD1 ASP A 62 -11.384 4.667 -5.514 1.00 0.00 O ATOM 951 OD2 ASP A 62 -12.477 6.004 -4.225 1.00 0.00 O ATOM 0 H ASP A 62 -8.100 5.671 -2.571 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.572 3.552 -3.862 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.450 5.606 -2.652 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.780 6.621 -3.913 1.00 0.00 H new ATOM 956 N LYS A 63 -7.957 5.564 -5.877 1.00 0.00 N ATOM 957 CA LYS A 63 -7.561 5.697 -7.306 1.00 0.00 C ATOM 958 C LYS A 63 -6.881 4.413 -7.793 1.00 0.00 C ATOM 959 O LYS A 63 -7.172 3.914 -8.861 1.00 0.00 O ATOM 960 CB LYS A 63 -6.582 6.871 -7.332 1.00 0.00 C ATOM 961 CG LYS A 63 -7.322 8.155 -6.948 1.00 0.00 C ATOM 962 CD LYS A 63 -8.366 8.481 -8.019 1.00 0.00 C ATOM 963 CE LYS A 63 -9.061 9.799 -7.671 1.00 0.00 C ATOM 964 NZ LYS A 63 -9.981 10.056 -8.815 1.00 0.00 N ATOM 0 H LYS A 63 -7.549 6.254 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.417 5.864 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.760 6.690 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.145 6.973 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.805 8.033 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.616 8.979 -6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.889 8.556 -8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.099 7.677 -8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.609 9.722 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.340 10.608 -7.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.497 10.945 -8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.430 10.131 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.660 9.272 -8.898 1.00 0.00 H new ATOM 978 N VAL A 64 -5.969 3.878 -7.025 1.00 0.00 N ATOM 979 CA VAL A 64 -5.270 2.633 -7.463 1.00 0.00 C ATOM 980 C VAL A 64 -6.204 1.424 -7.349 1.00 0.00 C ATOM 981 O VAL A 64 -6.325 0.646 -8.273 1.00 0.00 O ATOM 982 CB VAL A 64 -4.061 2.487 -6.535 1.00 0.00 C ATOM 983 CG1 VAL A 64 -4.526 2.376 -5.080 1.00 0.00 C ATOM 984 CG2 VAL A 64 -3.282 1.228 -6.915 1.00 0.00 C ATOM 0 H VAL A 64 -5.679 4.246 -6.119 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.961 2.688 -8.507 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.422 3.364 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.659 2.272 -4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -5.081 3.273 -4.806 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -5.169 1.503 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.420 1.121 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.928 0.356 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.942 1.308 -7.947 1.00 0.00 H new ATOM 994 N VAL A 65 -6.990 1.349 -6.309 1.00 0.00 N ATOM 995 CA VAL A 65 -8.044 0.292 -6.268 1.00 0.00 C ATOM 996 C VAL A 65 -8.935 0.407 -7.510 1.00 0.00 C ATOM 997 O VAL A 65 -9.414 -0.577 -8.038 1.00 0.00 O ATOM 998 CB VAL A 65 -8.840 0.562 -4.989 1.00 0.00 C ATOM 999 CG1 VAL A 65 -10.212 -0.115 -5.077 1.00 0.00 C ATOM 1000 CG2 VAL A 65 -8.073 -0.005 -3.793 1.00 0.00 C ATOM 0 H VAL A 65 -6.951 1.964 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.629 -0.716 -6.266 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.977 1.637 -4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.774 0.081 -4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.759 0.282 -5.932 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.080 -1.190 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.634 0.184 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.940 -1.079 -3.922 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.097 0.476 -3.726 1.00 0.00 H new ATOM 1010 N PHE A 66 -9.099 1.599 -8.018 1.00 0.00 N ATOM 1011 CA PHE A 66 -9.887 1.778 -9.271 1.00 0.00 C ATOM 1012 C PHE A 66 -8.941 1.827 -10.479 1.00 0.00 C ATOM 1013 O PHE