USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 143 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 68 HIS : +bothHN:sc= -13.3! C(o=-24!,f=-35!) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -11.2! C(o=-26!,f=-24!) USER MOD Set 2.1: A 24 TYR OH : rot -110:sc= -2.74! USER MOD Set 2.2: A 26 LYS NZ :NH3+ 168:sc= -2.57! (180deg=-3.27!) USER MOD Set 2.3: A 51 LYS NZ :NH3+ 127:sc= -6.13! (180deg=-10.2!) USER MOD Set 3.1: A 1 ILE N :NH3+ -127:sc= -2.84! (180deg=-6.75!) USER MOD Set 3.2: A 15 THR OG1 : rot -96:sc= -1.9! USER MOD Single : A 4 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-13!) USER MOD Single : A 5 THR OG1 : rot 140:sc=-0.00798 USER MOD Single : A 6 THR OG1 : rot 170:sc= -0.0183 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 9:sc= 0.975 USER MOD Single : A 21 ASN :FLIP amide:sc= -2 F(o=-6.4!,f=-2) USER MOD Single : A 27 MET CE :methyl -151:sc= -0.419 (180deg=-1.86!) USER MOD Single : A 34 SER OG : rot 29:sc= 0.448 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= -14.6! (180deg=-19.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 109:sc= -0.919 USER MOD Single : A 58 THR OG1 : rot -140:sc= 0.811 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -14.7! C(o=-17!,f=-15!) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= -10.4! (180deg=-11.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 3.861 13.402 -3.392 1.00 0.00 N ATOM 2 CA ILE A 1 5.025 12.530 -3.122 1.00 0.00 C ATOM 3 C ILE A 1 5.303 11.663 -4.338 1.00 0.00 C ATOM 4 O ILE A 1 6.148 11.990 -5.162 1.00 0.00 O ATOM 5 CB ILE A 1 4.895 11.736 -1.819 1.00 0.00 C ATOM 6 CG1 ILE A 1 4.794 12.611 -0.593 1.00 0.00 C ATOM 7 CG2 ILE A 1 5.935 10.675 -1.483 1.00 0.00 C ATOM 8 CD1 ILE A 1 3.887 13.843 -0.497 1.00 0.00 C ATOM 0 H1 ILE A 1 4.117 14.392 -3.200 1.00 0.00 H new ATOM 0 H2 ILE A 1 3.578 13.305 -4.388 1.00 0.00 H new ATOM 0 H3 ILE A 1 3.069 13.123 -2.778 1.00 0.00 H new ATOM 0 HA ILE A 1 5.897 13.163 -2.955 1.00 0.00 H new ATOM 0 HB ILE A 1 3.972 11.207 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.505 11.954 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 1 5.805 12.959 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.688 10.213 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 1 5.943 9.913 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 1 6.920 11.138 -1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 1 3.996 14.299 0.487 1.00 0.00 H new ATOM 0 HD12 ILE A 1 4.170 14.564 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 1 2.849 13.543 -0.645 1.00 0.00 H new ATOM 12 N VAL A 2 4.493 10.637 -4.447 1.00 0.00 N ATOM 13 CA VAL A 2 4.576 9.654 -5.526 1.00 0.00 C ATOM 14 C VAL A 2 3.307 8.877 -5.536 1.00 0.00 C ATOM 15 O VAL A 2 2.354 9.407 -6.048 1.00 0.00 O ATOM 16 CB VAL A 2 5.811 8.759 -5.469 1.00 0.00 C ATOM 17 CG1 VAL A 2 5.735 7.453 -6.261 1.00 0.00 C ATOM 18 CG2 VAL A 2 6.797 9.500 -6.347 1.00 0.00 C ATOM 0 H VAL A 2 3.742 10.450 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 2 4.699 10.189 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 2 6.004 8.553 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 2 6.668 6.902 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.908 6.849 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.574 7.676 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 2 7.736 8.948 -6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 2 6.389 9.593 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 2 6.976 10.493 -5.935 1.00 0.00 H new ATOM 20 N CYS A 3 3.258 7.749 -4.873 1.00 0.00 N ATOM 21 CA CYS A 3 2.131 6.855 -4.998 1.00 0.00 C ATOM 22 C CYS A 3 0.821 7.587 -4.945 1.00 0.00 C ATOM 23 O CYS A 3 0.689 8.512 -4.212 1.00 0.00 O ATOM 24 CB CYS A 3 2.138 6.131 -3.733 1.00 0.00 C ATOM 25 SG CYS A 3 1.961 6.680 -2.048 1.00 0.00 S ATOM 0 H CYS A 3 3.988 7.426 -4.238 1.00 0.00 H new ATOM 0 HA CYS A 3 2.212 6.285 -5.923 1.00 0.00 H new ATOM 0 HB2 CYS A 3 1.353 5.384 -3.852 1.00 0.00 H new ATOM 0 HB3 CYS A 3 3.089 5.598 -3.739 1.00 0.00 H new ATOM 27 N HIS A 4 -0.148 7.153 -5.669 1.00 0.00 N ATOM 28 CA HIS A 4 -1.399 7.919 -5.681 1.00 0.00 C ATOM 29 C HIS A 4 -2.556 6.943 -5.651 1.00 0.00 C ATOM 30 O HIS A 4 -3.371 6.823 -6.561 1.00 0.00 O ATOM 31 CB HIS A 4 -1.575 8.927 -6.828 1.00 0.00 C ATOM 32 CG HIS A 4 -0.682 10.138 -7.071 1.00 0.00 C ATOM 33 ND1 HIS A 4 0.495 10.192 -7.687 1.00 0.00 N ATOM 34 CD2 HIS A 4 -0.986 11.378 -6.756 1.00 0.00 C ATOM 35 CE1 HIS A 4 0.933 11.455 -7.659 1.00 0.00 C ATOM 36 NE2 HIS A 4 0.008 12.191 -7.081 1.00 0.00 N ATOM 0 H HIS A 4 -0.131 6.312 -6.246 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.367 8.551 -4.793 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -1.544 8.343 -7.748 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -2.588 9.317 -6.732 1.00 0.00 H new ATOM 0 HD1 HIS A 4 0.982 9.402 -8.110 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.913 11.689 -6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.879 11.808 -8.043 1.00 0.00 H new ATOM 39 N THR A 5 -2.455 6.120 -4.622 1.00 0.00 N ATOM 40 CA THR A 5 -3.505 5.138 -4.382 1.00 0.00 C ATOM 41 C THR A 5 -3.818 5.055 -2.904 1.00 0.00 C ATOM 42 O THR A 5 -4.543 5.915 -2.429 1.00 0.00 O ATOM 43 CB THR A 5 -3.219 3.767 -4.974 1.00 0.00 C ATOM 44 OG1 THR A 5 -2.940 3.824 -6.375 1.00 0.00 O ATOM 45 CG2 THR A 5 -4.485 2.942 -4.684 1.00 0.00 C ATOM 0 H THR A 5 -1.683 6.107 -3.956 1.00 0.00 H new ATOM 0 HA THR A 5 -4.387 5.494 -4.914 1.00 0.00 H new ATOM 0 HB THR A 5 -2.326 3.323 -4.534 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.210 3.206 -6.589 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.361 1.934 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.647 2.891 -3.607 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.344 3.415 -5.159 1.00 0.00 H new ATOM 48 N THR A 6 -3.370 3.972 -2.241 1.00 0.00 N ATOM 49 CA THR A 6 -3.788 3.751 -0.859 1.00 0.00 C ATOM 50 C THR A 6 -2.692 4.555 -0.156 1.00 0.00 C ATOM 51 O THR A 6 -2.344 5.605 -0.677 1.00 0.00 O ATOM 52 CB THR A 6 -3.868 2.249 -0.476 1.00 0.00 C ATOM 53 OG1 THR A 6 -4.477 1.363 -1.401 1.00 0.00 O ATOM 54 CG2 THR A 6 -4.141 1.803 0.957 1.00 0.00 C ATOM 0 H THR A 6 -2.743 3.266 -2.627 1.00 0.00 H new ATOM 0 HA THR A 6 -4.801 4.061 -0.603 1.00 0.00 H new ATOM 0 HB THR A 6 -2.785 2.151 -0.555 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.321 0.438 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.155 0.714 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.357 2.183 1.612 1.00 0.00 H new ATOM 0 HG23 THR A 6 -5.106 2.192 1.282 1.00 0.00 H new ATOM 57 N ALA A 7 -2.282 4.131 1.042 1.00 0.00 N ATOM 58 CA ALA A 7 -1.336 4.849 1.909 1.00 0.00 C ATOM 59 C ALA A 7 -1.998 5.202 3.219 1.00 0.00 C ATOM 60 O ALA A 7 -2.079 6.400 3.470 1.00 0.00 O ATOM 61 CB ALA A 7 -0.614 6.096 1.303 1.00 0.00 C ATOM 0 H ALA A 7 -2.606 3.254 1.450 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.523 4.137 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.053 6.528 2.049 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.035 5.793 0.431 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.356 6.838 1.007 1.00 0.00 H new ATOM 63 N THR A 8 -2.284 4.248 4.099 1.00 0.00 N ATOM 64 CA THR A 8 -3.058 4.556 5.335 1.00 0.00 C ATOM 65 C THR A 8 -4.512 4.694 4.902 1.00 0.00 C ATOM 66 O THR A 8 -5.025 5.816 4.817 1.00 0.00 O ATOM 67 CB THR A 8 -2.607 5.894 5.989 1.00 0.00 C ATOM 68 OG1 THR A 8 -1.247 5.791 6.368 1.00 0.00 O ATOM 69 CG2 THR A 8 -3.434 6.514 7.122 1.00 0.00 C ATOM 0 H THR A 8 -2.007 3.271 4.000 1.00 0.00 H new ATOM 0 HA THR A 8 -2.904 3.767 6.071 1.00 0.00 H new ATOM 0 HB THR A 8 -2.786 6.614 5.190 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.957 6.632 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.964 7.441 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.442 6.724 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.484 5.817 7.959 1.00 0.00 H new ATOM 72 N SER A 9 -5.112 3.556 4.533 1.00 0.00 N ATOM 73 CA SER A 9 -6.558 3.437 4.228 1.00 0.00 C ATOM 74 C SER A 9 -6.879 3.629 2.723 1.00 0.00 C ATOM 75 O SER A 9 -6.010 