USER MOD reduce.3.24.130724 H: found=0, std=0, add=1185, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1185 hydrogens (30 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: B 1 FME CE :methyl -149:sc= -0.321 (180deg=0) USER MOD Set 1.2: C 42 THR OG1 : rot 67:sc= 0.222 USER MOD Set 2.1: A 42 THR OG1 : rot 160:sc=-0.00891 USER MOD Set 2.2: C 1 FME CE :methyl -150:sc= -0.306 (180deg=0) USER MOD Set 3.1: A 1 FME CE :methyl -149:sc= -0.343 (180deg=0) USER MOD Set 3.2: B 42 THR OG1 : rot 67:sc= 0.212 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 39 GLN : amide:sc=-0.00521 K(o=-0.0052,f=-1) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.25 K(o=0.25,f=-0.72) USER MOD Single : A 49 LYS NZ :NH3+ 147:sc= 2.03 (180deg=0.567) USER MOD Single : A 50 HIS : no HD1:sc= -2.63 K(o=-2.6,f=-6.9!) USER MOD Single : A 52 ASN :FLIP amide:sc= -0.733 F(o=-1.6,f=-0.73) USER MOD Single : A 53 LYS NZ :NH3+ -97:sc= 1.23 (180deg=-0.401) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0.0014 USER MOD Single : B 14 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00354) USER MOD Single : B 24 THR OG1 : rot 180:sc= -1.65! USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 THR OG1 : rot 180:sc= -0.128 USER MOD Single : B 39 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.87) USER MOD Single : B 41 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= 0.234 K(o=0.23,f=-0.74) USER MOD Single : B 49 LYS NZ :NH3+ 155:sc= 1.97 (180deg=0.547) USER MOD Single : B 50 HIS : no HD1:sc= -1.94 K(o=-1.9,f=-6.2!) USER MOD Single : B 52 ASN :FLIP amide:sc= -0.821 F(o=-1.7,f=-0.82) USER MOD Single : B 53 LYS NZ :NH3+ -115:sc= 1.28 (180deg=-0.361) USER MOD Single : C 5 THR OG1 : rot 180:sc= 0 USER MOD Single : C 14 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0105) USER MOD Single : C 24 THR OG1 : rot 180:sc= -2! USER MOD Single : C 30 SER OG : rot 180:sc= 0 USER MOD Single : C 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 THR OG1 : rot 180:sc= -0.089 USER MOD Single : C 39 GLN : amide:sc=-0.000991 K(o=-0.00099,f=-0.84) USER MOD Single : C 41 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 GLN : amide:sc= 0.223 K(o=0.22,f=-0.74) USER MOD Single : C 49 LYS NZ :NH3+ 157:sc= 2.13 (180deg=0.835) USER MOD Single : C 50 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-6.7!) USER MOD Single : C 52 ASN :FLIP amide:sc= -0.898 F(o=-1.9,f=-0.9) USER MOD Single : C 53 LYS NZ :NH3+ -109:sc= 1.18 (180deg=-0.655) USER MOD ----------------------------------------------------------------- HETATM 1 N FME A 1 1.998 -11.236 13.263 1.00 0.00 N HETATM 2 CN FME A 1 3.189 -10.773 12.910 1.00 0.00 C HETATM 3 O1 FME A 1 4.230 -11.166 13.441 1.00 0.00 O HETATM 4 CA FME A 1 0.785 -10.761 12.615 1.00 0.00 C HETATM 5 CB FME A 1 0.019 -11.931 11.997 1.00 0.00 C HETATM 6 CG FME A 1 -1.067 -11.505 11.023 1.00 0.00 C HETATM 7 SD FME A 1 -1.877 -12.912 10.241 1.00 0.00 S HETATM 8 CE FME A 1 -2.807 -12.088 8.952 1.00 0.00 C HETATM 9 C FME A 1 -0.100 -10.044 13.623 1.00 0.00 C HETATM 10 O FME A 1 -0.834 -10.677 14.375 1.00 0.00 O HETATM 0 HG3 FME A 1 -1.811 -10.908 11.551 1.00 0.00 H new HETATM 0 HG2 FME A 1 -0.632 -10.866 10.254 1.00 0.00 H new HETATM 0 HE3 FME A 1 -3.722 -12.645 8.751 1.00 0.00 H new HETATM 0 HE2 FME A 1 -3.060 -11.078 9.275 1.00 0.00 H new HETATM 0 HE1 FME A 1 -2.206 -12.039 8.044 1.00 0.00 H new HETATM 0 HCN FME A 1 3.250 -10.020 12.124 1.00 0.00 H new HETATM 0 HB3 FME A 1 0.724 -12.582 11.479 1.00 0.00 H new HETATM 0 HB2 FME A 1 -0.432 -12.520 12.795 1.00 0.00 H new HETATM 0 HA FME A 1 1.065 -10.064 11.825 1.00 0.00 H new HETATM 0 H FME A 1 1.931 -11.937 14.001 1.00 0.00 H new ATOM 21 N VAL A 2 -0.025 -8.724 13.634 1.00 0.00 N ATOM 22 CA VAL A 2 -0.791 -7.927 14.583 1.00 0.00 C ATOM 23 C VAL A 2 -1.960 -7.233 13.876 1.00 0.00 C ATOM 24 O VAL A 2 -2.611 -6.344 14.425 1.00 0.00 O ATOM 25 CB VAL A 2 0.123 -6.884 15.274 1.00 0.00 C ATOM 26 CG1 VAL A 2 0.557 -5.805 14.292 1.00 0.00 C ATOM 27 CG2 VAL A 2 -0.552 -6.277 16.500 1.00 0.00 C ATOM 0 H VAL A 2 0.558 -8.180 12.998 1.00 0.00 H new ATOM 0 HA VAL A 2 -1.195 -8.591 15.347 1.00 0.00 H new ATOM 0 HB VAL A 2 1.018 -7.403 15.618 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.198 -5.085 14.802 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.107 -6.262 13.469 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.323 -5.294 13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.116 -5.550 16.961 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.475 -5.782 16.199 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.780 -7.065 17.217 1.00 0.00 H new ATOM 37 N ILE A 3 -2.236 -7.663 12.653 1.00 0.00 N ATOM 38 CA ILE A 3 -3.300 -7.067 11.864 1.00 0.00 C ATOM 39 C ILE A 3 -3.937 -8.109 10.952 1.00 0.00 C ATOM 40 O ILE A 3 -3.255 -8.997 10.440 1.00 0.00 O ATOM 41 CB ILE A 3 -2.775 -5.878 11.017 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.941 -5.108 10.388 1.00 0.00 C ATOM 43 CG2 ILE A 3 -1.809 -6.365 9.938 1.00 0.00 C ATOM 44 CD1 ILE A 3 -3.517 -3.844 9.672 1.00 0.00 C ATOM 0 H ILE A 3 -1.738 -8.422 12.188 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.052 -6.690 12.557 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.233 -5.202 11.679 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.457 -5.759 9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.658 -4.851 11.168 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.454 -5.514 9.357 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.961 -6.863 10.407 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.322 -7.065 9.279 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.394 -3.352 9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.027 -3.173 10.378 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.823 -4.096 8.870 1.00 0.00 H new ATOM 56 N ALA A 4 -5.247 -8.022 10.794 1.00 0.00 N ATOM 57 CA ALA A 4 -5.960 -8.863 9.851 1.00 0.00 C ATOM 58 C ALA A 4 -6.693 -7.997 8.837 1.00 0.00 C ATOM 59 O ALA A 4 -6.920 -6.809 9.074 1.00 0.00 O ATOM 60 CB ALA A 4 -6.930 -9.777 10.585 1.00 0.00 C ATOM 0 H ALA A 4 -5.840 -7.373 11.311 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.243 -9.489 9.319 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -7.457 -10.402 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.378 -10.411 11.279 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.650 -9.174 11.138 1.00 0.00 H new ATOM 66 N THR A 5 -7.066 -8.593 7.712 1.00 0.00 N ATOM 67 CA THR A 5 -7.732 -7.871 6.638 1.00 0.00 C ATOM 68 C THR A 5 -9.111 -7.383 7.084 1.00 0.00 C ATOM 69 O THR A 5 -9.696 -6.492 6.474 1.00 0.00 O ATOM 70 CB THR A 5 -7.879 -8.765 5.388 1.00 0.00 C ATOM 71 OG1 THR A 5 -6.637 -9.436 5.125 1.00 0.00 O ATOM 72 CG2 THR A 5 -8.275 -7.949 4.166 1.00 0.00 C ATOM 0 H THR A 5 -6.916 -9.583 7.520 1.00 0.00 H new ATOM 0 HA THR A 5 -7.116 -7.008 6.387 1.00 0.00 H new ATOM 0 HB THR A 5 -8.666 -9.493 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.734 -10.004 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.370 -8.608 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.229 -7.455 4.352 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.510 -7.198 3.966 1.00 0.00 H new ATOM 80 N ASP A 6 -9.594 -7.932 8.191 1.00 0.00 N ATOM 81 CA ASP A 6 -10.916 -7.596 8.702 1.00 0.00 C ATOM 82 C ASP A 6 -10.871 -6.300 9.504 1.00 0.00 C ATOM 83 O ASP A 6 -11.907 -5.793 9.941 1.00 0.00 O ATOM 84 CB ASP A 6 -11.460 -8.730 9.581 1.00 0.00 C ATOM 85 CG ASP A 6 -11.736 -10.005 8.803 1.00 0.00 C ATOM 86 OD1 ASP A 6 -10.795 -10.804 8.606 1.00 0.00 O ATOM 87 OD2 ASP A 6 -12.898 -10.224 8.398 1.00 0.00 O ATOM 0 H ASP A 6 -9.087 -8.615 8.754 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.580 -7.459 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.743 -8.943 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -12.380 -8.399 10.063 1.00 0.00 H new ATOM 92 N ASP A 7 -9.668 -5.761 9.700 1.00 0.00 N ATOM 93 CA ASP A 7 -9.512 -4.488 10.401 1.00 0.00 C ATOM 94 C ASP A 7 -9.265 -3.352 9.415 1.00 0.00 C ATOM 95 O ASP A 7 -9.205 -2.185 9.799 1.00 0.00 O ATOM 96 CB ASP A 7 -8.332 -4.551 11.381 1.00 0.00 C ATOM 97 CG ASP A 7 -8.433 -5.689 12.378 1.00 0.00 C ATOM 98 OD1 ASP A 7 -9.307 -5.631 13.268 1.00 0.00 O ATOM 99 OD2 ASP A 7 -7.614 -6.635 12.295 1.00 0.00 O ATOM 0 H ASP A 7 -8.794 -6.182 9.386 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.436 -4.301 10.948 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.406 -4.655 10.816 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -8.270 -3.608 11.924 1.00 0.00 H new ATOM 104 N LEU A 8 -9.122 -3.694 8.144 1.00 0.00 N ATOM 105 CA LEU A 8 -8.919 -2.691 7.103 1.00 0.00 C ATOM 106 C LEU A 8 -10.060 -2.723 6.102 1.00 0.00 C ATOM 107 O LEU A 8 -10.387 -1.710 5.475 1.00 0.00 O ATOM 108 CB LEU A 8 -7.592 -2.924 6.382 1.00 0.00 C ATOM 109 CG LEU A 8 -6.344 -2.735 7.241 1.00 0.00 C ATOM 110 CD1 LEU A 8 -5.095 -3.072 6.444 1.00 0.00 C ATOM 111 CD2 LEU A 8 -6.269 -1.310 7.762 1.00 0.00 C ATOM 0 H LEU A 8 -9.142 -4.656 7.806 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.894 -1.711 7.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.588 -3.938 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.535 -2.245 5.532 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.406 -3.413 8.092 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.214 -2.932 7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.144 -4.109 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.030 -2.417 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.374 -1.192 8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.229 -0.617 6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.151 -1.097 8.366 1.00 0.00 H new ATOM 123 N GLU A 9 -10.683 -3.883 5.987 1.00 0.00 N ATOM 124 CA GLU A 9 -11.751 -4.090 5.032 1.00 0.00 C ATOM 125 C GLU A 9 -12.874 -4.882 5.674 1.00 0.00 C ATOM 126 O GLU A 9 -12.643 -5.730 6.536 1.00 0.00 O ATOM 127 CB GLU A 9 -11.241 -4.824 3.792 1.00 0.00 C ATOM 128 CG GLU A 9 -10.198 -4.047 3.009 1.00 0.00 C ATOM 129 CD GLU A 9 -9.678 -4.815 1.815 1.00 0.00 C ATOM 130 OE1 GLU A 9 -9.637 -6.059 1.876 1.00 0.00 O ATOM 131 OE2 GLU A 9 -9.321 -4.175 0.805 1.00 0.00 O ATOM 0 H GLU A 9 -10.462 -4.703 6.552 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.127 -3.114 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.816 -5.781 4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.085 -5.043 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.630 -3.105 2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.366 -3.798 3.667 1.00 0.00 H new ATOM 138 N VAL A 10 -14.086 -4.583 5.264 1.00 0.00 N ATOM 139 CA VAL A 10 -15.259 -5.281 5.741 1.00 0.00 C ATOM 140 C VAL A 10 -16.086 -5.748 4.550 1.00 0.00 C ATOM 141 O VAL A 10 -16.217 -5.036 3.554 1.00 0.00 O ATOM 142 CB VAL A 10 -16.100 -4.375 6.676 1.00 0.00 C ATOM 143 CG1 VAL A 10 -16.429 -3.048 6.007 1.00 0.00 C ATOM 144 CG2 VAL A 10 -17.371 -5.080 7.122 1.00 0.00 C ATOM 0 H VAL A 10 -14.287 -3.846 4.588 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.946 -6.149 6.321 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.498 -4.167 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -17.019 -2.434 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -15.505 -2.527 5.758 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.999 -3.231 5.096 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -17.942 -4.422 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -17.972 -5.333 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -17.112 -5.991 7.661 1.00 0.00 H new ATOM 154 N ALA A 11 -16.616 -6.958 4.639 1.00 0.00 N ATOM 155 CA ALA A 11 -17.399 -7.531 3.557 1.00 0.00 C ATOM 156 C ALA A 11 -18.667 -6.720 3.319 1.00 0.00 C ATOM 157 O ALA A 11 -19.365 -6.347 4.262 1.00 0.00 O ATOM 158 CB ALA A 11 -17.729 -8.974 3.901 1.00 0.00 C ATOM 0 H ALA A 11 -16.517 -7.564 5.454 1.00 0.00 H new ATOM 0 HA ALA A 11 -16.820 -7.505 2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -18.317 -9.415 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.805 -9.539 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -18.302 -9.005 4.828 1.00 0.00 H new ATOM 164 N CYS A 12 -18.943 -6.436 2.042 1.00 0.00 N ATOM 165 CA CYS A 12 -19.983 -5.501 1.632 1.00 0.00 C ATOM 166 C CYS A 12 -21.398 -5.968 2.009 1.00 0.00 C ATOM 167 O CYS A 12 -21.609 -7.159 2.212 1.00 0.00 O ATOM 168 CB CYS A 12 -19.842 -5.282 0.114 1.00 0.00 C ATOM 169 SG CYS A 12 -21.213 -4.422 -0.687 1.00 0.00 S ATOM 0 H CYS A 12 -18.442 -6.856 1.259 1.00 0.00 H new ATOM 0 HA CYS A 12 -19.848 -4.562 2.169 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -18.927 -4.718 -0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -19.718 -6.254 -0.364 1.00 0.00 H new ATOM 174 N PRO A 13 -22.377 -5.043 2.125 1.00 0.00 N ATOM 175 CA PRO A 13 -23.776 -5.373 2.434 1.00 0.00 C ATOM 176 C PRO A 13 -24.303 -6.644 1.757 1.00 0.00 C ATOM 177 O PRO A 13 -25.085 -7.390 2.346 1.00 0.00 O ATOM 178 CB PRO A 13 -24.519 -4.160 1.880 1.00 0.00 C ATOM 179 CG PRO A 13 -23.596 -3.013 2.097 1.00 0.00 C ATOM 180 CD PRO A 13 -22.193 -3.575 2.012 1.00 0.00 C ATOM 0 HA PRO A 13 -23.903 -5.572 3.498 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.749 -4.287 0.822 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -25.467 -4.008 2.396 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.752 -2.241 1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.772 -2.551 3.068 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.713 -3.306 1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.562 -3.191 2.813 1.00 0.00 H new ATOM 188 N LYS A 14 -23.858 -6.907 0.532 1.00 0.00 N ATOM 189 CA LYS A 14 -24.505 -7.936 -0.274 1.00 0.00 C ATOM 190 C LYS A 14 -23.559 -8.705 -1.206 1.00 0.00 C ATOM 191 O LYS A 14 -23.819 -9.856 -1.520 1.00 0.00 O ATOM 192 CB LYS A 14 -25.630 -7.305 -1.105 1.00 0.00 C ATOM 193 CG LYS A 14 -26.297 -8.277 -2.069 1.00 0.00 C ATOM 194 CD LYS A 14 -27.278 -7.570 -2.991 1.00 0.00 C ATOM 195 CE LYS A 14 -27.750 -8.491 -4.104 1.00 0.00 C ATOM 196 NZ LYS A 14 -28.566 -9.625 -3.591 1.00 0.00 N ATOM 0 H LYS A 14 -23.072 -6.435 0.085 1.00 0.00 H new ATOM 0 HA LYS A 14 -24.893 -8.668 0.435 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -26.385 -6.900 -0.431 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.225 -6.466 -1.671 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.535 -8.779 -2.665 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.820 -9.049 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -28.136 -7.222 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.805 -6.688 -3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -28.338 -7.919 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -26.885 -8.882 -4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -28.865 -10.225 -4.