A 66 -9.367 1.861 -11.616 1.00 0.00 O ATOM 1014 CB PHE A 66 -10.607 3.115 -9.092 1.00 0.00 C ATOM 1015 CG PHE A 66 -11.956 3.056 -9.768 1.00 0.00 C ATOM 1016 CD1 PHE A 66 -13.030 2.411 -9.136 1.00 0.00 C ATOM 1017 CD2 PHE A 66 -12.136 3.645 -11.028 1.00 0.00 C ATOM 1018 CE1 PHE A 66 -14.282 2.355 -9.765 1.00 0.00 C ATOM 1019 CE2 PHE A 66 -13.388 3.589 -11.656 1.00 0.00 C ATOM 1020 CZ PHE A 66 -14.461 2.944 -11.024 1.00 0.00 C ATOM 0 H PHE A 66 -8.720 2.458 -7.618 1.00 0.00 H new ATOM 0 HA PHE A 66 -10.587 0.961 -9.448 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.729 3.335 -8.031 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.010 3.921 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -12.892 1.958 -8.165 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -11.310 4.142 -11.515 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -15.109 1.858 -9.279 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.526 4.042 -12.626 1.00 0.00 H new ATOM 0 HZ PHE A 66 -15.426 2.901 -11.508 1.00 0.00 H new ATOM 1030 N SER A 67 -7.662 1.718 -10.235 1.00 0.00 N ATOM 1031 CA SER A 67 -6.679 1.634 -11.350 1.00 0.00 C ATOM 1032 C SER A 67 -6.342 0.165 -11.626 1.00 0.00 C ATOM 1033 O SER A 67 -6.700 -0.383 -12.649 1.00 0.00 O ATOM 1034 CB SER A 67 -5.443 2.379 -10.845 1.00 0.00 C ATOM 1035 OG SER A 67 -4.603 2.701 -11.944 1.00 0.00 O ATOM 0 H SER A 67 -7.254 1.683 -9.301 1.00 0.00 H new ATOM 0 HA SER A 67 -7.059 2.062 -12.278 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.741 3.288 -10.323 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.901 1.762 -10.128 1.00 0.00 H new ATOM 0 HG SER A 67 -3.811 3.180 -11.621 1.00 0.00 H new ATOM 1041 N CYS A 68 -5.731 -0.497 -10.678 1.00 0.00 N ATOM 1042 CA CYS A 68 -5.461 -1.955 -10.836 1.00 0.00 C ATOM 1043 C CYS A 68 -6.641 -2.769 -10.293 1.00 0.00 C ATOM 1044 O CYS A 68 -7.128 -2.506 -9.212 1.00 0.00 O ATOM 1045 CB CYS A 68 -4.205 -2.217 -10.006 1.00 0.00 C ATOM 1046 SG CYS A 68 -2.786 -1.407 -10.786 1.00 0.00 S ATOM 0 H CYS A 68 -5.407 -0.089 -9.801 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.327 -2.241 -11.879 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.341 -1.840 -8.992 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.026 -3.289 -9.926 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.697 -1.740 -10.158 1.00 0.00 H new ATOM 1052 N PRO A 69 -7.093 -3.703 -11.087 1.00 0.00 N ATOM 1053 CA PRO A 69 -8.266 -4.525 -10.701 1.00 0.00 C ATOM 1054 C PRO A 69 -7.927 -5.433 -9.513 1.00 0.00 C ATOM 1055 O PRO A 69 -7.737 -6.619 -9.674 1.00 0.00 O ATOM 1056 CB PRO A 69 -8.563 -5.355 -11.949 1.00 0.00 C ATOM 1057 CG PRO A 69 -7.298 -5.339 -12.751 1.00 0.00 C ATOM 1058 CD PRO A 69 -6.560 -4.074 -12.400 1.00 0.00 C ATOM 0 HA PRO A 69 -9.117 -3.920 -10.387 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -8.847 -6.374 -11.684 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.392 -4.930 -12.515 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.689 -6.214 -12.525 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.519 -5.371 -13.818 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.483 -4.238 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -6.737 -3.291 -13.138 1.00 0.00 H new ATOM 1066 N VAL A 70 -7.932 -4.878 -8.319 1.00 0.00 N ATOM 1067 CA VAL A 70 -7.681 -5.669 -7.060 1.00 0.00 C ATOM 1068 C VAL A 70 -6.615 -6.765 -7.255 1.00 0.00 C ATOM 1069 O VAL A 70 -5.982 -6.834 -8.282 1.00 0.00 O ATOM 1070 CB VAL A 70 -9.047 -6.276 -6.679 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -9.868 -5.221 -5.943 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -9.814 -6.729 -7.925 1.00 0.00 C ATOM 0 H VAL A 70 -8.104 -3.885 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.284 -5.029 -6.272 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.878 -7.145 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.836 -5.640 -5.669 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.338 -4.911 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.017 -4.358 -6.592 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.773 -7.153 -7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.982 -5.874 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.233 -7.483 -8.456 1.00 0.00 H new ATOM 1082 N LEU A 71 -6.296 -7.484 -6.189 1.00 0.00 N ATOM 1083 CA LEU A 71 -5.133 -8.445 -6.179 1.00 0.00 C ATOM 1084 C LEU A 71 -4.063 -8.086 -7.214 1.00 0.00 C ATOM 1085 O LEU A 71 -3.436 -8.941 -7.804 1.00 0.00 O ATOM 1086 CB LEU A 71 -5.707 -9.875 -6.381 1.00 0.00 C ATOM 1087 CG LEU A 71 -6.473 -10.085 -7.711 1.00 0.00 C ATOM 1088 CD1 LEU A 71 -7.757 -9.254 -7.748 1.00 0.00 C ATOM 1089 CD2 LEU A 71 -5.598 -9.755 -8.925 1.00 0.00 C ATOM 0 H LEU A 71 -6.807 -7.441 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.613 -8.388 -5.223 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.886 -10.591 -6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.377 -10.103 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.740 -11.141 -7.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.272 -9.423 -8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.406 -9.550 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.509 -8.197 -7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.169 -9.914 -9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.280 -8.714 -8.872 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.721 -10.402 -8.928 1.00 0.00 H new ATOM 1101 N GLU A 72 -3.776 -6.822 -7.349 1.00 0.00 N ATOM 1102 CA GLU A 72 -2.671 -6.391 -8.247 1.00 0.00 C ATOM 1103 C GLU A 72 -1.864 -5.282 -7.571 1.00 0.00 C ATOM 1104 O GLU A 72 -2.114 -4.113 -7.787 1.00 0.00 O ATOM 1105 CB GLU A 72 -3.366 -5.864 -9.503 1.00 0.00 C ATOM 1106 CG GLU A 72 -2.320 -5.300 -10.467 1.00 0.00 C ATOM 1107 CD GLU A 72 -1.696 -6.443 -11.270 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -1.410 -7.470 -10.678 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -1.515 -6.270 -12.464 1.00 0.00 O ATOM 0 H GLU A 72 -4.264 -6.064 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.977 -7.199 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.926 -6.666 -9.985 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.085 -5.089 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.783 -4.579 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.548 -4.768 -9.912 1.00 0.00 H new ATOM 1116 N PRO A 73 -0.969 -5.691 -6.716 1.00 0.00 N ATOM 1117 CA PRO A 73 -0.177 -4.722 -5.929 1.00 0.00 C ATOM 1118 C PRO A 73 0.296 -3.576 -6.824 1.00 0.00 C ATOM 1119 O PRO A 73 0.790 -3.790 -7.914 1.00 0.00 O ATOM 1120 CB PRO A 73 0.997 -5.552 -5.424 1.00 0.00 C ATOM 1121 CG PRO A 73 0.485 -6.960 -5.378 1.00 0.00 C ATOM 1122 CD PRO A 73 -0.611 -7.080 -6.409 1.00 0.00 C ATOM 0 HA PRO A 73 -0.738 -4.257 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.856 -5.466 -6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.322 -5.218 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.288 -7.667 -5.588 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.104 -7.197 -4.385 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -0.266 -7.608 -7.298 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -1.465 -7.635 -6.020 1.00 0.00 H new ATOM 1130 N THR A 74 0.072 -2.362 -6.408 1.00 0.00 N ATOM 1131 CA THR A 74 0.423 -1.203 -7.275 1.00 0.00 C ATOM 1132 C THR A 74 1.285 -0.206 -6.500 1.00 0.00 C ATOM 1133 O THR A 74 1.023 0.098 -5.353 1.00 0.00 O ATOM 1134 CB THR A 74 -0.920 -0.574 -7.646 1.00 0.00 C ATOM 1135 OG1 THR A 74 -1.751 -1.556 -8.247 1.00 0.00 O ATOM 1136 CG2 THR A 74 -0.695 0.577 -8.628 1.00 0.00 C ATOM 0 