3.338 1.934 1.00 0.00 O ATOM 76 CB SER A 9 -7.332 4.435 5.095 1.00 0.00 C ATOM 77 OG SER A 9 -7.388 4.299 6.487 1.00 0.00 O ATOM 0 H SER A 9 -4.607 2.675 4.434 1.00 0.00 H new ATOM 0 HA SER A 9 -6.871 2.420 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.919 5.422 4.889 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.361 4.438 4.734 1.00 0.00 H new ATOM 0 HG SER A 9 -7.923 5.027 6.866 1.00 0.00 H new ATOM 80 N PRO A 10 -8.046 4.073 2.222 1.00 0.00 N ATOM 81 CA PRO A 10 -8.270 4.240 0.776 1.00 0.00 C ATOM 82 C PRO A 10 -7.420 5.354 0.164 1.00 0.00 C ATOM 83 O PRO A 10 -7.189 5.359 -1.043 1.00 0.00 O ATOM 84 CB PRO A 10 -9.769 4.543 0.679 1.00 0.00 C ATOM 85 CG PRO A 10 -10.080 5.301 1.962 1.00 0.00 C ATOM 86 CD PRO A 10 -9.316 4.401 2.901 1.00 0.00 C ATOM 0 HA PRO A 10 -7.976 3.355 0.212 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.998 5.141 -0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.356 3.628 0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.710 6.326 1.955 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.146 5.348 2.185 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.130 4.900 3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.884 3.497 3.121 1.00 0.00 H new ATOM 87 N ILE A 11 -7.063 6.344 0.990 1.00 0.00 N ATOM 88 CA ILE A 11 -6.313 7.529 0.527 1.00 0.00 C ATOM 89 C ILE A 11 -7.125 8.161 -0.585 1.00 0.00 C ATOM 90 O ILE A 11 -8.329 7.986 -0.647 1.00 0.00 O ATOM 91 CB ILE A 11 -4.874 7.102 0.173 1.00 0.00 C ATOM 92 CG1 ILE A 11 -4.286 6.644 1.491 1.00 0.00 C ATOM 93 CG2 ILE A 11 -3.880 8.090 -0.466 1.00 0.00 C ATOM 94 CD1 ILE A 11 -4.321 7.743 2.564 1.00 0.00 C ATOM 0 H ILE A 11 -7.280 6.353 1.987 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.184 8.301 1.285 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.992 6.378 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.837 5.774 1.848 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.255 6.326 1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.926 7.589 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.278 8.442 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.732 8.939 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.888 7.362 3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.747 8.604 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.353 8.043 2.744 1.00 0.00 H new ATOM 96 N SER A 12 -6.411 8.870 -1.447 1.00 0.00 N ATOM 97 CA SER A 12 -6.972 9.540 -2.608 1.00 0.00 C ATOM 98 C SER A 12 -5.858 10.067 -3.484 1.00 0.00 C ATOM 99 O SER A 12 -6.004 11.198 -3.958 1.00 0.00 O ATOM 100 CB SER A 12 -7.814 10.725 -2.125 1.00 0.00 C ATOM 101 OG SER A 12 -9.032 10.208 -1.619 1.00 0.00 O ATOM 0 H SER A 12 -5.403 8.997 -1.355 1.00 0.00 H new ATOM 0 HA SER A 12 -7.581 8.837 -3.177 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.284 11.281 -1.352 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.004 11.419 -2.944 1.00 0.00 H new ATOM 0 HG SER A 12 -8.977 9.231 -1.569 1.00 0.00 H new ATOM 104 N ALA A 13 -4.732 9.359 -3.539 1.00 0.00 N ATOM 105 CA ALA A 13 -3.584 9.772 -4.351 1.00 0.00 C ATOM 106 C ALA A 13 -2.475 10.292 -3.462 1.00 0.00 C ATOM 107 O ALA A 13 -1.347 10.075 -3.858 1.00 0.00 O ATOM 108 CB ALA A 13 -3.824 10.801 -5.472 1.00 0.00 C ATOM 0 H ALA A 13 -4.587 8.489 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.324 8.851 -4.873 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.884 11.007 -5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.545 10.401 -6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.213 11.724 -5.042 1.00 0.00 H new ATOM 110 N VAL A 14 -2.856 10.861 -2.309 1.00 0.00 N ATOM 111 CA VAL A 14 -1.992 11.413 -1.244 1.00 0.00 C ATOM 112 C VAL A 14 -0.580 11.382 -1.690 1.00 0.00 C ATOM 113 O VAL A 14 -0.199 12.484 -2.093 1.00 0.00 O ATOM 114 CB VAL A 14 -2.130 10.764 0.138 1.00 0.00 C ATOM 115 CG1 VAL A 14 -1.029 11.134 1.134 1.00 0.00 C ATOM 116 CG2 VAL A 14 -3.414 11.295 0.752 1.00 0.00 C ATOM 0 H VAL A 14 -3.844 10.956 -2.075 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.341 12.435 -1.094 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.092 9.687 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.211 10.628 2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.061 10.826 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.029 12.212 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.553 10.857 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.354 12.380 0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -4.258 11.029 0.116 1.00 0.00 H new ATOM 118 N THR A 15 -0.010 10.188 -1.605 1.00 0.00 N ATOM 119 CA THR A 15 1.293 9.839 -2.118 1.00 0.00 C ATOM 120 C THR A 15 2.166 9.527 -0.967 1.00 0.00 C ATOM 121 O THR A 15 3.357 9.659 -1.192 1.00 0.00 O ATOM 122 CB THR A 15 1.987 10.885 -2.983 1.00 0.00 C ATOM 123 OG1 THR A 15 2.198 11.962 -2.100 1.00 0.00 O ATOM 124 CG2 THR A 15 1.324 11.378 -4.257 1.00 0.00 C ATOM 0 H THR A 15 -0.474 9.401 -1.152 1.00 0.00 H new ATOM 0 HA THR A 15 1.124 8.994 -2.786 1.00 0.00 H new ATOM 0 HB THR A 15 2.870 10.405 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.470 12.611 -2.196 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.964 12.118 -4.738 1.00 0.00 H new ATOM 0 HG22 THR A 15 1.168 10.538 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.363 11.832 -4.015 1.00 0.00 H new ATOM 127 N CYS A 16 1.593 8.949 0.094 1.00 0.00 N ATOM 128 CA CYS A 16 2.283 8.629 1.341 1.00 0.00 C ATOM 129 C CYS A 16 2.450 9.839 2.263 1.00 0.00 C ATOM 130 O CYS A 16 1.604 10.730 2.172 1.00 0.00 O ATOM 131 CB CYS A 16 3.646 8.214 0.913 1.00 0.00 C ATOM 132 SG CYS A 16 3.868 6.604 0.286 1.00 0.00 S ATOM 0 H CYS A 16 0.608 8.685 0.106 1.00 0.00 H new ATOM 0 HA CYS A 16 1.716 7.880 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.981 8.916 0.149 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.312 8.331 1.768 1.00 0.00 H new ATOM 134 N PRO A 17 3.492 9.927 3.118 1.00 0.00 N ATOM 135 CA PRO A 17 3.663 11.036 4.031 1.00 0.00 C ATOM 136 C PRO A 17 4.186 12.276 3.257 1.00 0.00 C ATOM 137 O PRO A 17 3.744 12.472 2.125 1.00 0.00 O ATOM 138 CB PRO A 17 4.560 10.292 5.045 1.00 0.00 C ATOM 139 CG PRO A 17 5.643 9.647 4.220 1.00 0.00 C ATOM 140 CD PRO A 17 4.507 8.939 3.570 1.00 0.00 C ATOM 0 HA PRO A 17 2.819 11.511 4.531 1.00 0.00 H new ATOM 0 HB2 PRO A 17 4.981 10.981 5.777 1.00 0.00 H new ATOM 0 HB3 PRO A 17 3.991 9.546 5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.224 10.313 3.582 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.354 9.023 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.866 8.358 2.721 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.057 8.235 4.270 1.00 0.00 H new ATOM 141 N PRO A 18 4.979 13.163 3.891 1.00 0.00 N ATOM 142 CA PRO A 18 5.524 14.392 3.282 1.00 0.00 C ATOM 143 C PRO A 18 6.613 13.995 2.288 1.00 0.00 C ATOM 144 O PRO A 18 6.377 13.041 1.559 1.00 0.00 O ATOM 145 CB PRO A 18 6.054 15.177 4.490 1.00 0.00 C ATOM 146 CG PRO A 18 6.582 14.097 5.423 1.00 0.00 C ATOM 147 CD PRO A 18 5.431 13.133 5.298 1.00 0.00 C ATOM 0 HA PRO A 18 4.812 14.992 2.715 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.840 15.874 4.200 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.266 15.764 4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.530 13.674 5.091 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.731 14.451 6.443 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.741 12.127 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.619 13.416 5.968 1.00 0.00 H new ATOM 148 N GLY A 19 7.856 14.450 2.461 1.00 0.00 N ATOM 149 CA GLY A 19 9.000 14.090 1.604 1.00 0.00 C ATOM 150 C GLY A 19 8.788 14.539 0.155 1.00 0.00 C ATOM 151 O GLY A 19 9.504 15.359 -0.370 1.00 0.00 O ATOM 0 H GLY A 19 8.106 15.092 3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.907 14.548 1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.150 13.011 1.632 1.00 0.00 H new ATOM 153 N GLU A 20 7.731 13.946 -0.444 1.00 0.00 N ATOM 154 CA GLU A 20 7.230 14.286 -1.768 1.00 0.00 C ATOM 155 C GLU A 20 8.100 13.579 -2.790 1.00 0.00 C ATOM 156 O GLU A 20 