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.998 -10.188 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -29.406 -9.255 -3.102 1.00 0.00 H new ATOM 210 N CYS A 15 -22.484 -8.100 -1.684 1.00 0.00 N ATOM 211 CA CYS A 15 -21.749 -8.734 -2.780 1.00 0.00 C ATOM 212 C CYS A 15 -20.298 -9.081 -2.450 1.00 0.00 C ATOM 213 O CYS A 15 -19.405 -8.907 -3.286 1.00 0.00 O ATOM 214 CB CYS A 15 -21.781 -7.761 -3.946 1.00 0.00 C ATOM 215 SG CYS A 15 -20.969 -6.190 -3.572 1.00 0.00 S ATOM 0 H CYS A 15 -22.109 -7.211 -1.353 1.00 0.00 H new ATOM 0 HA CYS A 15 -22.229 -9.687 -3.002 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -21.296 -8.219 -4.808 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -22.817 -7.571 -4.226 1.00 0.00 H new ATOM 220 N GLU A 16 -20.090 -9.688 -1.302 1.00 0.00 N ATOM 221 CA GLU A 16 -18.757 -9.965 -0.795 1.00 0.00 C ATOM 222 C GLU A 16 -18.285 -11.331 -1.247 1.00 0.00 C ATOM 223 O GLU A 16 -17.429 -11.944 -0.611 1.00 0.00 O ATOM 224 CB GLU A 16 -18.767 -9.942 0.736 1.00 0.00 C ATOM 225 CG GLU A 16 -20.060 -9.439 1.352 1.00 0.00 C ATOM 226 CD GLU A 16 -21.117 -10.524 1.439 1.00 0.00 C ATOM 227 OE1 GLU A 16 -21.682 -10.886 0.392 1.00 0.00 O ATOM 228 OE2 GLU A 16 -21.378 -11.023 2.553 1.00 0.00 O ATOM 0 H GLU A 16 -20.841 -10.006 -0.689 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.084 -9.200 -1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.573 -10.950 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -17.946 -9.314 1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.857 -9.051 2.350 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -20.443 -8.608 0.759 1.00 0.00 H new ATOM 235 N ARG A 17 -18.830 -11.811 -2.352 1.00 0.00 N ATOM 236 CA ARG A 17 -18.538 -13.148 -2.811 1.00 0.00 C ATOM 237 C ARG A 17 -18.616 -13.144 -4.337 1.00 0.00 C ATOM 238 O ARG A 17 -18.101 -14.036 -5.009 1.00 0.00 O ATOM 239 CB ARG A 17 -19.493 -14.194 -2.213 1.00 0.00 C ATOM 240 CG ARG A 17 -20.937 -14.113 -2.701 1.00 0.00 C ATOM 241 CD ARG A 17 -21.752 -13.089 -1.925 1.00 0.00 C ATOM 242 NE ARG A 17 -23.182 -13.237 -2.184 1.00 0.00 N ATOM 243 CZ ARG A 17 -24.141 -12.922 -1.310 1.00 0.00 C ATOM 244 NH1 ARG A 17 -23.840 -12.344 -0.154 1.00 0.00 N ATOM 245 NH2 ARG A 17 -25.409 -13.163 -1.606 1.00 0.00 N ATOM 0 H ARG A 17 -19.477 -11.290 -2.944 1.00 0.00 H new ATOM 0 HA ARG A 17 -17.540 -13.432 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -19.105 -15.187 -2.439 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -19.487 -14.089 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -20.946 -13.855 -3.760 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -21.405 -15.093 -2.608 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -21.561 -13.203 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -21.433 -12.084 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 17 -23.466 -13.605 -3.092 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -22.868 -12.136 0.074 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -24.581 -12.108 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -25.652 -13.589 -2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -26.143 -12.923 -0.939 1.00 0.00 H new ATOM 259 N ALA A 18 -19.274 -12.104 -4.875 1.00 0.00 N ATOM 260 CA ALA A 18 -19.599 -12.053 -6.301 1.00 0.00 C ATOM 261 C ALA A 18 -18.923 -10.888 -7.016 1.00 0.00 C ATOM 262 O ALA A 18 -18.424 -11.041 -8.127 1.00 0.00 O ATOM 263 CB ALA A 18 -21.108 -11.977 -6.491 1.00 0.00 C ATOM 0 H ALA A 18 -19.588 -11.293 -4.343 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.216 -12.970 -6.749 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -21.339 -11.939 -7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -21.575 -12.857 -6.049 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -21.491 -11.080 -6.005 1.00 0.00 H new ATOM 269 N GLY A 19 -18.911 -9.723 -6.379 1.00 0.00 N ATOM 270 CA GLY A 19 -18.293 -8.562 -6.994 1.00 0.00 C ATOM 271 C GLY A 19 -19.285 -7.682 -7.735 1.00 0.00 C ATOM 272 O GLY A 19 -18.896 -6.726 -8.401 1.00 0.00 O ATOM 0 H GLY A 19 -19.314 -9.561 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.797 -7.971 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.521 -8.894 -7.688 1.00 0.00 H new ATOM 276 N GLU A 20 -20.569 -7.958 -7.554 1.00 0.00 N ATOM 277 CA GLU A 20 -21.620 -7.253 -8.283 1.00 0.00 C ATOM 278 C GLU A 20 -22.887 -7.206 -7.463 1.00 0.00 C ATOM 279 O GLU A 20 -23.045 -7.952 -6.500 1.00 0.00 O ATOM 280 CB GLU A 20 -21.945 -7.921 -9.622 1.00 0.00 C ATOM 281 CG GLU A 20 -22.031 -9.435 -9.530 1.00 0.00 C ATOM 282 CD GLU A 20 -22.538 -10.078 -10.800 1.00 0.00 C ATOM 283 OE1 GLU A 20 -23.732 -9.912 -11.116 1.00 0.00 O ATOM 284 OE2 GLU A 20 -21.761 -10.786 -11.465 1.00 0.00 O ATOM 0 H GLU A 20 -20.911 -8.668 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 20 -21.244 -6.248 -8.473 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -22.893 -7.532 -9.994 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -21.181 -7.651 -10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -21.045 -9.835 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -22.689 -9.706 -8.705 1.00 0.00 H new ATOM 291 N ILE A 21 -23.787 -6.338 -7.866 1.00 0.00 N ATOM 292 CA ILE A 21 -25.104 -6.252 -7.278 1.00 0.00 C ATOM 293 C ILE A 21 -26.080 -5.925 -8.389 1.00 0.00 C ATOM 294 O ILE A 21 -25.894 -4.946 -9.107 1.00 0.00 O ATOM 295 CB ILE A 21 -25.196 -5.200 -6.139 1.00 0.00 C ATOM 296 CG1 ILE A 21 -24.421 -5.686 -4.903 1.00 0.00 C ATOM 297 CG2 ILE A 21 -26.653 -4.925 -5.785 1.00 0.00 C ATOM 298 CD1 ILE A 21 -24.575 -4.811 -3.668 1.00 0.00 C ATOM 0 H ILE A 21 -23.624 -5.667 -8.617 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.342 -7.208 -6.811 1.00 0.00 H new ATOM 0 HB ILE A 21 -24.747 -4.269 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -24.751 -6.696 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -23.363 -5.749 -5.157 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -26.700 -4.186 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -27.175 -4.544 -6.663 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -27.127 -5.849 -5.454 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -23.993 -5.233 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -24.216 -3.805 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -25.626 -4.767 -3.382 1.00 0.00 H new ATOM 310 N GLU A 22 -27.096 -6.762 -8.540 1.00 0.00 N ATOM 311 CA GLU A 22 -28.018 -6.656 -9.664 1.00 0.00 C ATOM 312 C GLU A 22 -27.252 -6.675 -10.988 1.00 0.00 C ATOM 313 O GLU A 22 -27.499 -5.854 -11.871 1.00 0.00 O ATOM 314 CB GLU A 22 -28.821 -5.362 -9.551 1.00 0.00 C ATOM 315 CG GLU A 22 -30.303 -5.522 -9.858 1.00 0.00 C ATOM 316 CD GLU A 22 -30.565 -6.011 -11.268 1.00 0.00 C ATOM 317 OE1 GLU A 22 -30.685 -5.170 -12.179 1.00 0.00 O ATOM 318 OE2 GLU A 22 -30.640 -7.242 -11.471 1.00 0.00 O ATOM 0 H GLU A 22 -27.304 -7.525 -7.896 1.00 0.00 H new ATOM 0 HA GLU A 22 -28.697 -7.508 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -28.711 -4.965 -8.542 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -28.398 -4.623 -10.232 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -30.742 -6.223 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -30.804 -4.565 -9.712 1.00 0.00 H new ATOM 325 N GLY A 23 -26.306 -7.600 -11.111 1.00 0.00 N ATOM 326 CA GLY A 23 -25.495 -7.691 -12.315 1.00 0.00 C ATOM 327 C GLY A 23 -24.701 -6.434 -12.627 1.00 0.00 C ATOM 328 O GLY A 23 -24.096 -6.336 -13.693 1.00 0.00 O ATOM 0 H GLY A 23 -26.084 -8.292 -10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.804 -8.528 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -26.144 -7.916 -13.161 1.00 0.00 H new ATOM 332 N THR A 24 -24.687 -5.475 -11.718 1.00 0.00 N ATOM 333 CA THR A 24 -24.059 -4.198 -11.998 1.00 0.00 C ATOM 334 C THR A 24 -22.917 -3.910 -11.018 1.00 0.00 C ATOM 335 O THR A 24 -22.898 -4.444 -9.899 1.00 0.00 O ATOM 336 CB THR A 24 -25.138 -3.096 -11.955 1.00 0.00 C ATOM 337 OG1 THR A 24 -24.910 -2.119 -12.982 1.00 0.00 O ATOM 338 CG2 THR A 24 -25.212 -2.391 -10.605 1.00 0.00 C ATOM 0 H THR A 24 -25.099 -5.555 -10.789 1.00 0.00 H new ATOM 0 HA THR A 24 -23.612 -4.223 -12.992 1.00 0.00 H new ATOM 0 HB THR A 24 -26.090 -3.600 -12.122 1.00 0.00 H new ATOM 0 HG1 THR A 24 -25.606 -1.430 -12.939 1.00 0.00 H new ATOM 0 HG21 THR A 24 -25.989 -1.627 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 24 -25.448 -3.118 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 24 -24.252 -1.924 -10.385 1.00 0.00 H new ATOM 346 N PRO A 25 -21.926 -3.093 -11.444 1.00 0.00 N ATOM 347 CA PRO A 25 -20.802 -2.687 -10.598 1.00 0.00 C ATOM 348 C PRO A 25 -21.289 -2.066 -9.298 1.00 0.00 C ATOM 349 O PRO A 25 -22.035 -1.088 -9.294 1.00 0.00 O ATOM 350 CB PRO A 25 -20.040 -1.660 -11.450 1.00 0.00 C ATOM 351 CG PRO A 25 -21.006 -1.260 -12.511 1.00 0.00 C ATOM 352 CD PRO A 25 -21.829 -2.487 -12.778 1.00 0.00 C ATOM 0 HA PRO A 25 -20.177 -3.531 -10.305 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.729 -0.802 -10.853 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.137 -2.093 -11.879 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -21.632 -0.430 -12.181 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.488 -0.930 -13.411 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -22.809 -2.239 -13.185 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -21.347 -3.153 -13.493 1.00 0.00 H new ATOM 360 N CYS A 26 -20.855 -2.651 -8.202 1.00 0.00 N ATOM 361 CA CYS A 26 -21.400 -2.342 -6.896 1.00 0.00 C ATOM 362 C CYS A 26 -20.899 -0.997 -6.355 1.00 0.00 C ATOM 363 O CYS A 26 -19.721 -0.673 -6.497 1.00 0.00 O ATOM 364 CB CYS A 26 -21.041 -3.467 -5.942 1.00 0.00 C ATOM 365 SG CYS A 26 -21.724 -3.265 -4.269 1.00 0.00 S ATOM 0 H CYS A 26 -20.115 -3.353 -8.190 1.00 0.00 H new ATOM 0 HA CYS A 26 -22.482 -2.253 -6.988 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -21.398 -4.409 -6.357 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -19.956 -3.539 -5.874 1.00 0.00 H new ATOM 370 N PRO A 27 -21.809 -0.234 -5.693 1.00 0.00 N ATOM 371 CA PRO A 27 -21.580 1.111 -5.135 1.00 0.00 C ATOM 372 C PRO A 27 -20.136 1.461 -4.750 1.00 0.00 C ATOM 373 O PRO A 27 -19.603 2.479 -5.181 1.00 0.00 O ATOM 374 CB PRO A 27 -22.435 1.053 -3.871 1.00 0.00 C ATOM 375 CG PRO A 27 -23.596 0.167 -4.205 1.00 0.00 C ATOM 376 CD PRO A 27 -23.211 -0.625 -5.447 1.00 0.00 C ATOM 0 HA PRO A 27 -21.818 1.875 -5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -21.866 0.653 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -22.773 2.048 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -23.821 -0.503 -3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -24.493 0.759 -4.388 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -23.304 -1.698 -5.282 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -23.850 -0.376 -6.294 1.00 0.00 H new ATOM 384 N ALA A 28 -19.510 0.611 -3.944 1.00 0.00 N ATOM 385 CA ALA A 28 -18.226 0.953 -3.331 1.00 0.00 C ATOM 386 C ALA A 28 -17.205 -0.173 -3.468 1.00 0.00 C ATOM 387 O ALA A 28 -16.055 -0.048 -3.049 1.00 0.00 O ATOM 388 CB ALA A 28 -18.430 1.310 -1.866 1.00 0.00 C ATOM 0 H ALA A 28 -19.865 -0.313 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.825 1.816 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.470 1.563 -1.416 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.103 2.164 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -18.863 0.459 -1.341 1.00 0.00 H new ATOM 394 N CYS A 29 -17.633 -1.285 -4.035 1.00 0.00 N ATOM 395 CA CYS A 29 -16.738 -2.406 -4.262 1.00 0.00 C ATOM 396 C CYS A 29 -16.890 -2.898 -5.701 1.00 0.00 C ATOM 397 O CYS A 29 -17.733 -3.749 -5.989 1.00 0.00 O ATOM 398 CB CYS A 29 -17.022 -3.527 -3.239 1.00 0.00 C ATOM 399 SG CYS A 29 -18.658 -4.289 -3.384 1.00 0.00 S ATOM 0 H CYS A 29 -18.592 -1.437 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 29 -15.705 -2.089 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -16.264 -4.302 -3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.914 -3.119 -2.234 1.00 0.00 H new ATOM 404 N SER A 30 -16.095 -2.329 -6.605 1.00 0.00 N ATOM 405 CA SER A 30 -16.186 -2.637 -8.034 1.00 0.00 C ATOM 406 C SER A 30 -15.631 -4.025 -8.361 1.00 0.00 C ATOM 407 O SER A 30 -14.755 -4.170 -9.212 1.00 0.00 O ATOM 408 CB SER A 30 -15.431 -1.576 -8.842 1.00 0.00 C ATOM 409 OG SER A 30 -15.835 -0.268 -8.472 1.00 0.00 O ATOM 0 H SER A 30 -15.374 -1.646 -6.372 1.00 0.00 H new ATOM 0 HA SER A 30 -17.242 -2.632 -8.304 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.359 -1.688 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.612 -1.728 -9.906 1.00 0.00 H new ATOM 0 HG SER A 30 -15.337 0.390 -9.001 1.00 0.00 H new ATOM 415 N GLY A 31 -16.138 -5.038 -7.677 1.00 0.00 N ATOM 416 CA GLY A 31 -15.765 -6.396 -7.986 1.00 0.00 C ATOM 417 C GLY A 31 -14.588 -6.865 -7.172 1.00 0.00 C ATOM 418 O GLY A 31 -13.615 -7.380 -7.715 1.00 0.00 O ATOM 0 H GLY A 31 -16.804 -4.940 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.615 -7.054 -7.804 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -15.524 -6.472 -9.046 1.00 0.00 H new ATOM 422 N LYS A 32 -14.669 -6.681 -5.860 1.00 0.00 N ATOM 423 CA LYS A 32 -13.619 -7.121 -4.958 1.00 0.00 C ATOM 424 C LYS A 32 -14.229 -7.995 -3.871 1.00 0.00 C ATOM 425 O LYS A 32 -13.642 -8.989 -3.451 1.00 0.00 O ATOM 426 CB LYS A 32 -12.918 -5.909 -4.335 1.00 0.00 C ATOM 427 CG LYS A 32 -12.214 -5.040 -5.365 1.00 0.00 C ATOM 428 CD LYS A 32 -11.722 -3.719 -4.787 1.00 0.00 C ATOM 429 CE LYS A 32 -12.871 -2.884 -4.246 1.00 0.00 C ATOM 430 NZ LYS A 32 -12.529 -1.437 -4.165 1.00 0.00 N ATOM 0 H LYS A 32 -15.457 -6.227 -5.398 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.879 -7.698 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.652 -5.307 -3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.191 -6.254 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.367 -5.588 -5.778 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.896 -4.838 -6.191 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.006 -3.914 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.195 -3.157 -5.558 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.744 -3.013 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.145 -3.246 -3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.343 -0.908 -3.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.713 -1.308 -3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.293 -1.083 -5.114 1.00 0.00 H new ATOM 444 N GLY A 33 -15.419 -7.603 -3.410 1.00 0.00 N ATOM 445 CA GLY A 33 -16.115 -8.341 -2.397 1.00 0.00 C ATOM 446 C GLY A 33 -16.245 -7.517 -1.139 1.00 0.00 C ATOM 447 O GLY A 33 -17.303 -7.475 -0.514 1.00 0.00 O ATOM 0 H GLY A 33 -15.909 -6.770 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -17.104 -8.622 -2.758 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.580 -9.266 -2.180 1.00 0.00 H new ATOM 451 N VAL A 34 -15.194 -6.783 -0.812 1.00 0.00 N ATOM 452 CA VAL A 34 -15.165 -6.029 0.430 1.00 0.00 C ATOM 453 C VAL A 34 -15.114 -4.522 0.191 1.00 0.00 C ATOM 454 O VAL A 34 -14.828 -4.058 -0.920 1.00 0.00 O ATOM 455 CB VAL A 34 -13.951 -6.437 1.292 1.00 0.00 C ATOM 456 CG1 VAL A 34 -14.059 -7.892 1.725 1.00 0.00 C ATOM 457 CG2 VAL A 34 -12.654 -6.205 0.533 1.00 0.00 C ATOM 0 H VAL A 34 -14.355 -6.693 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.091 -6.265 0.954 1.00 0.00 H new ATOM 0 HB VAL A 34 -13.946 -5.813 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -13.193 -8.157 2.331 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.968 -8.031 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.094 -8.532 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.810 -6.498 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -12.655 -6.801 -0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -12.566 -5.149 0.277 1.00 0.00 H new ATOM 467 N ILE A 35 -15.433 -3.778 1.240 1.00 0.00 N ATOM 468 CA ILE A 35 -15.293 -2.330 1.255 1.00 0.00 C ATOM 469 C ILE A 35 -14.444 -1.921 2.451 1.00 0.00 C ATOM 470 O ILE A 35 -14.335 -2.663 3.422 1.00 0.00 O ATOM 471 CB ILE A 35 -16.661 -1.614 1.311 1.00 0.00 C ATOM 472 CG1 ILE A 35 -17.514 -2.159 2.458 1.00 0.00 C ATOM 473 CG2 ILE A 35 -17.389 -1.764 -0.016 1.00 0.00 C ATOM 474 CD1 ILE A 35 -18.852 -1.467 2.602 1.00 0.00 C ATOM 0 H ILE A 35 -15.799 -4.165 2.110 1.00 0.00 H new ATOM 0 HA ILE A 35 -14.808 -2.029 0.327 1.00 0.00 H new ATOM 0 HB ILE A 35 -16.487 -0.554 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.681 -3.225 2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.960 -2.058 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.351 -1.255 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -16.789 -1.323 -0.812 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.549 -2.822 -0.226 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -19.401 -1.906 3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -18.694 -0.405 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.426 -1.590 1.684 1.00 0.00 H new ATOM 486 N LEU A 36 -13.839 -0.750 2.374 1.00 0.00 N ATOM 487 CA LEU A 36 -12.846 -0.347 3.359 1.00 0.00 C ATOM 488 C LEU A 36 -13.465 0.353 4.555 1.00 0.00 C ATOM 489 O LEU A 36 -14.581 0.867 4.491 1.00 0.00 O ATOM 490 CB LEU A 36 -11.800 0.573 2.720 1.00 0.00 C ATOM 491 CG LEU A 36 -11.095 -0.012 1.496 1.00 0.00 C ATOM 492 CD1 LEU A 36 -11.843 0.330 0.217 1.00 0.00 C ATOM 493 CD2 LEU A 36 -9.663 0.474 1.430 1.00 0.00 C ATOM 0 H LEU A 36 -14.015 -0.061 1.643 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.371 -1.261 3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.285 1.506 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.049 0.822 3.470 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.087 -1.098 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.319 -0.099 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.852 -0.078 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.895 1.413 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.175 0.049 0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.651 1.562 1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.131 0.162 2.329 1.00 0.00 H new ATOM 505 N THR A 37 -12.715 0.356 5.644 1.00 0.00 N ATOM 506 CA THR A 37 -13.067 1.108 6.831 1.00 0.00 C ATOM 507 C THR A 37 -12.144 2.318 6.920 1.00 0.00 C ATOM 508 O THR A 37 -11.241 2.449 6.100 1.00 0.00 O ATOM 509 CB THR A 37 -12.941 0.242 8.110 1.00 0.00 C ATOM 510 OG1 THR A 37 -13.311 0.997 9.271 1.00 0.00 O ATOM 511 CG2 THR A 37 -11.525 -0.291 8.280 1.00 0.00 C ATOM 0 H THR A 37 -11.842 -0.166 5.728 1.00 0.00 H new ATOM 0 HA THR A 37 -14.107 1.426 6.759 1.00 0.00 H new ATOM 0 HB THR A 37 -13.620 -0.603 7.999 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.227 0.433 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.470 -0.894 9.186 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.261 -0.905 7.419 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.829 0.544 8.357 1.00 0.00 H new ATOM 519 N ALA A 38 -12.359 3.181 7.901 1.00 0.00 N ATOM 520 CA ALA A 38 -11.603 4.427 8.021 1.00 0.00 C ATOM 521 C ALA A 38 -10.098 4.190 7.967 1.00 0.00 C ATOM 522 O ALA A 38 -9.387 4.884 7.243 1.00 0.00 O ATOM 523 CB ALA A 38 -11.980 5.136 9.304 1.00 0.00 C ATOM 0 H ALA A 38 -13.056 3.043 8.633 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.861 5.056 7.169 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.413 6.063 9.387 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.046 5.362 9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -11.752 4.494 10.155 1.00 0.00 H new ATOM 529 N GLN A 39 -9.620 3.213 8.728 1.00 0.00 N ATOM 530 CA GLN A 39 -8.206 2.859 8.713 1.00 0.00 C ATOM 531 C GLN A 39 -7.750 2.462 7.309 1.00 0.00 C ATOM 532 O GLN A 39 -6.718 2.929 6.828 1.00 0.00 O ATOM 533 CB GLN A 39 -7.934 1.721 9.689 1.00 0.00 C ATOM 534 CG GLN A 39 -6.454 1.472 9.910 1.00 0.00 C ATOM 535 CD GLN A 39 -6.182 0.473 11.010 1.00 0.00 C ATOM 536 OE1 GLN A 39 -6.949 0.356 11.962 1.00 0.00 O ATOM 537 NE2 GLN A 39 -5.079 -0.243 10.888 1.00 0.00 N ATOM 0 H GLN A 39 -10.189 2.653 9.362 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.639 3.737 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -8.405 1.949 10.645 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.398 0.809 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.009 1.113 8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.965 2.415 10.154 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.472 -0.111 10.079 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.834 -0.928 11.603 1.00 0.00 H new ATOM 546 N GLY A 40 -8.530 1.608 6.655 1.00 0.00 N ATOM 547 CA GLY A 40 -8.213 1.202 5.301 1.00 0.00 C ATOM 548 C GLY A 40 -8.343 2.353 4.326 1.00 0.00 C ATOM 549 O GLY A 40 -7.669 2.389 3.305 1.00 0.00 O ATOM 0 H GLY A 40 -9.377 1.190 7.040 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.197 0.810 5.267 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.877 0.392 4.999 1.00 0.00 H new ATOM 553 N TYR A 41 -9.205 3.304 4.654 1.00 0.00 N ATOM 554 CA TYR A 41 -9.358 4.502 3.849 1.00 0.00 C ATOM 555 C TYR A 41 -8.140 5.407 3.965 1.00 0.00 C ATOM 556 O TYR A 41 -7.764 6.072 2.998 1.00 0.00 O ATOM 557 CB TYR A 41 -10.622 5.257 4.272 1.00 0.00 C ATOM 558 CG TYR A 41 -11.847 4.907 3.458 1.00 0.00 C ATOM 559 CD1 TYR A 41 -12.033 5.450 2.194 1.00 0.00 C ATOM 560 CD2 TYR A 41 -12.813 4.038 3.945 1.00 0.00 C ATOM 561 CE1 TYR A 41 -13.144 5.136 1.439 1.00 0.00 C ATOM 562 CE2 TYR A 41 -13.929 3.718 3.194 1.00 0.00 C ATOM 563 CZ TYR A 41 -14.089 4.270 1.942 1.00 0.00 C ATOM 564 OH TYR A 41 -15.196 3.954 1.185 1.00 0.00 O ATOM 0 H TYR A 41 -9.810 3.267 5.475 1.00 0.00 H new ATOM 0 HA TYR A 41 -9.451 4.200 2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.824 5.047 5.322 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.438 6.328 4.190 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -11.295 6.130 1.795 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.691 3.605 4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -13.272 5.568 0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.671 3.039 3.587 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.765 3.330 1.682 1.00 0.00 H new ATOM 574 N THR A 42 -7.508 5.419 5.128 1.00 0.00 N ATOM 575 CA THR A 42 -6.249 6.131 5.291 1.00 0.00 C ATOM 576 C THR A 42 -5.128 5.422 4.534 1.00 0.00 C ATOM 577 O THR A 42 -4.236 6.058 3.961 1.00 0.00 O ATOM 578 CB THR A 42 -5.870 6.217 6.775 1.00 0.00 C ATOM 579 OG1 THR A 42 -7.010 6.624 7.532 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.731 7.201 6.989 1.00 0.00 C ATOM 0 H THR A 42 -7.843 4.947 5.968 1.00 0.00 H new ATOM 0 HA THR A 42 -6.379 7.136 4.888 1.00 0.00 H new ATOM 0 HB THR A 42 -5.537 5.234 7.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.883 6.378 8.472 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.481 7.244 8.049 1.00 0.00 H new ATOM 0 HG22 THR A 42 -3.858 6.876 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.036 8.190 6.648 1.00 0.00 H new ATOM 588 N LEU A 43 -5.213 4.100 4.486 1.00 0.00 N ATOM 589 CA LEU A 43 -4.167 3.297 3.884 1.00 0.00 C ATOM 590 C LEU A 43 -4.386 3.164 2.383 1.00 0.00 C ATOM 591 O LEU A 43 -3.462 2.817 1.660 1.00 0.00 O ATOM 592 CB LEU A 43 -4.103 1.903 4.541 1.00 0.00 C ATOM 593 CG LEU A 43 -3.036 1.713 5.641 1.00 0.00 C ATOM 594 CD1 LEU A 43 -3.070 2.860 6.641 1.00 0.00 C ATOM 595 CD2 LEU A 43 -3.257 0.393 6.363 1.00 0.00 C ATOM 0 H LEU A 43 -5.997 3.564 4.858 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.216 3.802 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.080 1.682 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.924 1.164 3.760 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.057 1.703 5.163 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.308 2.700 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.874 3.799 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.052 2.903 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.499 0.270 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.246 0.390 6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.185 -0.428 5.650 1.00 0.00 H new ATOM 607 N LEU A 44 -5.590 3.472 1.893 1.00 0.00 N ATOM 608 CA LEU A 44 -5.855 3.355 0.466 1.00 0.00 C ATOM 609 C LEU A 44 -5.402 4.614 -0.268 1.00 0.00 C ATOM 610 O LEU A 44 -4.796 4.524 -1.323 1.00 0.00 O ATOM 611 CB LEU A 44 -7.343 3.029 0.179 1.00 0.00 C ATOM 612 CG LEU A 44 -8.314 4.213 0.009 1.00 0.00 C ATOM 613 CD1 LEU A 44 -8.214 4.812 -1.389 1.00 0.00 C ATOM 614 CD2 LEU A 44 -9.746 3.772 0.258 1.00 0.00 C ATOM 0 H LEU A 44 -6.378 3.797 2.453 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.273 2.515 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.386 2.427 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.713 2.406 0.993 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.033 4.971 0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.911 5.645 -1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.198 5.168 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.461 4.051 -2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.416 4.623 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.015 2.991 -0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.836 3.385 1.273 1.00 0.00 H new ATOM 626 N ASP A 45 -5.658 5.786 0.306 1.00 0.00 N ATOM 627 CA ASP A 45 -5.301 7.048 -0.348 1.00 0.00 C ATOM 628 C ASP A 45 -3.794 7.228 -0.370 1.00 0.00 C ATOM 629 O ASP A 45 -3.242 7.875 -1.260 1.00 0.00 O ATOM 630 CB ASP A 45 -5.965 8.228 0.371 1.00 0.00 C ATOM 631 CG ASP A 45 -5.423 9.579 -0.075 1.00 0.00 C ATOM 632 OD1 ASP A 45 -5.735 10.004 -1.206 1.00 0.00 O ATOM 633 OD2 ASP A 45 -4.683 10.220 0.703 1.00 0.00 O ATOM 0 H ASP A 45 -6.108 5.892 1.215 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.662 7.017 -1.376 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.040 8.197 0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.818 8.121 1.446 1.00 0.00 H new ATOM 638 N PHE A 46 -3.129 6.589 0.571 1.00 0.00 N ATOM 639 CA PHE A 46 -1.681 6.601 0.624 1.00 0.00 C ATOM 640 C PHE A 46 -1.112 5.693 -0.446 1.00 0.00 C ATOM 641 O PHE A 46 -0.146 6.043 -1.124 1.00 0.00 O ATOM 642 CB PHE A 46 -1.244 6.099 2.000 1.00 0.00 C ATOM 643 CG PHE A 46 0.236 6.078 2.228 1.00 0.00 C ATOM 644 CD1 PHE A 46 0.886 7.198 2.714 1.00 0.00 C ATOM 645 CD2 PHE A 46 0.974 4.935 1.972 1.00 0.00 C ATOM 646 CE1 PHE A 46 2.246 7.180 2.938 1.00 0.00 C ATOM 647 CE2 PHE A 46 2.334 4.910 2.196 1.00 0.00 C ATOM 648 CZ PHE A 46 2.970 6.034 2.678 1.00 0.00 C ATOM 0 H PHE A 46 -3.573 6.051 1.315 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.316 7.614 0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.704 6.728 2.762 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.632 5.090 2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.322 8.096 2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.479 4.053 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.744 8.061 3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 46 2.900 4.012 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.036 6.018 2.852 1.00 0.00 H new ATOM 658 N ILE A 47 -1.727 4.545 -0.629 1.00 0.00 N ATOM 659 CA ILE A 47 -1.219 3.603 -1.595 1.00 0.00 C ATOM 660 C ILE A 47 -1.656 3.989 -3.006 1.00 0.00 C ATOM 661 O ILE A 47 -0.963 3.711 -3.977 1.00 0.00 O ATOM 662 CB ILE A 47 -1.637 2.157 -1.265 1.00 0.00 C ATOM 663 CG1 ILE A 47 -3.161 2.027 -1.260 1.00 0.00 C ATOM 664 CG2 ILE A 47 -1.061 1.762 0.086 1.00 0.00 C ATOM 665 CD1 ILE A 47 -3.670 0.650 -0.892 1.00 0.00 C ATOM 0 H ILE A 47 -2.565 4.247 -0.130 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.131 3.641 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.246 1.486 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.573 2.753 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.539 2.289 -2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.355 0.739 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.026 1.828 0.051 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.441 2.435 0.854 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.760 0.647 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.291 -0.081 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -3.326 0.390 0.109 1.00 0.00 H new ATOM 677 N GLN A 48 -2.802 4.647 -3.113 1.00 0.00 N ATOM 678 CA GLN A 48 -3.207 5.273 -4.356 1.00 0.00 C ATOM 679 C GLN A 48 -2.142 6.255 -4.816 1.00 0.00 C ATOM 680 O GLN A 48 -1.517 6.072 -5.839 1.00 0.00 O ATOM 681 CB GLN A 48 -4.527 6.024 -4.165 1.00 0.00 C ATOM 682 CG GLN A 48 -5.738 5.127 -3.979 1.00 0.00 C ATOM 683 CD GLN A 48 -5.959 4.193 -5.152 1.00 0.00 C ATOM 684 OE1 GLN A 48 -5.630 4.518 -6.292 1.00 0.00 O ATOM 685 NE2 GLN A 48 -6.519 3.028 -4.876 1.00 0.00 N ATOM 0 H GLN A 48 -3.468 4.759 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.337 4.494 -5.107 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.437 6.677 -3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.695 6.665 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.613 4.539 -3.070 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.625 5.745 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.776 2.800 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.694 2.357 -5.624 1.00 0.00 H new ATOM 694 N LYS A 49 -1.871 7.222 -3.972 1.00 0.00 N ATOM 695 CA LYS A 49 -1.095 8.406 -4.327 1.00 0.00 C ATOM 696 C LYS A 49 0.415 8.125 -4.386 1.00 0.00 C ATOM 697 O LYS A 49 1.219 9.020 -4.656 1.00 0.00 O ATOM 698 CB LYS A 49 -1.491 9.485 -3.306 1.00 0.00 C ATOM 699 CG LYS A 49 -0.498 10.601 -3.034 1.00 0.00 C ATOM 700 CD LYS A 49 -1.049 11.570 -1.984 1.00 0.00 C ATOM 701 CE LYS A 49 -1.826 10.833 -0.893 1.00 0.00 C ATOM 702 NZ LYS A 49 -2.298 11.731 0.191 1.00 0.00 N ATOM 0 H LYS A 49 -2.185 7.216 -3.001 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.320 8.746 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.422 9.940 -3.644 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -1.704 8.988 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.445 10.179 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.286 11.139 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.227 12.126 -1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.700 12.299 -2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.684 10.332 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.192 10.057 -0.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.206 11.383 0.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.596 11.748 0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.423 12.693 -0.185 1.00 0.00 H new ATOM 716 N HIS A 50 0.822 6.883 -4.136 1.00 0.00 N ATOM 717 CA HIS A 50 2.194 6.515 -4.491 1.00 0.00 C ATOM 718 C HIS A 50 2.284 5.397 -5.540 1.00 0.00 C ATOM 719 O HIS A 50 3.387 5.028 -5.941 1.00 0.00 O ATOM 720 CB HIS A 50 2.978 6.133 -3.229 1.00 0.00 C ATOM 721 CG HIS A 50 2.931 7.207 -2.185 1.00 0.00 C ATOM 722 ND1 HIS A 50 3.301 8.500 -2.445 1.00 0.00 N ATOM 723 CD2 HIS A 50 2.491 7.195 -0.907 1.00 0.00 C ATOM 724 CE1 HIS A 50 3.090 9.240 -1.379 1.00 0.00 C ATOM 725 NE2 HIS A 50 2.594 8.479 -0.427 1.00 0.00 N ATOM 0 H HIS A 50 0.258 6.147 -3.712 1.00 0.00 H new ATOM 0 HA HIS A 50 2.640 7.395 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.571 5.210 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.016 5.933 -3.495 1.00 0.00 H new ATOM 0 HD2 HIS A 50 2.126 6.336 -0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.291 10.298 -1.298 1.00 0.00 H new ATOM 0 HE2 HIS A 50 2.331 8.789 0.508 1.00 0.00 H new ATOM 734 N LEU A 51 1.151 4.861 -5.994 1.00 0.00 N ATOM 735 CA LEU A 51 1.175 3.830 -7.047 1.00 0.00 C ATOM 736 C LEU A 51 0.299 4.199 -8.243 1.00 0.00 C ATOM 737 O LEU A 51 0.636 3.905 -9.390 1.00 0.00 O ATOM 738 CB LEU A 51 0.690 2.469 -6.529 1.00 0.00 C ATOM 739 CG LEU A 51 1.621 1.707 -5.569 1.00 0.00 C ATOM 740 CD1 LEU A 51 3.022 1.589 -6.142 1.00 0.00 C ATOM 741 CD2 LEU A 51 1.661 2.361 -4.206 1.00 0.00 C ATOM 0 H LEU A 51 0.220 5.113 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 51 2.218 3.767 -7.357 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.264 2.621 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.497 1.829 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 51 1.214 0.703 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.657 1.046 -5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.984 1.051 -7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.433 2.585 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.327 1.798 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.026 3.383 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.658 2.373 -3.779 1.00 0.00 H new ATOM 753 N ASN A 52 -0.834 4.814 -7.967 1.00 0.00 N ATOM 754 CA ASN A 52 -1.885 5.001 -8.965 1.00 0.00 C ATOM 755 C ASN A 52 -2.336 6.457 -9.064 1.00 0.00 C ATOM 756 O ASN A 52 -2.919 6.863 -10.066 1.00 0.00 O ATOM 757 CB ASN A 52 -3.071 4.105 -8.611 1.00 0.00 C ATOM 758 CG ASN A 52 -3.117 2.827 -9.435 1.00 0.00 C ATOM 759 OD1 ASN A 52 -1.962 2.349 -9.874 1.00 0.00 O flip ATOM 760 ND2 ASN A 52 -4.190 2.277 -9.684 1.00 0.00 N flip ATOM 0 H ASN A 52 -1.058 5.199 -7.050 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.481 4.727 -9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.021 3.847 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.997 4.661 -8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.061 2.673 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.208 1.425 -10.245 1.00 0.00 H new ATOM 767 N LYS A 53 -2.070 7.228 -8.028 1.00 0.00 N ATOM 768 CA LYS A 53 -2.356 8.648 -8.022 1.00 0.00 C ATOM 769 C LYS A 53 -1.049 9.421 -8.101 1.00 0.00 C ATOM 770 O LYS A 53 -0.779 10.019 -9.164 1.00 0.00 O ATOM 771 CB LYS A 53 -3.119 9.047 -6.753 1.00 0.00 C ATOM 772 CG LYS A 53 -4.585 9.360 -6.987 1.00 0.00 C ATOM 773 CD LYS A 53 -5.201 10.046 -5.771 1.00 0.00 C ATOM 774 CE LYS A 53 -5.731 9.045 -4.762 1.00 0.00 C ATOM 775 NZ LYS A 53 -6.512 9.702 -3.680 1.00 0.00 N ATOM 776 OXT LYS A 53 -0.275 9.387 -7.130 1.00 0.00 O ATOM 0 H LYS A 53 -1.648 6.886 -7.165 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.981 8.884 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.042 8.239 -6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.638 9.920 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.688 10.002 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.127 8.439 -7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.453 10.680 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.012 10.698 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.361 8.316 -5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.897 8.496 -4.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.901 9.849 -2.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.866 10.620 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.315 9.097 -3.415 1.00 0.00 H new TER 790 LYS A 53 HETATM 791 N FME B 1 8.816 7.090 13.308 1.00 0.00 N HETATM 792 CN FME B 1 7.817 7.879 12.950 1.00 0.00 C HETATM 793 O1 FME B 1 7.634 8.978 13.468 1.00 0.00 O HETATM 794 CA FME B 1 9.014 5.797 12.674 1.00 0.00 C HETATM 795 CB FME B 1 10.410 5.720 12.060 1.00 0.00 C HETATM 796 CG FME B 1 10.571 4.590 11.058 1.00 0.00 C HETATM 797 SD FME B 1 12.170 4.633 10.230 1.00 0.00 S HETATM 798 CE FME B 1 11.905 3.435 8.928 1.00 0.00 C HETATM 799 C FME B 1 8.827 4.678 13.688 1.00 0.00 C HETATM 800 O FME B 1 9.724 4.379 14.474 1.00 0.00 O HETATM 0 HG3 FME B 1 10.455 3.635 11.570 1.00 0.00 H new HETATM 0 HG2 FME B 1 9.777 4.652 10.314 1.00 0.00 H new HETATM 0 HE3 FME B 1 12.847 2.940 8.691 1.00 0.00 H new HETATM 0 HE2 FME B 1 11.179 2.693 9.259 1.00 0.00 H new HETATM 0 HE1 FME B 1 11.528 3.941 8.039 1.00 0.00 H new HETATM 0 HCN FME B 1 7.134 7.543 12.170 1.00 0.00 H new HETATM 0 HB3 FME B 1 10.634 6.666 11.567 1.00 0.00 H new HETATM 0 HB2 FME B 1 11.142 5.595 12.857 1.00 0.00 H new HETATM 0 HA FME B 1 8.274 5.680 11.883 1.00 0.00 H new HETATM 0 H FME B 1 9.458 7.393 14.040 1.00 0.00 H new ATOM 811 N VAL B 2 7.651 4.074 13.677 1.00 0.00 N ATOM 812 CA VAL B 2 7.340 3.001 14.610 1.00 0.00 C ATOM 813 C VAL B 2 7.334 1.651 13.882 1.00 0.00 C ATOM 814 O VAL B 2 6.926 0.624 14.426 1.00 0.00 O ATOM 815 CB VAL B 2 5.974 3.257 15.299 1.00 0.00 C ATOM 816 CG1 VAL B 2 4.826 3.105 14.312 1.00 0.00 C ATOM 817 CG2 VAL B 2 5.784 2.354 16.512 1.00 0.00 C ATOM 0 H VAL B 2 6.895 4.307 13.033 1.00 0.00 H new ATOM 0 HA VAL B 2 8.110 2.976 15.381 1.00 0.00 H new ATOM 0 HB VAL B 2 5.972 4.287 15.656 1.00 0.00 H new ATOM 0 HG11 VAL B 2 3.881 3.290 14.822 1.00 0.00 H new ATOM 0 HG12 VAL B 2 4.947 3.822 13.500 1.00 0.00 H new ATOM 0 HG13 VAL B 2 4.827 2.094 13.906 1.00 0.00 H new ATOM 0 HG21 VAL B 2 4.817 2.560 16.971 1.00 0.00 H new ATOM 0 HG22 VAL B 2 5.822 1.311 16.199 1.00 0.00 H new ATOM 0 HG23 VAL B 2 6.577 2.545 17.235 1.00 0.00 H new ATOM 827 N ILE B 3 7.816 1.657 12.649 1.00 0.00 N ATOM 828 CA ILE B 3 7.824 0.454 11.834 1.00 0.00 C ATOM 829 C ILE B 3 9.033 0.443 10.906 1.00 0.00 C ATOM 830 O ILE B 3 9.446 1.485 10.398 1.00 0.00 O ATOM 831 CB ILE B 3 6.522 0.327 11.000 1.00 0.00 C ATOM 832 CG1 ILE B 3 6.433 -1.057 10.347 1.00 0.00 C ATOM 833 CG2 ILE B 3 6.444 1.425 9.940 1.00 0.00 C ATOM 834 CD1 ILE B 3 5.124 -1.308 9.631 1.00 0.00 C ATOM 0 H ILE B 3 8.206 2.481 12.192 1.00 0.00 H new ATOM 0 HA ILE B 3 7.883 -0.399 12.510 1.00 0.00 H new ATOM 0 HB ILE B 3 5.675 0.446 11.675 1.00 0.00 H new ATOM 0 