H THR A 74 -0.339 -2.122 -5.506 1.00 0.00 H new ATOM 0 HA THR A 74 0.995 -1.499 -8.154 1.00 0.00 H new ATOM 0 HB THR A 74 -1.402 -0.191 -6.746 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.346 -1.128 -8.898 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.654 1.024 -8.891 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.058 1.331 -8.165 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.212 0.198 -9.529 1.00 0.00 H new ATOM 1144 N GLY A 75 2.326 0.287 -7.111 1.00 0.00 N ATOM 1145 CA GLY A 75 3.219 1.245 -6.404 1.00 0.00 C ATOM 1146 C GLY A 75 4.679 0.835 -6.631 1.00 0.00 C ATOM 1147 O GLY A 75 4.948 -0.093 -7.368 1.00 0.00 O ATOM 0 H GLY A 75 2.597 0.067 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 75 3.051 2.257 -6.773 1.00 0.00 H new ATOM 0 HA3 GLY A 75 2.993 1.253 -5.338 1.00 0.00 H new ATOM 1151 N PRO A 76 5.586 1.551 -6.006 1.00 0.00 N ATOM 1152 CA PRO A 76 5.212 2.679 -5.113 1.00 0.00 C ATOM 1153 C PRO A 76 4.708 3.864 -5.941 1.00 0.00 C ATOM 1154 O PRO A 76 5.015 3.989 -7.110 1.00 0.00 O ATOM 1155 CB PRO A 76 6.516 3.014 -4.392 1.00 0.00 C ATOM 1156 CG PRO A 76 7.601 2.528 -5.302 1.00 0.00 C ATOM 1157 CD PRO A 76 7.039 1.370 -6.086 1.00 0.00 C ATOM 0 HA PRO A 76 4.407 2.436 -4.419 1.00 0.00 H new ATOM 0 HB2 PRO A 76 6.603 4.086 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.567 2.523 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.927 3.324 -5.972 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.474 2.217 -4.728 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.385 1.384 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.345 0.415 -5.660 1.00 0.00 H new ATOM 1165 N LEU A 77 3.866 4.684 -5.373 1.00 0.00 N ATOM 1166 CA LEU A 77 3.263 5.797 -6.164 1.00 0.00 C ATOM 1167 C LEU A 77 3.379 7.116 -5.399 1.00 0.00 C ATOM 1168 O LEU A 77 3.502 7.136 -4.192 1.00 0.00 O ATOM 1169 CB LEU A 77 1.793 5.412 -6.340 1.00 0.00 C ATOM 1170 CG LEU A 77 1.080 6.500 -7.146 1.00 0.00 C ATOM 1171 CD1 LEU A 77 1.737 6.626 -8.523 1.00 0.00 C ATOM 1172 CD2 LEU A 77 -0.394 6.130 -7.315 1.00 0.00 C ATOM 0 H LEU A 77 3.570 4.633 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 77 3.766 5.938 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.715 4.453 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.317 5.293 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 77 1.155 7.451 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.230 7.401 -9.098 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.787 6.892 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.662 5.675 -9.050 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.900 6.906 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.472 5.179 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.862 6.041 -6.334 1.00 0.00 H new ATOM 1184 N HIS A 78 3.386 8.217 -6.098 1.00 0.00 N ATOM 1185 CA HIS A 78 3.550 9.533 -5.415 1.00 0.00 C ATOM 1186 C HIS A 78 2.245 9.957 -4.732 1.00 0.00 C ATOM 1187 O HIS A 78 1.196 10.003 -5.344 1.00 0.00 O ATOM 1188 CB HIS A 78 3.916 10.514 -6.529 1.00 0.00 C ATOM 1189 CG HIS A 78 3.996 11.906 -5.961 1.00 0.00 C ATOM 1190 ND1 HIS A 78 2.916 12.775 -5.983 1.00 0.00 N ATOM 1191 CD2 HIS A 78 5.018 12.590 -5.351 1.00 0.00 C ATOM 1192 CE1 HIS A 78 3.310 13.923 -5.402 1.00 0.00 C ATOM 1193 NE2 HIS A 78 4.582 13.865 -4.999 1.00 0.00 N ATOM 0 H HIS A 78 3.285 8.264 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 78 4.310 9.495 -4.635 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.871 10.236 -6.975 1.00 0.00 H new ATOM 0 HB3 HIS A 78 3.170 10.475 -7.323 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.009 12.199 -5.171 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.674 14.787 -5.277 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.119 14.597 -4.534 1.00 0.00 H new