8.988 14.223 -3.339 1.00 0.00 O ATOM 157 CB GLU A 20 7.110 15.798 -1.995 1.00 0.00 C ATOM 158 CG GLU A 20 6.035 16.145 -3.021 1.00 0.00 C ATOM 159 CD GLU A 20 6.359 15.571 -4.404 1.00 0.00 C ATOM 160 OE1 GLU A 20 7.055 16.236 -5.182 1.00 0.00 O ATOM 161 OE2 GLU A 20 5.871 14.496 -4.730 1.00 0.00 O ATOM 0 H GLU A 20 7.198 13.200 0.003 1.00 0.00 H new ATOM 0 HA GLU A 20 6.203 13.936 -1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.878 16.288 -1.049 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.070 16.190 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.073 15.759 -2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.936 17.228 -3.091 1.00 0.00 H new ATOM 163 N ASN A 21 7.922 12.262 -2.884 1.00 0.00 N ATOM 164 CA ASN A 21 8.630 11.362 -3.804 1.00 0.00 C ATOM 165 C ASN A 21 8.541 9.939 -3.244 1.00 0.00 C ATOM 166 O ASN A 21 8.649 9.712 -2.058 1.00 0.00 O ATOM 167 CB ASN A 21 10.103 11.732 -3.858 1.00 0.00 C ATOM 168 CG ASN A 21 10.807 11.018 -4.983 1.00 0.00 C ATOM 169 OD1 ASN A 21 11.042 9.759 -4.717 1.00 0.00 O flip ATOM 170 ND2 ASN A 21 11.136 11.559 -6.022 1.00 0.00 N flip ATOM 0 H ASN A 21 7.251 11.767 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 21 8.185 11.438 -4.796 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.205 12.809 -3.988 1.00 0.00 H new ATOM 0 HB3 ASN A 21 10.578 11.479 -2.910 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.925 12.546 -6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.623 11.026 -6.743 1.00 0.00 H new ATOM 174 N LEU A 22 8.561 8.975 -4.182 1.00 0.00 N ATOM 175 CA LEU A 22 8.525 7.547 -3.868 1.00 0.00 C ATOM 176 C LEU A 22 7.339 7.224 -2.959 1.00 0.00 C ATOM 177 O LEU A 22 6.635 8.070 -2.432 1.00 0.00 O ATOM 178 CB LEU A 22 9.873 7.162 -3.258 1.00 0.00 C ATOM 179 CG LEU A 22 10.196 5.720 -3.595 1.00 0.00 C ATOM 180 CD1 LEU A 22 11.664 5.488 -3.926 1.00 0.00 C ATOM 181 CD2 LEU A 22 9.697 4.756 -2.541 1.00 0.00 C ATOM 0 H LEU A 22 8.603 9.172 -5.182 1.00 0.00 H new ATOM 0 HA LEU A 22 8.374 6.953 -4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.656 7.818 -3.639 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.844 7.295 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 22 9.646 5.508 -4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.823 4.435 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.943 6.095 -4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.279 5.768 -3.071 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.953 3.737 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.163 4.990 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.615 4.846 -2.449 1.00 0.00 H new ATOM 183 N CYS A 23 7.025 5.944 -2.924 1.00 0.00 N ATOM 184 CA CYS A 23 5.986 5.445 -2.045 1.00 0.00 C ATOM 185 C CYS A 23 6.125 3.999 -1.683 1.00 0.00 C ATOM 186 O CYS A 23 5.979 3.159 -2.561 1.00 0.00 O ATOM 187 CB CYS A 23 4.646 5.746 -2.649 1.00 0.00 C ATOM 188 SG CYS A 23 3.119 5.017 -1.923 1.00 0.00 S ATOM 0 H CYS A 23 7.476 5.229 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 23 6.090 5.967 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.523 6.829 -2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 23 4.686 5.438 -3.694 1.00 0.00 H new ATOM 190 N TYR A 24 6.429 3.758 -0.410 1.00 0.00 N ATOM 191 CA TYR A 24 6.579 2.358 -0.001 1.00 0.00 C ATOM 192 C TYR A 24 5.263 1.614 -0.201 1.00 0.00 C ATOM 193 O TYR A 24 4.132 2.132 0.086 1.00 0.00 O ATOM 194 CB TYR A 24 7.214 2.312 1.403 1.00 0.00 C ATOM 195 CG TYR A 24 6.331 1.920 2.584 1.00 0.00 C ATOM 196 CD1 TYR A 24 4.991 2.169 2.507 1.00 0.00 C ATOM 197 CD2 TYR A 24 6.759 1.164 3.610 1.00 0.00 C ATOM 198 CE1 TYR A 24 4.000 1.609 3.275 1.00 0.00 C ATOM 199 CE2 TYR A 24 5.775 0.697 4.486 1.00 0.00 C ATOM 200 CZ TYR A 24 4.420 0.856 4.296 1.00 0.00 C ATOM 201 OH TYR A 24 3.519 0.403 5.191 1.00 0.00 O ATOM 0 H TYR A 24 6.569 4.460 0.317 1.00 0.00 H new ATOM 0 HA TYR A 24 7.276 1.807 -0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.050 1.614 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 24 7.630 3.297 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.676 2.884 1.761 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.804 0.931 3.750 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.952 1.766 3.068 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.100 0.175 5.374 1.00 0.00 H new ATOM 0 HH TYR A 24 3.649 0.862 6.047 1.00 0.00 H new ATOM 208 N ARG A 25 5.267 0.520 -0.866 1.00 0.00 N ATOM 209 CA ARG A 25 4.013 -0.242 -0.893 1.00 0.00 C ATOM 210 C ARG A 25 4.156 -1.535 -0.130 1.00 0.00 C ATOM 211 O ARG A 25 5.124 -2.262 -0.306 1.00 0.00 O ATOM 212 CB ARG A 25 3.397 -0.278 -2.287 1.00 0.00 C ATOM 213 CG ARG A 25 2.328 -1.373 -2.388 1.00 0.00 C ATOM 214 CD ARG A 25 1.879 -1.629 -3.820 1.00 0.00 C ATOM 215 NE ARG A 25 2.930 -2.259 -4.622 1.00 0.00 N ATOM 216 CZ ARG A 25 3.298 -3.536 -4.491 1.00 0.00 C ATOM 217 NH1 ARG A 25 2.779 -4.318 -3.557 1.00 0.00 N ATOM 218 NH2 ARG A 25 4.329 -3.992 -5.169 1.00 0.00 N ATOM 0 H ARG A 25 6.055 0.125 -1.379 1.00 0.00 H new ATOM 0 HA ARG A 25 3.233 0.276 -0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.953 0.691 -2.517 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.176 -0.456 -3.028 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.720 -2.298 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.465 -1.088 -1.787 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.996 -2.268 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.587 -0.686 -4.282 1.00 0.00 H new ATOM 0 HE ARG A 25 3.408 -1.690 -5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.079 -3.949 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.079 -5.290 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.845 -3.371 -5.792 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.613 -4.967 -5.071 1.00 0.00 H new ATOM 225 N LYS A 26 3.351 -1.650 0.909 1.00 0.00 N ATOM 226 CA LYS A 26 3.375 -2.883 1.692 1.00 0.00 C ATOM 227 C LYS A 26 1.948 -3.331 1.944 1.00 0.00 C ATOM 228 O LYS A 26 1.108 -2.447 2.013 1.00 0.00 O ATOM 229 CB LYS A 26 4.105 -2.620 3.000 1.00 0.00 C ATOM 230 CG LYS A 26 4.264 -3.993 3.637 1.00 0.00 C ATOM 231 CD LYS A 26 5.006 -3.939 4.934 1.00 0.00 C ATOM 232 CE LYS A 26 5.322 -5.180 5.749 1.00 0.00 C ATOM 233 NZ LYS A 26 5.848 -4.776 7.068 1.00 0.00 N ATOM 0 H LYS A 26 2.694 -0.938 1.227 1.00 0.00 H new ATOM 0 HA LYS A 26 3.898 -3.674 1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.073 -2.150 2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.536 -1.949 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.279 -4.429 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.792 -4.651 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.959 -3.452 4.727 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.442 -3.273 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.425 -5.786 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.053 -5.796 5.