USER MOD reduce.3.24.130724 H: found=0, std=0, add=1311, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1311 hydrogens (16 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 NoAdj-H: C 7 ACAHN62 : C 7 ACA N6 : C 6 ASP C :(H bumps) USER MOD NoAdj-H: C 7 ACAHN61 : C 7 ACA N6 : C 6 ASP C :(H bumps) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -0.167 (180deg=-0.857) USER MOD Single : A 8 GLN :FLIP amide:sc= 0.687 F(o=-0.08,f=0.69) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -169:sc=0.000421 USER MOD Single : A 13 TYR OH : rot 85:sc= 1.18 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0.818 (180deg=0.788) USER MOD Single : A 18 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.61) USER MOD Single : A 20 LYS NZ :NH3+ 151:sc= 1.43 (180deg=0.738) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 47:sc= 0.213 USER MOD Single : A 33 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-5.7!) USER MOD Single : A 36 ASN : amide:sc= -2.63! C(o=-2.6!,f=-3.2!) USER MOD Single : A 37 THR OG1 : rot 134:sc= -0.0946 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 1.55 (180deg=-1.53) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0859 K(o=-0.086,f=-1.1) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.6 K(o=-0.6,f=-2!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ -144:sc= -0.0801 (180deg=-0.832) USER MOD Single : B 8 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 TYR OH : rot 180:sc= 0 USER MOD Single : B 14 SER OG : rot 180:sc= -0.03 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 HIS : no HD1:sc= -2.36 K(o=-2.4,f=-14!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 49:sc= 0.246 USER MOD Single : B 33 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-7.4!) USER MOD Single : B 36 ASN : amide:sc= -2.66! C(o=-2.7!,f=-3.2!) USER MOD Single : B 37 THR OG1 : rot 137:sc= 0.0094 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 SER OG : rot 180:sc= -0.107 USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= -0.0628 K(o=-0.063,f=-1) USER MOD Single : B 59 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 ASN : amide:sc= -0.609 K(o=-0.61,f=-2!) USER MOD Single : B 72 SER OG : rot 180:sc= 0 USER MOD Single : C 1 MET CE :methyl 172:sc= 0 (180deg=-0.0927) USER MOD Single : C 8 MET CE :methyl -173:sc= 0 (180deg=-0.069) USER MOD Single : C 15 TYR OH : rot -125:sc= 0.298 USER MOD Single : C 16 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -25.003 5.034 -13.225 1.00 0.00 N ATOM 2 CA ALA A 2 -24.545 4.670 -14.598 1.00 0.00 C ATOM 3 C ALA A 2 -24.872 5.811 -15.565 1.00 0.00 C ATOM 4 O ALA A 2 -25.775 5.704 -16.370 1.00 0.00 O ATOM 5 CB ALA A 2 -25.237 3.394 -15.074 1.00 0.00 C ATOM 0 HA ALA A 2 -23.469 4.500 -14.572 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.890 3.145 -16.077 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -24.999 2.576 -14.394 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -26.316 3.550 -15.091 1.00 0.00 H new ATOM 10 N LYS A 3 -24.125 6.883 -15.459 1.00 0.00 N ATOM 11 CA LYS A 3 -24.366 8.052 -16.363 1.00 0.00 C ATOM 12 C LYS A 3 -23.045 8.512 -16.992 1.00 0.00 C ATOM 13 O LYS A 3 -22.854 8.402 -18.187 1.00 0.00 O ATOM 14 CB LYS A 3 -24.976 9.207 -15.554 1.00 0.00 C ATOM 15 CG LYS A 3 -25.477 8.684 -14.195 1.00 0.00 C ATOM 16 CD LYS A 3 -24.284 8.377 -13.275 1.00 0.00 C ATOM 17 CE LYS A 3 -24.396 9.229 -12.008 1.00 0.00 C ATOM 18 NZ LYS A 3 -24.459 10.677 -12.355 1.00 0.00 N ATOM 0 H LYS A 3 -23.364 6.999 -14.790 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.053 7.754 -17.155 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -24.232 9.989 -15.401 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.801 9.655 -16.108 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.125 9.425 -13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.075 7.784 -14.341 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.271 7.318 -13.016 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.347 8.590 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -25.287 8.944 -11.449 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.540 9.041 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -24.053 11.238 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -23.918 10.849 -13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.450 10.956 -12.502 1.00 0.00 H new ATOM 32 N GLU A 4 -22.163 9.018 -16.173 1.00 0.00 N ATOM 33 CA GLU A 4 -20.850 9.489 -16.706 1.00 0.00 C ATOM 34 C GLU A 4 -19.732 9.192 -15.701 1.00 0.00 C ATOM 35 O GLU A 4 -19.808 9.587 -14.555 1.00 0.00 O ATOM 36 CB GLU A 4 -20.923 10.994 -16.956 