ATOM 1201 N THR A 79 2.326 10.347 -3.490 1.00 0.00 N ATOM 1202 CA THR A 79 1.121 10.866 -2.778 1.00 0.00 C ATOM 1203 C THR A 79 1.518 12.027 -1.865 1.00 0.00 C ATOM 1204 O THR A 79 2.680 12.356 -1.727 1.00 0.00 O ATOM 1205 CB THR A 79 0.592 9.694 -1.947 1.00 0.00 C ATOM 1206 OG1 THR A 79 -0.584 10.101 -1.261 1.00 0.00 O ATOM 1207 CG2 THR A 79 1.652 9.262 -0.932 1.00 0.00 C ATOM 0 H THR A 79 3.180 10.329 -2.933 1.00 0.00 H new ATOM 0 HA THR A 79 0.366 11.237 -3.472 1.00 0.00 H new ATOM 0 HB THR A 79 0.362 8.856 -2.604 1.00 0.00 H new ATOM 0 HG1 THR A 79 -0.869 9.390 -0.650 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.272 8.428 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.555 8.953 -1.458 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.885 10.097 -0.271 1.00 0.00 H new ATOM 1215 N GLN A 80 0.558 12.675 -1.267 1.00 0.00 N ATOM 1216 CA GLN A 80 0.873 13.847 -0.401 1.00 0.00 C ATOM 1217 C GLN A 80 1.789 13.430 0.755 1.00 0.00 C ATOM 1218 O GLN A 80 2.460 14.250 1.349 1.00 0.00 O ATOM 1219 CB GLN A 80 -0.481 14.316 0.138 1.00 0.00 C ATOM 1220 CG GLN A 80 -1.297 14.937 -0.998 1.00 0.00 C ATOM 1221 CD GLN A 80 -2.720 15.215 -0.507 1.00 0.00 C ATOM 1222 OE1 GLN A 80 -2.927 15.521 0.650 1.00 0.00 O ATOM 1223 NE2 GLN A 80 -3.718 15.119 -1.344 1.00 0.00 N ATOM 0 H GLN A 80 -0.433 12.444 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 80 1.393 14.632 -0.950 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.023 13.475 0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -0.334 15.045 0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -0.829 15.862 -1.334 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -1.321 14.263 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -3.546 14.862 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -4.670 15.301 -1.026 1.00 0.00 H new ATOM 1232 N PHE A 81 1.717 12.194 1.168 1.00 0.00 N ATOM 1233 CA PHE A 81 2.466 11.774 2.388 1.00 0.00 C ATOM 1234 C PHE A 81 3.809 11.137 2.013 1.00 0.00 C ATOM 1235 O PHE A 81 4.458 10.519 2.834 1.00 0.00 O ATOM 1236 CB PHE A 81 1.565 10.742 3.062 1.00 0.00 C ATOM 1237 CG PHE A 81 0.198 11.338 3.294 1.00 0.00 C ATOM 1238 CD1 PHE A 81 -0.062 12.065 4.465 1.00 0.00 C ATOM 1239 CD2 PHE A 81 -0.812 11.162 2.338 1.00 0.00 C ATOM 1240 CE1 PHE A 81 -1.334 12.616 4.678 1.00 0.00 C ATOM 1241 CE2 PHE A 81 -2.083 11.714 2.551 1.00 0.00 C ATOM 1242 CZ PHE A 81 -2.345 12.440 3.722 1.00 0.00 C ATOM 0 H PHE A 81 1.174 11.459 0.716 1.00 0.00 H new ATOM 0 HA PHE A 81 2.692 12.620 3.037 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.484 9.852 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.001 10.427 4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.716 12.200 5.202 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.611 10.601 1.437 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.535 13.176 5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.860 11.580 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.325 12.863 3.887 1.00 0.00 H new ATOM 1252 N GLY A 82 4.205 11.222 0.773 1.00 0.00 N ATOM 1253 CA GLY A 82 5.469 10.551 0.354 1.00 0.00 C ATOM 1254 C GLY A 82 5.153 9.520 -0.731 1.00 0.00 C ATOM 1255 O GLY A 82 4.517 9.825 -1.716 1.00 0.00 O ATOM 0 H GLY A 82 3.712 11.724 0.035 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.179 11.288 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.938 10.065 1.209 1.00 0.00 H new ATOM 1259 N TYR A 83 5.533 8.288 -0.528 1.00 0.00 N ATOM 1260 CA TYR A 83 5.180 7.234 -1.521 1.00 0.00 C ATOM 1261 C TYR A 83 4.215 6.222 -0.899 1.00 0.00 C ATOM 1262 O TYR A 83 4.388 5.793 0.222 1.00 0.00 O ATOM 1263 CB TYR A 83 6.503 6.560 -1.884 1.00 0.00 C ATOM 1264 CG TYR A 83 7.350 7.513 -2.693 1.00 0.00 C ATOM 1265 CD1 TYR A 83 7.244 7.531 -4.091 1.00 0.00 C ATOM 1266 CD2 TYR A 