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.874 -5.602 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.809 -4.395 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.232 -4.046 7.479 1.00 0.00 H new ATOM 238 N MET A 27 1.757 -4.605 2.268 1.00 0.00 N ATOM 239 CA MET A 27 0.477 -5.276 2.557 1.00 0.00 C ATOM 240 C MET A 27 -0.332 -5.464 1.300 1.00 0.00 C ATOM 241 O MET A 27 0.088 -4.982 0.252 1.00 0.00 O ATOM 242 CB MET A 27 -0.346 -4.484 3.546 1.00 0.00 C ATOM 243 CG MET A 27 0.462 -4.484 4.816 1.00 0.00 C ATOM 244 SD MET A 27 0.283 -5.963 5.843 1.00 0.00 S ATOM 245 CE MET A 27 -1.470 -5.818 6.117 1.00 0.00 C ATOM 0 H MET A 27 2.544 -5.250 2.343 1.00 0.00 H new ATOM 0 HA MET A 27 0.720 -6.249 2.985 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.521 -3.469 3.190 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.324 -4.941 3.701 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.514 -4.365 4.558 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.179 -3.614 5.408 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.726 -6.264 7.078 1.00 0.00 H new ATOM 0 HE2 MET A 27 -1.752 -4.765 6.119 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.007 -6.336 5.322 1.00 0.00 H new ATOM 247 N TRP A 28 -1.408 -6.232 1.457 1.00 0.00 N ATOM 248 CA TRP A 28 -2.295 -6.631 0.344 1.00 0.00 C ATOM 249 C TRP A 28 -3.172 -7.824 0.700 1.00 0.00 C ATOM 250 O TRP A 28 -4.379 -7.837 0.522 1.00 0.00 O ATOM 251 CB TRP A 28 -1.481 -6.944 -0.916 1.00 0.00 C ATOM 252 CG TRP A 28 -2.297 -7.305 -2.133 1.00 0.00 C ATOM 253 CD1 TRP A 28 -2.942 -6.501 -2.964 1.00 0.00 C ATOM 254 CD2 TRP A 28 -2.464 -8.606 -2.551 1.00 0.00 C ATOM 255 NE1 TRP A 28 -3.503 -7.247 -3.911 1.00 0.00 N ATOM 256 CE2 TRP A 28 -3.245 -8.530 -3.692 1.00 0.00 C ATOM 257 CE3 TRP A 28 -2.046 -9.816 -2.045 1.00 0.00 C ATOM 258 CZ2 TRP A 28 -3.620 -9.697 -4.335 1.00 0.00 C ATOM 259 CZ3 TRP A 28 -2.377 -10.980 -2.716 1.00 0.00 C ATOM 260 CH2 TRP A 28 -3.167 -10.917 -3.866 1.00 0.00 C ATOM 0 H TRP A 28 -1.699 -6.602 2.362 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.951 -5.783 0.150 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.864 -6.078 -1.155 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.802 -7.768 -0.696 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.002 -5.425 -2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.051 -6.886 -4.692 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.466 -9.856 -1.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.265 -9.655 -5.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.026 -11.934 -2.352 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.425 -11.825 -4.391 1.00 0.00 H new ATOM 268 N CYS A 29 -2.536 -8.729 1.414 1.00 0.00 N ATOM 269 CA CYS A 29 -3.146 -9.993 1.784 1.00 0.00 C ATOM 270 C CYS A 29 -3.111 -10.045 3.305 1.00 0.00 C ATOM 271 O CYS A 29 -2.443 -10.933 3.822 1.00 0.00 O ATOM 272 CB CYS A 29 -2.380 -11.165 1.147 1.00 0.00 C ATOM 273 SG CYS A 29 -3.280 -12.682 1.569 1.00 0.00 S ATOM 0 H CYS A 29 -1.582 -8.611 1.755 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.172 -10.074 1.424 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -2.318 -11.042 0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.358 -11.207 1.523 1.00 0.00 H new ATOM 275 N ASP A 30 -3.686 -9.023 3.949 1.00 0.00 N ATOM 276 CA ASP A 30 -3.823 -8.925 5.423 1.00 0.00 C ATOM 277 C ASP A 30 -2.792 -9.768 6.184 1.00 0.00 C ATOM 278 O ASP A 30 -1.662 -9.337 6.424 1.00 0.00 O ATOM 279 CB ASP A 30 -5.244 -9.359 5.818 1.00 0.00 C ATOM 280 CG ASP A 30 -6.235 -8.272 5.494 1.00 0.00 C ATOM 281 OD1 ASP A 30 -5.953 -7.221 6.055 1.00 0.00 O ATOM 282 OD2 ASP A 30 -7.201 -8.518 4.733 1.00 0.00 O ATOM 0 H ASP A 30 -4.080 -8.220 3.458 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.638 -7.887 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.512 -10.273 5.289 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.279 -9.586 6.884 1.00 0.00 H new ATOM 284 N ALA A 31 -3.158 -11.037 6.321 1.00 0.00 N ATOM 285 CA ALA A 31 -2.296 -12.126 6.798 1.00 0.00 C ATOM 286 C ALA A 31 -3.017 -13.476 6.753 1.00 0.00 C ATOM 287 O ALA A 31 -2.481 -14.500 7.163 1.00 0.00 O ATOM 288 CB ALA A 31 -1.965 -11.835 8.255 1.00 0.00 C ATOM 0 H ALA A 31 -4.101 -11.354 6.095 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.411 -12.180 6.163 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.324 -12.624 8.647 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.448 -10.878 8.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.886 -11.794 8.836 1.00 0.00 H new ATOM 290 N PHE A 32 -4.280 -13.428 6.343 1.00 0.00 N ATOM 291 CA PHE A 32 -5.118 -14.620 6.307 1.00 0.00 C ATOM 292 C PHE A 32 -5.325 -15.135 4.898 1.00 0.00 C ATOM 293 O PHE A 32 -5.921 -16.202 4.775 1.00 0.00 O ATOM 294 CB PHE A 32 -6.455 -14.334 6.988 1.00 0.00 C ATOM 295 CG PHE A 32 -6.219 -14.246 8.491 1.00 0.00 C ATOM 296 CD1 PHE A 32 -6.056 -15.415 9.224 1.00 0.00 C ATOM 297 CD2 PHE A 32 -6.158 -13.007 9.108 1.00 0.00 C ATOM 298 CE1 PHE A 32 -5.827 -15.342 10.590 1.00 0.00 C ATOM 299 CE2 PHE A 32 -5.936 -12.935 10.478 1.00 0.00 C ATOM 300 CZ PHE A 32 -5.770 -14.101 11.215 1.00 0.00 C ATOM 0 H PHE A 32 -4.746 -12.576 6.031 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.600 -15.409 6.852 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.879 -13.402 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.172 -15.123 6.762 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.107 -16.375 8.733 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.282 -12.104 8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.693 -16.246 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.893 -11.974 10.969 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.596 -14.043 12.279 1.00 0.00 H new ATOM 307 N CYS A 33 -4.949 -14.320 3.897 1.00 0.00 N ATOM 308 CA CYS A 33 -5.115 -14.668 2.470 1.00 0.00 C ATOM 309 C CYS A 33 -6.433 -15.400 2.229 1.00 0.00 C ATOM 310 O CYS A 33 -6.480 -16.447 1.588 1.00 0.00 O ATOM 311 CB CYS A 33 -3.891 -15.450 1.929 1.00 0.00 C ATOM 312 SG CYS A 33 -2.346 -14.480 1.721 1.00 0.00 S ATOM 0 H CYS A 33 -4.523 -13.406 4.050 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.163 -13.739 1.901 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.687 -16.280 2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.158 -15.882 0.965 1.00 0.00 H new ATOM 314 N SER A 34 -7.449 -14.946 2.967 1.00 0.00 N ATOM 315 CA SER A 34 -8.732 -15.653 3.012 1.00 0.00 C ATOM 316 C SER A 34 -9.638 -15.112 1.919 1.00 0.00 C ATOM 317 O SER A 34 -10.854 -15.119 2.104 1.00 0.00 O ATOM 318 CB SER A 34 -9.417 -15.479 4.375 1.00 0.00 C ATOM 319 OG SER A 34 -8.741 -16.240 5.370 1.00 0.00 O ATOM 0 H SER A 34 -7.410 -14.101 3.536 1.00 0.00 H new ATOM 0 HA SER A 34 -8.545 -16.716 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 34 -9.422 -14.426 4.655 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.458 -15.797 4.310 1.00 0.00 H new ATOM 0 HG SER A 34 -7.794 -16.321 5.132 1.00 0.00 H new ATOM 322 N SER A 35 -9.006 -14.648 0.834 1.00 0.00 N ATOM 323 CA SER A 35 -9.641 -14.002 -0.333 1.00 0.00 C ATOM 324 C SER A 35 -9.639 -12.483 -0.160 1.00 0.00 C ATOM 325 O SER A 35 -9.042 -11.938 0.775 1.00 0.00 O ATOM 326 CB SER A 35 -11.073 -14.493 -0.613 1.00 0.00 C ATOM 327 OG SER A 35 -11.045 -15.905 -0.801 1.00 0.00 O ATOM 0 H SER A 35 -7.993 -14.713 0.736 1.00 0.00 H new ATOM 0 HA SER A 35 -9.042 -14.287 -1.198 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.730 -14.236 0.218 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.474 -14.002 -1.500 1.00 0.00 H new ATOM 0 HG SER A 35 -11.953 -16.229 -0.978 1.00 0.00 H new ATOM 330 N ARG A 36 -10.358 -11.823 -1.069 1.00 0.00 N ATOM 331 CA ARG A 36 -10.455 -10.357 -1.098 1.00 0.00 C ATOM 332 C ARG A 36 -9.036 -9.745 -1.232 1.00 0.00 C ATOM 333 O ARG A 36 -8.226 -10.212 -2.026 1.00 0.00 O ATOM 334 CB ARG A 36 -11.245 -9.982 0.169 1.00 0.00 C ATOM 335 CG ARG A 36 -11.364 -8.475 0.258 1.00 0.00 C ATOM 336 CD ARG A 36 -11.879 -7.978 1.578 1.00 0.00 C ATOM 337 NE ARG A 36 -10.855 -7.959 2.589 1.00 0.00 N ATOM 338 CZ ARG A 36 -11.115 -7.512 3.795 1.00 0.00 C ATOM 339 NH1 ARG A 36 -12.301 -7.008 4.148 1.00 0.00 N ATOM 340 NH2 ARG A 36 -10.145 -7.600 4.673 1.00 0.00 N ATOM 0 H ARG A 36 -10.890 -12.286 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.986 -9.948 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.236 -10.435 0.141 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.741 -10.371 1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.385 -8.032 0.072 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.027 -8.126 -0.533 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.283 -6.973 1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.701 -8.613 1.908 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.918 -8.296 2.366 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.057 -6.957 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.450 -6.674 5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.247 -8.000 4.402 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.289 -7.268 5.627 1.00 0.00 H new ATOM 347 N GLY A 37 -8.708 -8.796 -0.342 1.00 0.00 N ATOM 348 CA GLY A 37 -7.467 -8.041 -0.262 1.00 0.00 C ATOM 349 C GLY A 37 -7.777 -6.569 -0.502 1.00 0.00 C ATOM 350 O GLY A 37 -7.819 -6.228 -1.668 1.00 0.00 O ATOM 0 H GLY A 37 -9.360 -8.522 0.393 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.005 -8.176 0.716 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.755 -8.403 -1.004 1.00 0.00 H new ATOM 352 N LYS A 38 -8.133 -5.901 0.607 1.00 0.00 N ATOM 353 CA LYS A 38 -8.415 -4.457 0.734 1.00 0.00 C ATOM 354 C LYS A 38 -7.669 -3.754 1.882 1.00 0.00 C ATOM 355 O LYS A 38 -7.831 -2.574 2.210 1.00 0.00 O ATOM 356 CB LYS A 38 -9.943 -4.263 0.775 1.00 0.00 C ATOM 357 CG LYS A 38 -10.296 -2.786 0.922 1.00 0.00 C ATOM 358 CD LYS A 38 -11.633 -2.352 0.410 1.00 0.00 C ATOM 359 CE LYS A 38 -11.475 -0.841 0.379 1.00 0.00 C ATOM 360 NZ LYS A 38 -12.832 -0.371 0.320 1.00 0.00 N ATOM 0 H LYS A 38 -8.239 -6.385 1.499 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.011 -3.952 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.389 -4.660 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.364 -4.827 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.238 -2.528 1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.531 -2.202 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.846 -2.762 -0.