1.00 0.00 C ATOM 37 CG GLU A 4 -22.170 11.303 -17.788 1.00 0.00 C ATOM 38 CD GLU A 4 -22.095 12.744 -18.299 1.00 0.00 C ATOM 39 OE1 GLU A 4 -21.086 13.368 -18.009 1.00 0.00 O ATOM 40 OE2 GLU A 4 -23.049 13.137 -18.949 1.00 0.00 O ATOM 0 H GLU A 4 -22.292 9.126 -15.167 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.633 8.967 -17.638 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -20.960 11.531 -16.008 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -20.029 11.332 -17.479 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -22.242 10.611 -18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -23.067 11.166 -17.184 1.00 0.00 H new ATOM 47 N LEU A 5 -18.719 8.502 -16.158 1.00 0.00 N ATOM 48 CA LEU A 5 -17.576 8.165 -15.252 1.00 0.00 C ATOM 49 C LEU A 5 -16.250 8.490 -15.945 1.00 0.00 C ATOM 50 O LEU A 5 -16.032 8.113 -17.079 1.00 0.00 O ATOM 51 CB LEU A 5 -17.626 6.673 -14.924 1.00 0.00 C ATOM 52 CG LEU A 5 -18.839 6.390 -14.036 1.00 0.00 C ATOM 53 CD1 LEU A 5 -19.668 5.269 -14.664 1.00 0.00 C ATOM 54 CD2 LEU A 5 -18.358 5.948 -12.653 1.00 0.00 C ATOM 0 H LEU A 5 -18.632 8.158 -17.114 1.00 0.00 H new ATOM 0 HA LEU A 5 -17.652 8.750 -14.336 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -17.689 6.089 -15.842 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.711 6.370 -14.416 1.00 0.00 H new ATOM 0 HG LEU A 5 -19.447 7.290 -13.942 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -20.535 5.062 -14.036 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -20.003 5.575 -15.655 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -19.058 4.369 -14.749 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -19.219 5.745 -12.016 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -17.756 5.044 -12.749 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -17.755 6.739 -12.207 1.00 0.00 H new ATOM 66 N ARG A 6 -15.388 9.183 -15.247 1.00 0.00 N ATOM 67 CA ARG A 6 -14.076 9.547 -15.858 1.00 0.00 C ATOM 68 C ARG A 6 -12.989 8.559 -15.427 1.00 0.00 C ATOM 69 O ARG A 6 -13.081 7.946 -14.383 1.00 0.00 O ATOM 70 CB ARG A 6 -13.671 10.959 -15.410 1.00 0.00 C ATOM 71 CG ARG A 6 -14.919 11.824 -15.184 1.00 0.00 C ATOM 72 CD ARG A 6 -15.723 11.906 -16.481 1.00 0.00 C ATOM 73 NE ARG A 6 -16.633 13.084 -16.409 1.00 0.00 N ATOM 74 CZ ARG A 6 -16.389 14.128 -17.151 1.00 0.00 C ATOM 75 NH1 ARG A 6 -16.892 14.176 -18.353 1.00 0.00 N ATOM 76 NH2 ARG A 6 -15.650 15.089 -16.666 1.00 0.00 N ATOM 0 H ARG A 6 -15.533 9.509 -14.292 1.00 0.00 H new ATOM 0 HA ARG A 6 -14.180 9.514 -16.942 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -13.088 10.903 -14.491 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -13.033 11.419 -16.165 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.532 11.397 -14.390 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -14.628 12.823 -14.860 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.052 11.999 -17.335 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.299 10.992 -16.626 1.00 0.00 H new ATOM 0 HE ARG A 6 -17.440 13.074 -15.785 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -17.465 13.405 -18.697 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -16.713 14.984 -18.949 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -15.274 15.016 -15.721 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.449 15.913 -17.232 1.00 0.00 H new ATOM 90 N CYS A 7 -11.977 8.432 -16.246 1.00 0.00 N ATOM 91 CA CYS A 7 -10.865 7.499 -15.902 1.00 0.00 C ATOM 92 C CYS A 7 -10.186 7.955 -14.607 1.00 0.00 C ATOM 93 O CYS A 7 -10.257 9.112 -14.247 1.00 0.00 O ATOM 94 CB CYS A 7 -9.841 7.507 -17.036 1.00 0.00 C ATOM 95 SG CYS A 7 -10.208 6.514 -18.502 1.00 0.00 S ATOM 0 H CYS A 7 -11.873 8.930 -17.130 1.00 0.00 H new ATOM 0 HA CYS A 7 -11.263 6.494 -15.764 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -9.702 8.540 -17.356 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.888 7.168 -16.630 1.00 0.00 H new ATOM 100 N GLN A 8 -9.483 7.056 -13.908 1.00 0.00 N ATOM 101 CA GLN A 8 -8.801 7.387 -12.661 1.00 0.00 C ATOM 102 C GLN A 8 -7.733 8.450 -12.908 1.00 0.00 C ATOM 103 O GLN A 8 -7.697 9.461 -12.207 1.00 0.00 O ATOM 104 CB GLN A 8 -8.230 6.114 -12.019 1.00 0.00 C ATOM 105 CG GLN A 8 -9.250 5.513 -11.043 1.00 0.00 C ATOM 106 CD GLN A 8 -9.233 6.230 -9.696 1.00 0.00 C ATOM 107 OE1 GLN A 8 -8.286 5.870 -8.827 1.00 0.00 O flip ATOM 108 NE2 GLN A 8 -10.063 7.099 -9.441 1.00 0.00 N flip ATOM 0 H GLN A 8 -9.374 6.083 -14.194 1.00 0.00 H new ATOM 0 HA GLN A 8 -9.514 7.812 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.983 5.387 -12.792 