83 8.246 8.376 -2.047 1.00 0.00 C ATOM 1267 CE1 TYR A 83 8.033 8.414 -4.842 1.00 0.00 C ATOM 1268 CE2 TYR A 83 9.034 9.259 -2.798 1.00 0.00 C ATOM 1269 CZ TYR A 83 8.928 9.277 -4.196 1.00 0.00 C ATOM 1270 OH TYR A 83 9.705 10.146 -4.935 1.00 0.00 O ATOM 0 H TYR A 83 6.070 7.967 0.278 1.00 0.00 H new ATOM 0 HA TYR A 83 4.684 7.649 -2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.033 6.265 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.315 5.650 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.555 6.865 -4.589 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.329 8.361 -0.970 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.951 8.429 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.723 9.925 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 83 10.269 10.674 -4.332 1.00 0.00 H new ATOM 1280 N HIS A 84 3.231 5.799 -1.643 1.00 0.00 N ATOM 1281 CA HIS A 84 2.286 4.768 -1.124 1.00 0.00 C ATOM 1282 C HIS A 84 2.285 3.540 -2.035 1.00 0.00 C ATOM 1283 O HIS A 84 1.815 3.596 -3.153 1.00 0.00 O ATOM 1284 CB HIS A 84 0.904 5.425 -1.155 1.00 0.00 C ATOM 1285 CG HIS A 84 0.698 6.254 0.080 1.00 0.00 C ATOM 1286 ND1 HIS A 84 -0.362 7.137 0.201 1.00 0.00 N ATOM 1287 CD2 HIS A 84 1.396 6.341 1.259 1.00 0.00 C ATOM 1288 CE1 HIS A 84 -0.275 7.713 1.410 1.00 0.00 C ATOM 1289 NE2 HIS A 84 0.780 7.264 2.099 1.00 0.00 N ATOM 0 H HIS A 84 3.039 6.123 -2.591 1.00 0.00 H new ATOM 0 HA HIS A 84 2.566 4.439 -0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.810 6.051 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.131 4.660 -1.222 1.00 0.00 H new ATOM 0 HD2 HIS A 84 2.287 5.779 1.498 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.972 8.450 1.782 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.070 7.539 3.037 1.00 0.00 H new ATOM 1297 N ILE A 85 2.601 2.393 -1.501 1.00 0.00 N ATOM 1298 CA ILE A 85 2.371 1.145 -2.285 1.00 0.00 C ATOM 1299 C ILE A 85 1.223 0.352 -1.655 1.00 0.00 C ATOM 1300 O ILE A 85 1.036 0.374 -0.453 1.00 0.00 O ATOM 1301 CB ILE A 85 3.687 0.367 -2.230 1.00 0.00 C ATOM 1302 CG1 ILE A 85 3.708 -0.659 -3.364 1.00 0.00 C ATOM 1303 CG2 ILE A 85 3.813 -0.360 -0.892 1.00 0.00 C ATOM 1304 CD1 ILE A 85 5.153 -0.921 -3.784 1.00 0.00 C ATOM 0 H ILE A 85 3.002 2.265 -0.572 1.00 0.00 H new ATOM 0 HA ILE A 85 2.090 1.347 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 85 4.520 1.062 -2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.238 -1.587 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.132 -0.291 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.753 -0.910 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.794 0.367 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.982 -1.056 -0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.170 -1.652 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 85 5.607 0.009 -4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.715 -1.307 -2.933 1.00 0.00 H new ATOM 1316 N ILE A 86 0.341 -0.169 -2.465 1.00 0.00 N ATOM 1317 CA ILE A 86 -0.916 -0.746 -1.912 1.00 0.00 C ATOM 1318 C ILE A 86 -1.213 -2.118 -2.525 1.00 0.00 C ATOM 1319 O ILE A 86 -1.340 -2.254 -3.725 1.00 0.00 O ATOM 1320 CB ILE A 86 -1.996 0.256 -2.314 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.882 1.505 -1.437 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -3.379 -0.377 -2.138 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -2.471 2.705 -2.179 1.00 0.00 C ATOM 0 H ILE A 86 0.436 -0.220 -3.479 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.856 -0.900 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.862 0.535 -3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.410 1.351 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.838 1.694 -1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.147 0.341 -2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.456 -1.263 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.520 -0.660 -1.095 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.390 3.595 -1.554 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.923 2.863 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.520 2.514 -2.404 1.00 0.00 H new ATOM 1335 N LYS A 87 -1.515 -3.082 -1.699 1.00 0.00 N ATOM 1336 CA LYS A 87 -2.028 -4.378 -2.227 1.00 0.00 C ATOM 1337 C LYS A 87 -3.537 -4.473 -1.967 1.00 0.00 C ATOM 1338 O LYS A 87 -4.002 -4.197 -0.878 1.00 0.00 O ATOM 1339 CB LYS A 87 -1.273 -5.452 -1.443 1.00 0.00 C ATOM 1340 CG LYS A 87 -1.725 -6.839 -1.907 1.00 0.00 C ATOM 1341 CD LYS A 87 -0.943 -7.911 -1.145 1.00 0.00 C ATOM 1342 CE LYS A 87 0.442 -8.076 -1.776 1.00 0.00 C ATOM 1343 NZ LYS A 87 0.307 -9.241 -2.695 1.00 0.00 N ATOM 0 H LYS A 87 -1.429 -3.029 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.877 -4.487 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.199 -5.339 -1.593 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.459 -5.336 -0.375 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.794 -6.962 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.561 -6.947 -2.979 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.846 -7.629 -0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.482 -8.858 -1.172 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.739 -7.178 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 87 1.203 -8.257 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.207 -9.397 -3.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.063 -10.090 -2.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.443 -9.050 -3.390 1.00 0.00 H new ATOM 1357 N VAL A 88 -4.310 -4.759 -2.980 1.00 0.00 N ATOM 1358 CA VAL A 88 -5.796 -4.750 -2.813 1.00 0.00 C ATOM 1359 C VAL A 88 -6.345 -6.179 -2.850 1.00 0.00 C ATOM 1360 O VAL A 88 -5.885 -7.011 -3.608 1.00 0.00 O ATOM 1361 CB VAL A 88 -6.322 -3.941 -4.000 1.00 0.00 C ATOM 1362 CG1 VAL A 88 -7.846 -3.841 -3.912 1.00 0.00 C ATOM 1363 CG2 VAL A 88 -5.716 -2.536 -3.970 1.00 0.00 C ATOM 0 H VAL A 88 -3.980 -4.998 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.101 -4.320 -1.859 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.043 -4.436 -4.930 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.222 -3.265 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.278 -4.841 -3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -8.125 -3.345 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.091 -1.960 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.995 -2.039 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -4.630 -2.607 -4.032 1.00 0.00 H new ATOM 1373 N LEU A 89 -7.292 -6.485 -2.003 1.00 0.00 N ATOM 1374 CA LEU A 89 -7.827 -7.866 -1.953 1.00 0.00 C ATOM 1375 C LEU A 89 -9.355 -7.834 -1.752 1.00 0.00 C ATOM 1376 O LEU A 89 -9.838 -7.328 -0.757 1.00 0.00 O ATOM 1377 CB LEU A 89 -7.157 -8.497 -0.733 1.00 0.00 C ATOM 1378 CG LEU A 89 -5.638 -8.482 -0.915 1.00 0.00 C ATOM 1379 CD1 LEU A 89 -4.966 -8.945 0.380 1.00 0.00 C ATOM 1380 CD2 LEU A 89 -5.252 -9.426 -2.055 1.00 0.00 C ATOM 0 H LEU A 89 -7.716 -5.832 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.630 -8.420 -2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -7.431 -7.949 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.507 -9.521 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.310 -7.470 -1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.884 -8.935 0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.242 -8.273 1.193 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.294 -9.957 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.170 -9.416 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.579 -10.438 