HG12 ILE B 3 7.252 -1.167 9.637 1.00 0.00 H new ATOM 0 HG13 ILE B 3 6.570 -1.820 11.113 1.00 0.00 H new ATOM 0 HG21 ILE B 3 5.522 1.314 9.369 1.00 0.00 H new ATOM 0 HG22 ILE B 3 6.455 2.401 10.425 1.00 0.00 H new ATOM 0 HG23 ILE B 3 7.299 1.344 9.269 1.00 0.00 H new ATOM 0 HD11 ILE B 3 5.134 -2.307 9.194 1.00 0.00 H new ATOM 0 HD12 ILE B 3 4.300 -1.231 10.341 1.00 0.00 H new ATOM 0 HD13 ILE B 3 4.993 -0.568 8.842 1.00 0.00 H new ATOM 846 N ALA B 4 9.620 -0.730 10.727 1.00 0.00 N ATOM 847 CA ALA B 4 10.695 -0.908 9.770 1.00 0.00 C ATOM 848 C ALA B 4 10.303 -1.966 8.749 1.00 0.00 C ATOM 849 O ALA B 4 9.393 -2.762 8.984 1.00 0.00 O ATOM 850 CB ALA B 4 11.985 -1.296 10.479 1.00 0.00 C ATOM 0 H ALA B 4 9.366 -1.576 11.237 1.00 0.00 H new ATOM 0 HA ALA B 4 10.868 0.035 9.252 1.00 0.00 H new ATOM 0 HB1 ALA B 4 12.780 -1.425 9.744 1.00 0.00 H new ATOM 0 HB2 ALA B 4 12.264 -0.511 11.181 1.00 0.00 H new ATOM 0 HB3 ALA B 4 11.836 -2.230 11.020 1.00 0.00 H new ATOM 856 N THR B 5 10.992 -1.969 7.615 1.00 0.00 N ATOM 857 CA THR B 5 10.704 -2.905 6.536 1.00 0.00 C ATOM 858 C THR B 5 10.984 -4.345 6.971 1.00 0.00 C ATOM 859 O THR B 5 10.530 -5.299 6.345 1.00 0.00 O ATOM 860 CB THR B 5 11.546 -2.561 5.291 1.00 0.00 C ATOM 861 OG1 THR B 5 11.498 -1.145 5.062 1.00 0.00 O ATOM 862 CG2 THR B 5 11.034 -3.289 4.056 1.00 0.00 C ATOM 0 H THR B 5 11.760 -1.328 7.418 1.00 0.00 H new ATOM 0 HA THR B 5 9.646 -2.819 6.288 1.00 0.00 H new ATOM 0 HB THR B 5 12.572 -2.881 5.474 1.00 0.00 H new ATOM 0 HG1 THR B 5 12.034 -0.923 4.272 1.00 0.00 H new ATOM 0 HG21 THR B 5 11.650 -3.024 3.196 1.00 0.00 H new ATOM 0 HG22 THR B 5 11.085 -4.365 4.221 1.00 0.00 H new ATOM 0 HG23 THR B 5 10.001 -2.999 3.865 1.00 0.00 H new ATOM 870 N ASP B 6 11.686 -4.488 8.088 1.00 0.00 N ATOM 871 CA ASP B 6 12.067 -5.798 8.594 1.00 0.00 C ATOM 872 C ASP B 6 10.922 -6.430 9.377 1.00 0.00 C ATOM 873 O ASP B 6 11.017 -7.578 9.808 1.00 0.00 O ATOM 874 CB ASP B 6 13.301 -5.684 9.497 1.00 0.00 C ATOM 875 CG ASP B 6 14.528 -5.175 8.767 1.00 0.00 C ATOM 876 OD1 ASP B 6 14.701 -3.942 8.676 1.00 0.00 O ATOM 877 OD2 ASP B 6 15.331 -6.007 8.295 1.00 0.00 O ATOM 0 H ASP B 6 12.004 -3.708 8.663 1.00 0.00 H new ATOM 0 HA ASP B 6 12.303 -6.432 7.739 1.00 0.00 H new ATOM 0 HB2 ASP B 6 13.076 -5.014 10.327 1.00 0.00 H new ATOM 0 HB3 ASP B 6 13.521 -6.661 9.927 1.00 0.00 H new ATOM 882 N ASP B 7 9.845 -5.673 9.577 1.00 0.00 N ATOM 883 CA ASP B 7 8.668 -6.198 10.268 1.00 0.00 C ATOM 884 C ASP B 7 7.564 -6.541 9.278 1.00 0.00 C ATOM 885 O ASP B 7 6.525 -7.081 9.652 1.00 0.00 O ATOM 886 CB ASP B 7 8.130 -5.164 11.266 1.00 0.00 C ATOM 887 CG ASP B 7 9.165 -4.713 12.274 1.00 0.00 C ATOM 888 OD1 ASP B 7 9.276 -5.341 13.346 1.00 0.00 O ATOM 889 OD2 ASP B 7 9.873 -3.720 12.007 1.00 0.00 O ATOM 0 H ASP B 7 9.762 -4.703 9.274 1.00 0.00 H new ATOM 0 HA ASP B 7 8.971 -7.102 10.797 1.00 0.00 H new ATOM 0 HB2 ASP B 7 7.764 -4.296 10.718 1.00 0.00 H new ATOM 0 HB3 ASP B 7 7.278 -5.589 11.796 1.00 0.00 H new ATOM 894 N LEU B 8 7.791 -6.228 8.011 1.00 0.00 N ATOM 895 CA LEU B 8 6.822 -6.539 6.967 1.00 0.00 C ATOM 896 C LEU B 8 7.420 -7.493 5.946 1.00 0.00 C ATOM 897 O LEU B 8 6.707 -8.277 5.313 1.00 0.00 O ATOM 898 CB LEU B 8 6.356 -5.259 6.271 1.00 0.00 C ATOM 899 CG LEU B 8 5.574 -4.287 7.152 1.00 0.00 C ATOM 900 CD1 LEU B 8 5.228 -3.027 6.376 1.00 0.00 C ATOM 901 CD2 LEU B 8 4.310 -4.946 7.676 1.00 0.00 C ATOM 0 H LEU B 8 8.635 -5.760 7.680 1.00 0.00 H new ATOM 0 HA LEU B 8 5.963 -7.020 7.435 1.00 0.00 H new ATOM 0 HB2 LEU B 8 7.229 -4.742 5.874 1.00 0.00 H new ATOM 0 HB3 LEU B 8 5.734 -5.534 5.419 1.00 0.00 H new ATOM 0 HG LEU B 8 6.200 -4.011 8.001 1.00 0.00 H new ATOM 0 HD11 LEU B 8 4.671 -2.345 7.019 1.00 0.00 H new ATOM 0 HD12 LEU B 8 6.145 -2.542 6.042 1.00 0.00 H new ATOM 0 HD13 LEU B 8 4.619 -3.288 5.510 1.00 0.00 H new ATOM 0 HD21 LEU B 8 3.764 -4.240 8.302 1.00 0.00 H new ATOM 0 HD22 LEU B 8 3.682 -5.248 6.837 1.00 0.00 H new ATOM 0 HD23 LEU B 8 4.575 -5.824 8.265 1.00 0.00 H new ATOM 913 N GLU B 9 8.735 -7.445 5.823 1.00 0.00 N ATOM 914 CA GLU B 9 9.443 -8.247 4.847 1.00 0.00 C ATOM 915 C GLU B 9 10.695 -8.835 5.469 1.00 0.00 C ATOM 916 O GLU B 9 11.324 -8.218 6.328 1.00 0.00 O ATOM 917 CB GLU B 9 9.818 -7.411 3.623 1.00 0.00 C ATOM 918 CG GLU B 9 8.620 -6.888 2.854 1.00 0.00 C ATOM 919 CD GLU B 9 9.017 -6.045 1.663 1.00 0.00 C ATOM 920 OE1 GLU B 9 10.103 -5.433 1.698 1.00 0.00 O ATOM 921 OE2 GLU B 9 8.249 -6.004 0.681 1.00 0.00 O ATOM 0 H GLU B 9 9.337 -6.852 6.394 1.00 0.00 H new ATOM 0 HA GLU B 9 8.784 -9.054 4.526 1.00 0.00 H new ATOM 0 HB2 GLU B 9 10.430 -6.568 3.943 1.00 0.00 H new ATOM 0 HB3 GLU B 9 10.432 -8.015 2.955 1.00 0.00 H new ATOM 0 HG2 GLU B 9 8.016 -7.729 2.514 1.00 0.00 H new ATOM 0 HG3 GLU B 9 7.995 -6.295 3.522 1.00 0.00 H new ATOM 928 N VAL B 10 11.037 -10.027 5.042 1.00 0.00 N ATOM 929 CA VAL B 10 12.232 -10.694 5.508 1.00 0.00 C ATOM 930 C VAL B 10 13.041 -11.170 4.307 1.00 0.00 C ATOM 931 O VAL B 10 12.477 -11.629 3.311 1.00 0.00 O ATOM 932 CB VAL B 10 11.880 -11.880 6.442 1.00 0.00 C ATOM 933 CG1 VAL B 10 10.899 -12.836 5.779 1.00 0.00 C ATOM 934 CG2 VAL B 10 13.133 -12.621 6.883 1.00 0.00 C ATOM 0 H VAL B 10 10.496 -10.562 4.363 1.00 0.00 H new ATOM 0 HA VAL B 10 12.829 -9.990 6.088 1.00 0.00 H new ATOM 0 HB VAL B 10 11.399 -11.465 7.328 1.00 0.00 H new ATOM 0 HG11 VAL B 10 10.673 -13.656 6.461 1.00 0.00 H new ATOM 0 HG12 VAL B 10 9.980 -12.303 5.535 1.00 0.00 H new ATOM 0 HG13 VAL B 10 11.340 -13.234 4.865 1.00 0.00 H new ATOM 0 HG21 VAL B 10 12.856 -13.448 7.537 1.00 0.00 H new ATOM 0 HG22 VAL B 10 13.653 -13.010 6.007 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.790 -11.937 7.421 1.00 0.00 H new ATOM 944 N ALA B 11 14.352 -11.030 4.388 1.00 0.00 N ATOM 945 CA ALA B 11 15.226 -11.396 3.287 1.00 0.00 C ATOM 946 C ALA B 11 15.156 -12.895 3.016 1.00 0.00 C ATOM 947 O ALA B 11 15.170 -13.706 3.943 1.00 0.00 O ATOM 948 CB ALA B 11 16.641 -10.965 3.627 1.00 0.00 C ATOM 0 H ALA B 11 14.837 -10.664 5.208 1.00 0.00 H new ATOM 0 HA ALA B 11 14.904 -10.890 2.377 1.00 0.00 H new ATOM 0 HB1 ALA B 11 17.310 -11.233 2.809 1.00 0.00 H new ATOM 0 HB2 ALA B 11 16.666 -9.886 3.777 1.00 0.00 H new ATOM 0 HB3 ALA B 11 16.965 -11.466 4.539 1.00 0.00 H new ATOM 954 N CYS B 12 15.055 -13.250 1.734 1.00 0.00 N ATOM 955 CA CYS B 12 14.761 -14.611 1.304 1.00 0.00 C ATOM 956 C CYS B 12 15.892 -15.598 1.637 1.00 0.00 C ATOM 957 O CYS B 12 17.033 -15.177 1.770 1.00 0.00 O ATOM 958 CB CYS B 12 14.504 -14.568 -0.209 1.00 0.00 C ATOM 959 SG CYS B 12 14.324 -16.174 -1.012 1.00 0.00 S ATOM 0 H CYS B 12 15.176 -12.594 0.962 1.00 0.00 H new ATOM 0 HA CYS B 12 13.886 -14.975 1.843 1.00 0.00 H new ATOM 0 HB2 CYS B 12 13.599 -13.987 -0.390 1.00 0.00 H new ATOM 0 HB3 CYS B 12 15.326 -14.034 -0.685 1.00 0.00 H new ATOM 964 N PRO B 13 15.597 -16.912 1.768 1.00 0.00 N ATOM 965 CA PRO B 13 16.603 -17.953 2.055 1.00 0.00 C ATOM 966 C PRO B 13 17.967 -17.747 1.379 1.00 0.00 C ATOM 967 O PRO B 13 19.013 -18.032 1.972 1.00 0.00 O ATOM 968 CB PRO B 13 15.933 -19.200 1.482 1.00 0.00 C ATOM 969 CG PRO B 13 14.477 -18.995 1.715 1.00 0.00 C ATOM 970 CD PRO B 13 14.246 -17.498 1.676 1.00 0.00 C ATOM 0 HA PRO B 13 16.847 -17.977 3.117 1.00 0.00 H new ATOM 0 HB2 PRO B 13 16.151 -19.313 0.420 1.00 0.00 H new ATOM 0 HB3 PRO B 13 16.289 -20.103 1.978 1.00 0.00 H new ATOM 0 HG2 PRO B 13 13.886 -19.499 0.950 1.00 0.00 H new ATOM 0 HG3 PRO B 13 14.175 -19.410 2.677 1.00 0.00 H new ATOM 0 HD2 PRO B 13 13.745 -17.198 0.756 1.00 0.00 H new ATOM 0 HD3 PRO B 13 13.615 -17.172 2.503 1.00 0.00 H new ATOM 978 N LYS B 14 17.962 -17.217 0.154 1.00 0.00 N ATOM 979 CA LYS B 14 19.168 -17.253 -0.667 1.00 0.00 C ATOM 980 C LYS B 14 19.346 -16.044 -1.592 1.00 0.00 C ATOM 981 O LYS B 14 20.474 -15.680 -1.912 1.00 0.00 O ATOM 982 CB LYS B 14 19.165 -18.537 -1.503 1.00 0.00 C ATOM 983 CG LYS B 14 20.320 -18.641 -2.492 1.00 0.00 C ATOM 984 CD LYS B 14 20.196 -19.882 -3.372 1.00 0.00 C ATOM 985 CE LYS B 14 21.262 -19.909 -4.463 1.00 0.00 C ATOM 986 NZ LYS B 14 22.635 -20.053 -3.907 1.00 0.00 N ATOM 0 H LYS B 14 17.156 -16.769 -0.281 1.00 0.00 H new ATOM 0 HA LYS B 14 20.009 -17.224 0.026 1.00 0.00 H new ATOM 0 HB2 LYS B 14 19.198 -19.395 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS B 14 18.225 -18.598 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS B 14 20.344 -17.750 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS B 14 21.264 -18.673 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS B 14 20.284 -20.776 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS B 14 19.207 -19.907 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS B 14 21.060 -20.735 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS B 14 21.204 -18.991 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 23.324 -20.083 -4.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 22.846 -19.243 -3.290 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 22.696 -20.933 -3.356 1.00 0.00 H new ATOM 1000 N CYS B 15 18.268 -15.406 -2.053 1.00 0.00 N ATOM 1001 CA CYS B 15 18.439 -14.410 -3.115 1.00 0.00 C ATOM 1002 C CYS B 15 18.021 -12.992 -2.724 1.00 0.00 C ATOM 1003 O CYS B 15 17.407 -12.277 -3.534 1.00 0.00 O ATOM 1004 CB CYS B 15 17.591 -14.825 -4.302 1.00 0.00 C ATOM 1005 SG CYS B 15 15.858 -15.131 -3.885 1.00 0.00 S ATOM 0 H CYS B 15 17.312 -15.549 -1.728 1.00 0.00 H new ATOM 0 HA CYS B 15 19.506 -14.381 -3.337 1.00 0.00 H new ATOM 0 HB2 CYS B 15 17.640 -14.046 -5.063 1.00 0.00 H new ATOM 0 HB3 CYS B 15 18.015 -15.728 -4.742 1.00 0.00 H new ATOM 1010 N GLU B 16 18.451 -12.541 -1.567 1.00 0.00 N ATOM 1011 CA GLU B 16 18.029 -11.252 -1.035 1.00 0.00 C ATOM 1012 C GLU B 16 18.961 -10.156 -1.487 1.00 0.00 C ATOM 1013 O GLU B 16 19.070 -9.115 -0.841 1.00 0.00 O ATOM 1014 CB GLU B 16 18.047 -11.286 0.495 1.00 0.00 C ATOM 1015 CG GLU B 16 18.291 -12.657 1.088 1.00 0.00 C ATOM 1016 CD GLU B 16 19.767 -12.984 1.172 1.00 0.00 C ATOM 1017 OE1 GLU B 16 20.350 -13.361 0.139 1.00 0.00 O ATOM 1018 OE2 GLU B 16 20.356 -12.848 2.270 1.00 0.00 O ATOM 0 H GLU B 16 19.100 -13.050 -0.966 1.00 0.00 H new ATOM 0 HA GLU B 16 17.022 -11.055 -1.402 1.00 0.00 H new ATOM 0 HB2 GLU B 16 18.821 -10.606 0.852 1.00 0.00 H new ATOM 0 HB3 GLU B 16 17.094 -10.908 0.866 1.00 0.00 H new ATOM 0 HG2 GLU B 16 17.852 -12.704 2.085 1.00 0.00 H new ATOM 0 HG3 GLU B 16 17.787 -13.409 0.481 1.00 0.00 H new ATOM 1025 N ARG B 17 19.634 -10.375 -2.599 1.00 0.00 N ATOM 1026 CA ARG B 17 20.633 -9.444 -3.053 1.00 0.00 C ATOM 1027 C ARG B 17 20.641 -9.489 -4.579 1.00 0.00 C ATOM 1028 O ARG B 17 21.077 -8.552 -5.243 1.00 0.00 O ATOM 1029 CB ARG B 17 22.030 -9.754 -2.491 1.00 0.00 C ATOM 1030 CG ARG B 17 22.663 -11.041 -3.003 1.00 0.00 C ATOM 1031 CD ARG B 17 22.210 -12.266 -2.221 1.00 0.00 C ATOM 1032 NE ARG B 17 23.057 -13.420 -2.513 1.00 0.00 N ATOM 1033 CZ ARG B 17 23.318 -14.400 -1.649 1.00 0.00 C ATOM 1034 NH1 ARG B 17 22.681 -14.461 -0.485 1.00 0.00 N ATOM 1035 NH2 ARG B 17 24.192 -15.347 -1.973 1.00 0.00 N ATOM 0 H ARG B 17 19.504 -11.189 -3.200 1.00 0.00 H new ATOM 0 HA ARG B 17 20.383 -8.447 -2.691 1.00 0.00 H new ATOM 0 HB2 ARG B 17 22.693 -8.922 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG B 17 21.963 -9.808 -1.404 1.00 0.00 H new ATOM 0 HG2 ARG B 17 22.411 -11.172 -4.055 1.00 0.00 H new ATOM 0 HG3 ARG B 17 23.748 -10.957 -2.943 1.00 0.00 H new ATOM 0 HD2 ARG B 17 22.239 -12.051 -1.153 1.00 0.00 H new ATOM 0 HD3 ARG B 17 21.175 -12.498 -2.471 1.00 0.00 H new ATOM 0 HE ARG B 17 23.477 -13.479 -3.441 1.00 0.00 H new ATOM 0 HH11 ARG B 17 21.986 -13.754 -0.247 1.00 0.00 H new ATOM 0 HH12 ARG B 17 22.887 -15.215 0.170 1.00 0.00 H new ATOM 0 HH21 ARG B 17 24.659 -15.321 -2.879 1.00 0.00 H new ATOM 0 HH22 ARG B 17 24.396 -16.100 -1.315 1.00 0.00 H new ATOM 1049 N ALA B 18 20.124 -10.606 -5.124 1.00 0.00 N ATOM 1050 CA ALA B 18 20.234 -10.880 -6.557 1.00 0.00 C ATOM 1051 C ALA B 18 18.878 -10.888 -7.252 1.00 0.00 C ATOM 1052 O ALA B 18 18.739 -10.384 -8.364 1.00 0.00 O ATOM 1053 CB ALA B 18 20.945 -12.205 -6.786 1.00 0.00 C ATOM 0 H ALA B 18 19.631 -11.324 -4.593 1.00 0.00 H new ATOM 0 HA ALA B 18 20.818 -10.071 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA B 18 21.020 -12.397 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA B 18 21.945 -12.161 -6.354 1.00 0.00 H new ATOM 0 HB3 ALA B 18 20.380 -13.008 -6.312 1.00 0.00 H new ATOM 1059 N GLY B 19 17.881 -11.466 -6.595 1.00 0.00 N ATOM 1060 CA GLY B 19 16.555 -11.517 -7.177 1.00 0.00 C ATOM 1061 C GLY B 19 16.293 -12.797 -7.953 1.00 0.00 C ATOM 1062 O GLY B 19 15.273 -12.922 -8.622 1.00 0.00 O ATOM 0 H GLY B 19 17.966 -11.898 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY B 19 15.813 -11.422 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY B 19 16.423 -10.663 -7.841 1.00 0.00 H new ATOM 1066 N GLU B 20 17.179 -13.772 -7.802 1.00 0.00 N ATOM 1067 CA GLU B 20 17.092 -15.020 -8.559 1.00 0.00 C ATOM 1068 C GLU B 20 17.689 -16.154 -7.763 1.00 0.00 C ATOM 1069 O GLU B 20 18.406 -15.935 -6.789 1.00 0.00 O ATOM 1070 CB GLU B 20 17.825 -14.952 -9.902 1.00 0.00 C ATOM 1071 CG GLU B 20 19.155 -14.219 -9.829 1.00 0.00 C ATOM 1072 CD GLU B 20 19.977 -14.367 -11.090 1.00 0.00 C ATOM 1073 OE1 GLU B 20 20.566 -15.447 -11.294 1.00 0.00 O ATOM 1074 OE2 GLU B 20 20.058 -13.397 -11.871 1.00 0.00 O ATOM 0 H GLU B 20 17.970 -13.725 -7.160 1.00 0.00 H new ATOM 0 HA GLU B 20 16.032 -15.186 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU B 20 17.997 -15.965 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU B 20 17.185 -14.456 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU B 20 18.971 -13.161 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU B 20 19.727 -14.597 -8.982 1.00 0.00 H new ATOM 1081 N ILE B 21 17.398 -17.357 -8.198 1.00 0.00 N ATOM 1082 CA ILE B 21 17.985 -18.550 -7.640 1.00 0.00 C ATOM 1083 C ILE B 21 18.160 -19.542 -8.770 1.00 0.00 C ATOM 1084 O ILE B 21 17.200 -19.865 -9.462 1.00 0.00 O ATOM 1085 CB ILE B 21 17.139 -19.155 -6.484 1.00 0.00 C ATOM 1086 CG1 ILE B 21 17.234 -18.243 -5.248 1.00 0.00 C ATOM 1087 CG2 ILE B 21 17.608 -20.569 -6.161 1.00 0.00 C ATOM 1088 CD1 ILE B 21 16.560 -18.770 -3.993 1.00 0.00 C ATOM 0 H ILE B 21 16.740 -17.536 -8.957 1.00 0.00 H new ATOM 0 HA ILE B 21 18.946 -18.300 -7.191 1.00 0.00 H new ATOM 0 HB ILE B 21 16.096 -19.217 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE B 21 18.287 -18.068 -5.028 1.00 0.00 H new ATOM 0 HG13 ILE B 21 16.795 -17.277 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE B 21 17.004 -20.976 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE B 21 17.501 -21.199 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE B 21 18.655 -20.545 -5.858 1.00 0.00 H new ATOM 0 HD11 ILE B 21 16.686 -18.052 -3.183 1.00 0.00 H new ATOM 0 HD12 ILE B 21 15.497 -18.917 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE B 21 17.012 -19.720 -3.709 1.00 0.00 H new ATOM 1100 N GLU B 22 19.391 -19.994 -8.962 1.00 0.00 N ATOM 1101 CA GLU B 22 19.742 -20.809 -10.118 1.00 0.00 C ATOM 1102 C GLU B 22 19.367 -20.095 -11.420 1.00 0.00 C ATOM 1103 O GLU B 22 18.755 -20.689 -12.309 1.00 0.00 O ATOM 1104 CB GLU B 22 19.014 -22.144 -10.024 1.00 0.00 C ATOM 1105 CG GLU B 22 19.893 -23.352 -10.301 1.00 0.00 C ATOM 1106 CD GLU B 22 20.419 -23.401 -11.721 1.00 0.00 C ATOM 1107 OE1 GLU B 22 19.746 -23.999 -12.588 1.00 0.00 O ATOM 1108 OE2 GLU B 22 21.511 -22.858 -11.977 1.00 0.00 O ATOM 0 H GLU B 22 20.168 -19.809 -8.328 1.00 0.00 H new ATOM 0 HA GLU B 22 20.819 -20.976 -10.123 1.00 0.00 H new ATOM 0 HB2 GLU B 22 18.585 -22.242 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU B 22 18.184 -22.143 -10.730 1.00 0.00 H new ATOM 0 HG2 GLU B 22 20.736 -23.345 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU B 22 19.324 -24.260 -10.101 1.00 0.00 H new ATOM 1115 N GLY B 23 19.713 -18.813 -11.518 1.00 0.00 N ATOM 1116 CA GLY B 23 19.376 -18.022 -12.696 1.00 0.00 C ATOM 1117 C GLY B 23 17.891 -17.991 -13.020 1.00 0.00 C ATOM 1118 O GLY B 23 17.502 -17.564 -14.110 1.00 0.00 O ATOM 0 H GLY B 23 20.225 -18.303 -10.798 1.00 0.00 H new ATOM 0 HA2 GLY B 23 19.725 -17.000 -12.546 1.00 0.00 H new ATOM 0 HA3 GLY B 23 19.916 -18.421 -13.555 1.00 0.00 H new ATOM 1122 N THR B 24 17.061 -18.436 -12.094 1.00 0.00 N ATOM 1123 CA THR B 24 15.641 -18.565 -12.365 1.00 0.00 C ATOM 1124 C THR B 24 14.804 -17.756 -11.368 1.00 0.00 C ATOM 1125 O THR B 24 15.246 -17.496 -10.241 1.00 0.00 O ATOM 1126 CB THR B 24 15.258 -20.065 -12.350 1.00 0.00 C ATOM 1127 OG1 THR B 24 14.327 -20.355 -13.403 1.00 0.00 O ATOM 1128 CG2 THR B 24 14.658 -20.510 -11.017 1.00 0.00 C ATOM 0 H THR B 24 17.343 -18.713 -11.154 1.00 0.00 H new ATOM 0 HA THR B 24 15.426 -18.155 -13.352 1.00 0.00 H new ATOM 0 HB THR B 24 16.184 -20.620 -12.500 1.00 0.00 H new ATOM 0 HG1 THR B 24 14.096 -21.307 -13.382 1.00 0.00 H new ATOM 0 HG21 THR B 24 14.409 -21.570 -11.066 1.00 0.00 H new ATOM 0 HG22 THR B 24 15.381 -20.344 -10.219 1.00 0.00 H new ATOM 0 HG23 THR B 24 13.755 -19.934 -10.814 1.00 0.00 H new ATOM 1136 N PRO B 25 13.597 -17.314 -11.794 1.00 0.00 N ATOM 1137 CA PRO B 25 12.671 -16.560 -10.942 1.00 0.00 C ATOM 1138 C PRO B 25 12.368 -17.308 -9.651 1.00 0.00 C ATOM 1139 O PRO B 25 11.824 -18.412 -9.660 1.00 0.00 O ATOM 1140 CB PRO B 25 11.405 -16.411 -11.800 1.00 0.00 C ATOM 1141 CG PRO B 25 11.553 -17.431 -12.876 1.00 0.00 C ATOM 1142 CD PRO B 25 13.030 -17.523 -13.135 1.00 