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.304 6.347 -11.492 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.248 5.576 -11.476 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.032 4.455 -10.895 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.771 7.346 -10.132 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.044 7.573 -8.538 1.00 0.00 H new ATOM 117 N CYS A 9 -6.879 8.233 -13.911 1.00 0.00 N ATOM 118 CA CYS A 9 -5.934 9.239 -14.360 1.00 0.00 C ATOM 119 C CYS A 9 -6.658 10.267 -15.220 1.00 0.00 C ATOM 120 O CYS A 9 -6.828 10.075 -16.423 1.00 0.00 O ATOM 121 CB CYS A 9 -4.762 8.599 -15.108 1.00 0.00 C ATOM 122 SG CYS A 9 -3.655 7.661 -14.035 1.00 0.00 S ATOM 0 H CYS A 9 -6.829 7.356 -14.429 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.514 9.748 -13.493 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -5.152 7.938 -15.882 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.192 9.380 -15.612 1.00 0.00 H new ATOM 127 N ILE A 10 -7.068 11.364 -14.573 1.00 0.00 N ATOM 128 CA ILE A 10 -7.626 12.558 -15.196 1.00 0.00 C ATOM 129 C ILE A 10 -6.749 12.964 -16.384 1.00 0.00 C ATOM 130 O ILE A 10 -7.247 13.247 -17.472 1.00 0.00 O ATOM 131 CB ILE A 10 -7.712 13.725 -14.184 1.00 0.00 C ATOM 132 CG1 ILE A 10 -8.089 13.293 -12.754 1.00 0.00 C ATOM 133 CG2 ILE A 10 -8.722 14.761 -14.694 1.00 0.00 C ATOM 134 CD1 ILE A 10 -6.842 13.134 -11.874 1.00 0.00 C ATOM 0 H ILE A 10 -7.015 11.442 -13.557 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.636 12.333 -15.539 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.711 14.150 -14.115 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.757 14.033 -12.312 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.635 12.350 -12.788 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.787 15.586 -13.985 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -8.397 15.140 -15.663 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.701 14.294 -14.798 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.141 12.829 -10.871 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.187 12.376 -12.304 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.311 14.084 -11.821 1.00 0.00 H new ATOM 146 N LYS A 11 -5.431 12.980 -16.148 1.00 0.00 N ATOM 147 CA LYS A 11 -4.397 13.220 -17.139 1.00 0.00 C ATOM 148 C LYS A 11 -3.135 12.465 -16.725 1.00 0.00 C ATOM 149 O LYS A 11 -3.087 11.853 -15.658 1.00 0.00 O ATOM 150 CB LYS A 11 -4.104 14.724 -17.314 1.00 0.00 C ATOM 151 CG LYS A 11 -4.857 15.658 -16.362 1.00 0.00 C ATOM 152 CD LYS A 11 -4.412 17.110 -16.556 1.00 0.00 C ATOM 153 CE LYS A 11 -4.889 17.694 -17.890 1.00 0.00 C ATOM 154 NZ LYS A 11 -4.642 19.145 -17.957 1.00 0.00 N ATOM 0 H LYS A 11 -5.049 12.818 -15.216 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.747 12.857 -18.105 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.034 14.886 -17.183 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.346 15.007 -18.339 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.930 15.576 -16.538 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.679 15.353 -15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.798 17.718 -15.738 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.324 17.163 -16.507 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.374 17.197 -18.712 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.954 17.498 -18.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.975 19.512 -18.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.153 19.620 -17.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.623 19.328 -17.861 1.00 0.00 H new ATOM 168 N THR A 12 -2.117 12.535 -17.585 1.00 0.00 N ATOM 169 CA THR A 12 -0.774 12.025 -17.348 1.00 0.00 C ATOM 170 C THR A 12 0.202 13.198 -17.461 1.00 0.00 C ATOM 171 O THR A 12 -0.201 14.304 -17.823 1.00 0.00 O ATOM 172 CB THR A 12 -0.447 10.900 -18.345 1.00 0.00 C ATOM 173 OG1 THR A 12 -0.605 11.357 -19.674 1.00 0.00 O ATOM 174 CG2 THR A 12 -1.340 9.675 -18.120 1.00 0.00 C ATOM 0 H THR A 12 -2.215 12.968 -18.503 1.00 0.00 H new ATOM 0 HA THR A 12 -0.693 11.591 -16.352 1.00 0.00 H new ATOM 0 HB THR A 12 0.590 10.608 -18.179 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.565 10.595 -20.289 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.082 8.899 -18.841 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.189 9.295 -17.109 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.385 9.958 -18.249 1.00 0.00 H new ATOM 182 N TYR A 13 1.483 12.964 -17.146 1.00 0.00 N ATOM 183 CA TYR A 13 2.511 13.996 -17.173 1.00 0.00 C ATOM 184 C TYR A 13 3.774 13.414 -17.813 1.00 0.00 C ATOM 185 O