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.444 -2.665 1.067 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.959 -0.472 1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.897 -0.514 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.901 0.404 -0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.457 -1.150 0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.121 -0.026 1.258 1.00 0.00 H new ATOM 365 N VAL A 39 -6.808 -4.525 2.516 1.00 0.00 N ATOM 366 CA VAL A 39 -6.072 -4.026 3.680 1.00 0.00 C ATOM 367 C VAL A 39 -4.578 -4.062 3.373 1.00 0.00 C ATOM 368 O VAL A 39 -3.836 -4.982 3.732 1.00 0.00 O ATOM 369 CB VAL A 39 -6.447 -4.824 4.929 1.00 0.00 C ATOM 370 CG1 VAL A 39 -5.612 -4.384 6.140 1.00 0.00 C ATOM 371 CG2 VAL A 39 -7.936 -4.735 5.284 1.00 0.00 C ATOM 0 H VAL A 39 -6.597 -5.488 2.256 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.342 -2.991 3.889 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.229 -5.864 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.901 -4.969 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.554 -4.544 5.930 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.787 -3.326 6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.132 -5.324 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.205 -3.695 5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.531 -5.123 4.457 1.00 0.00 H new ATOM 373 N VAL A 40 -4.190 -2.991 2.708 1.00 0.00 N ATOM 374 CA VAL A 40 -2.779 -2.786 2.370 1.00 0.00 C ATOM 375 C VAL A 40 -2.243 -1.693 3.326 1.00 0.00 C ATOM 376 O VAL A 40 -2.870 -1.306 4.296 1.00 0.00 O ATOM 377 CB VAL A 40 -2.635 -2.497 0.862 1.00 0.00 C ATOM 378 CG1 VAL A 40 -1.206 -2.541 0.364 1.00 0.00 C ATOM 379 CG2 VAL A 40 -3.183 -3.595 -0.026 1.00 0.00 C ATOM 0 H VAL A 40 -4.817 -2.252 2.390 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.163 -3.673 2.522 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.136 -1.531 0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.186 -2.328 -0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.613 -1.795 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.788 -3.532 0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.046 -3.320 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.653 -4.526 0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.245 -3.731 0.177 1.00 0.00 H new ATOM 381 N GLU A 41 -0.984 -1.330 3.089 1.00 0.00 N ATOM 382 CA GLU A 41 -0.244 -0.299 3.822 1.00 0.00 C ATOM 383 C GLU A 41 0.359 0.759 2.946 1.00 0.00 C ATOM 384 O GLU A 41 0.021 1.913 3.237 1.00 0.00 O ATOM 385 CB GLU A 41 0.948 -0.840 4.566 1.00 0.00 C ATOM 386 CG GLU A 41 0.477 -1.604 5.772 1.00 0.00 C ATOM 387 CD GLU A 41 -0.242 -0.820 6.829 1.00 0.00 C ATOM 388 OE1 GLU A 41 -1.472 -0.643 6.697 1.00 0.00 O ATOM 389 OE2 GLU A 41 0.504 -0.516 7.775 1.00 0.00 O ATOM 0 H GLU A 41 -0.427 -1.762 2.352 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.014 0.101 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.533 -1.490 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.602 -0.023 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.183 -2.402 5.432 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.343 -2.081 6.232 1.00 0.00 H new ATOM 391 N LEU A 42 1.061 0.354 1.888 1.00 0.00 N ATOM 392 CA LEU A 42 1.506 1.244 0.798 1.00 0.00 C ATOM 393 C LEU A 42 1.193 2.731 0.987 1.00 0.00 C ATOM 394 O LEU A 42 0.288 3.325 0.487 1.00 0.00 O ATOM 395 CB LEU A 42 0.887 0.724 -0.480 1.00 0.00 C ATOM 396 CG LEU A 42 -0.592 0.559 -0.742 1.00 0.00 C ATOM 397 CD1 LEU A 42 -1.390 0.536 0.509 1.00 0.00 C ATOM 398 CD2 LEU A 42 -1.070 1.841 -1.259 1.00 0.00 C ATOM 0 H LEU A 42 1.345 -0.617 1.755 1.00 0.00 H new ATOM 0 HA LEU A 42 2.595 1.215 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.257 1.374 -1.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.327 -0.260 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.697 -0.337 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.446 0.416 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.064 -0.296 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.247 1.472 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.138 1.775 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.891 2.621 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.537 2.084 -2.178 1.00 0.00 H new ATOM 400 N GLY A 43 1.969 3.263 1.890 1.00 0.00 N ATOM 401 CA GLY A 43 1.653 4.455 2.676 1.00 0.00 C ATOM 402 C GLY A 43 2.790 5.414 2.761 1.00 0.00 C ATOM 403 O GLY A 43 2.677 6.507 3.303 1.00 0.00 O ATOM 0 H GLY A 43 2.882 2.871 2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.793 4.958 2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.363 4.154 3.683 1.00 0.00 H new ATOM 405 N CYS A 44 3.913 4.837 2.359 1.00 0.00 N ATOM 406 CA CYS A 44 5.285 5.240 2.627 1.00 0.00 C ATOM 407 C CYS A 44 5.353 5.450 4.121 1.00 0.00 C ATOM 408 O CYS A 44 4.411 5.270 4.891 1.00 0.00 O ATOM 409 CB CYS A 44 5.870 6.540 2.044 1.00 0.00 C ATOM 410 SG CYS A 44 5.828 7.042 0.338 1.00 0.00 S ATOM 0 H CYS A 44 3.883 3.996 1.783 1.00 0.00 H new ATOM 0 HA CYS A 44 5.865 4.450 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.395 7.349 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 44 6.924 6.538 2.323 1.00 0.00 H new ATOM 412 N ALA A 45 6.546 5.824 4.507 1.00 0.00 N ATOM 413 CA ALA A 45 6.827 6.007 5.915 1.00 0.00 C ATOM 414 C ALA A 45 8.103 6.818 6.075 1.00 0.00 C ATOM 415 O ALA A 45 8.802 6.579 7.052 1.00 0.00 O ATOM 416 CB ALA A 45 6.947 4.603 6.537 1.00 0.00 C ATOM 0 H ALA A 45 7.330 6.006 3.880 1.00 0.00 H new ATOM 0 HA ALA A 45 6.036 6.559 6.422 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.159 4.694 7.602 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.011 4.062 6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.756 4.058 6.051 1.00 0.00 H new ATOM 418 N ALA A 46 8.364 7.747 5.136 1.00 0.00 N ATOM 419 CA ALA A 46 9.564 8.620 5.059 1.00 0.00 C ATOM 420 C ALA A 46 10.242 8.492 3.691 1.00 0.00 C ATOM 421 O ALA A 46 10.034 9.325 2.815 1.00 0.00 O ATOM 422 CB ALA A 46 10.645 8.469 6.156 1.00 0.00 C ATOM 0 H ALA A 46 7.715 7.922 4.369 1.00 0.00 H new ATOM 0 HA ALA A 46 9.135 9.608 5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.457 9.171 5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.205 8.678 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.035 7.451 6.145 1.00 0.00 H new ATOM 424 N THR A 47 11.049 7.448 3.532 1.00 0.00 N ATOM 425 CA THR A 47 11.807 7.204 2.284 1.00 0.00 C ATOM 426 C THR A 47 11.749 5.727 1.904 1.00 0.00 C ATOM 427 O THR A 47 12.778 5.118 1.655 1.00 0.00 O ATOM 428 CB THR A 47 13.261 7.726 2.440 1.00 0.00 C ATOM 429 OG1 THR A 47 13.205 9.140 2.605 1.00 0.00 O ATOM 430 CG2 THR A 47 14.221 7.463 1.269 1.00 0.00 C ATOM 0 H THR A 47 11.204 6.744 4.253 1.00 0.00 H new ATOM 0 HA THR A 47 11.350 7.756 1.463 1.00 0.00 H new ATOM 0 HB THR A 47 13.661 7.173 3.290 1.00 0.00 H new ATOM 