0.00 C ATOM 0 HA PRO B 25 13.085 -15.600 -10.634 1.00 0.00 H new ATOM 0 HB2 PRO B 25 10.505 -16.585 -11.211 1.00 0.00 H new ATOM 0 HB3 PRO B 25 11.324 -15.406 -12.215 1.00 0.00 H new ATOM 0 HG2 PRO B 25 11.148 -18.394 -12.564 1.00 0.00 H new ATOM 0 HG3 PRO B 25 11.014 -17.135 -13.776 1.00 0.00 H new ATOM 0 HD2 PRO B 25 13.311 -18.492 -13.549 1.00 0.00 H new ATOM 0 HD3 PRO B 25 13.367 -16.765 -13.842 1.00 0.00 H new ATOM 1150 N CYS B 26 12.725 -16.681 -8.547 1.00 0.00 N ATOM 1151 CA CYS B 26 12.721 -17.330 -7.249 1.00 0.00 C ATOM 1152 C CYS B 26 11.304 -17.540 -6.700 1.00 0.00 C ATOM 1153 O CYS B 26 10.453 -16.662 -6.819 1.00 0.00 O ATOM 1154 CB CYS B 26 13.548 -16.486 -6.290 1.00 0.00 C ATOM 1155 SG CYS B 26 13.724 -17.198 -4.626 1.00 0.00 S ATOM 0 H CYS B 26 13.026 -15.707 -8.524 1.00 0.00 H new ATOM 0 HA CYS B 26 13.155 -18.324 -7.357 1.00 0.00 H new ATOM 0 HB2 CYS B 26 14.540 -16.340 -6.717 1.00 0.00 H new ATOM 0 HB3 CYS B 26 13.090 -15.501 -6.204 1.00 0.00 H new ATOM 1160 N PRO B 27 11.080 -18.715 -6.056 1.00 0.00 N ATOM 1161 CA PRO B 27 9.799 -19.174 -5.499 1.00 0.00 C ATOM 1162 C PRO B 27 8.794 -18.083 -5.119 1.00 0.00 C ATOM 1163 O PRO B 27 7.678 -18.048 -5.635 1.00 0.00 O ATOM 1164 CB PRO B 27 10.273 -19.891 -4.236 1.00 0.00 C ATOM 1165 CG PRO B 27 11.610 -20.474 -4.579 1.00 0.00 C ATOM 1166 CD PRO B 27 12.102 -19.753 -5.826 1.00 0.00 C ATOM 0 HA PRO B 27 9.245 -19.760 -6.233 1.00 0.00 H new ATOM 0 HB2 PRO B 27 10.351 -19.198 -3.398 1.00 0.00 H new ATOM 0 HB3 PRO B 27 9.570 -20.670 -3.941 1.00 0.00 H new ATOM 0 HG2 PRO B 27 12.311 -20.342 -3.755 1.00 0.00 H new ATOM 0 HG3 PRO B 27 11.529 -21.546 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO B 27 13.089 -19.316 -5.673 1.00 0.00 H new ATOM 0 HD3 PRO B 27 12.182 -20.431 -6.675 1.00 0.00 H new ATOM 1174 N ALA B 28 9.209 -17.178 -4.241 1.00 0.00 N ATOM 1175 CA ALA B 28 8.274 -16.250 -3.608 1.00 0.00 C ATOM 1176 C ALA B 28 8.739 -14.803 -3.738 1.00 0.00 C ATOM 1177 O ALA B 28 8.051 -13.873 -3.318 1.00 0.00 O ATOM 1178 CB ALA B 28 8.081 -16.615 -2.143 1.00 0.00 C ATOM 0 H ALA B 28 10.180 -17.065 -3.951 1.00 0.00 H new ATOM 0 HA ALA B 28 7.319 -16.336 -4.127 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.382 -15.916 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.683 -17.627 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.039 -16.563 -1.626 1.00 0.00 H new ATOM 1184 N CYS B 29 9.917 -14.614 -4.301 1.00 0.00 N ATOM 1185 CA CYS B 29 10.441 -13.277 -4.508 1.00 0.00 C ATOM 1186 C CYS B 29 10.930 -13.138 -5.946 1.00 0.00 C ATOM 1187 O CYS B 29 12.087 -13.443 -6.250 1.00 0.00 O ATOM 1188 CB CYS B 29 11.563 -12.979 -3.494 1.00 0.00 C ATOM 1189 SG CYS B 29 13.055 -13.988 -3.696 1.00 0.00 S ATOM 0 H CYS B 29 10.527 -15.366 -4.622 1.00 0.00 H new ATOM 0 HA CYS B 29 9.651 -12.544 -4.344 1.00 0.00 H new ATOM 0 HB2 CYS B 29 11.838 -11.928 -3.576 1.00 0.00 H new ATOM 0 HB3 CYS B 29 11.173 -13.129 -2.487 1.00 0.00 H new ATOM 1194 N SER B 30 10.033 -12.711 -6.839 1.00 0.00 N ATOM 1195 CA SER B 30 10.342 -12.595 -8.267 1.00 0.00 C ATOM 1196 C SER B 30 11.255 -11.406 -8.563 1.00 0.00 C ATOM 1197 O SER B 30 10.918 -10.530 -9.356 1.00 0.00 O ATOM 1198 CB SER B 30 9.044 -12.466 -9.068 1.00 0.00 C ATOM 1199 OG SER B 30 8.106 -13.459 -8.682 1.00 0.00 O ATOM 0 H SER B 30 9.081 -12.438 -6.596 1.00 0.00 H new ATOM 0 HA SER B 30 10.874 -13.499 -8.564 1.00 0.00 H new ATOM 0 HB2 SER B 30 8.615 -11.476 -8.914 1.00 0.00 H new ATOM 0 HB3 SER B 30 9.259 -12.558 -10.133 1.00 0.00 H new ATOM 0 HG SER B 30 7.285 -13.355 -9.206 1.00 0.00 H new ATOM 1205 N GLY B 31 12.400 -11.372 -7.899 1.00 0.00 N ATOM 1206 CA GLY B 31 13.403 -10.382 -8.205 1.00 0.00 C ATOM 1207 C GLY B 31 13.273 -9.141 -7.359 1.00 0.00 C ATOM 1208 O GLY B 31 13.340 -8.025 -7.868 1.00 0.00 O ATOM 0 H GLY B 31 12.651 -12.018 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY B 31 14.392 -10.815 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY B 31 13.329 -10.109 -9.258 1.00 0.00 H new ATOM 1212 N LYS B 32 13.103 -9.324 -6.055 1.00 0.00 N ATOM 1213 CA LYS B 32 12.975 -8.207 -5.132 1.00 0.00 C ATOM 1214 C LYS B 32 14.036 -8.324 -4.044 1.00 0.00 C ATOM 1215 O LYS B 32 14.593 -7.330 -3.587 1.00 0.00 O ATOM 1216 CB LYS B 32 11.579 -8.206 -4.507 1.00 0.00 C ATOM 1217 CG LYS B 32 10.477 -8.012 -5.532 1.00 0.00 C ATOM 1218 CD LYS B 32 9.091 -8.235 -4.950 1.00 0.00 C ATOM 1219 CE LYS B 32 8.924 -9.651 -4.429 1.00 0.00 C ATOM 1220 NZ LYS B 32 7.493 -10.042 -4.317 1.00 0.00 N ATOM 0 H LYS B 32 13.051 -10.242 -5.613 1.00 0.00 H new ATOM 0 HA LYS B 32 13.118 -7.271 -5.673 1.00 0.00 H new ATOM 0 HB2 LYS B 32 11.420 -9.148 -3.983 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.520 -7.413 -3.762 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.538 -7.003 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS B 32 10.633 -8.700 -6.363 1.00 0.00 H new ATOM 0 HD2 LYS B 32 8.918 -7.526 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS B 32 8.339 -8.037 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS B 32 9.438 -10.345 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.400 -9.736 -3.452 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 7.426 -11.016 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 7.007 -9.397 -3.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 7.044 -9.987 -5.253 1.00 0.00 H new ATOM 1234 N GLY B 33 14.294 -9.559 -3.615 1.00 0.00 N ATOM 1235 CA GLY B 33 15.286 -9.810 -2.611 1.00 0.00 C ATOM 1236 C GLY B 33 14.641 -10.344 -1.354 1.00 0.00 C ATOM 1237 O GLY B 33 15.136 -11.287 -0.741 1.00 0.00 O ATOM 0 H GLY B 33 13.819 -10.394 -3.959 1.00 0.00 H new ATOM 0 HA2 GLY B 33 16.017 -10.527 -2.985 1.00 0.00 H new ATOM 0 HA3 GLY B 33 15.827 -8.890 -2.387 1.00 0.00 H new ATOM 1241 N VAL B 34 13.485 -9.799 -1.014 1.00 0.00 N ATOM 1242 CA VAL B 34 12.818 -10.164 0.227 1.00 0.00 C ATOM 1243 C VAL B 34 11.488 -10.868 -0.020 1.00 0.00 C ATOM 1244 O VAL B 34 10.943 -10.834 -1.131 1.00 0.00 O ATOM 1245 CB VAL B 34 12.566 -8.917 1.102 1.00 0.00 C ATOM 1246 CG1 VAL B 34 13.879 -8.284 1.540 1.00 0.00 C ATOM 1247 CG2 VAL B 34 11.712 -7.906 0.351 1.00 0.00 C ATOM 0 H VAL B 34 12.990 -9.106 -1.575 1.00 0.00 H new ATOM 0 HA VAL B 34 13.485 -10.854 0.745 1.00 0.00 H new ATOM 0 HB VAL B 34 12.028 -9.233 1.996 1.00 0.00 H new ATOM 0 HG11 VAL B 34 13.673 -7.408 2.155 1.00 0.00 H new ATOM 0 HG12 VAL B 34 14.456 -9.006 2.118 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.450 -7.984 0.661 1.00 0.00 H new ATOM 0 HG21 VAL B 34 11.543 -7.033 0.981 1.00 0.00 H new ATOM 0 HG22 VAL B 34 12.226 -7.602 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL B 34 10.754 -8.358 0.094 1.00 0.00 H new ATOM 1257 N ILE B 35 11.002 -11.531 1.020 1.00 0.00 N ATOM 1258 CA ILE B 35 9.679 -12.139 1.028 1.00 0.00 C ATOM 1259 C ILE B 35 8.901 -11.634 2.237 1.00 0.00 C ATOM 1260 O ILE B 35 9.491 -11.191 3.217 1.00 0.00 O ATOM 1261 CB ILE B 35 9.751 -13.682 1.059 1.00 0.00 C ATOM 1262 CG1 ILE B 35 10.651 -14.161 2.203 1.00 0.00 C ATOM 1263 CG2 ILE B 35 10.251 -14.218 -0.274 1.00 0.00 C ATOM 1264 CD1 ILE B 35 10.726 -15.667 2.332 1.00 0.00 C ATOM 0 H ILE B 35 11.519 -11.663 1.889 1.00 0.00 H new ATOM 0 HA ILE B 35 9.172 -11.854 0.106 1.00 0.00 H new ATOM 0 HB ILE B 35 8.746 -14.068 1.232 1.00 0.00 H new ATOM 0 HG12 ILE B 35 11.656 -13.768 2.051 1.00 0.00 H new ATOM 0 HG13 ILE B 35 10.284 -13.743 3.141 1.00 0.00 H new ATOM 0 HG21 ILE B 35 10.296 -15.306 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE B 35 9.570 -13.911 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE B 35 11.246 -13.821 -0.476 1.00 0.00 H new ATOM 0 HD11 ILE B 35 11.381 -15.929 3.163 1.00 0.00 H new ATOM 0 HD12 ILE B 35 9.729 -16.066 2.516 1.00 0.00 H new ATOM 0 HD13 ILE B 35 11.122 -16.092 1.410 1.00 0.00 H new ATOM 1276 N LEU B 36 7.585 -11.697 2.165 1.00 0.00 N ATOM 1277 CA LEU B 36 6.746 -11.055 3.168 1.00 0.00 C ATOM 1278 C LEU B 36 6.455 -11.960 4.354 1.00 0.00 C ATOM 1279 O LEU B 36 6.571 -13.184 4.276 1.00 0.00 O ATOM 1280 CB LEU B 36 5.425 -10.592 2.547 1.00 0.00 C ATOM 1281 CG LEU B 36 5.575 -9.654 1.348 1.00 0.00 C ATOM 1282 CD1 LEU B 36 5.660 -10.438 0.049 1.00 0.00 C ATOM 1283 CD2 LEU B 36 4.433 -8.664 1.304 1.00 0.00 C ATOM 0 H LEU B 36 7.073 -12.182 1.428 1.00 0.00 H new ATOM 0 HA LEU B 36 7.306 -10.195 3.536 1.00 0.00 H new ATOM 0 HB2 LEU B 36 4.859 -11.470 2.235 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.836 -10.088 3.313 1.00 0.00 H new ATOM 0 HG LEU B 36 6.506 -9.100 1.465 1.00 0.00 H new ATOM 0 HD11 LEU B 36 5.766 -9.747 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU B 36 6.523 -11.103 0.081 1.00 0.00 H new ATOM 0 HD13 LEU B 36 4.752 -11.027 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU B 36 4.556 -8.005 0.445 1.00 0.00 H new ATOM 0 HD22 LEU B 36 3.489 -9.201 1.217 1.00 0.00 H new ATOM 0 HD23 LEU B 36 4.430 -8.071 2.219 1.00 0.00 H new ATOM 1295 N THR B 37 6.076 -11.326 5.451 1.00 0.00 N ATOM 1296 CA THR B 37 5.600 -12.021 6.630 1.00 0.00 C ATOM 1297 C THR B 37 4.092 -11.824 6.727 1.00 0.00 C ATOM 1298 O THR B 37 3.527 -11.083 5.927 1.00 0.00 O ATOM 1299 CB THR B 37 6.291 -11.503 7.915 1.00 0.00 C ATOM 1300 OG1 THR B 37 5.808 -12.211 9.062 1.00 0.00 O ATOM 1301 CG2 THR B 37 6.062 -10.010 8.105 1.00 0.00 C ATOM 0 H THR B 37 6.091 -10.311 5.547 1.00 0.00 H new ATOM 0 HA THR B 37 5.841 -13.080 6.540 1.00 0.00 H new ATOM 0 HB THR B 37 7.361 -11.677 7.805 1.00 0.00 H new ATOM 0 HG1 THR B 37 6.255 -11.874 9.866 1.00 0.00 H new ATOM 0 HG21 THR B 37 6.560 -9.679 9.016 1.00 0.00 H new ATOM 0 HG22 THR B 37 6.469 -9.468 7.251 1.00 0.00 H new ATOM 0 HG23 THR B 37 4.993 -9.813 8.184 1.00 0.00 H new ATOM 1309 N ALA B 38 3.454 -12.465 7.695 1.00 0.00 N ATOM 1310 CA ALA B 38 1.997 -12.443 7.821 1.00 0.00 C ATOM 1311 C ALA B 38 1.446 -11.021 7.797 1.00 0.00 C ATOM 1312 O ALA B 38 0.481 -10.736 7.088 1.00 0.00 O ATOM 1313 CB ALA B 38 1.585 -13.158 9.094 1.00 0.00 C ATOM 0 H ALA B 38 3.925 -13.014 8.414 1.00 0.00 H new ATOM 0 HA ALA B 38 1.573 -12.963 6.962 1.00 0.00 H new ATOM 0 HB1 ALA B 38 0.499 -13.140 9.186 1.00 0.00 H new ATOM 0 HB2 ALA B 38 1.930 -14.192 9.059 1.00 0.00 H new ATOM 0 HB3 ALA B 38 2.030 -12.656 9.953 1.00 0.00 H new ATOM 1319 N GLN B 39 2.061 -10.131 8.567 1.00 0.00 N ATOM 1320 CA GLN B 39 1.663 -8.728 8.577 1.00 0.00 C ATOM 1321 C GLN B 39 1.777 -8.106 7.186 1.00 0.00 C ATOM 1322 O GLN B 39 0.865 -7.418 6.727 1.00 0.00 O ATOM 1323 CB GLN B 39 2.520 -7.944 9.562 1.00 0.00 C ATOM 1324 CG GLN B 39 1.999 -6.541 9.806 1.00 0.00 C ATOM 1325 CD GLN B 39 2.744 -5.819 10.904 1.00 0.00 C ATOM 1326 OE1 GLN B 39 3.242 -6.437 11.841 1.00 0.00 O ATOM 1327 NE2 GLN B 39 2.812 -4.504 10.797 1.00 0.00 N ATOM 0 H GLN B 39 2.836 -10.355 9.191 1.00 0.00 H new ATOM 0 HA GLN B 39 0.619 -8.682 8.887 1.00 0.00 H new ATOM 0 HB2 GLN B 39 2.561 -8.482 10.509 1.00 0.00 H new ATOM 0 HB3 GLN B 39 3.541 -7.887 9.184 1.00 0.00 H new ATOM 0 HG2 GLN B 39 2.075 -5.965 8.883 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.941 -6.592 10.064 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.383 -4.034 10.000 1.00 0.00 H new ATOM 0 HE22 GLN B 39 3.294 -3.958 11.512 1.00 0.00 H new ATOM 1336 N GLY B 40 2.898 -8.353 6.519 1.00 0.00 N ATOM 1337 CA GLY B 40 3.090 -7.849 5.175 1.00 0.00 C ATOM 1338 C GLY B 40 2.153 -8.517 4.194 1.00 0.00 C ATOM 1339 O GLY B 40 1.782 -7.932 3.183 1.00 0.00 O ATOM 0 H GLY B 40 3.679 -8.895 6.888 1.00 0.00 H new ATOM 0 HA2 GLY B 40 2.924 -6.772 5.162 1.00 0.00 H new ATOM 0 HA3 GLY B 40 4.122 -8.017 4.866 1.00 0.00 H new ATOM 1343 N TYR B 41 1.760 -9.742 4.504 1.00 0.00 N ATOM 1344 CA TYR B 41 0.794 -10.461 3.694 1.00 0.00 C ATOM 1345 C TYR B 41 -0.594 -9.853 3.826 1.00 0.00 C ATOM 1346 O TYR B 41 -1.354 -9.825 2.858 1.00 0.00 O ATOM 1347 CB TYR B 41 0.768 -11.938 4.101 1.00 0.00 C ATOM 1348 CG TYR B 41 1.703 -12.816 3.299 1.00 0.00 C ATOM 1349 CD1 TYR B 41 1.349 -13.266 2.033 1.00 0.00 C ATOM 1350 CD2 TYR B 41 2.936 -13.198 3.806 1.00 0.00 C ATOM 1351 CE1 TYR B 41 2.199 -14.069 1.297 1.00 0.00 C ATOM 1352 CE2 TYR B 41 3.791 -13.999 3.078 1.00 0.00 C ATOM 1353 CZ TYR B 41 3.420 -14.432 1.826 1.00 0.00 C ATOM 1354 OH TYR B 41 4.275 -15.230 1.102 1.00 0.00 O ATOM 0 H TYR B 41 2.098 -10.260 5.315 1.00 0.00 H new ATOM 0 HA TYR B 41 1.097 -10.382 2.650 1.00 0.00 H new ATOM 0 HB2 TYR B 41 1.028 -12.018 5.157 1.00 0.00 H new ATOM 0 HB3 TYR B 41 -0.249 -12.315 3.994 1.00 0.00 H new ATOM 0 HD1 TYR B 41 0.393 -12.983 1.617 1.00 0.00 H new ATOM 0 HD2 TYR B 41 3.232 -12.862 4.789 1.00 0.00 H new ATOM 0 HE1 TYR B 41 1.909 -14.410 0.314 1.00 0.00 H new ATOM 0 HE2 TYR B 41 4.748 -14.285 3.489 1.00 0.00 H new ATOM 0 HH TYR B 41 5.091 -15.389 1.620 1.00 0.00 H new ATOM 1364 N THR B 42 -0.918 -9.337 5.000 1.00 0.00 N ATOM 1365 CA THR B 42 -2.163 -8.608 5.179 1.00 0.00 C ATOM 1366 C THR B 42 -2.114 -7.270 4.444 1.00 0.00 C ATOM 1367 O THR B 42 -3.113 -6.806 3.885 1.00 0.00 O ATOM 1368 CB THR B 42 -2.427 -8.348 6.669 1.00 0.00 C ATOM 1369 OG1 THR B 42 -2.208 -9.551 7.408 1.00 0.00 O ATOM 1370 CG2 THR B 42 -3.849 -7.861 6.892 1.00 0.00 C ATOM 0 H THR B 42 -0.341 -9.408 5.838 1.00 0.00 H new ATOM 0 HA THR B 42 -2.967 -9.218 4.768 1.00 0.00 H new ATOM 0 HB THR B 42 -1.742 -7.573 7.013 1.00 0.00 H new ATOM 0 HG1 THR B 42 -1.258 -9.788 7.373 1.00 0.00 H new ATOM 0 HG21 THR B 42 -4.010 -7.684 7.955 1.00 0.00 H new ATOM 0 HG22 THR B 42 -4.006 -6.933 6.342 1.00 0.00 H new ATOM 0 HG23 THR B 42 -4.552 -8.616 6.539 1.00 0.00 H new ATOM 1378 N LEU B 43 -0.927 -6.683 4.397 1.00 0.00 N ATOM 1379 CA LEU B 43 -0.756 -5.364 3.815 1.00 0.00 C ATOM 1380 C LEU B 43 -0.539 -5.466 2.310 1.00 0.00 C ATOM 1381 O LEU B 43 -0.713 -4.484 1.601 1.00 0.00 O ATOM 1382 CB LEU B 43 0.424 -4.622 4.477 1.00 0.00 C ATOM 1383 CG LEU B 43 0.061 -3.622 5.598 1.00 0.00 C ATOM 1384 CD1 LEU B 43 -0.907 -4.242 6.593 1.00 0.00 C ATOM 1385 CD2 LEU B 43 1.321 -3.166 6.320 1.00 0.00 C ATOM 0 H LEU B 43 -0.069 -7.101 4.756 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.667 -4.793 3.997 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.107 -5.365 4.889 1.00 0.00 H new ATOM 0 HB3 LEU B 43 0.968 -4.084 3.701 1.00 0.00 H new ATOM 0 HG LEU B 43 -0.424 -2.761 5.138 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -1.145 -3.516 7.370 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -1.822 -4.534 6.077 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -0.450 -5.122 7.046 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.054 -2.462 7.108 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.821 -4.029 6.759 1.00 0.00 H new ATOM 0 HD23 LEU B 43 1.991 -2.680 5.611 1.00 0.00 H new ATOM 1397 N LEU B 44 -0.198 -6.653 1.805 1.00 0.00 N ATOM 1398 CA LEU B 44 0.034 -6.805 0.376 1.00 0.00 C ATOM 1399 C LEU B 44 -1.287 -7.034 -0.357 1.00 0.00 C ATOM 1400 O LEU B 44 -1.521 -6.445 -1.399 1.00 0.00 O ATOM 1401 CB LEU B 44 1.061 -7.924 0.072 1.00 0.00 C ATOM 1402 CG LEU B 44 0.527 -9.357 -0.115 1.00 0.00 C ATOM 1403 CD1 LEU B 44 -0.044 -9.551 -1.513 1.00 0.00 C ATOM 1404 CD2 LEU B 44 1.625 -10.377 0.116 1.00 0.00 C ATOM 0 H LEU B 44 -0.079 -7.504 2.354 1.00 0.00 H new ATOM 0 HA LEU B 44 0.470 -5.877 0.007 1.00 0.00 H new ATOM 0 HB2 LEU B 44 1.600 -7.647 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU B 44 1.788 -7.941 0.884 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.265 -9.505 0.619 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -0.413 -10.571 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -0.864 -8.850 -1.672 1.00 0.00 H new ATOM 0 HD13 LEU B 44 0.736 -9.371 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU B 44 1.224 -11.381 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU B 44 2.434 -10.209 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU B 44 2.008 -10.276 1.131 1.00 0.00 H new ATOM 1416 N ASP B 45 -2.167 -7.856 0.210 1.00 0.00 N ATOM 1417 CA ASP B 45 -3.440 -8.177 -0.442 1.00 0.00 C ATOM 1418 C ASP B 45 -4.358 -6.967 -0.442 1.00 0.00 C ATOM 1419 O ASP B 45 -5.206 -6.811 -1.321 1.00 0.00 O ATOM 1420 CB ASP B 45 -4.114 -9.356 0.270 1.00 0.00 C ATOM 1421 CG ASP B 45 -5.556 -9.576 -0.162 1.00 0.00 C ATOM 1422 OD1 ASP B 45 -5.778 -10.172 -1.237 1.00 0.00 O ATOM 1423 OD2 ASP B 45 -6.474 -9.160 0.576 1.00 0.00 O ATOM 0 H ASP B 45 -2.026 -8.310 1.112 1.00 0.00 H new ATOM 0 HA ASP B 45 -3.240 -8.458 -1.476 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -3.542 -10.263 0.077 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -4.087 -9.185 1.346 1.00 0.00 H new ATOM 1428 N PHE B 46 -4.135 -6.079 0.507 1.00 0.00 N ATOM 1429 CA PHE B 46 -4.875 -4.832 0.577 1.00 0.00 C ATOM 1430 C PHE B 46 -4.381 -3.868 -0.482 1.00 0.00 C ATOM 1431 O PHE B 46 -5.173 -3.204 -1.149 1.00 0.00 O ATOM 1432 CB PHE B 46 -4.657 -4.222 1.962 1.00 0.00 C ATOM 1433 CG PHE B 46 -5.376 -2.930 2.207 1.00 0.00 C ATOM 1434 CD1 PHE B 46 -6.671 -2.930 2.694 1.00 0.00 C ATOM 1435 CD2 PHE B 46 -4.751 -1.716 1.973 1.00 0.00 C ATOM 1436 CE1 PHE B 46 -7.332 -1.743 2.937 1.00 0.00 C ATOM 1437 CE2 PHE B 46 -5.405 -0.528 2.215 1.00 0.00 C ATOM 1438 CZ PHE B 46 -6.696 -0.541 2.698 1.00 0.00 C ATOM 0 H PHE B 46 -3.442 -6.199 1.246 1.00 0.00 H new ATOM 0 HA PHE B 46 -5.934 -5.023 0.405 1.00 0.00 H new ATOM 0 HB2 PHE B 46 -4.974 -4.945 2.714 1.00 0.00 H new ATOM 0 HB3 PHE B 46 -3.589 -4.059 2.106 1.00 0.00 H new ATOM 0 HD1 PHE B 46 -7.170 -3.868 2.886 1.00 0.00 H new ATOM 0 HD2 PHE B 46 -3.739 -1.701 1.596 1.00 0.00 