TYR A 13 4.353 12.457 -17.303 1.00 0.00 O ATOM 186 CB TYR A 13 2.730 14.515 -15.745 1.00 0.00 C ATOM 187 CG TYR A 13 3.275 15.926 -15.578 1.00 0.00 C ATOM 188 CD1 TYR A 13 3.892 16.633 -16.631 1.00 0.00 C ATOM 189 CD2 TYR A 13 3.145 16.545 -14.321 1.00 0.00 C ATOM 190 CE1 TYR A 13 4.342 17.950 -16.435 1.00 0.00 C ATOM 191 CE2 TYR A 13 3.591 17.863 -14.131 1.00 0.00 C ATOM 192 CZ TYR A 13 4.211 18.557 -15.177 1.00 0.00 C ATOM 193 OH TYR A 13 4.681 19.817 -14.961 1.00 0.00 O ATOM 0 H TYR A 13 1.830 12.047 -16.865 1.00 0.00 H new ATOM 0 HA TYR A 13 2.212 14.852 -17.778 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.777 14.460 -15.219 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.412 13.831 -15.241 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.019 16.160 -17.593 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.700 16.004 -13.499 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.789 18.495 -17.253 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.455 18.344 -13.173 1.00 0.00 H new ATOM 0 HH TYR A 13 4.007 20.470 -15.244 1.00 0.00 H new ATOM 203 N SER A 14 4.183 13.999 -18.945 1.00 0.00 N ATOM 204 CA SER A 14 5.248 13.507 -19.807 1.00 0.00 C ATOM 205 C SER A 14 6.668 13.669 -19.249 1.00 0.00 C ATOM 206 O SER A 14 7.582 13.062 -19.804 1.00 0.00 O ATOM 207 CB SER A 14 5.136 14.191 -21.175 1.00 0.00 C ATOM 208 OG SER A 14 5.243 15.595 -21.040 1.00 0.00 O ATOM 0 H SER A 14 3.761 14.860 -19.293 1.00 0.00 H new ATOM 0 HA SER A 14 5.102 12.430 -19.884 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.920 13.823 -21.837 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.183 13.936 -21.638 1.00 0.00 H new ATOM 0 HG SER A 14 5.171 16.015 -21.923 1.00 0.00 H new ATOM 214 N LYS A 15 6.877 14.463 -18.187 1.00 0.00 N ATOM 215 CA LYS A 15 8.206 14.695 -17.621 1.00 0.00 C ATOM 216 C LYS A 15 8.854 13.366 -17.209 1.00 0.00 C ATOM 217 O LYS A 15 8.291 12.682 -16.358 1.00 0.00 O ATOM 218 CB LYS A 15 8.119 15.594 -16.382 1.00 0.00 C ATOM 219 CG LYS A 15 7.820 17.060 -16.708 1.00 0.00 C ATOM 220 CD LYS A 15 7.855 17.900 -15.422 1.00 0.00 C ATOM 221 CE LYS A 15 9.282 18.336 -15.068 1.00 0.00 C ATOM 222 NZ LYS A 15 9.342 18.934 -13.723 1.00 0.00 N ATOM 0 H LYS A 15 6.129 14.958 -17.701 1.00 0.00 H new ATOM 0 HA LYS A 15 8.809 15.182 -18.387 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.342 15.212 -15.720 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.060 15.537 -15.835 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.552 17.440 -17.421 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.842 17.144 -17.181 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.225 18.781 -15.546 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.436 17.322 -14.598 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.950 17.476 -15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.637 19.056 -15.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.291 19.325 -13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.637 19.695 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.140 18.205 -13.010 1.00 0.00 H new ATOM 236 N PRO A 16 10.014 12.986 -17.777 1.00 0.00 N ATOM 237 CA PRO A 16 10.769 11.814 -17.357 1.00 0.00 C ATOM 238 C PRO A 16 11.143 11.836 -15.871 1.00 0.00 C ATOM 239 O PRO A 16 12.143 12.436 -15.480 1.00 0.00 O ATOM 240 CB PRO A 16 11.989 11.740 -18.284 1.00 0.00 C ATOM 241 CG PRO A 16 11.483 12.440 -19.542 1.00 0.00 C ATOM 242 CD PRO A 16 10.637 13.567 -18.957 1.00 0.00 C ATOM 0 HA PRO A 16 10.161 10.914 -17.447 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.855 12.246 -17.858 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.287 10.711 -18.483 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.301 12.819 -20.155 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.895 11.773 -20.172 1.00 0.00 H new ATOM 0 HD2 PRO A 16 11.251 14.429 -18.697 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.889 13.912 -19.671 1.00 0.00 H new ATOM 250 N PHE A 17 10.331 11.167 -15.044 1.00 0.00 N ATOM 251 CA PHE A 17 10.553 11.025 -13.610 1.00 0.00 C ATOM 252 C PHE A 17 11.631 9.973 -13.341 1.00 0.00 C ATOM 253 O PHE A 17 12.262 9.477 -14.273 1.00 0.00 O ATOM 254 CB PHE A 17 9.223 10.675 -12.928 1.00 0.00 C ATOM 255 CG PHE A 17 8.098 11.641 -13.249 1.00 0.00 C ATOM 256 CD1 PHE A 17 8.258 13.012 -12.985 1.00 0.00 C ATOM 257 CD2 PHE A 17 6.917 11.184 -13.863 1.00 0.00 C ATOM 258 CE1 PHE A 17 7.237 13.919 -13.311 1.00 0.00 C ATOM 259 CE2 PHE A 17 5.898 12.094 -14.199 1.00 0.00 C ATOM 260 CZ PHE A 17 6.058 13.461 -13.917 1.00 0.00 C ATOM 0 H PHE A 17 9.483 10.700 -15.366 1.00 0.00 H new ATOM 0 HA PHE A 17 10.914 11.965 -13.192 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.924 9.671 -13.229 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.374 10.653 -11.849 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.170 13.369 -12.530 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.793 10.133 -14.077 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.360 14.970 -13.095 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.994 11.742 -14.673 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.273 14.159 -14.167 1.00 0.00 H new ATOM 270 N HIS A 18 11.855 9.642 -12.063 1.00 0.00 N ATOM 271 CA HIS A 18 12.909 8.757 -11.620 1.00 0.00 C ATOM 272 C HIS A 18 12.386 7.844 -10.506 1.00 0.00 C ATOM 273 O HIS A 18 11.529 8.268 -9.731 1.00 0.00 O ATOM 274 CB HIS A 18 14.038 9.648 -11.113 1.00 0.00 C ATOM 275 CG HIS A 18 14.556 10.573 -12.182 1.00 0.00 C ATOM 276 ND1 HIS A 18 14.105 11.889 -12.280 1.00 0.00 N ATOM 277 CD2 HIS A 18 15.351 10.291 -13.261 1.00 0.00 C ATOM 278 CE1 HIS A 18 14.606 12.331 -13.436 1.00 0.00 C ATOM 279 NE2 HIS A 18 15.372 11.418 -14.054 1.00 0.00 N ATOM 0 H HIS A 18 11.285 9.999 -11.296 1.00 0.00 H new ATOM 0 HA HIS A 18 13.262 8.114 -12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 18 13.682 10.236 -10.267 1.00 0.00 H new ATOM 0 HB3 HIS A 18 14.854 9.025 -10.747 1.00 0.00 H new ATOM 0 HD2 HIS A 18 15.865 9.361 -13.454 1.00 0.00 H new ATOM 0 HE1 HIS A 18 14.415 13.318 -13.832 1.00 0.00 H new ATOM 0 HE2 HIS A 18 15.871 11.535 -14.936 1.00 0.00 H new ATOM 287 N PRO A 19 12.889 6.601 -10.405 1.00 0.00 N ATOM 288 CA PRO A 19 12.438 5.631 -9.419 1.00 0.00 C ATOM 289 C PRO A 19 12.819 6.030 -7.989 1.00 0.00 C ATOM 290 O PRO A 19 12.194 5.544 -7.049 1.00 0.00 O ATOM 291 CB PRO A 19 13.087 4.304 -9.823 1.00 0.00 C ATOM 292 CG PRO A 19 14.372 4.746 -10.519 1.00 0.00 C ATOM 293 CD PRO A 19 13.943 6.029 -11.230 1.00 0.00 C ATOM 0 HA PRO A 19 11.350 5.564 -9.410 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.293 3.676 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.445 3.728 -10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.177 4.927 -9.807 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.731 3.994 -11.222 1.00 0.00 H new ATOM 0 HD2 PRO A 19 14.780 6.720 -11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.582 5.817 -12.236 1.00 0.00 H new ATOM 301 N LYS A 20 13.825 6.904 -7.815 1.00 0.00 N ATOM 302 CA LYS A 20 14.275 7.362 -6.504 1.00 0.00 C ATOM 303 C LYS A 20 13.131 7.955 -5.670 1.00 0.00 C ATOM 304 O LYS A 20 13.140 7.831 -4.447 1.00 0.00 O ATOM 305 CB LYS A 20 15.465 8.332 -6.636 1.00 0.00 C ATOM 306 CG LYS A 20 15.110 9.711 -7.217 1.00 0.00 C ATOM 307 CD LYS A 20 16.288 10.698 -7.152 1.00 0.00 C ATOM 308 CE LYS A 20 17.420 10.429 -8.152 1.00 0.00 C ATOM 309 NZ LYS A 20 17.004 10.681 -9.542 1.00 0.00 N ATOM 0 H LYS A 20 14.348 7.311 -8.590 1.00 0.00 H new ATOM 0 HA LYS A 20 14.625 6.488 -5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 20 15.913 8.472 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.223 7.871 -7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 20 14.794 9.595 -8.254 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.263 10.125 -6.670 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.907 11.705 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.703 10.679 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.275 11.061 -7.910 1.00 0.00 H new ATOM 0 HE3 LYS A 20 17.750 9.395 -8.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.830 10.970 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.597 9.813 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.291 11.438 -9.559 1.00 0.00 H new ATOM 323 N PHE A 21 12.154 8.594 -6.329 1.00 0.00 N ATOM 324 CA PHE A 21 11.019 9.227 -5.674 1.00 0.00 C ATOM 325 C PHE A 21 9.843 8.267 -5.458 1.00 0.00 C ATOM 326 O PHE A 21 8.898 8.637 -4.763 1.00 0.00 O ATOM 327 CB PHE A 21 10.552 10.426 -6.507 1.00 0.00 C ATOM 328 CG PHE A 21 11.614 11.466 -6.798 1.00 0.00 C ATOM 329 CD1 PHE A 21 12.054 12.321 -5.772 1.00 0.00 C ATOM 330 CD2 PHE A 21 12.157 11.585 -8.091 1.00 0.00 C ATOM 331 CE1 PHE A 21 13.025 13.300 -6.039 1.00 0.00 C ATOM 332 CE2 PHE A 21 13.132 12.561 -8.356 1.00 0.00 C ATOM 333 CZ PHE A 21 13.562 13.421 -7.331 1.00 0.00 C ATOM 0 H PHE A 21 12.137 8.682 -7.345 1.00 0.00 H new ATOM 0 HA PHE A 21 11.356 9.549 -4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.158 10.058 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.726 10.910 -5.985 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.645 12.225 