0 HG1 THR A 47 14.113 9.494 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 47 15.202 7.877 1.503 1.00 0.00 H new ATOM 0 HG22 THR A 47 14.310 6.389 1.105 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.833 7.937 0.367 1.00 0.00 H new ATOM 433 N CYS A 48 10.576 5.084 2.019 1.00 0.00 N ATOM 434 CA CYS A 48 10.432 3.646 1.687 1.00 0.00 C ATOM 435 C CYS A 48 11.634 2.870 2.253 1.00 0.00 C ATOM 436 O CYS A 48 12.606 2.590 1.546 1.00 0.00 O ATOM 437 CB CYS A 48 10.419 3.333 0.180 1.00 0.00 C ATOM 438 SG CYS A 48 9.800 1.677 -0.329 1.00 0.00 S ATOM 0 H CYS A 48 9.715 5.529 2.337 1.00 0.00 H new ATOM 0 HA CYS A 48 9.472 3.357 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.810 4.089 -0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.436 3.444 -0.197 1.00 0.00 H new ATOM 440 N PRO A 49 11.611 2.643 3.564 1.00 0.00 N ATOM 441 CA PRO A 49 12.722 1.954 4.234 1.00 0.00 C ATOM 442 C PRO A 49 12.823 0.488 3.798 1.00 0.00 C ATOM 443 O PRO A 49 13.555 -0.277 4.424 1.00 0.00 O ATOM 444 CB PRO A 49 12.394 2.110 5.719 1.00 0.00 C ATOM 445 CG PRO A 49 10.866 2.160 5.766 1.00 0.00 C ATOM 446 CD PRO A 49 10.475 2.875 4.476 1.00 0.00 C ATOM 0 HA PRO A 49 13.698 2.370 3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.783 1.275 6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 49 12.834 3.018 6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.436 1.159 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.512 2.700 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.548 2.474 4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.314 3.940 4.646 1.00 0.00 H new ATOM 447 N SER A 50 12.056 0.112 2.764 1.00 0.00 N ATOM 448 CA SER A 50 11.944 -1.250 2.215 1.00 0.00 C ATOM 449 C SER A 50 11.158 -2.164 3.138 1.00 0.00 C ATOM 450 O SER A 50 10.171 -2.741 2.690 1.00 0.00 O ATOM 451 CB SER A 50 13.299 -1.914 1.959 1.00 0.00 C ATOM 452 OG SER A 50 14.009 -1.151 0.989 1.00 0.00 O ATOM 0 H SER A 50 11.469 0.779 2.264 1.00 0.00 H new ATOM 0 HA SER A 50 11.426 -1.120 1.265 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.871 -1.973 2.885 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.158 -2.935 1.606 1.00 0.00 H new ATOM 0 HG SER A 50 14.880 -1.567 0.819 1.00 0.00 H new ATOM 455 N LYS A 51 11.489 -2.098 4.434 1.00 0.00 N ATOM 456 CA LYS A 51 10.903 -2.910 5.508 1.00 0.00 C ATOM 457 C LYS A 51 11.340 -4.366 5.337 1.00 0.00 C ATOM 458 O LYS A 51 12.526 -4.646 5.190 1.00 0.00 O ATOM 459 CB LYS A 51 9.384 -2.791 5.488 1.00 0.00 C ATOM 460 CG LYS A 51 8.932 -1.357 5.550 1.00 0.00 C ATOM 461 CD LYS A 51 7.462 -1.557 5.335 1.00 0.00 C ATOM 462 CE LYS A 51 6.723 -1.759 6.659 1.00 0.00 C ATOM 463 NZ LYS A 51 5.271 -1.620 6.442 1.00 0.00 N ATOM 0 H LYS A 51 12.200 -1.452 4.776 1.00 0.00 H new ATOM 0 HA LYS A 51 11.255 -2.548 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 51 8.996 -3.255 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.966 -3.340 6.332 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.156 -0.887 6.508 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.389 -0.739 4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.049 -0.693 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.302 -2.423 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.947 -2.745 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.063 -1.027 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.782 -2.457 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.927 -0.769 6.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.079 -1.535 5.423 1.00 0.00 H new ATOM 468 N LYS A 52 10.381 -5.265 5.481 1.00 0.00 N ATOM 469 CA LYS A 52 10.600 -6.697 5.405 1.00 0.00 C ATOM 470 C LYS A 52 9.789 -7.321 4.261 1.00 0.00 C ATOM 471 O LYS A 52 9.008 -6.618 3.622 1.00 0.00 O ATOM 472 CB LYS A 52 10.193 -7.216 6.779 1.00 0.00 C ATOM 473 CG LYS A 52 11.314 -6.918 7.764 1.00 0.00 C ATOM 474 CD LYS A 52 11.009 -7.656 9.054 1.00 0.00 C ATOM 475 CE LYS A 52 11.980 -7.182 10.125 1.00 0.00 C ATOM 476 NZ LYS A 52 11.728 -7.925 11.361 1.00 0.00 N ATOM 0 H LYS A 52 9.409 -5.013 5.658 1.00 0.00 H new ATOM 0 HA LYS A 52 11.633 -6.959 5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.268 -6.740 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.002 -8.288 6.737 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.274 -7.239 7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.387 -5.846 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.981 -7.467 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.104 -8.732 8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.008 -7.336 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.858 -6.113 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.388 -7.606 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.751 -7.756 11.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.865 -8.941 11.189 1.00 0.00 H new ATOM 481 N PRO A 53 10.004 -8.617 4.018 1.00 0.00 N ATOM 482 CA PRO A 53 9.269 -9.364 2.991 1.00 0.00 C ATOM 483 C PRO A 53 7.815 -9.522 3.432 1.00 0.00 C ATOM 484 O PRO A 53 6.966 -8.765 2.969 1.00 0.00 O ATOM 485 CB PRO A 53 10.050 -10.676 2.852 1.00 0.00 C ATOM 486 CG PRO A 53 10.642 -10.918 4.239 1.00 0.00 C ATOM 487 CD PRO A 53 10.983 -9.506 4.688 1.00 0.00 C ATOM 0 HA PRO A 53 9.206 -8.876 2.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.398 -11.496 2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.831 -10.595 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.929 -11.398 4.909 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.524 -11.558 4.200 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.915 -9.414 5.772 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.003 -9.243 4.409 1.00 0.00 H new ATOM 488 N TYR A 54 7.599 -10.378 4.443 1.00 0.00 N ATOM 489 CA TYR A 54 6.280 -10.766 4.976 1.00 0.00 C ATOM 490 C TYR A 54 5.256 -10.830 3.833 1.00 0.00 C ATOM 491 O TYR A 54 5.662 -10.969 2.687 1.00 0.00 O ATOM 492 CB TYR A 54 5.923 -9.772 6.094 1.00 0.00 C ATOM 493 CG TYR A 54 4.559 -10.057 6.733 1.00 0.00 C ATOM 494 CD1 TYR A 54 4.386 -11.211 7.481 1.00 0.00 C ATOM 495 CD2 TYR A 54 3.469 -9.258 6.403 1.00 0.00 C ATOM 496 CE1 TYR A 54 3.120 -11.572 7.911 1.00 0.00 C ATOM 497 CE2 TYR A 54 2.197 -9.626 6.824 1.00 0.00 C ATOM 498 CZ TYR A 54 2.038 -10.779 7.569 1.00 0.00 C ATOM 499 OH TYR A 54 0.827 -11.076 8.062 1.00 0.00 O ATOM 0 H TYR A 54 8.367 -10.838 4.932 1.00 0.00 H new ATOM 0 HA TYR A 54 6.285 -11.765 5.412 1.00 0.00 H new ATOM 0 HB2 TYR A 54 6.694 -9.807 6.864 1.00 0.00 H new ATOM 0 HB3 TYR A 54 5.924 -8.761 5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.237 -11.828 7.728 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.611 -8.358 5.823 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.978 -12.462 8.506 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.341 -9.017 6.572 1.00 0.00 H new ATOM 0 HH TYR A 54 0.571 -10.403 8.727 1.00 0.00 H new ATOM 506 N GLU A 55 3.973 -10.725 4.155 1.00 0.00 N ATOM 507 CA GLU A 55 2.850 -10.644 3.226 1.00 0.00 C ATOM 508 C GLU A 55 3.278 -10.084 1.852 1.00 0.00 C ATOM 509 O GLU A 55 3.822 -10.799 1.023 1.00 0.00 O ATOM 510 CB GLU A 55 1.763 -9.764 3.856 1.00 0.00 C ATOM 511 CG GLU A 55 0.386 -10.240 3.463 1.00 0.00 C ATOM 512 CD GLU A 55 0.317 -10.151 1.953 1.00 0.00 C ATOM 513 OE1 GLU A 55 0.027 -9.015 1.531 1.00 0.00 O ATOM 514 OE2 GLU A 55 0.633 -11.154 1.279 1.00 0.00 O ATOM 0 H GLU A 55 3.669 -10.692 5.128 1.00 0.00 H new ATOM 0 HA GLU A 55 2.465 -11.648 3.047 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.861 -9.780 4.941 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.898 -8.730 3.539 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.218 -11.263 3.800 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.385 -9.622 3.924 1.00 0.00 H new ATOM 516 N GLU A 56 2.954 -8.829 1.600 1.00 0.00 N ATOM 517 CA GLU A 56 3.286 -8.181 0.333 1.00 0.00 C ATOM 518 C GLU A 56 4.007 -6.895 0.655 1.00 0.00 C ATOM 519 O GLU A 56 3.701 -6.265 1.663 1.00 0.00 O ATOM 520 CB GLU A 56 2.022 -7.890 -0.470 1.00 0.00 C ATOM 521 CG GLU A 56 1.412 -9.183 -1.017 1.00 0.00 C ATOM 522 CD