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -5.732 -9.098 -2.977 1.00 0.00 H new ATOM 1392 N TYR A 90 -10.094 -8.495 -2.610 1.00 0.00 N ATOM 1393 CA TYR A 90 -11.571 -8.677 -2.408 1.00 0.00 C ATOM 1394 C TYR A 90 -12.356 -7.434 -2.844 1.00 0.00 C ATOM 1395 O TYR A 90 -13.230 -7.512 -3.685 1.00 0.00 O ATOM 1396 CB TYR A 90 -11.777 -8.970 -0.917 1.00 0.00 C ATOM 1397 CG TYR A 90 -12.657 -10.187 -0.770 1.00 0.00 C ATOM 1398 CD1 TYR A 90 -14.053 -10.051 -0.803 1.00 0.00 C ATOM 1399 CD2 TYR A 90 -12.081 -11.454 -0.605 1.00 0.00 C ATOM 1400 CE1 TYR A 90 -14.872 -11.181 -0.671 1.00 0.00 C ATOM 1401 CE2 TYR A 90 -12.900 -12.585 -0.471 1.00 0.00 C ATOM 1402 CZ TYR A 90 -14.294 -12.448 -0.504 1.00 0.00 C ATOM 1403 OH TYR A 90 -15.100 -13.561 -0.373 1.00 0.00 O ATOM 0 H TYR A 90 -9.730 -8.926 -3.460 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.944 -9.497 -3.021 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -10.816 -9.140 -0.431 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -12.236 -8.112 -0.425 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -14.497 -9.075 -0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.006 -11.560 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -15.947 -11.076 -0.698 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -12.456 -13.561 -0.342 1.00 0.00 H new ATOM 0 HH TYR A 90 -14.541 -14.359 -0.267 1.00 0.00 H new ATOM 1413 N ARG A 91 -12.073 -6.293 -2.276 1.00 0.00 N ATOM 1414 CA ARG A 91 -12.835 -5.069 -2.663 1.00 0.00 C ATOM 1415 C ARG A 91 -14.340 -5.289 -2.478 1.00 0.00 C ATOM 1416 O ARG A 91 -15.141 -4.860 -3.283 1.00 0.00 O ATOM 1417 CB ARG A 91 -12.505 -4.855 -4.136 1.00 0.00 C ATOM 1418 CG ARG A 91 -13.029 -3.491 -4.587 1.00 0.00 C ATOM 1419 CD ARG A 91 -12.536 -3.200 -6.006 1.00 0.00 C ATOM 1420 NE ARG A 91 -13.267 -4.167 -6.874 1.00 0.00 N ATOM 1421 CZ ARG A 91 -13.190 -4.070 -8.175 1.00 0.00 C ATOM 1422 NH1 ARG A 91 -12.477 -3.123 -8.724 1.00 0.00 N ATOM 1423 NH2 ARG A 91 -13.827 -4.924 -8.929 1.00 0.00 N ATOM 0 H ARG A 91 -11.353 -6.155 -1.566 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.568 -4.208 -2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.427 -4.910 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.954 -5.645 -4.738 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.119 -3.481 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.686 -2.714 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.749 -2.171 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.457 -3.336 -6.085 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.829 -4.906 -6.451 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.977 -2.455 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.420 -3.051 -9.740 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.383 -5.665 -8.503 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.768 -4.850 -9.945 1.00 0.00 H new ATOM 1437 N ASN A 92 -14.728 -5.949 -1.422 1.00 0.00 N ATOM 1438 CA ASN A 92 -16.182 -6.189 -1.181 1.00 0.00 C ATOM 1439 C ASN A 92 -16.377 -6.989 0.110 1.00 0.00 C ATOM 1440 O ASN A 92 -15.402 -7.531 0.602 1.00 0.00 O ATOM 1441 CB ASN A 92 -16.658 -6.997 -2.389 1.00 0.00 C ATOM 1442 CG ASN A 92 -17.403 -6.077 -3.359 1.00 0.00 C ATOM 1443 OD1 ASN A 92 -18.357 -5.309 -2.907 1.00 0.00 O flip ATOM 1444 ND2 ASN A 92 -17.116 -6.058 -4.539 1.00 0.00 N flip ATOM 1445 OXT ASN A 92 -17.501 -7.045 0.583 1.00 0.00 O ATOM 0 H ASN A 92 -14.102 -6.333 -0.714 1.00 0.00 H new ATOM 0 HA ASN A 92 -16.741 -5.260 -1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.806 -7.458 -2.890 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.312 -7.806 -2.064 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.371 -6.658 -4.892 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.620 -5.442 -5.177 1.00 0.00 H new TER 1452 ASN A 92