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.824 10.926 -8.879 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.358 13.959 -5.251 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.551 12.650 -9.347 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.306 14.176 -7.537 1.00 0.00 H new ATOM 343 N ILE A 22 9.870 7.061 -6.046 1.00 0.00 N ATOM 344 CA ILE A 22 8.677 6.163 -6.017 1.00 0.00 C ATOM 345 C ILE A 22 8.798 5.145 -4.880 1.00 0.00 C ATOM 346 O ILE A 22 9.798 4.467 -4.751 1.00 0.00 O ATOM 347 CB ILE A 22 8.570 5.406 -7.366 1.00 0.00 C ATOM 348 CG1 ILE A 22 8.262 6.382 -8.545 1.00 0.00 C ATOM 349 CG2 ILE A 22 7.457 4.355 -7.263 1.00 0.00 C ATOM 350 CD1 ILE A 22 8.036 7.899 -8.537 1.00 0.00 C ATOM 0 H ILE A 22 10.678 6.681 -6.539 1.00 0.00 H new ATOM 0 HA ILE A 22 7.787 6.771 -5.855 1.00 0.00 H new ATOM 0 HB ILE A 22 9.527 4.926 -7.570 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.082 6.231 -9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.365 5.974 -9.011 1.00 0.00 H new ATOM 0 HG21 ILE A 22 7.375 3.818 -8.208 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.694 3.651 -6.465 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.510 4.848 -7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.845 8.244 -9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.179 8.136 -7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.923 8.397 -8.146 1.00 0.00 H new ATOM 362 N LYS A 23 7.760 5.071 -4.083 1.00 0.00 N ATOM 363 CA LYS A 23 7.749 4.109 -2.952 1.00 0.00 C ATOM 364 C LYS A 23 6.573 3.147 -3.109 1.00 0.00 C ATOM 365 O LYS A 23 6.609 2.037 -2.615 1.00 0.00 O ATOM 366 CB LYS A 23 7.600 4.873 -1.637 1.00 0.00 C ATOM 367 CG LYS A 23 8.962 5.433 -1.218 1.00 0.00 C ATOM 368 CD LYS A 23 9.693 4.407 -0.347 1.00 0.00 C ATOM 369 CE LYS A 23 11.020 5.005 0.122 1.00 0.00 C ATOM 370 NZ LYS A 23 12.116 4.003 0.004 1.00 0.00 N ATOM 0 H LYS A 23 6.919 5.641 -4.173 1.00 0.00 H new ATOM 0 HA LYS A 23 8.683 3.547 -2.948 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.881 5.684 -1.754 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.212 4.212 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.558 5.666 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.830 6.364 -0.667 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.078 4.136 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.871 3.492 -0.913 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.259 5.886 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.931 5.335 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.010 4.426 0.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.893 3.174 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.211 3.708 -0.989 1.00 0.00 H new ATOM 384 N GLU A 24 5.551 3.599 -3.793 1.00 0.00 N ATOM 385 CA GLU A 24 4.352 2.719 -3.994 1.00 0.00 C ATOM 386 C GLU A 24 3.863 2.798 -5.445 1.00 0.00 C ATOM 387 O GLU A 24 3.743 3.870 -6.004 1.00 0.00 O ATOM 388 CB GLU A 24 3.236 3.178 -3.057 1.00 0.00 C ATOM 389 CG GLU A 24 1.906 2.589 -3.538 1.00 0.00 C ATOM 390 CD GLU A 24 0.906 2.586 -2.380 1.00 0.00 C ATOM 391 OE1 GLU A 24 0.778 3.637 -1.773 1.00 0.00 O ATOM 392 OE2 GLU A 24 0.324 1.536 -2.168 1.00 0.00 O ATOM 0 H GLU A 24 5.492 4.525 -4.216 1.00 0.00 H new ATOM 0 HA GLU A 24 4.627 1.687 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.444 2.854 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.182 4.267 -3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.515 3.175 -4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.057 1.574 -3.906 1.00 0.00 H new ATOM 399 N LEU A 25 3.590 1.651 -6.019 1.00 0.00 N ATOM 400 CA LEU A 25 3.102 1.619 -7.432 1.00 0.00 C ATOM 401 C LEU A 25 1.623 1.222 -7.469 1.00 0.00 C ATOM 402 O LEU A 25 1.157 0.480 -6.627 1.00 0.00 O ATOM 403 CB LEU A 25 3.919 0.596 -8.219 1.00 0.00 C ATOM 404 CG LEU A 25 3.762 0.866 -9.716 1.00 0.00 C ATOM 405 CD1 LEU A 25 4.883 1.798 -10.180 1.00 0.00 C ATOM 406 CD2 LEU A 25 3.858 -0.456 -10.478 1.00 0.00 C ATOM 0 H LEU A 25 3.684 0.739 -5.571 1.00 0.00 H new ATOM 0 HA LEU A 25 3.216 2.609 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.970 0.657 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.583 -0.414 -7.983 1.00 0.00 H new ATOM 0 HG LEU A 25 2.795 1.331 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.775 1.994 -11.247 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.825 2.738 -9.631 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.848 1.327 -9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.747 -0.269 -11.