GLU A 56 2.295 -9.832 -2.070 1.00 0.00 C ATOM 523 OE1 GLU A 56 3.200 -10.603 -1.690 1.00 0.00 O ATOM 524 OE2 GLU A 56 2.060 -9.474 -3.240 1.00 0.00 O ATOM 0 H GLU A 56 2.457 -8.229 2.259 1.00 0.00 H new ATOM 0 HA GLU A 56 3.916 -8.834 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.295 -7.379 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.257 -7.217 -1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.252 -9.883 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.434 -8.968 -1.447 1.00 0.00 H new ATOM 526 N VAL A 57 4.912 -6.540 -0.237 1.00 0.00 N ATOM 527 CA VAL A 57 5.774 -5.344 -0.111 1.00 0.00 C ATOM 528 C VAL A 57 6.236 -4.993 -1.530 1.00 0.00 C ATOM 529 O VAL A 57 5.894 -5.666 -2.503 1.00 0.00 O ATOM 530 CB VAL A 57 6.992 -5.631 0.809 1.00 0.00 C ATOM 531 CG1 VAL A 57 8.043 -4.525 0.961 1.00 0.00 C ATOM 532 CG2 VAL A 57 6.566 -5.830 2.248 1.00 0.00 C ATOM 0 H VAL A 57 5.084 -7.073 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 57 5.229 -4.516 0.342 1.00 0.00 H new ATOM 0 HB VAL A 57 7.416 -6.496 0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.834 -4.864 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.469 -4.291 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.574 -3.632 1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.444 -6.029 2.863 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.067 -4.930 2.608 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.880 -6.675 2.311 1.00 0.00 H new ATOM 534 N THR A 58 6.977 -3.887 -1.604 1.00 0.00 N ATOM 535 CA THR A 58 7.662 -3.363 -2.795 1.00 0.00 C ATOM 536 C THR A 58 8.324 -2.007 -2.475 1.00 0.00 C ATOM 537 O THR A 58 8.295 -1.603 -1.307 1.00 0.00 O ATOM 538 CB THR A 58 6.577 -3.168 -3.846 1.00 0.00 C ATOM 539 OG1 THR A 58 7.036 -2.774 -5.141 1.00 0.00 O ATOM 540 CG2 THR A 58 5.649 -2.088 -3.336 1.00 0.00 C ATOM 0 H THR A 58 7.127 -3.295 -0.787 1.00 0.00 H new ATOM 0 HA THR A 58 8.443 -4.042 -3.137 1.00 0.00 H new ATOM 0 HB THR A 58 6.103 -4.140 -3.983 1.00 0.00 H new ATOM 0 HG1 THR A 58 6.424 -2.107 -5.516 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.855 -1.918 -4.063 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.212 -2.402 -2.388 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.210 -1.165 -3.189 1.00 0.00 H new ATOM 543 N CYS A 59 8.392 -1.172 -3.512 1.00 0.00 N ATOM 544 CA CYS A 59 8.920 0.186 -3.513 1.00 0.00 C ATOM 545 C CYS A 59 8.885 0.721 -4.948 1.00 0.00 C ATOM 546 O CYS A 59 9.500 0.171 -5.862 1.00 0.00 O ATOM 547 CB CYS A 59 10.368 0.173 -2.997 1.00 0.00 C ATOM 548 SG CYS A 59 10.656 0.022 -1.191 1.00 0.00 S ATOM 0 H CYS A 59 8.056 -1.449 -4.435 1.00 0.00 H new ATOM 0 HA CYS A 59 8.319 0.824 -2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.886 -0.653 -3.485 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.847 1.093 -3.333 1.00 0.00 H new ATOM 550 N CYS A 60 8.066 1.740 -5.134 1.00 0.00 N ATOM 551 CA CYS A 60 7.976 2.410 -6.445 1.00 0.00 C ATOM 552 C CYS A 60 8.433 3.844 -6.322 1.00 0.00 C ATOM 553 O CYS A 60 9.002 4.116 -5.291 1.00 0.00 O ATOM 554 CB CYS A 60 6.565 2.312 -6.917 1.00 0.00 C ATOM 555 SG CYS A 60 6.432 0.558 -7.529 1.00 0.00 S ATOM 0 H CYS A 60 7.456 2.127 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 60 8.627 1.930 -7.175 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.858 2.511 -6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 60 6.356 3.031 -7.710 1.00 0.00 H new ATOM 557 N SER A 61 8.020 4.737 -7.208 1.00 0.00 N ATOM 558 CA SER A 61 8.447 6.157 -7.244 1.00 0.00 C ATOM 559 C SER A 61 8.352 6.752 -8.645 1.00 0.00 C ATOM 560 O SER A 61 9.224 7.466 -9.136 1.00 0.00 O ATOM 561 CB SER A 61 9.866 6.458 -6.762 1.00 0.00 C ATOM 562 OG SER A 61 10.796 5.673 -7.494 1.00 0.00 O ATOM 0 H SER A 61 7.360 4.503 -7.949 1.00 0.00 H new ATOM 0 HA SER A 61 7.745 6.606 -6.541 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.088 7.517 -6.892 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.952 6.243 -5.697 1.00 0.00 H new ATOM 0 HG SER A 61 11.705 5.869 -7.184 1.00 0.00 H new ATOM 565 N THR A 62 7.257 6.433 -9.311 1.00 0.00 N ATOM 566 CA THR A 62 7.089 6.897 -10.701 1.00 0.00 C ATOM 567 C THR A 62 5.711 7.518 -10.851 1.00 0.00 C ATOM 568 O THR A 62 5.036 7.224 -11.822 1.00 0.00 O ATOM 569 CB THR A 62 7.324 5.745 -11.711 1.00 0.00 C ATOM 570 OG1 THR A 62 8.685 5.353 -11.588 1.00 0.00 O ATOM 571 CG2 THR A 62 7.103 6.037 -13.205 1.00 0.00 C ATOM 0 H THR A 62 6.488 5.875 -8.940 1.00 0.00 H new ATOM 0 HA THR A 62 7.839 7.655 -10.925 1.00 0.00 H new ATOM 0 HB THR A 62 6.574 5.000 -11.447 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.873 4.622 -12.213 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.306 5.137 -13.786 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.071 6.348 -13.366 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.776 6.833 -13.523 1.00 0.00 H new ATOM 574 N ASP A 63 5.207 8.170 -9.812 1.00 0.00 N ATOM 575 CA ASP A 63 3.849 8.754 -9.814 1.00 0.00 C ATOM 576 C ASP A 63 2.973 7.885 -8.957 1.00 0.00 C ATOM 577 O ASP A 63 2.231 8.475 -8.214 1.00 0.00 O ATOM 578 CB ASP A 63 3.097 8.974 -11.146 1.00 0.00 C ATOM 579 CG ASP A 63 3.962 9.859 -12.051 1.00 0.00 C ATOM 580 OD1 ASP A 63 4.119 11.011 -11.610 1.00 0.00 O ATOM 581 OD2 ASP A 63 4.504 9.398 -13.080 1.00 0.00 O ATOM 0 H ASP A 63 5.717 8.315 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 63 4.033 9.768 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.896 8.018 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.132 9.447 -10.963 1.00 0.00 H new ATOM 583 N LYS A 64 3.125 6.588 -8.884 1.00 0.00 N ATOM 584 CA LYS A 64 2.252 5.678 -8.108 1.00 0.00 C ATOM 585 C LYS A 64 2.796 4.286 -8.268 1.00 0.00 C ATOM 586 O LYS A 64 3.722 4.119 -9.067 1.00 0.00 O ATOM 587 CB LYS A 64 0.852 5.514 -8.685 1.00 0.00 C ATOM 588 CG LYS A 64 0.061 6.766 -8.524 1.00 0.00 C ATOM 589 CD LYS A 64 -1.340 6.612 -9.042 1.00 0.00 C ATOM 590 CE LYS A 64 -1.480 7.779 -10.001 1.00 0.00 C ATOM 591 NZ LYS A 64 -2.895 8.092 -10.131 1.00 0.00 N ATOM 0 H LYS A 64 3.877 6.099 -9.370 1.00 0.00 H new ATOM 0 HA LYS A 64 2.220 6.096 -7.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.918 5.254 -9.741 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.342 4.690 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.030 7.043 -7.470 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.557 7.580 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.481 5.656 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.075 6.660 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.932 8.645 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.056 7.526 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.015 8.891 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.401 7.262 -10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.281 8.346 -9.200 1.00 0.00 H new ATOM 596 N CYS A 65 2.236 3.387 -7.452 1.00 0.00 N ATOM 597 CA CYS A 65 2.483 1.938 -7.524 1.00 0.00 C ATOM 598 C CYS A 65 2.139 1.244 -6.217 1.00 0.00 C ATOM 599 O CYS A 65 2.960 0.667 -5.502 1.00 0.00 O ATOM 600 CB CYS A 65 3.943 1.725 -7.758 1.00 0.00 C ATOM 601 SG CYS A 65 4.547 0.043 -7.969 1.00 0.00 S ATOM 0 H CYS A 65 1.587 3.647 -6.709 1.00 0.00 H new ATOM 0 HA CYS A 65 1.864 1.529 -8.323 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.221 2.290 -8.647 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.480 2.166 -6.919 1.00 0.00 H new ATOM 603 N ASN A 66 0.932 1.571 -5.824 1.00 0.00 N ATOM 604 CA ASN A 66 0.368 1.034 -4.599 1.00 0.00 C ATOM 605 C ASN A 66 -1.162 1.090 -4.660 1.00 0.00 C ATOM 606 O ASN A 66 -1.814 1.672 -3.817 1.00 0.00 O ATOM 607 CB ASN A 66 1.051 1.833 -3.504 1.00 0.00 C ATOM 608 CG ASN A 66 0.662 3.288 -3.542 1.00 0.00 C ATOM 609 OD1 ASN A 66 1.210 3.822 -4.562 1.00 0.00 O flip ATOM 610 ND2 ASN A 66 -0.087 3.947 -2.849 1.00 0.00 N flip ATOM 0 H ASN A 66 0.317 2.207 -6.332 1.00 0.00 H new ATOM 0 HA ASN A 66 0.550 -0.025 -4.415 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.791 1.413 -2.532 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.132 1.744 -3.610 