H new ATOM 0 HE1 PHE B 46 -8.344 -1.754 3.313 1.00 0.00 H new ATOM 0 HE2 PHE B 46 -4.907 0.412 2.027 1.00 0.00 H new ATOM 0 HZ PHE B 46 -7.210 0.389 2.890 1.00 0.00 H new ATOM 1448 N ILE B 47 -3.079 -3.817 -0.669 1.00 0.00 N ATOM 1449 CA ILE B 47 -2.523 -2.887 -1.624 1.00 0.00 C ATOM 1450 C ILE B 47 -2.643 -3.438 -3.044 1.00 0.00 C ATOM 1451 O ILE B 47 -2.757 -2.685 -4.002 1.00 0.00 O ATOM 1452 CB ILE B 47 -1.061 -2.529 -1.295 1.00 0.00 C ATOM 1453 CG1 ILE B 47 -0.185 -3.782 -1.316 1.00 0.00 C ATOM 1454 CG2 ILE B 47 -1.003 -1.855 0.067 1.00 0.00 C ATOM 1455 CD1 ILE B 47 1.263 -3.537 -0.952 1.00 0.00 C ATOM 0 H ILE B 47 -2.397 -4.398 -0.181 1.00 0.00 H new ATOM 0 HA ILE B 47 -3.102 -1.966 -1.559 1.00 0.00 H new ATOM 0 HB ILE B 47 -0.679 -1.842 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -0.602 -4.514 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -0.227 -4.224 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE B 47 0.030 -1.600 0.303 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -1.606 -0.947 0.050 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -1.392 -2.534 0.826 1.00 0.00 H new ATOM 0 HD11 ILE B 47 1.812 -4.478 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE B 47 1.701 -2.831 -1.657 1.00 0.00 H new ATOM 0 HD13 ILE B 47 1.320 -3.126 0.056 1.00 0.00 H new ATOM 1467 N GLN B 48 -2.636 -4.757 -3.169 1.00 0.00 N ATOM 1468 CA GLN B 48 -2.978 -5.407 -4.419 1.00 0.00 C ATOM 1469 C GLN B 48 -4.363 -4.974 -4.869 1.00 0.00 C ATOM 1470 O GLN B 48 -4.524 -4.331 -5.886 1.00 0.00 O ATOM 1471 CB GLN B 48 -2.967 -6.926 -4.245 1.00 0.00 C ATOM 1472 CG GLN B 48 -1.585 -7.527 -4.065 1.00 0.00 C ATOM 1473 CD GLN B 48 -0.662 -7.228 -5.227 1.00 0.00 C ATOM 1474 OE1 GLN B 48 -1.102 -7.081 -6.365 1.00 0.00 O ATOM 1475 NE2 GLN B 48 0.625 -7.139 -4.943 1.00 0.00 N ATOM 0 H GLN B 48 -2.395 -5.399 -2.413 1.00 0.00 H new ATOM 0 HA GLN B 48 -2.241 -5.120 -5.169 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -3.578 -7.185 -3.380 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -3.438 -7.383 -5.116 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -1.143 -7.142 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -1.675 -8.607 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN B 48 0.946 -7.268 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN B 48 1.298 -6.941 -5.683 1.00 0.00 H new ATOM 1484 N LYS B 49 -5.331 -5.235 -4.024 1.00 0.00 N ATOM 1485 CA LYS B 49 -6.744 -5.154 -4.376 1.00 0.00 C ATOM 1486 C LYS B 49 -7.261 -3.708 -4.413 1.00 0.00 C ATOM 1487 O LYS B 49 -8.439 -3.458 -4.671 1.00 0.00 O ATOM 1488 CB LYS B 49 -7.482 -6.057 -3.370 1.00 0.00 C ATOM 1489 CG LYS B 49 -8.945 -5.759 -3.093 1.00 0.00 C ATOM 1490 CD LYS B 49 -9.508 -6.728 -2.051 1.00 0.00 C ATOM 1491 CE LYS B 49 -8.481 -7.045 -0.964 1.00 0.00 C ATOM 1492 NZ LYS B 49 -9.033 -7.884 0.129 1.00 0.00 N ATOM 0 H LYS B 49 -5.166 -5.514 -3.057 1.00 0.00 H new ATOM 0 HA LYS B 49 -6.923 -5.504 -5.393 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -7.411 -7.084 -3.727 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -6.945 -6.011 -2.422 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -9.051 -4.734 -2.738 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -9.518 -5.838 -4.017 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -10.399 -6.296 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -9.816 -7.651 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -7.631 -7.558 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -8.105 -6.112 -0.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -8.261 -8.409 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -9.502 -7.276 0.830 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -9.723 -8.556 -0.264 1.00 0.00 H new ATOM 1506 N HIS B 50 -6.390 -2.734 -4.150 1.00 0.00 N ATOM 1507 CA HIS B 50 -6.763 -1.357 -4.487 1.00 0.00 C ATOM 1508 C HIS B 50 -5.846 -0.703 -5.530 1.00 0.00 C ATOM 1509 O HIS B 50 -6.080 0.441 -5.913 1.00 0.00 O ATOM 1510 CB HIS B 50 -6.823 -0.503 -3.214 1.00 0.00 C ATOM 1511 CG HIS B 50 -7.726 -1.093 -2.180 1.00 0.00 C ATOM 1512 ND1 HIS B 50 -9.030 -1.422 -2.444 1.00 0.00 N ATOM 1513 CD2 HIS B 50 -7.497 -1.477 -0.904 1.00 0.00 C ATOM 1514 CE1 HIS B 50 -9.566 -1.984 -1.382 1.00 0.00 C ATOM 1515 NE2 HIS B 50 -8.659 -2.036 -0.429 1.00 0.00 N ATOM 0 H HIS B 50 -5.470 -2.857 -3.728 1.00 0.00 H new ATOM 0 HA HIS B 50 -7.749 -1.410 -4.948 1.00 0.00 H new ATOM 0 HB2 HIS B 50 -5.820 -0.399 -2.801 1.00 0.00 H new ATOM 0 HB3 HIS B 50 -7.169 0.499 -3.467 1.00 0.00 H new ATOM 0 HD2 HIS B 50 -6.572 -1.365 -0.359 1.00 0.00 H new ATOM 0 HE1 HIS B 50 -10.582 -2.343 -1.305 1.00 0.00 H new ATOM 0 HE2 HIS B 50 -8.796 -2.425 0.504 1.00 0.00 H new ATOM 1524 N LEU B 51 -4.815 -1.406 -5.997 1.00 0.00 N ATOM 1525 CA LEU B 51 -3.943 -0.852 -7.046 1.00 0.00 C ATOM 1526 C LEU B 51 -3.835 -1.776 -8.257 1.00 0.00 C ATOM 1527 O LEU B 51 -3.759 -1.320 -9.398 1.00 0.00 O ATOM 1528 CB LEU B 51 -2.518 -0.597 -6.534 1.00 0.00 C ATOM 1529 CG LEU B 51 -2.319 0.577 -5.559 1.00 0.00 C ATOM 1530 CD1 LEU B 51 -2.919 1.859 -6.110 1.00 0.00 C ATOM 1531 CD2 LEU B 51 -2.897 0.267 -4.195 1.00 0.00 C ATOM 0 H LEU B 51 -4.562 -2.341 -5.678 1.00 0.00 H new ATOM 0 HA LEU B 51 -4.412 0.088 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -2.168 -1.506 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.874 -0.432 -7.397 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.245 0.724 -5.446 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -2.762 2.669 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -2.438 2.109 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -3.988 1.720 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -2.739 1.117 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -3.966 0.073 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.403 -0.612 -3.782 1.00 0.00 H new ATOM 1543 N ASN B 52 -3.804 -3.071 -8.002 1.00 0.00 N ATOM 1544 CA ASN B 52 -3.443 -4.057 -9.016 1.00 0.00 C ATOM 1545 C ASN B 52 -4.468 -5.188 -9.124 1.00 0.00 C ATOM 1546 O ASN B 52 -4.525 -5.888 -10.134 1.00 0.00 O ATOM 1547 CB ASN B 52 -2.065 -4.624 -8.680 1.00 0.00 C ATOM 1548 CG ASN B 52 -0.950 -3.991 -9.500 1.00 0.00 C ATOM 1549 OD1 ASN B 52 -1.137 -2.747 -9.919 1.00 0.00 O flip ATOM 1550 ND2 ASN B 52 0.073 -4.621 -9.765 1.00 0.00 N flip ATOM 0 H ASN B 52 -4.027 -3.473 -7.091 1.00 0.00 H new ATOM 0 HA ASN B 52 -3.426 -3.558 -9.985 1.00 0.00 H new ATOM 0 HB2 ASN B 52 -1.863 -4.470 -7.620 1.00 0.00 H new ATOM 0 HB3 ASN B 52 -2.069 -5.701 -8.851 1.00 0.00 H new ATOM 0 HD21 ASN B 52 0.185 -5.577 -9.427 1.00 0.00 H new ATOM 0 HD22 ASN B 52 0.809 -4.188 -10.323 1.00 0.00 H new ATOM 1557 N LYS B 53 -5.265 -5.363 -8.084 1.00 0.00 N ATOM 1558 CA LYS B 53 -6.346 -6.332 -8.085 1.00 0.00 C ATOM 1559 C LYS B 53 -7.682 -5.602 -8.133 1.00 0.00 C ATOM 1560 O LYS B 53 -8.322 -5.607 -9.207 1.00 0.00 O ATOM 1561 CB LYS B 53 -6.292 -7.210 -6.831 1.00 0.00 C ATOM 1562 CG LYS B 53 -5.830 -8.631 -7.093 1.00 0.00 C ATOM 1563 CD LYS B 53 -6.109 -9.525 -5.890 1.00 0.00 C ATOM 1564 CE LYS B 53 -4.977 -9.494 -4.884 1.00 0.00 C ATOM 1565 NZ LYS B 53 -5.155 -10.508 -3.813 1.00 0.00 N ATOM 1566 OXT LYS B 53 -8.069 -5.012 -7.114 1.00 0.00 O ATOM 0 H LYS B 53 -5.180 -4.836 -7.215 1.00 0.00 H new ATOM 0 HA LYS B 53 -6.238 -6.970 -8.962 1.00 0.00 H new ATOM 0 HB2 LYS B 53 -5.622 -6.749 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS B 53 -7.282 -7.239 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS B 53 -6.340 -9.027 -7.971 1.00 0.00 H new ATOM 0 HG3 LYS B 53 -4.763 -8.636 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS B 53 -7.032 -9.205 -5.407 1.00 0.00 H new ATOM 0 HD3 LYS B 53 -6.265 -10.549 -6.228 1.00 0.00 H new ATOM 0 HE2 LYS B 53 -4.032 -9.671 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS B 53 -4.917 -8.502 -4.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 -5.291 -10.029 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 -5.988 -11.094 -4.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 -4.310 -11.113 -3.764 1.00 0.00 H new TER 1580 LYS B 53 HETATM 1581 N FME C 1 -10.533 3.821 13.424 1.00 0.00 N HETATM 1582 CN FME C 1 -10.707 2.561 13.053 1.00 0.00 C HETATM 1583 O1 FME C 1 -11.567 1.842 13.560 1.00 0.00 O HETATM 1584 CA FME C 1 -9.527 4.653 12.782 1.00 0.00 C HETATM 1585 CB FME C 1 -10.175 5.897 12.177 1.00 0.00 C HETATM 1586 CG FME C 1 -9.283 6.633 11.192 1.00 0.00 C HETATM 1587 SD FME C 1 -10.135 7.997 10.378 1.00 0.00 S HETATM 1588 CE FME C 1 -8.947 8.417 9.104 1.00 0.00 C HETATM 1589 C FME C 1 -8.457 5.056 13.787 1.00 0.00 C HETATM 1590 O FME C 1 -8.644 5.984 14.577 1.00 0.00 O HETATM 0 HG3 FME C 1 -8.407 7.016 11.716 1.00 0.00 H new HETATM 0 HG2 FME C 1 -8.923 5.932 10.439 1.00 0.00 H new HETATM 0 HE3 FME C 1 -9.019 9.480 8.876 1.00 0.00 H new HETATM 0 HE2 FME C 1 -7.941 8.189 9.455 1.00 0.00 H new HETATM 0 HE1 FME C 1 -9.158 7.838 8.205 1.00 0.00 H new HETATM 0 HCN FME C 1 -10.067 2.148 12.273 1.00 0.00 H new HETATM 0 HB3 FME C 1 -11.096 5.607 11.672 1.00 0.00 H new HETATM 0 HB2 FME C 1 -10.453 6.578 12.981 1.00 0.00 H new HETATM 0 HA FME C 1 -9.059 4.078 11.983 1.00 0.00 H new HETATM 0 H FME C 1 -11.111 4.212 14.168 1.00 0.00 H new ATOM 1601 N VAL C 2 -7.340 4.349 13.756 1.00 0.00 N ATOM 1602 CA VAL C 2 -6.247 4.602 14.682 1.00 0.00 C ATOM 1603 C VAL C 2 -5.087 5.295 13.957 1.00 0.00 C ATOM 1604 O VAL C 2 -4.001 5.480 14.505 1.00 0.00 O ATOM 1605 CB VAL C 2 -5.772 3.279 15.334 1.00 0.00 C ATOM 1606 CG1 VAL C 2 -5.081 2.381 14.318 1.00 0.00 C ATOM 1607 CG2 VAL C 2 -4.873 3.543 16.534 1.00 0.00 C ATOM 0 H VAL C 2 -7.165 3.591 13.096 1.00 0.00 H new ATOM 0 HA VAL C 2 -6.605 5.263 15.472 1.00 0.00 H new ATOM 0 HB VAL C 2 -6.657 2.755 15.694 1.00 0.00 H new ATOM 0 HG11 VAL C 2 -4.759 1.461 14.805 1.00 0.00 H new ATOM 0 HG12 VAL C 2 -5.775 2.141 13.513 1.00 0.00 H new ATOM 0 HG13 VAL C 2 -4.213 2.897 13.907 1.00 0.00 H new ATOM 0 HG21 VAL C 2 -4.557 2.594 16.968 1.00 0.00 H new ATOM 0 HG22 VAL C 2 -3.996 4.106 16.215 1.00 0.00 H new ATOM 0 HG23 VAL C 2 -5.421 4.119 17.280 1.00 0.00 H new ATOM 1617 N ILE C 3 -5.337 5.705 12.723 1.00 0.00 N ATOM 1618 CA ILE C 3 -4.304 6.326 11.914 1.00 0.00 C ATOM 1619 C ILE C 3 -4.903 7.395 11.009 1.00 0.00 C ATOM 1620 O ILE C 3 -6.015 7.240 10.505 1.00 0.00 O ATOM 1621 CB ILE C 3 -3.545 5.277 11.062 1.00 0.00 C ATOM 1622 CG1 ILE C 3 -2.302 5.902 10.420 1.00 0.00 C ATOM 1623 CG2 ILE C 3 -4.459 4.681 9.994 1.00 0.00 C ATOM 1624 CD1 ILE C 3 -1.428 4.905 9.692 1.00 0.00 C ATOM 0 H ILE C 3 -6.243 5.619 12.263 1.00 0.00 H new ATOM 0 HA ILE C 3 -3.591 6.793 12.594 1.00 0.00 H new ATOM 0 HB ILE C 3 -3.223 4.471 11.722 1.00 0.00 H new ATOM 0 HG12 ILE C 3 -2.616 6.676 9.720 1.00 0.00 H new ATOM 0 HG13 ILE C 3 -1.712 6.392 11.194 1.00 0.00 H new ATOM 0 HG21 ILE C 3 -3.905 3.948 9.409 1.00 0.00 H new ATOM 0 HG22 ILE C 3 -5.309 4.195 10.473 1.00 0.00 H new ATOM 0 HG23 ILE C 3 -4.817 5.474 9.337 1.00 0.00 H new ATOM 0 HD11 ILE C 3 -0.568 5.420 9.264 1.00 0.00 H new ATOM 0 HD12 ILE C 3 -1.084 4.144 10.392 1.00 0.00 H new ATOM 0 HD13 ILE C 3 -2.002 4.432 8.895 1.00 0.00 H new ATOM 1636 N ALA C 4 -4.182 8.492 10.851 1.00 0.00 N ATOM 1637 CA ALA C 4 -4.570 9.533 9.920 1.00 0.00 C ATOM 1638 C ALA C 4 -3.466 9.738 8.893 1.00 0.00 C ATOM 1639 O ALA C 4 -2.319 9.344 9.115 1.00 0.00 O ATOM 1640 CB ALA C 4 -4.859 10.825 10.665 1.00 0.00 C ATOM 0 H ALA C 4 -3.319 8.684 11.360 1.00 0.00 H new ATOM 0 HA ALA C 4 -5.480 9.230 9.401 1.00 0.00 H new ATOM 0 HB1 ALA C 4 -5.149 11.598 9.954 1.00 0.00 H new ATOM 0 HB2 ALA C 4 -5.670 10.662 11.375 1.00 0.00 H new ATOM 0 HB3 ALA C 4 -3.965 11.143 11.202 1.00 0.00 H new ATOM 1646 N THR C 5 -3.815 10.355 7.772 1.00 0.00 N ATOM 1647 CA THR C 5 -2.867 10.584 6.688 1.00 0.00 C ATOM 1648 C THR C 5 -1.754 11.533 7.131 1.00 0.00 C ATOM 1649 O THR C 5 -0.699 11.610 6.506 1.00 0.00 O ATOM 1650 CB THR C 5 -3.586 11.157 5.449 1.00 0.00 C ATOM 1651 OG1 THR C 5 -4.769 10.391 5.181 1.00 0.00 O ATOM 1652 CG2 THR C 5 -2.685 11.127 4.222 1.00 0.00 C ATOM 0 H THR C 5 -4.754 10.708 7.588 1.00 0.00 H new ATOM 0 HA THR C 5 -2.422 9.625 6.424 1.00 0.00 H new ATOM 0 HB THR C 5 -3.847 12.194 5.662 1.00 0.00 H new ATOM 0 HG1 THR C 5 -5.225 10.758 4.395 1.00 0.00 H new ATOM 0 HG21 THR C 5 -3.221 11.537 3.367 1.00 0.00 H new ATOM 0 HG22 THR C 5 -1.793 11.724 4.411 1.00 0.00 H new ATOM 0 HG23 THR C 5 -2.395 10.098 4.009 1.00 0.00 H new ATOM 1660 N ASP C 6 -1.972 12.202 8.256 1.00 0.00 N ATOM 1661 CA ASP C 6 -1.016 13.171 8.772 1.00 0.00 C ATOM 1662 C ASP C 6 0.099 12.474 9.539 1.00 0.00 C ATOM 1663 O ASP C 6 1.071 13.110 9.945 1.00 0.00 O ATOM 1664 CB ASP C 6 -1.711 14.176 9.693 1.00 0.00 C ATOM 1665 CG ASP C 6 -2.716 15.045 8.967 1.00 0.00 C ATOM 1666 OD1 ASP C 6 -3.849 14.577 8.728 1.00 0.00 O ATOM 1667 OD2 ASP C 6 -2.386 16.211 8.660 1.00 0.00 O ATOM 0 H ASP C 6 -2.807 12.090 8.831 1.00 0.00 H new ATOM 0 HA ASP C 6 -0.587 13.700 7.921 1.00 0.00 H new ATOM 0 HB2 ASP C 6 -2.216 13.637 10.494 1.00 0.00 H new ATOM 0 HB3 ASP C 6 -0.960 14.812 10.161 1.00 0.00 H new ATOM 1672 N ASP C 7 -0.035 11.164 9.733 1.00 0.00 N ATOM 1673 CA ASP C 7 1.001 10.396 10.418 1.00 0.00 C ATOM 1674 C ASP C 7 1.859 9.633 9.417 1.00 0.00 C ATOM 1675 O ASP C 7 2.851 9.006 9.789 1.00 0.00 O ATOM 1676 CB ASP C 7 0.378 9.384 11.391 1.00 0.00 C ATOM 1677 CG ASP C 7 -0.554 10.008 12.409 1.00 0.00 C ATOM 1678 OD1 ASP C 7 -0.076 10.757 13.282 1.00 0.00 O ATOM 1679 OD2 ASP C 7 -1.774 9.722 12.357 1.00 0.00 O ATOM 0 H ASP C 7 -0.841 10.617 9.429 1.00 0.00 H new ATOM 0 HA ASP C 7 1.618 11.105 10.969 1.00 0.00 H new ATOM 0 HB2 ASP C 7 -0.172 8.636 10.820 1.00 0.00 H new ATOM 0 HB3 ASP C 7 1.177 8.860 11.916 1.00 0.00 H new ATOM 1684 N LEU C 8 1.476 9.691 8.150 1.00 0.00 N ATOM 1685 CA LEU C 8 2.232 9.024 7.095 1.00 0.00 C ATOM 1686 C LEU C 8 2.757 10.035 6.091 1.00 0.00 C ATOM 1687 O LEU C 8 3.787 9.817 5.447 1.00 0.00 O ATOM 1688 CB LEU C 8 1.360 7.991 6.380 1.00 0.00 C ATOM 1689 CG LEU C 8 0.910 6.814 7.241 1.00 0.00 C ATOM 1690 CD1 LEU C 8 -0.010 5.899 6.450 1.00 0.00 C ATOM 1691 CD2 LEU C 8 2.112 6.040 7.752 1.00 0.00 C ATOM 0 H LEU C 8 0.648 10.191 7.826 1.00 0.00 H new ATOM 0 HA LEU C 8 3.078 8.515 7.557 1.00 0.00 H new ATOM 0 HB2 LEU C 8 0.475 8.494 5.989 1.00 0.00 H new ATOM 0 HB3 LEU C 8 1.912 7.604 5.523 1.00 0.00 H new ATOM 0 HG LEU C 8 0.359 7.204 8.097 1.00 0.00 H new ATOM 0 HD11 LEU C 8 -0.322 5.065 7.079 1.00 0.00 H new ATOM 0 HD12 LEU C 8 -0.888 6.458 6.126 1.00 0.00 H new ATOM 0 HD13 LEU C 8 0.519 5.517 5.577 1.00 0.00 H new ATOM 0 HD21 LEU C 8 1.773 5.204 8.364 1.00 0.00 H new ATOM 0 HD22 LEU C 8 2.687 5.661 6.907 1.00 0.00 H new ATOM 0 HD23 LEU C 8 2.740 6.698 8.352 1.00 0.00 H new ATOM 1703 N GLU C 9 2.059 11.153 5.991 1.00 0.00 N ATOM 1704 CA GLU C 9 2.400 12.187 5.036 1.00 0.00 C ATOM 1705 C GLU C 9 2.280 13.554 5.687 1.00 0.00 C ATOM 1706 O GLU C 9 1.447 13.765 6.569 1.00 0.00 O ATOM 1707 CB GLU C 9 1.494 12.115 3.807 1.00 0.00 C ATOM 1708 CG GLU C 9 1.643 10.828 3.016 1.00 0.00 C ATOM 1709 CD GLU C 9 0.707 10.763 1.830 1.00 0.00 C ATOM 1710 OE1 GLU C 9 -0.359 11.407 1.873 1.00 0.00 O ATOM 1711 OE2 GLU C 9 1.044 10.075 0.844 1.00 0.00 O ATOM 0 H GLU C 9 1.245 11.367 6.567 1.00 0.00 H new ATOM 0 HA GLU C 9 3.429 12.029 4.714 1.00 0.00 H new ATOM 0 HB2 GLU C 9 0.456 12.218 4.124 1.00 0.00 H new ATOM 0 HB3 GLU C 9 1.713 12.960 3.154 1.00 0.00 H new ATOM 0 HG2 GLU C 9 2.672 10.737 2.668 1.00 0.00 H new ATOM 0 HG3 GLU C 9 1.452 9.979 3.672 1.00 0.00 H new ATOM 1718 N VAL C 10 3.133 14.462 5.266 1.00 0.00 N ATOM 1719 CA VAL C 10 3.113 15.826 5.753 1.00 0.00 C ATOM 1720 C VAL C 10 3.096 16.785 4.567 1.00 0.00 C ATOM 1721 O VAL C 10 3.765 16.547 3.558 1.00 0.00 O ATOM 1722 CB VAL C 10 4.332 16.107 6.673 1.00 0.00 C ATOM 1723 CG1 VAL C 10 5.638 15.739 5.985 1.00 0.00 C ATOM 1724 CG2 VAL C 10 4.357 17.559 7.129 1.00 0.00 C ATOM 0 H VAL C 10 3.861 14.276 4.576 1.00 0.00 H new ATOM 0 HA VAL C 10 2.213 15.977 6.349 1.00 0.00 H new ATOM 0 HB VAL C 10 4.225 15.477 7.556 1.00 0.00 H new ATOM 0 HG11 VAL C 10 6.473 15.947 6.654 1.00 0.00 H new ATOM 0 HG12 VAL C 10 5.630 14.679 5.733 1.00 0.00 H new ATOM 0 HG13 VAL C 10 5.748 16.327 5.074 1.00 0.00 H new ATOM 0 HG21 VAL C 10 5.222 17.724 7.771 1.00 0.00 H new ATOM 0 HG22 VAL C 10 4.421 18.213 6.259 1.00 0.00 H new ATOM 0 HG23 VAL C 10 3.446 17.782 7.684 1.00 0.00 H new ATOM 1734 N ALA C 11 2.310 17.845 4.674 1.00 0.00 N ATOM 1735 CA ALA C 11 2.181 18.810 3.594 1.00 0.00 C ATOM 1736 C ALA C 11 3.509 19.506 3.331 1.00 0.00 C ATOM 1737 O ALA C 11 4.201 19.920 4.261 1.00 0.00 O ATOM 1738 CB ALA C 11 1.102 19.816 3.961 1.00 0.00 C ATOM 0 H ALA C 11 1.751 18.059 5.500 1.00 0.00 H new ATOM 0 HA ALA C 11 1.897 18.295 2.676 1.00 0.00 H new ATOM 0 HB1 ALA C 11 0.996 20.545 3.158 1.00 0.00 H new ATOM 0 HB2 ALA C 11 0.155 19.297 4.107 1.00 0.00 H new ATOM 0 HB3 ALA C 11 1.380 20.328 4.882 1.00 0.00 H new ATOM 1744 N CYS C 12 3.869 19.610 2.049 1.00 0.00 N ATOM 1745 CA CYS C 12 5.193 20.047 1.631 1.00 0.00 C ATOM 1746 C CYS C 12 5.484 21.514 1.987 1.00 0.00 C ATOM 1747 O CYS C 12 4.555 22.284 2.186 1.00 0.00 O ATOM 1748 CB CYS C 12 5.325 19.793 0.118 1.00 0.00 C ATOM 1749 SG CYS C 12 6.710 20.627 -0.675 1.00 0.00 S ATOM 0 H CYS C 12 3.244 19.391 1.273 1.00 0.00 H new ATOM 0 HA CYS C 12 5.940 19.471 2.177 1.00 0.00 H new ATOM 0 HB2 CYS C 12 5.423 18.720 -0.048 1.00 0.00 H new ATOM 0 HB3 CYS C 12 4.403 20.108 -0.370 