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.529 3.526 -2.032 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.274 4.922 -3.084 1.00 0.00 H new ATOM 614 N PRO A 67 -1.725 0.593 -5.767 1.00 0.00 N ATOM 615 CA PRO A 67 -3.158 0.618 -5.976 1.00 0.00 C ATOM 616 C PRO A 67 -3.861 -0.324 -5.023 1.00 0.00 C ATOM 617 O PRO A 67 -3.415 -0.466 -3.875 1.00 0.00 O ATOM 618 CB PRO A 67 -3.377 0.468 -7.476 1.00 0.00 C ATOM 619 CG PRO A 67 -2.238 -0.467 -7.846 1.00 0.00 C ATOM 620 CD PRO A 67 -1.098 -0.080 -6.913 1.00 0.00 C ATOM 0 HA PRO A 67 -3.643 1.557 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.353 0.041 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.313 1.422 -7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.523 -1.510 -7.711 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.952 -0.348 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.541 -0.960 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.390 0.580 -7.414 1.00 0.00 H new ATOM 621 N HIS A 68 -5.024 -0.769 -5.460 1.00 0.00 N ATOM 622 CA HIS A 68 -5.813 -1.767 -4.737 1.00 0.00 C ATOM 623 C HIS A 68 -7.164 -1.947 -5.426 1.00 0.00 C ATOM 624 O HIS A 68 -7.898 -0.966 -5.569 1.00 0.00 O ATOM 625 CB HIS A 68 -5.958 -1.318 -3.281 1.00 0.00 C ATOM 626 CG HIS A 68 -6.794 -2.181 -2.379 1.00 0.00 C ATOM 627 ND1 HIS A 68 -7.896 -1.621 -1.848 1.00 0.00 N ATOM 628 CD2 HIS A 68 -6.936 -3.468 -2.410 1.00 0.00 C ATOM 629 CE1 HIS A 68 -8.775 -2.579 -1.734 1.00 0.00 C ATOM 630 NE2 HIS A 68 -8.183 -3.693 -2.023 1.00 0.00 N ATOM 0 H HIS A 68 -5.455 -0.452 -6.328 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.315 -2.737 -4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -4.960 -1.244 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.382 -0.314 -3.277 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.020 -0.643 -1.587 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.195 -4.202 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -9.810 -2.463 -1.450 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -8.616 -4.615 -1.961 1.00 0.00 H new ATOM 633 N PRO A 69 -7.413 -3.172 -5.889 1.00 0.00 N ATOM 634 CA PRO A 69 -8.672 -3.529 -6.567 1.00 0.00 C ATOM 635 C PRO A 69 -9.798 -3.578 -5.539 1.00 0.00 C ATOM 636 O PRO A 69 -9.592 -3.107 -4.431 1.00 0.00 O ATOM 637 CB PRO A 69 -8.369 -4.893 -7.183 1.00 0.00 C ATOM 638 CG PRO A 69 -7.363 -5.531 -6.224 1.00 0.00 C ATOM 639 CD PRO A 69 -6.526 -4.350 -5.749 1.00 0.00 C ATOM 0 HA PRO A 69 -8.999 -2.819 -7.326 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.271 -5.498 -7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -7.953 -4.792 -8.185 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -7.862 -6.030 -5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.751 -6.281 -6.725 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.206 -4.483 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.624 -4.238 -6.350 1.00 0.00 H new ATOM 640 N LYS A 70 -10.943 -4.144 -5.922 1.00 0.00 N ATOM 641 CA LYS A 70 -12.117 -4.335 -5.055 1.00 0.00 C ATOM 642 C LYS A 70 -12.531 -2.990 -4.457 1.00 0.00 C ATOM 643 O LYS A 70 -13.290 -2.244 -5.074 1.00 0.00 O ATOM 644 CB LYS A 70 -11.827 -5.390 -3.981 1.00 0.00 C ATOM 645 CG LYS A 70 -13.122 -5.673 -3.233 1.00 0.00 C ATOM 646 CD LYS A 70 -12.856 -6.536 -2.021 1.00 0.00 C ATOM 647 CE LYS A 70 -14.203 -6.832 -1.366 1.00 0.00 C ATOM 648 NZ LYS A 70 -13.976 -7.599 -0.141 1.00 0.00 N ATOM 0 H LYS A 70 -11.088 -4.494 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.954 -4.711 -5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.444 -6.303 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.061 -5.032 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.583 -4.735 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.829 -6.173 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.359 -7.462 -2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.194 -6.024 -1.323 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.723 -5.902 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.839 -7.394 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.890 -7.893 0.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.406 -8.441 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.470 -7.009 0.550 1.00 0.00 H new ATOM 653 N GLN A 71 -11.926 -2.649 -3.319 1.00 0.00 N ATOM 654 CA GLN A 71 -12.140 -1.352 -2.697 1.00 0.00 C ATOM 655 C GLN A 71 -13.605 -1.309 -2.257 1.00 0.00 C ATOM 656 O GLN A 71 -14.191 -2.338 -1.925 1.00 0.00 O ATOM 657 CB GLN A 71 -11.761 -0.175 -3.619 1.00 0.00 C ATOM 658 CG GLN A 71 -10.262 -0.053 -3.863 1.00 0.00 C ATOM 659 CD GLN A 71 -9.503 0.527 -2.670 1.00 0.00 C ATOM 660 OE1 GLN A 71 -8.227 0.731 -2.842 1.00 0.00 O flip ATOM 661 NE2 GLN A 71 -9.976 0.687 -1.554 1.00 0.00 N flip ATOM 0 H GLN A 71 -11.283 -3.258 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.482 -1.235 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.268 -0.296 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.126 0.753 -3.179 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.858 -1.037 -4.099 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.093 0.579 -4.735 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.972 0.533 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.375 0.974 -0.782 1.00 0.00 H new ATOM 665 N ARG A 72 -14.035 -0.101 -1.944 1.00 0.00 N ATOM 666 CA ARG A 72 -15.397 0.141 -1.458 1.00 0.00 C ATOM 667 C ARG A 72 -15.855 1.470 -2.036 1.00 0.00 C ATOM 668 O ARG A 72 -15.225 2.506 -1.795 1.00 0.00 O ATOM 669 CB ARG A 72 -15.639 0.128 0.065 1.00 0.00 C ATOM 670 CG ARG A 72 -15.497 -1.259 0.725 1.00 0.00 C ATOM 671 CD ARG A 72 -14.995 -1.084 2.167 1.00 0.00 C ATOM 672 NE ARG A 72 -14.106 -2.149 2.699 1.00 0.00 N ATOM 673 CZ ARG A 72 -13.899 -2.341 4.006 1.00 0.00 C ATOM 674 NH1 ARG A 72 -14.458 -1.535 4.907 1.00 0.00 N ATOM 675 NH2 ARG A 72 -13.167 -3.359 4.433 1.00 0.00 N ATOM 0 H ARG A 72 -13.462 0.740 -2.016 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.975 -0.719 -1.796 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.936 0.814 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.640 0.510 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.456 -1.776 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -14.800 -1.876 0.157 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.463 -0.135 2.229 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -15.863 -1.007 2.822 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.631 -2.762 2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.050 -0.763 4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.294 -1.690 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.754 -4.007 3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.016 -3.495 5.433 1.00 0.00 H new ATOM 682 N PRO A 73 -16.952 1.388 -2.783 1.00 0.00 N ATOM 683 CA PRO A 73 -17.596 2.562 -3.398 1.00 0.00 C ATOM 684 C PRO A 73 -18.328 3.424 -2.352 1.00 0.00 C ATOM 685 O PRO A 73 -19.436 3.904 -2.579 1.00 0.00 O ATOM 686 CB PRO A 73 -18.512 1.934 -4.452 1.00 0.00 C ATOM 687 CG PRO A 73 -18.932 0.594 -3.846 1.00 0.00 C ATOM 688 CD PRO A 73 -17.688 0.140 -3.096 1.00 0.00 C ATOM 0 HA PRO A 73 -16.899 3.271 -3.845 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -19.376 2.566 -4.654 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -17.990 1.795 -5.399 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -19.786 0.705 -3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -19.221 -0.122 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -17.951 -0.402 -2.187 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -17.084 -0.533 -3.705 1.00 0.00 H new ATOM 689 N GLY A 74 -17.676 3.605 -1.194 1.00 0.00 N ATOM 690 CA GLY A 74 -18.240 4.320 -0.031 1.00 0.00 C ATOM 691 C GLY A 74 -17.558 3.936 1.294 1.00 0.00 C ATOM 692 O GLY A 74 -17.978 4.496 2.328 1.00 0.00 O ATOM 693 OXT GLY A 74 -16.632 3.093 1.239 1.00 99.99 O ATOM 0 H GLY A 74 -16.731 3.256 -1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.140 5.394 -0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -19.306 4.106 0.039 1.00 0.00 H new TER 695 GLY A 74