1.00 0.00 H new ATOM 1754 N PRO C 13 6.775 21.910 2.093 1.00 0.00 N ATOM 1755 CA PRO C 13 7.182 23.292 2.394 1.00 0.00 C ATOM 1756 C PRO C 13 6.314 24.373 1.734 1.00 0.00 C ATOM 1757 O PRO C 13 6.006 25.397 2.350 1.00 0.00 O ATOM 1758 CB PRO C 13 8.585 23.341 1.798 1.00 0.00 C ATOM 1759 CG PRO C 13 9.141 21.975 2.000 1.00 0.00 C ATOM 1760 CD PRO C 13 7.961 21.029 1.958 1.00 0.00 C ATOM 0 HA PRO C 13 7.101 23.503 3.460 1.00 0.00 H new ATOM 0 HB2 PRO C 13 8.555 23.602 0.740 1.00 0.00 H new ATOM 0 HB3 PRO C 13 9.198 24.093 2.294 1.00 0.00 H new ATOM 0 HG2 PRO C 13 9.864 21.730 1.222 1.00 0.00 H new ATOM 0 HG3 PRO C 13 9.663 21.904 2.954 1.00 0.00 H new ATOM 0 HD2 PRO C 13 7.935 20.468 1.024 1.00 0.00 H new ATOM 0 HD3 PRO C 13 8.008 20.299 2.767 1.00 0.00 H new ATOM 1768 N LYS C 14 5.895 24.127 0.495 1.00 0.00 N ATOM 1769 CA LYS C 14 5.313 25.190 -0.317 1.00 0.00 C ATOM 1770 C LYS C 14 4.176 24.728 -1.237 1.00 0.00 C ATOM 1771 O LYS C 14 3.284 25.511 -1.535 1.00 0.00 O ATOM 1772 CB LYS C 14 6.414 25.855 -1.155 1.00 0.00 C ATOM 1773 CG LYS C 14 5.914 26.947 -2.094 1.00 0.00 C ATOM 1774 CD LYS C 14 7.041 27.485 -2.969 1.00 0.00 C ATOM 1775 CE LYS C 14 6.519 28.428 -4.044 1.00 0.00 C ATOM 1776 NZ LYS C 14 5.886 29.645 -3.471 1.00 0.00 N ATOM 0 H LYS C 14 5.946 23.217 0.038 1.00 0.00 H new ATOM 0 HA LYS C 14 4.868 25.898 0.382 1.00 0.00 H new ATOM 0 HB2 LYS C 14 7.158 26.283 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS C 14 6.919 25.089 -1.744 1.00 0.00 H new ATOM 0 HG2 LYS C 14 5.119 26.551 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS C 14 5.483 27.761 -1.511 1.00 0.00 H new ATOM 0 HD2 LYS C 14 7.766 28.009 -2.347 1.00 0.00 H new ATOM 0 HD3 LYS C 14 7.566 26.653 -3.439 1.00 0.00 H new ATOM 0 HE2 LYS C 14 7.341 28.722 -4.696 1.00 0.00 H new ATOM 0 HE3 LYS C 14 5.793 27.902 -4.664 1.00 0.00 H new ATOM 0 HZ1 LYS C 14 5.577 30.271 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS C 14 5.063 29.371 -2.897 1.00 0.00 H new ATOM 0 HZ3 LYS C 14 6.574 30.146 -2.873 1.00 0.00 H new ATOM 1790 N CYS C 15 4.174 23.481 -1.707 1.00 0.00 N ATOM 1791 CA CYS C 15 3.224 23.134 -2.767 1.00 0.00 C ATOM 1792 C CYS C 15 2.203 22.066 -2.390 1.00 0.00 C ATOM 1793 O CYS C 15 1.881 21.196 -3.204 1.00 0.00 O ATOM 1794 CB CYS C 15 4.005 22.623 -3.966 1.00 0.00 C ATOM 1795 SG CYS C 15 5.182 21.318 -3.552 1.00 0.00 S ATOM 0 H CYS C 15 4.785 22.727 -1.392 1.00 0.00 H new ATOM 0 HA CYS C 15 2.663 24.045 -2.974 1.00 0.00 H new ATOM 0 HB2 CYS C 15 3.305 22.247 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS C 15 4.542 23.455 -4.422 1.00 0.00 H new ATOM 1800 N GLU C 16 1.599 22.211 -1.232 1.00 0.00 N ATOM 1801 CA GLU C 16 0.682 21.213 -0.710 1.00 0.00 C ATOM 1802 C GLU C 16 -0.735 21.496 -1.147 1.00 0.00 C ATOM 1803 O GLU C 16 -1.690 21.086 -0.489 1.00 0.00 O ATOM 1804 CB GLU C 16 0.713 21.231 0.818 1.00 0.00 C ATOM 1805 CG GLU C 16 1.785 22.114 1.422 1.00 0.00 C ATOM 1806 CD GLU C 16 1.353 23.566 1.503 1.00 0.00 C ATOM 1807 OE1 GLU C 16 1.346 24.245 0.457 1.00 0.00 O ATOM 1808 OE2 GLU C 16 1.005 24.030 2.608 1.00 0.00 O ATOM 0 H GLU C 16 1.726 23.020 -0.624 1.00 0.00 H new ATOM 0 HA GLU C 16 0.996 20.243 -1.094 1.00 0.00 H new ATOM 0 HB2 GLU C 16 -0.259 21.563 1.183 1.00 0.00 H new ATOM 0 HB3 GLU C 16 0.857 20.212 1.176 1.00 0.00 H new ATOM 0 HG2 GLU C 16 2.030 21.753 2.421 1.00 0.00 H new ATOM 0 HG3 GLU C 16 2.694 22.040 0.825 1.00 0.00 H new ATOM 1815 N ARG C 17 -0.886 22.198 -2.255 1.00 0.00 N ATOM 1816 CA ARG C 17 -2.191 22.617 -2.701 1.00 0.00 C ATOM 1817 C ARG C 17 -2.159 22.656 -4.225 1.00 0.00 C ATOM 1818 O ARG C 17 -3.186 22.564 -4.891 1.00 0.00 O ATOM 1819 CB ARG C 17 -2.602 23.983 -2.128 1.00 0.00 C ATOM 1820 CG ARG C 17 -1.809 25.177 -2.650 1.00 0.00 C ATOM 1821 CD ARG C 17 -0.504 25.383 -1.898 1.00 0.00 C ATOM 1822 NE ARG C 17 0.055 26.709 -2.158 1.00 0.00 N ATOM 1823 CZ ARG C 17 0.799 27.392 -1.285 1.00 0.00 C ATOM 1824 NH1 ARG C 17 1.216 26.820 -0.160 1.00 0.00 N ATOM 1825 NH2 ARG C 17 1.165 28.635 -1.563 1.00 0.00 N ATOM 0 H ARG C 17 -0.117 22.488 -2.859 1.00 0.00 H new ATOM 0 HA ARG C 17 -2.938 21.910 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -3.658 24.146 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -2.502 23.948 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -1.595 25.032 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -2.418 26.077 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -0.675 25.261 -0.828 1.00 0.00 H new ATOM 0 HD3 ARG C 17 0.214 24.619 -2.195 1.00 0.00 H new ATOM 0 HE ARG C 17 -0.135 27.139 -3.063 1.00 0.00 H new ATOM 0 HH11 ARG C 17 0.968 25.851 0.042 1.00 0.00 H new ATOM 0 HH12 ARG C 17 1.784 27.350 0.501 1.00 0.00 H new ATOM 0 HH21 ARG C 17 0.878 29.067 -2.442 1.00 0.00 H new ATOM 0 HH22 ARG C 17 1.733 29.160 -0.898 1.00 0.00 H new ATOM 1839 N ALA C 18 -0.935 22.779 -4.768 1.00 0.00 N ATOM 1840 CA ALA C 18 -0.758 23.016 -6.194 1.00 0.00 C ATOM 1841 C ALA C 18 -0.090 21.837 -6.887 1.00 0.00 C ATOM 1842 O ALA C 18 -0.450 21.475 -8.003 1.00 0.00 O ATOM 1843 CB ALA C 18 0.051 24.284 -6.421 1.00 0.00 C ATOM 0 H ALA C 18 -0.066 22.717 -4.238 1.00 0.00 H new ATOM 0 HA ALA C 18 -1.749 23.137 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA C 18 0.176 24.449 -7.491 1.00 0.00 H new ATOM 0 HB2 ALA C 18 -0.472 25.133 -5.981 1.00 0.00 H new ATOM 0 HB3 ALA C 18 1.030 24.180 -5.953 1.00 0.00 H new ATOM 1849 N GLY C 19 0.885 21.237 -6.214 1.00 0.00 N ATOM 1850 CA GLY C 19 1.583 20.107 -6.791 1.00 0.00 C ATOM 1851 C GLY C 19 2.800 20.523 -7.596 1.00 0.00 C ATOM 1852 O GLY C 19 3.395 19.707 -8.294 1.00 0.00 O ATOM 0 H GLY C 19 1.202 21.512 -5.284 1.00 0.00 H new ATOM 0 HA2 GLY C 19 1.893 19.430 -5.994 1.00 0.00 H new ATOM 0 HA3 GLY C 19 0.899 19.552 -7.433 1.00 0.00 H new ATOM 1856 N GLU C 20 3.205 21.775 -7.448 1.00 0.00 N ATOM 1857 CA GLU C 20 4.290 22.330 -8.246 1.00 0.00 C ATOM 1858 C GLU C 20 4.979 23.444 -7.487 1.00 0.00 C ATOM 1859 O GLU C 20 4.430 23.977 -6.527 1.00 0.00 O ATOM 1860 CB GLU C 20 3.777 22.875 -9.582 1.00 0.00 C ATOM 1861 CG GLU C 20 2.693 23.930 -9.432 1.00 0.00 C ATOM 1862 CD GLU C 20 2.353 24.603 -10.743 1.00 0.00 C ATOM 1863 OE1 GLU C 20 2.991 25.623 -11.075 1.00 0.00 O ATOM 1864 OE2 GLU C 20 1.440 24.119 -11.443 1.00 0.00 O ATOM 0 H GLU C 20 2.797 22.429 -6.780 1.00 0.00 H new ATOM 0 HA GLU C 20 4.997 21.525 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU C 20 4.613 23.301 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU C 20 3.388 22.049 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU C 20 1.795 23.468 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU C 20 3.020 24.683 -8.715 1.00 0.00 H new ATOM 1871 N ILE C 21 6.173 23.792 -7.927 1.00 0.00 N ATOM 1872 CA ILE C 21 6.916 24.900 -7.356 1.00 0.00 C ATOM 1873 C ILE C 21 7.711 25.566 -8.464 1.00 0.00 C ATOM 1874 O ILE C 21 8.469 24.903 -9.169 1.00 0.00 O ATOM 1875 CB ILE C 21 7.859 24.471 -6.198 1.00 0.00 C ATOM 1876 CG1 ILE C 21 7.035 24.068 -4.966 1.00 0.00 C ATOM 1877 CG2 ILE C 21 8.822 25.599 -5.854 1.00 0.00 C ATOM 1878 CD1 ILE C 21 7.847 23.763 -3.718 1.00 0.00 C ATOM 0 H ILE C 21 6.655 23.316 -8.689 1.00 0.00 H new ATOM 0 HA ILE C 21 6.200 25.595 -6.918 1.00 0.00 H new ATOM 0 HB ILE C 21 8.443 23.609 -6.521 1.00 0.00 H new ATOM 0 HG12 ILE C 21 6.335 24.872 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE C 21 6.441 23.190 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE C 21 9.476 25.284 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE C 21 9.423 25.844 -6.730 1.00 0.00 H new ATOM 0 HG23 ILE C 21 8.257 26.478 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE C 21 7.175 23.489 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE C 21 8.528 22.936 -3.920 1.00 0.00 H new ATOM 0 HD13 ILE C 21 8.421 24.645 -3.433 1.00 0.00 H new ATOM 1890 N GLU C 22 7.525 26.871 -8.609 1.00 0.00 N ATOM 1891 CA GLU C 22 8.096 27.618 -9.726 1.00 0.00 C ATOM 1892 C GLU C 22 7.706 26.983 -11.060 1.00 0.00 C ATOM 1893 O GLU C 22 8.541 26.816 -11.948 1.00 0.00 O ATOM 1894 CB GLU C 22 9.618 27.657 -9.596 1.00 0.00 C ATOM 1895 CG GLU C 22 10.228 29.024 -9.875 1.00 0.00 C ATOM 1896 CD GLU C 22 9.928 29.542 -11.267 1.00 0.00 C ATOM 1897 OE1 GLU C 22 8.889 30.214 -11.449 1.00 0.00 O ATOM 1898 OE2 GLU C 22 10.733 29.286 -12.184 1.00 0.00 O ATOM 0 H GLU C 22 6.979 27.440 -7.962 1.00 0.00 H new ATOM 0 HA GLU C 22 7.702 28.634 -9.700 1.00 0.00 H new ATOM 0 HB2 GLU C 22 9.895 27.346 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU C 22 10.050 26.930 -10.284 1.00 0.00 H new ATOM 0 HG2 GLU C 22 9.854 29.738 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU C 22 11.308 28.966 -9.741 1.00 0.00 H new ATOM 1905 N GLY C 23 6.438 26.606 -11.186 1.00 0.00 N ATOM 1906 CA GLY C 23 5.962 25.968 -12.402 1.00 0.00 C ATOM 1907 C GLY C 23 6.668 24.668 -12.737 1.00 0.00 C ATOM 1908 O GLY C 23 6.450 24.101 -13.810 1.00 0.00 O ATOM 0 H GLY C 23 5.728 26.731 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY C 23 4.894 25.774 -12.303 1.00 0.00 H new ATOM 0 HA3 GLY C 23 6.085 26.661 -13.235 1.00 0.00 H new ATOM 1912 N THR C 24 7.505 24.181 -11.835 1.00 0.00 N ATOM 1913 CA THR C 24 8.299 23.002 -12.121 1.00 0.00 C ATOM 1914 C THR C 24 7.984 21.875 -11.124 1.00 0.00 C ATOM 1915 O THR C 24 7.528 22.136 -10.002 1.00 0.00 O ATOM 1916 CB THR C 24 9.804 23.378 -12.112 1.00 0.00 C ATOM 1917 OG1 THR C 24 10.515 22.628 -13.109 1.00 0.00 O ATOM 1918 CG2 THR C 24 10.452 23.140 -10.751 1.00 0.00 C ATOM 0 H THR C 24 7.650 24.581 -10.908 1.00 0.00 H new ATOM 0 HA THR C 24 8.046 22.627 -13.112 1.00 0.00 H new ATOM 0 HB THR C 24 9.862 24.444 -12.334 1.00 0.00 H new ATOM 0 HG1 THR C 24 11.463 22.878 -13.092 1.00 0.00 H new ATOM 0 HG21 THR C 24 11.505 23.418 -10.796 1.00 0.00 H new ATOM 0 HG22 THR C 24 9.948 23.746 -9.997 1.00 0.00 H new ATOM 0 HG23 THR C 24 10.366 22.086 -10.486 1.00 0.00 H new ATOM 1926 N PRO C 25 8.175 20.604 -11.546 1.00 0.00 N ATOM 1927 CA PRO C 25 7.960 19.433 -10.691 1.00 0.00 C ATOM 1928 C PRO C 25 8.760 19.533 -9.403 1.00 0.00 C ATOM 1929 O PRO C 25 9.978 19.687 -9.416 1.00 0.00 O ATOM 1930 CB PRO C 25 8.435 18.249 -11.546 1.00 0.00 C ATOM 1931 CG PRO C 25 9.252 18.866 -12.629 1.00 0.00 C ATOM 1932 CD PRO C 25 8.627 20.207 -12.882 1.00 0.00 C ATOM 0 HA PRO C 25 6.920 19.334 -10.381 1.00 0.00 H new ATOM 0 HB2 PRO C 25 9.025 17.547 -10.957 1.00 0.00 H new ATOM 0 HB3 PRO C 25 7.592 17.693 -11.955 1.00 0.00 H new ATOM 0 HG2 PRO C 25 10.294 18.969 -12.326 1.00 0.00 H new ATOM 0 HG3 PRO C 25 9.241 18.251 -13.529 1.00 0.00 H new ATOM 0 HD2 PRO C 25 9.343 20.917 -13.296 1.00 0.00 H new ATOM 0 HD3 PRO C 25 7.799 20.142 -13.588 1.00 0.00 H new ATOM 1940 N CYS C 26 8.050 19.449 -8.297 1.00 0.00 N ATOM 1941 CA CYS C 26 8.611 19.765 -7.002 1.00 0.00 C ATOM 1942 C CYS C 26 9.484 18.634 -6.443 1.00 0.00 C ATOM 1943 O CYS C 26 9.124 17.463 -6.543 1.00 0.00 O ATOM 1944 CB CYS C 26 7.470 20.086 -6.051 1.00 0.00 C ATOM 1945 SG CYS C 26 8.012 20.649 -4.415 1.00 0.00 S ATOM 0 H CYS C 26 7.072 19.161 -8.271 1.00 0.00 H new ATOM 0 HA CYS C 26 9.270 20.626 -7.112 1.00 0.00 H new ATOM 0 HB2 CYS C 26 6.842 20.856 -6.500 1.00 0.00 H new ATOM 0 HB3 CYS C 26 6.849 19.198 -5.931 1.00 0.00 H new ATOM 1950 N PRO C 27 10.616 19.017 -5.798 1.00 0.00 N ATOM 1951 CA PRO C 27 11.660 18.130 -5.258 1.00 0.00 C ATOM 1952 C PRO C 27 11.226 16.708 -4.878 1.00 0.00 C ATOM 1953 O PRO C 27 11.798 15.726 -5.344 1.00 0.00 O ATOM 1954 CB PRO C 27 12.066 18.888 -3.995 1.00 0.00 C ATOM 1955 CG PRO C 27 11.892 20.340 -4.318 1.00 0.00 C ATOM 1956 CD PRO C 27 10.998 20.420 -5.546 1.00 0.00 C ATOM 0 HA PRO C 27 12.430 17.948 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO C 27 11.444 18.598 -3.148 1.00 0.00 H new ATOM 0 HB3 PRO C 27 13.098 18.669 -3.722 1.00 0.00 H new ATOM 0 HG2 PRO C 27 11.442 20.870 -3.479 1.00 0.00 H new ATOM 0 HG3 PRO C 27 12.856 20.810 -4.512 1.00 0.00 H new ATOM 0 HD2 PRO C 27 10.124 21.046 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO C 27 11.526 20.850 -6.397 1.00 0.00 H new ATOM 1964 N ALA C 28 10.205 16.606 -4.038 1.00 0.00 N ATOM 1965 CA ALA C 28 9.864 15.327 -3.417 1.00 0.00 C ATOM 1966 C ALA C 28 8.378 15.012 -3.543 1.00 0.00 C ATOM 1967 O ALA C 28 7.918 13.950 -3.130 1.00 0.00 O ATOM 1968 CB ALA C 28 10.286 15.330 -1.955 1.00 0.00 C ATOM 0 H ALA C 28 9.602 17.384 -3.771 1.00 0.00 H new ATOM 0 HA ALA C 28 10.407 14.544 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA C 28 10.028 14.374 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA C 28 11.363 15.486 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA C 28 9.770 16.133 -1.429 1.00 0.00 H new ATOM 1974 N CYS C 29 7.623 15.944 -4.093 1.00 0.00 N ATOM 1975 CA CYS C 29 6.204 15.731 -4.300 1.00 0.00 C ATOM 1976 C CYS C 29 5.842 16.103 -5.734 1.00 0.00 C ATOM 1977 O CYS C 29 5.542 17.261 -6.029 1.00 0.00 O ATOM 1978 CB CYS C 29 5.387 16.542 -3.271 1.00 0.00 C ATOM 1979 SG CYS C 29 5.452 18.343 -3.480 1.00 0.00 S ATOM 0 H CYS C 29 7.967 16.853 -4.403 1.00 0.00 H new ATOM 0 HA CYS C 29 5.960 14.679 -4.150 1.00 0.00 H new ATOM 0 HB2 CYS C 29 4.346 16.223 -3.325 1.00 0.00 H new ATOM 0 HB3 CYS C 29 5.744 16.295 -2.271 1.00 0.00 H new ATOM 1984 N SER C 30 5.909 15.126 -6.633 1.00 0.00 N ATOM 1985 CA SER C 30 5.675 15.358 -8.056 1.00 0.00 C ATOM 1986 C SER C 30 4.193 15.570 -8.369 1.00 0.00 C ATOM 1987 O SER C 30 3.618 14.880 -9.210 1.00 0.00 O ATOM 1988 CB SER C 30 6.216 14.168 -8.847 1.00 0.00 C ATOM 1989 OG SER C 30 7.519 13.824 -8.404 1.00 0.00 O ATOM 0 H SER C 30 6.125 14.157 -6.399 1.00 0.00 H new ATOM 0 HA SER C 30 6.195 16.272 -8.344 1.00 0.00 H new ATOM 0 HB2 SER C 30 5.549 13.314 -8.730 1.00 0.00 H new ATOM 0 HB3 SER C 30 6.240 14.411 -9.909 1.00 0.00 H new ATOM 0 HG SER C 30 7.849 13.059 -8.920 1.00 0.00 H new ATOM 1995 N GLY C 31 3.579 16.517 -7.679 1.00 0.00 N ATOM 1996 CA GLY C 31 2.215 16.880 -7.976 1.00 0.00 C ATOM 1997 C GLY C 31 1.219 16.120 -7.139 1.00 0.00 C ATOM 1998 O GLY C 31 0.229 15.608 -7.656 1.00 0.00 O ATOM 0 H GLY C 31 4.005 17.042 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY C 31 2.083 17.949 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY C 31 2.015 16.694 -9.031 1.00 0.00 H new ATOM 2002 N LYS C 32 1.468 16.052 -5.837 1.00 0.00 N ATOM 2003 CA LYS C 32 0.571 15.368 -4.920 1.00 0.00 C ATOM 2004 C LYS C 32 0.146 16.333 -3.820 1.00 0.00 C ATOM 2005 O LYS C 32 -0.996 16.324 -3.374 1.00 0.00 O ATOM 2006 CB LYS C 32 1.274 14.150 -4.313 1.00 0.00 C ATOM 2007 CG LYS C 32 1.650 13.110 -5.352 1.00 0.00 C ATOM 2008 CD LYS C 32 2.544 12.016 -4.788 1.00 0.00 C ATOM 2009 CE LYS C 32 3.857 12.578 -4.275 1.00 0.00 C ATOM 2010 NZ LYS C 32 4.909 11.535 -4.168 1.00 0.00 N ATOM 0 H LYS C 32 2.288 16.465 -5.393 1.00 0.00 H new ATOM 0 HA LYS C 32 -0.312 15.026 -5.460 1.00 0.00 H new ATOM 0 HB2 LYS C 32 2.173 14.478 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS C 32 0.622 13.694 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS C 32 0.743 12.661 -5.756 1.00 0.00 H new ATOM 0 HG3 LYS C 32 2.160 13.599 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS C 32 2.026 11.503 -3.978 1.00 0.00 H new ATOM 0 HD3 LYS C 32 2.742 11.273 -5.560 1.00 0.00 H new ATOM 0 HE2 LYS C 32 4.198 13.369 -4.943 1.00 0.00 H new ATOM 0 HE3 LYS C 32 3.698 13.033 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS C 32 5.788 11.964 -3.814 1.00 0.00 H new ATOM 0 HZ2 LYS C 32 4.596 10.793 -3.510 1.00 0.00 H new ATOM 0 HZ3 LYS C 32 5.080 11.117 -5.105 1.00 0.00 H new ATOM 2024 N GLY C 33 1.094 17.161 -3.374 1.00 0.00 N ATOM 2025 CA GLY C 33 0.819 18.136 -2.358 1.00 0.00 C ATOM 2026 C GLY C 33 1.602 17.829 -1.105 1.00 0.00 C ATOM 2027 O GLY C 33 2.170 18.721 -0.477 1.00 0.00 O ATOM 0 H GLY C 33 2.056 17.162 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY C 33 1.078 19.131 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -0.248 18.146 -2.134 1.00 0.00 H new ATOM 2031 N VAL C 34 1.707 16.551 -0.780 1.00 0.00 N ATOM 2032 CA VAL C 34 2.357 16.139 0.455 1.00 0.00 C ATOM 2033 C VAL C 34 3.635 15.349 0.197 1.00 0.00 C ATOM 2034 O VAL C 34 3.885 14.882 -0.920 1.00 0.00 O ATOM 2035 CB VAL C 34 1.406 15.280 1.317 1.00 0.00 C ATOM 2036 CG1 VAL C 34 0.196 16.088 1.763 1.00 0.00 C ATOM 2037 CG2 VAL C 34 0.964 14.043 0.550 1.00 0.00 C ATOM 0 H VAL C 34 1.353 15.783 -1.351 1.00 0.00 H new ATOM 0 HA VAL C 34 2.616 17.054 0.987 1.00 0.00 H new ATOM 0 HB VAL C 34 1.950 14.963 2.207 1.00 0.00 H new ATOM 0 HG11 VAL C 34 -0.458 15.460 2.368 1.00 0.00 H new ATOM 0 HG12 VAL C 34 0.527 16.943 2.353 1.00 0.00 H new ATOM 0 HG13 VAL C 34 -0.349 16.441 0.887 1.00 0.00 H new ATOM 0 HG21 VAL C 34 0.294 13.449 1.172 1.00 0.00 H new ATOM 0 HG22 VAL C 34 0.443 14.345 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL C 34 1.838 13.447 0.286 1.00 0.00 H new ATOM 2047 N ILE C 35 4.452 15.247 1.237 1.00 0.00 N ATOM 2048 CA ILE C 35 5.642 14.407 1.231 1.00 0.00 C ATOM 2049 C ILE C 35 5.598 13.460 2.424 1.00 0.00 C ATOM 2050 O ILE C 35 4.920 13.730 3.410 1.00 0.00 O ATOM 2051 CB ILE C 35 6.942 15.241 1.274 1.00 0.00 C ATOM 2052 CG1 ILE C 35 6.907 16.239 2.433 1.00 0.00 C ATOM 2053 CG2 ILE C 35 7.152 15.964 -0.049 1.00 0.00 C ATOM 2054 CD1 ILE C 35 8.177 17.051 2.580 1.00 0.00 C ATOM 0 H ILE C 35 4.307 15.748 2.114 1.00 0.00 H new ATOM 0 HA ILE C 35 5.647 13.841 0.299 1.00 0.00 H new ATOM 0 HB ILE C 35 7.780 14.563 1.435 1.00 0.00 H new ATOM 0 HG12 ILE C 35 6.067 16.919 2.289 1.00 0.00 H new ATOM 0 HG13 ILE C 35 6.724 15.697 3.361 1.00 0.00 H new ATOM 0 HG21 ILE C 35 8.072 16.547 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE C 35 7.225 15.234 -0.855 1.00 0.00 H new ATOM 0 HG23 ILE C 35 6.310 16.629 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE C 35 8.076 17.735 3.422 1.00 0.00 H new ATOM 0 HD12 ILE C 35 9.019 16.381 2.756 1.00 0.00 H new ATOM 0 HD13 ILE C 35 8.352 17.621 1.668 1.00 0.00 H new ATOM 2066 N LEU C 36 6.316 12.355 2.330 1.00 0.00 N ATOM 2067 CA LEU C 36 6.186 11.285 3.312 1.00 0.00 C ATOM 2068 C LEU C 36 7.118 11.463 4.499 1.00 0.00 C ATOM 2069 O LEU C 36 8.132 12.160 4.425 1.00 0.00 O ATOM 2070 CB LEU C 36 6.446 9.922 2.664 1.00 0.00 C ATOM 2071 CG LEU C 36 5.556 9.601 1.463 1.00 0.00 C ATOM 2072 CD1 LEU C 36 6.188 10.089 0.169 1.00 0.00 C ATOM 2073 CD2 LEU C 36 5.273 8.117 1.396 1.00 0.00 C ATOM 0 H LEU C 36 6.993 12.172 1.589 1.00 0.00 H new ATOM 0 HA LEU C 36 5.162 11.331 3.682 1.00 0.00 H new ATOM 0 HB2 LEU C 36 7.488 9.879 2.347 1.00 0.00 H new ATOM 0 HB3 LEU C 36 6.309 9.146 3.417 1.00 0.00 H new ATOM 0 HG LEU C 36 4.610 10.127 1.591 1.00 0.00 H new ATOM 0 HD11 LEU C 36 5.534 9.848 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU C 36 6.331 11.168 0.218 1.00 0.00 H new ATOM 0 HD13 LEU C 36 7.153 9.601 0.029 1.00 0.00 H new ATOM 0 HD21 LEU C 36 4.638 7.906 0.535 1.00 0.00 H new ATOM 0 HD22 LEU C 36 6.212 7.572 1.297 1.00 0.00 H new ATOM 0 HD23 LEU C 36 4.765 7.802 2.307 1.00 0.00 H new ATOM 2085 N THR C 37 6.751 10.810 5.588 1.00 0.00 N ATOM 2086 CA THR C 37 7.581 10.736 6.772 1.00 0.00 C ATOM 2087 C THR C 37 8.166 9.330 6.856 1.00 0.00 C ATOM 2088 O THR C 37 7.810 8.481 6.045 1.00 0.00 O ATOM 2089 CB THR C 37 6.764 11.064 8.049 1.00 0.00 C ATOM 2090 OG1 THR C 37 7.597 11.019 9.213 1.00 0.00 O ATOM 2091 CG2 THR C 37 5.599 10.100 8.224 1.00 0.00 C ATOM 0 H THR C 37 5.864 10.314 5.673 1.00 0.00 H new ATOM 0 HA THR C 37 8.382 11.473 6.704 1.00 0.00 H new ATOM 0 HB THR C 37 6.369 12.073 7.929 1.00 0.00 H new ATOM 0 HG1 THR C 37 7.062 11.231 10.006 1.00 0.00 H new ATOM 0 HG21 THR C 37 5.047 10.357 9.128 1.00 0.00 H new ATOM 0 HG22 THR C 37 4.936 10.170 7.362 1.00 0.00 H new ATOM 0 HG23 THR C 37 5.979 9.082 8.308 1.00 0.00 H new ATOM 2099 N ALA C 38 9.043 9.085 7.820 1.00 0.00 N ATOM 2100 CA ALA C 38 9.750 7.806 7.929 1.00 0.00 C ATOM 2101 C ALA C 38 8.793 6.619 7.885 1.00 0.00 C ATOM 2102 O ALA C 38 9.032 5.652 7.161 1.00 0.00 O ATOM 2103 CB ALA C 38 10.572 7.780 9.203 1.00 0.00 C ATOM 0 H ALA C 38 9.287 9.759 8.546 1.00 0.00 H new ATOM 0 HA ALA C 38 10.413 7.716 7.069 1.00 0.00 H new ATOM 0 HB1 ALA C 38 11.095 6.827 9.279 1.00 0.00 H new ATOM 0 HB2 ALA C 38 11.298 8.592 9.184 1.00 0.00 H new ATOM 0 HB3 ALA C 38 9.914 7.902 10.063 1.00 0.00 H new ATOM 2109 N GLN C 39 7.715 6.694 8.656 1.00 0.00 N ATOM 2110 CA GLN C 39 6.700 5.647 8.653 1.00 0.00 C ATOM 2111 C GLN C 39 6.109 5.448 7.257 1.00 0.00 C ATOM 2112 O GLN C 39 5.973 4.319 6.786 1.00 0.00 O ATOM 2113 CB GLN C 39 5.588 5.984 9.640 1.00 0.00 C ATOM 2114 CG GLN C 39 4.649 4.818 9.887 1.00 0.00 C ATOM 2115 CD GLN C 39 3.639 5.087 10.978 1.00 0.00 C ATOM 2116 OE1 GLN C 39 3.895 5.846 11.912 1.00 0.00 O ATOM 2117 NE2 GLN C 39 2.486 4.453 10.868 1.00 0.00 N ATOM 0 H GLN C 39 7.521 7.468 9.291 1.00 0.00 H new ATOM 0 HA GLN C 39 7.182 4.718 8.956 1.00 0.00 H new ATOM 0 HB2 GLN C 39 6.030 6.295 10.586 1.00 0.00 H new ATOM 0 HB3 GLN C 39 5.016 6.831 9.261 1.00 0.00 H new ATOM 0 HG2 GLN C 39 4.121 4.583 8.963 1.00 0.00 H new ATOM 0 HG3 GLN C 39 5.235 3.938 10.152 1.00 0.00 H new ATOM 0 HE21 GLN C 39 2.318 3.833 10.076 1.00 0.00 H new ATOM 0 HE22 GLN C 39 1.763 4.583 11.575 1.00 0.00 H new ATOM 2126 N GLY C 40 5.764 6.550 6.601 1.00 0.00 N ATOM 2127 CA GLY C 40 5.237 6.477 5.254 1.00 0.00 C ATOM 2128 C GLY C 40 6.289 6.021 4.269 1.00 0.00 C ATOM 2129 O GLY C 40 5.977 5.417 3.249 1.00 0.00 O ATOM 0 H GLY C 40 5.841 7.494 6.980 1.00 0.00 H new ATOM 0 HA2 GLY C 40 4.392 5.788 5.230 1.00 0.00 H new ATOM 0 HA3 GLY C 40 4.859 7.455 4.957 1.00 0.00 H new ATOM 2133 N TYR C 41 7.544 6.299 4.584 1.00 0.00 N ATOM 2134 CA TYR C 41 8.652 5.840 3.766 1.00 0.00 C ATOM 2135 C TYR C 41 8.834 4.335 3.878 1.00 0.00 C ATOM 2136 O TYR C 41 9.227 3.683 2.908 1.00 0.00 O ATOM 2137 CB TYR C 41 9.938 6.561 4.178 1.00 0.00 C ATOM 2138 CG TYR C 41 10.232 7.807 3.373 1.00 0.00 C ATOM 2139 CD1 TYR C 41 10.780 7.714 2.101 1.00 0.00 C ATOM 2140 CD2 TYR C 41 9.963 9.070 3.878 1.00 0.00 C ATOM 2141 CE1 TYR C 41 11.051 8.844 1.357 1.00 0.00 C ATOM 2142 CE2 TYR C 41 10.231 10.206 3.139 1.00 0.00 C ATOM 2143 CZ TYR C 41 10.775 10.087 1.880 1.00 0.00 C ATOM 2144 OH TYR C 41 11.040 11.214 1.137 1.00 0.00 O ATOM 0 H TYR C 41 7.820 6.842 5.402 1.00 0.00 H new ATOM 0 HA TYR C 41 8.426 6.073 2.725 1.00 0.00 H new ATOM 0 HB2 TYR C 41 9.869 6.830 5.232 1.00 0.00 H new ATOM 0 HB3 TYR C 41 10.776 5.871 4.079 1.00 0.00 H new ATOM 0 HD1 TYR C 41 10.998 6.741 1.687 1.00 0.00 H new ATOM 0 HD2 TYR C 41 9.537 9.167 4.866 1.00 0.00 H new ATOM 0 HE1 TYR C 41 11.478 8.754 0.369 1.00 0.00 H new ATOM 0 HE2 TYR C 41 10.015 11.182 3.547 1.00 0.00 H new ATOM 0 HH TYR C 41 10.787 12.010 1.649 1.00 0.00 H new ATOM 2154 N THR C 42 8.536 3.775 5.039 1.00 0.00 N ATOM 2155 CA THR C 42 8.526 2.328 5.192 1.00 0.00 C ATOM 2156 C THR C 42 7.345 1.714 4.443 1.00 0.00 C ATOM 2157 O THR C 42 7.447 0.630 3.859 1.00 0.00 O ATOM 2158 CB THR C 42 8.431 1.940 6.675 1.00 0.00 C ATOM 2159 OG1 THR C 42 9.369 2.712 7.430 1.00 0.00 O ATOM 2160 CG2 THR C 42 8.714 0.460 6.867 1.00 0.00 C ATOM 0 H THR C 42 8.299 4.295 5.884 1.00 0.00 H new ATOM 0 HA THR C 42 9.458 1.946 4.776 1.00 0.00 H new ATOM 0 HB THR C 42 7.419 2.144 7.024 1.00 0.00 H new ATOM 0 HG1 THR C 42 9.101 3.655 7.419 1.00 0.00 H new ATOM 0 HG21 THR C 42 8.641 0.210 7.925 1.00 0.00 H new ATOM 0 HG22 THR C 42 7.987 -0.125 6.305 1.00 0.00 H new ATOM 0 HG23 THR C 42 9.718 0.232 6.509 1.00 0.00 H new ATOM 2168 N LEU C 43 6.240 2.445 4.409 1.00 0.00 N ATOM 2169 CA LEU C 43 5.015 1.936 3.821 1.00 0.00 C ATOM 2170 C LEU C 43 4.990 2.194 2.318 1.00 0.00 C ATOM 2171 O LEU C 43 4.228 1.560 1.602 1.00 0.00 O ATOM 2172 CB LEU C 43 3.781 2.570 4.494 1.00 0.00 C ATOM 2173 CG LEU C 43 3.104 1.737 5.605 1.00 0.00 C ATOM 2174 CD1 LEU C 43 4.133 1.202 6.589 1.00 0.00 C ATOM 2175 CD2 LEU C 43 2.077 2.582 6.341 1.00 0.00 C ATOM 0 H LEU C 43 6.169 3.392 4.782 1.00 0.00 H new ATOM 0 HA LEU C 43 4.983 0.859 3.987 1.00 0.00 H new ATOM 0 HB2 LEU C 43 4.078 3.529 4.918 1.00 0.00 H new ATOM 0 HB3 LEU C 43 3.040 2.778 3.723 1.00 0.00 H new ATOM 0 HG LEU C 43 2.604 0.890 5.136 1.00 0.00 H new ATOM 0 HD11 LEU C 43 3.630 0.619 7.361 1.00 0.00 H new ATOM 0 HD12 LEU C 43 4.845 0.567 6.062 1.00 0.00 H new ATOM 0 HD13 LEU C 43 4.662 2.035 7.051 1.00 0.00 H new ATOM 0 HD21 LEU C 43 1.606 1.984 7.122 1.00 0.00 H new ATOM 0 HD22 LEU C 43 2.570 3.444 6.791 1.00 0.00 H new ATOM 0 HD23 LEU C 43 1.317 2.925 5.639 1.00 0.00 H new ATOM 2187 N LEU C 44 5.844 3.094 1.822 1.00 0.00 N ATOM 2188 CA LEU C 44 5.854 3.390 0.395 1.00 0.00 C ATOM 2189 C LEU C 44 6.708 2.372 -0.356 1.00 0.00 C ATOM 2190 O LEU C 44 6.315 1.898 -1.409 1.00 0.00 O ATOM 2191 CB LEU C 44 6.312 4.842 0.110 1.00 0.00 C ATOM 2192 CG LEU C 44 7.821 5.094 -0.071 1.00 0.00 C ATOM 2193 CD1 LEU C 44 8.280 4.716 -1.475 1.00 0.00 C ATOM 2194 CD2 LEU C 44 8.156 6.552 0.183 1.00 0.00 C ATOM 0 H LEU C 44 6.521 3.618 2.376 1.00 0.00 H new ATOM 0 HA LEU C 44 4.830 3.309 0.029 1.00 0.00 H new ATOM 0 HB2 LEU C 44 5.804 5.183 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU C 44 5.963 5.471 0.929 1.00 0.00 H new ATOM 0 HG LEU C 44 8.342 4.468 0.653 1.00 0.00 H new ATOM 0 HD11 LEU C 44 9.349 4.905 -1.572 1.00 0.00 H new ATOM 0 HD12 LEU C 44 8.081 3.659 -1.650 1.00 0.00 H new ATOM 0 HD13 LEU C 44 7.738 5.313 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU C 44 9.227 6.708 0.050 1.00 0.00 H new ATOM 0 HD22 LEU C 44 7.608 7.179 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU C 44 7.875 6.818 1.202 1.00 0.00 H new ATOM 2206 N ASP C 45 7.858 2.005 0.203 1.00 0.00 N ATOM 2207 CA ASP C 45 8.767 1.071 -0.467 1.00 0.00 C ATOM 2208 C ASP C 45 8.173 -0.326 -0.491 1.00 0.00 C ATOM 2209 O ASP C 45 8.449 -1.119 -1.391 1.00 0.00 O ATOM 2210 CB ASP C 45 10.127 1.052 0.238 1.00 0.00 C ATOM 2211 CG ASP C 45 11.024 -0.086 -0.231 1.00 0.00 C ATOM 2212 OD1 ASP C 45 11.608 0.025 -1.329 1.00 0.00 O ATOM 2213 OD2 ASP C 45 11.149 -1.093 0.495 1.00 0.00 O ATOM 0 H ASP C 45 8.184 2.335 1.111 1.00 0.00 H new ATOM 0 HA ASP C 45 8.908 1.407 -1.494 1.00 0.00 H new ATOM 0 HB2 ASP C 45 10.633 2.002 0.065 1.00 0.00 H new ATOM 0 HB3 ASP C 45 9.972 0.965 1.313 1.00 0.00 H new ATOM 2218 N PHE C 46 7.304 -0.591 0.462 1.00 0.00 N ATOM 2219 CA PHE C 46 6.598 -1.857 0.520 1.00 0.00 C ATOM 2220 C PHE C 46 5.513 -1.897 -0.535 1.00 0.00 C ATOM 2221 O PHE C 46 5.326 -2.907 -1.214 1.00 0.00 O ATOM 2222 CB PHE C 46 5.966 -1.992 1.903 1.00 0.00 C ATOM 2223 CG PHE C 46 5.213 -3.267 2.135 1.00 0.00 C ATOM 2224 CD1 PHE C 46 5.865 -4.391 2.604 1.00 0.00 C ATOM 2225 CD2 PHE C 46 3.849 -3.334 1.901 1.00 0.00 C ATOM 2226 CE1 PHE C 46 5.173 -5.562 2.831 1.00 0.00 C ATOM 2227 CE2 PHE C 46 3.152 -4.501 2.128 1.00 0.00 C ATOM 2228 CZ PHE C 46 3.814 -5.616 2.594 1.00 0.00 C ATOM 0 H PHE C 46 7.067 0.058 1.213 1.00 0.00 H new ATOM 0 HA PHE C 46 7.294 -2.676 0.337 1.00 0.00 H new ATOM 0 HB2 PHE C 46 6.752 -1.910 2.654 1.00 0.00 H new ATOM 0 HB3 PHE C 46 5.287 -1.154 2.059 1.00 0.00 H new ATOM 0 HD1 PHE C 46 6.927 -4.352 2.795 1.00 0.00 H new ATOM 0 HD2 PHE C 46 3.326 -2.462 1.537 1.00 0.00 H new ATOM 0 HE1 PHE C 46 5.694 -6.436 3.194 1.00 0.00 H new ATOM 0 HE2 PHE C 46 2.089 -4.542 1.941 1.00 0.00 H new ATOM 0 HZ PHE C 46 3.270 -6.532 2.774 1.00 0.00 H new ATOM 2238 N ILE C 47 4.822 -0.791 -0.707 1.00 0.00 N ATOM 2239 CA ILE C 47 3.740 -0.756 -1.660 1.00 0.00 C ATOM 2240 C ILE C 47 4.276 -0.562 -3.077 1.00 0.00 C ATOM 2241 O ILE C 47 3.678 -1.021 -4.041 1.00 0.00 O ATOM 2242 CB ILE C 47 2.701 0.326 -1.307 1.00 0.00 C ATOM 2243 CG1 ILE C 47 3.350 1.710 -1.299 1.00 0.00 C ATOM 2244 CG2 ILE C 47 2.090 0.012 0.050 1.00 0.00 C ATOM 2245 CD1 ILE C 47 2.414 2.836 -0.917 1.00 0.00 C ATOM 0 H ILE C 47 4.988 0.082 -0.207 1.00 0.00 H new ATOM 0 HA ILE C 47 3.230 -1.718 -1.615 1.00 0.00 H new ATOM 0 HB ILE C 47 1.914 0.330 -2.061 1.00 0.00 H new ATOM 0 HG12 ILE C 47 4.190 1.700 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE C 47 3.758 1.913 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE C 47 1.354 0.775 0.303 1.00 0.00 H new ATOM 0 HG22 ILE C 47 1.604 -0.963 0.013 1.00 0.00 H new ATOM 0 HG23 ILE C 47 2.874 -0.002 0.807 1.00 0.00 H new ATOM 0 HD11 ILE C 47 2.956 3.782 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE C 47 1.586 2.877 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE C 47 2.025 2.661 0.086 1.00 0.00 H new ATOM 2257 N GLN C 48 5.415 0.106 -3.195 1.00 0.00 N ATOM 2258 CA GLN C 48 6.147 0.153 -4.448 1.00 0.00 C ATOM 2259 C GLN C 48 6.462 -1.257 -4.919 1.00 0.00 C ATOM 2260 O GLN C 48 5.979 -1.705 -5.938 1.00 0.00 O ATOM 2261 CB GLN C 48 7.460 0.919 -4.267 1.00 0.00 C ATOM 2262 CG GLN C 48 7.292 2.414 -4.065 1.00 0.00 C ATOM 2263 CD GLN C 48 6.582 3.084 -5.221 1.00 0.00 C ATOM 2264 OE1 GLN C 48 6.683 2.647 -6.366 1.00 0.00 O ATOM 2265 NE2 GLN C 48 5.860 4.150 -4.927 1.00 0.00 N ATOM 0 H GLN C 48 5.852 0.624 -2.433 1.00 0.00 H new ATOM 0 HA GLN C 48 5.528 0.660 -5.188 1.00 0.00 H new ATOM 0 HB2 GLN C 48 7.992 0.506 -3.410 1.00 0.00 H new ATOM 0 HB3 GLN C 48 8.088 0.751 -5.142 1.00 0.00 H new ATOM 0 HG2 GLN C 48 6.731 2.592 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN C 48 8.273 2.871 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN C 48 5.804 4.478 -3.963 1.00 0.00 H new ATOM 0 HE22 GLN C 48 5.358 4.645 -5.664 1.00 0.00 H new ATOM 2274 N LYS C 49 7.177 -1.976 -4.088 1.00 0.00 N ATOM 2275 CA LYS C 49 7.813 -3.236 -4.454 1.00 0.00 C ATOM 2276 C LYS C 49 6.815 -4.402 -4.501 1.00 0.00 C ATOM 2277 O LYS C 49 7.186 -5.544 -4.772 1.00 0.00 O ATOM 2278 CB LYS C 49 8.962 -3.433 -3.452 1.00 0.00 C ATOM 2279 CG LYS C 49 9.439 -4.850 -3.187 1.00 0.00 C ATOM 2280 CD LYS C 49 10.562 -4.856 -2.146 1.00 0.00 C ATOM 2281 CE LYS C 49 10.320 -3.811 -1.053 1.00 0.00 C ATOM 2282 NZ LYS C 49 11.325 -3.866 0.039 1.00 0.00 N ATOM 0 H LYS C 49 7.341 -1.704 -3.119 1.00 0.00 H new ATOM 0 HA LYS C 49 8.207 -3.209 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS C 49 9.815 -2.853 -3.804 1.00 0.00 H new ATOM 0 HB3 LYS C 49 8.653 -3.001 -2.500 1.00 0.00 H new ATOM 0 HG2 LYS C 49 8.607 -5.460 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS C 49 9.794 -5.299 -4.115 1.00 0.00 H new ATOM 0 HD2 LYS C 49 10.636 -5.845 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS C 49 11.515 -4.657 -2.636 1.00 0.00 H new ATOM 0 HE2 LYS C 49 10.332 -2.817 -1.500 1.00 0.00 H new ATOM 0 HE3 LYS C 49 9.326 -3.959 -0.631 1.00 0.00 H new ATOM 0 HZ1 LYS C 49 11.364 -2.945 0.521 1.00 0.00 H new ATOM 0 HZ2 LYS C 49 11.056 -4.603 0.721 1.00 0.00 H new ATOM 0 HZ3 LYS C 49 12.259 -4.088 -0.360 1.00 0.00 H new ATOM 2296 N HIS C 50 5.538 -4.135 -4.235 1.00 0.00 N ATOM 2297 CA HIS C 50 4.530 -5.137 -4.585 1.00 0.00 C ATOM 2298 C HIS C 50 3.501 -4.653 -5.619 1.00 0.00 C ATOM 2299 O HIS C 50 2.630 -5.424 -6.015 1.00 0.00 O ATOM 2300 CB HIS C 50 3.824 -5.643 -3.322 1.00 0.00 C ATOM 2301 CG HIS C 50 4.788 -6.158 -2.301 1.00 0.00 C ATOM 2302 ND1 HIS C 50 5.723 -7.117 -2.590 1.00 0.00 N ATOM 2303 CD2 HIS C 50 5.009 -5.797 -1.016 1.00 0.00 C ATOM 2304 CE1 HIS C 50 6.478 -7.326 -1.534 1.00 0.00 C ATOM 2305 NE2 HIS C 50 6.073 -6.537 -0.560 1.00 0.00 N ATOM 0 H HIS C 50 5.187 -3.281 -3.801 1.00 0.00 H new ATOM 0 HA HIS C 50 5.070 -5.955 -5.062 1.00 0.00 H new ATOM 0 HB2 HIS C 50 3.236 -4.834 -2.888 1.00 0.00 H new ATOM 0 HB3 HIS C 50 3.126 -6.435 -3.591 1.00 0.00 H new ATOM 0 HD2 HIS C 50 4.452 -5.063 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS C 50 7.296 -8.029 -1.475 1.00 0.00 H new ATOM 0 HE2 HIS C 50 6.480 -6.484 0.374 1.00 0.00 H new ATOM 2314 N LEU C 51 3.594 -3.403 -6.066 1.00 0.00 N ATOM 2315 CA LEU C 51 2.674 -2.909 -7.106 1.00 0.00 C ATOM 2316 C LEU C 51 3.415 -2.329 -8.310 1.00 0.00 C ATOM 2317 O LEU C 51 2.977 -2.468 -9.450 1.00 0.00 O ATOM 2318 CB LEU C 51 1.736 -1.817 -6.571 1.00 0.00 C ATOM 2319 CG LEU C 51 0.626 -2.253 -5.600 1.00 0.00 C ATOM 2320 CD1 LEU C 51 -0.182 -3.407 -6.168 1.00 0.00 C ATOM 2321 CD2 LEU C 51 1.190 -2.620 -4.245 1.00 0.00 C ATOM 0 H LEU C 51 4.278 -2.721 -5.738 1.00 0.00 H new ATOM 0 HA LEU C 51 2.098 -3.782 -7.414 1.00 0.00 H new ATOM 0 HB2 LEU C 51 2.345 -1.065 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU C 51 1.265 -1.329 -7.424 1.00 0.00 H new ATOM 0 HG LEU C 51 -0.041 -1.401 -5.470 1.00 0.00 H new ATOM 0 HD11 LEU C 51 -0.958 -3.692 -5.458 1.00 0.00 H new ATOM 0 HD12 LEU C 51 -0.643 -3.101 -7.107 1.00 0.00 H new ATOM 0 HD13 LEU C 51 0.475 -4.258 -6.347 1.00 0.00 H new ATOM 0 HD21 LEU C 51 0.379 -2.923 -3.583 1.00 0.00 H new ATOM 0 HD22 LEU C 51 1.895 -3.444 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU C 51 1.703 -1.758 -3.819 1.00 0.00 H new ATOM 2333 N ASN C 52 4.523 -1.663 -8.048 1.00 0.00 N ATOM 2334 CA ASN C 52 5.191 -0.837 -9.049 1.00 0.00 C ATOM 2335 C ASN C 52 6.679 -1.164 -9.174 1.00 0.00 C ATOM 2336 O ASN C 52 7.308 -0.858 -10.187 1.00 0.00 O ATOM 2337 CB ASN C 52 5.001 0.632 -8.677 1.00 0.00 C ATOM 2338 CG ASN C 52 3.885 1.298 -9.465 1.00 0.00 C ATOM 2339 OD1 ASN C 52 2.902 0.519 -9.895 1.00 0.00 O flip ATOM 2340 ND2 ASN C 52 3.908 2.506 -9.693 1.00 0.00 N flip ATOM 0 H ASN C 52 4.988 -1.676 -7.140 1.00 0.00 H new ATOM 0 HA ASN C 52 4.743 -1.046 -10.020 1.00 0.00 H new ATOM 0 HB2 ASN C 52 4.783 0.707 -7.612 1.00 0.00 H new ATOM 0 HB3 ASN C 52 5.933 1.170 -8.850 1.00 0.00 H new ATOM 0 HD21 ASN C 52 4.680 3.076 -9.347 1.00 0.00 H new ATOM 0 HD22 ASN C 52 3.155 2.938 -10.228 1.00 0.00 H new ATOM 2347 N LYS C 53 7.233 -1.782 -8.147 1.00 0.00 N ATOM 2348 CA LYS C 53 8.606 -2.246 -8.163 1.00 0.00 C ATOM 2349 C LYS C 53 8.616 -3.766 -8.240 1.00 0.00 C ATOM 2350 O LYS C 53 8.871 -4.302 -9.341 1.00 0.00 O ATOM 2351 CB LYS C 53 9.351 -1.788 -6.904 1.00 0.00 C ATOM 2352 CG LYS C 53 10.349 -0.672 -7.147 1.00 0.00 C ATOM 2353 CD LYS C 53 11.272 -0.494 -5.947 1.00 0.00 C ATOM 2354 CE LYS C 53 10.692 0.453 -4.915 1.00 0.00 C ATOM 2355 NZ LYS C 53 11.667 0.763 -3.836 1.00 0.00 N ATOM 2356 OXT LYS C 53 8.315 -4.415 -7.222 1.00 0.00 O ATOM 0 H LYS C 53 6.740 -1.976 -7.275 1.00 0.00 H new ATOM 0 HA LYS C 53 9.111 -1.824 -9.032 1.00 0.00 H new ATOM 0 HB2 LYS C 53 8.623 -1.455 -6.165 1.00 0.00 H new ATOM 0 HB3 LYS C 53 9.874 -2.642 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS C 53 10.940 -0.895 -8.035 1.00 0.00 H new ATOM 0 HG3 LYS C 53 9.818 0.259 -7.343 1.00 0.00 H new ATOM 0 HD2 LYS C 53 11.456 -1.464 -5.485 1.00 0.00 H new ATOM 0 HD3 LYS C 53 12.236 -0.114 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS C 53 10.385 1.378 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS C 53 9.797 0.010 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS C 53 11.368 0.300 -2.954 1.00 0.00 H new ATOM 0 HZ2 LYS C 53 12.608 0.414 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS C 53 11.708 1.792 -3.690 1.00 0.00 H new TER 2370 LYS C 53 HETATM 2371 ZN ZN A 54 -20.599 -4.314 -2.918 1.00 0.00 ZN HETATM 2372 ZN ZN B 54 14.026 -15.682 -3.256 1.00 0.00 ZN HETATM 2373 ZN ZN C 54 6.616 19.983 -2.904 1.00 0.00 ZN