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.828 -0.915 -10.289 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.067 -1.127 -10.143 1.00 0.00 H new ATOM 418 N ARG A 26 0.916 1.725 -8.445 1.00 0.00 N ATOM 419 CA ARG A 26 -0.536 1.386 -8.550 1.00 0.00 C ATOM 420 C ARG A 26 -0.946 1.259 -10.021 1.00 0.00 C ATOM 421 O ARG A 26 -0.771 2.181 -10.794 1.00 0.00 O ATOM 422 CB ARG A 26 -1.350 2.487 -7.888 1.00 0.00 C ATOM 423 CG ARG A 26 -1.673 2.086 -6.447 1.00 0.00 C ATOM 424 CD ARG A 26 -2.021 3.339 -5.639 1.00 0.00 C ATOM 425 NE ARG A 26 -3.245 3.965 -6.218 1.00 0.00 N ATOM 426 CZ ARG A 26 -4.073 4.595 -5.432 1.00 0.00 C ATOM 427 NH1 ARG A 26 -3.592 5.414 -4.537 1.00 0.00 N ATOM 428 NH2 ARG A 26 -5.354 4.386 -5.567 1.00 0.00 N ATOM 0 H ARG A 26 1.274 2.349 -9.168 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.721 0.434 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.792 3.424 -7.900 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.271 2.658 -8.445 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.508 1.385 -6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.820 1.576 -5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.190 3.079 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -1.190 4.045 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.432 3.901 -7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.584 5.552 -4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.224 5.916 -3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.693 3.739 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.016 4.870 -4.961 1.00 0.00 H new ATOM 442 N VAL A 27 -1.481 0.114 -10.370 1.00 0.00 N ATOM 443 CA VAL A 27 -1.917 -0.106 -11.786 1.00 0.00 C ATOM 444 C VAL A 27 -3.403 -0.476 -11.827 1.00 0.00 C ATOM 445 O VAL A 27 -3.820 -1.435 -11.209 1.00 0.00 O ATOM 446 CB VAL A 27 -1.095 -1.241 -12.394 1.00 0.00 C ATOM 447 CG1 VAL A 27 -1.398 -1.336 -13.890 1.00 0.00 C ATOM 448 CG2 VAL A 27 0.393 -0.946 -12.199 1.00 0.00 C ATOM 0 H VAL A 27 -1.634 -0.674 -9.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.763 0.810 -12.356 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.350 -2.182 -11.906 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.814 -2.145 -14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.460 -1.536 -14.034 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.137 -0.395 -14.375 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.984 -1.754 -12.631 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.646 -0.007 -12.692 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.612 -0.867 -11.134 1.00 0.00 H new ATOM 458 N ILE A 28 -4.166 0.299 -12.558 1.00 0.00 N ATOM 459 CA ILE A 28 -5.635 0.022 -12.658 1.00 0.00 C ATOM 460 C ILE A 28 -6.013 -0.307 -14.107 1.00 0.00 C ATOM 461 O ILE A 28 -5.848 0.505 -14.996 1.00 0.00 O ATOM 462 CB ILE A 28 -6.403 1.263 -12.194 1.00 0.00 C ATOM 463 CG1 ILE A 28 -6.198 1.430 -10.678 1.00 0.00 C ATOM 464 CG2 ILE A 28 -7.895 1.083 -12.491 1.00 0.00 C ATOM 465 CD1 ILE A 28 -6.764 2.782 -10.223 1.00 0.00 C ATOM 0 H ILE A 28 -3.839 1.107 -13.087 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.889 -0.831 -12.029 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.038 2.145 -12.720 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.693 0.620 -10.143 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.137 1.370 -10.436 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.441 1.967 -12.160 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.039 0.947 -13.563 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.268 0.207 -11.961 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.616 2.895 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.249 3.587 -10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.829 2.825 -10.449 1.00 0.00 H new ATOM 477 N GLU A 29 -6.514 -1.495 -14.309 1.00 0.00 N ATOM 478 CA GLU A 29 -6.909 -1.906 -15.688 1.00 0.00 C ATOM 479 C GLU A 29 -8.260 -1.284 -16.062 1.00 0.00 C ATOM 480 O GLU A 29 -8.975 -0.795 -15.210 1.00 0.00 O ATOM 481 CB GLU A 29 -7.017 -3.433 -15.734 1.00 0.00 C ATOM 482 CG GLU A 29 -7.576 -3.862 -17.093 1.00 0.00 C ATOM 483 CD GLU A 29 -7.288 -5.350 -17.313 1.00 0.00 C ATOM 484 OE1 GLU A 29 -6.810 -5.954 -16.367 1.00 0.00 O ATOM 485 OE2 GLU A 29 -7.564 -5.796 -18.414 1.00 0.00 O ATOM 0 H GLU A 29 -6.667 -2.196 -13.584 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.158 -1.561 -16.399 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.037 -3.883 -15.573 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.666 -3.787 -14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.650 -3.678 -17.132 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.123 -3.271 -17.889 1.00 0.00 H new ATOM 492 N SER A 30 -8.573 -1.312 -17.332 1.00 0.00 N ATOM 493 CA SER A 30 -9.874 -0.735 -17.794 1.00 0.00 C ATOM 494 C SER A 30 -10.996 -1.098 -16.816 1.00 0.00 C ATOM 495 O SER A 30 -11.231 -2.259 -16.544 1.00 0.00 O ATOM 496 CB SER A 30 -10.208 -1.301 -19.173 1.00 0.00 C ATOM 497 OG SER A 30 -9.928 -2.689 -19.055 1.00 0.00 O ATOM 0 H SER A 30 -7.987 -1.708 -18.068 1.00 0.00 H new ATOM 0 HA SER A 30 -9.785 0.350 -17.843 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.252 -1.126 -19.434 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.603 -0.837 -19.952 1.00 0.00 H new ATOM 0 HG SER A 30 -10.328 -3.034 -18.230 1.00 0.00 H new ATOM 503 N GLY A 31 -11.661 -0.090 -16.309 1.00 0.00 N ATOM 504 CA GLY A 31 -12.776 -0.338 -15.345 1.00 0.00 C ATOM 505 C GLY A 31 -14.075 0.291 -15.869 1.00 0.00 C ATOM 506 O GLY A 31 -14.131 0.770 -16.985 1.00 0.00 O ATOM 0 H GLY A 31 -11.480 0.891 -16.520 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.913 -1.410 -15.203 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.526 0.083 -14.371 1.00 0.00 H new ATOM 510 N PRO A 32 -15.100 0.271 -15.044 1.00 0.00 N ATOM 511 CA PRO A 32 -16.404 0.836 -15.416 1.00 0.00 C ATOM 512 C PRO A 32 -16.282 2.349 -15.614 1.00 0.00 C ATOM 513 O PRO A 32 -17.243 3.019 -15.937 1.00 0.00 O ATOM 514 CB PRO A 32 -17.332 0.518 -14.236 1.00 0.00 C ATOM 515 CG PRO A 32 -16.480 -0.234 -13.166 1.00 0.00 C ATOM 516 CD PRO A 32 -15.036 -0.306 -13.693 1.00 0.00 C ATOM 0 HA PRO A 32 -16.783 0.421 -16.350 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.751 1.434 -13.819 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -18.171 -0.097 -14.562 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -16.514 0.290 -12.211 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -16.876 -1.235 -12.995 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.354 0.256 -13.055 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -14.675 -1.334 -13.719 1.00 0.00 H new ATOM 524 N HIS A 33 -15.092 2.841 -15.412 1.00 0.00 N ATOM 525 CA HIS A 33 -14.843 4.306 -15.571 1.00 0.00 C ATOM 526 C HIS A 33 -13.786 4.535 -16.653 1.00 0.00 C ATOM 527 O HIS A 33 -13.684 5.611 -17.209 1.00 0.00 O ATOM 528 CB HIS A 33 -14.331 4.852 -14.247 1.00 0.00 C ATOM 529 CG HIS A 33 -12.925 4.301 -14.000 1.00 0.00 C ATOM 530 ND1 HIS A 33 -12.597 3.050 -14.069 1.00 0.00 N ATOM 531 CD2 HIS A 33 -11.747 4.975 -13.688 1.00 0.00 C ATOM 532 CE1 HIS A 33 -11.347 2.894 -13.833 1.00 0.00 C ATOM 533 NE2 HIS A 33 -10.803 4.052 -13.599 1.00 0.00 N ATOM 0 H HIS A 33 -14.276 2.292 -15.142 1.00 0.00 H new ATOM 0 HA HIS A 33 -15.765 4.811 -15.860 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -14.311 5.942 -14.270 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -14.998 4.562 -13.435 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.628 6.039 -13.547 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -10.826 1.948 -13.829 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -9.820 4.219 -13.384 1.00 0.00 H new ATOM 541 N CYS A 34 -13.019 3.511 -16.922 1.00 0.00 N ATOM 542 CA CYS A 34 -11.953 3.636 -17.957 1.00 0.00 C ATOM 543 C CYS A 34 -11.932 2.387 -18.847 1.00 0.00 C ATOM 544 O CYS A 34 -11.938 1.274 -18.359 1.00 0.00 O ATOM 545 CB CYS A 34 -10.603 3.790 -17.259 1.00 0.00 C ATOM 546 SG CYS A 34 -9.328 4.736 -18.123 1.00 0.00 S ATOM 0 H CYS A 34 -13.085 2.598 -16.472 1.00 0.00 H new ATOM 0 HA CYS A 34 -12.152 4.507 -18.581 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.775 4.261 -16.291 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.209 2.793 -17.063 1.00 0.00 H new ATOM 551 N ALA A 35 -11.906 2.603 -20.135 1.00 0.00 N ATOM 552 CA ALA A 35 -11.890 1.445 -21.075 1.00 0.00 C ATOM 553 C ALA A 35 -10.456 1.153 -21.534 1.00 0.00 C ATOM 554 O ALA A 35 -10.242 0.581 -22.584 1.00 0.00 O ATOM 555 CB ALA A 35 -12.755 1.777 -22.289 1.00 0.00 C ATOM 0 H ALA A 35 -11.895 3.524 -20.574 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.282 0.564 -20.566 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.749 0.935 -22.981 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.777 1.973 -21.965 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.357 2.661 -22.788 1.00 0.00 H new ATOM 561 N ASN A 36 -9.505 1.550 -20.730 1.00 0.00 N ATOM 562 CA ASN A 36 -8.076 1.312 -21.104 1.00 0.00 C ATOM 563 C ASN A 36 -7.262 0.902 -19.877 1.00 0.00 C ATOM 564 O ASN A 36 -7.764 0.282 -18.969 1.00 0.00 O ATOM 565 CB ASN A 36 -7.495 2.597 -21.695 1.00 0.00 C ATOM 566 CG ASN A 36 -8.410 3.099 -22.815 1.00 0.00 C ATOM 567 OD1 ASN A 36 -8.979 2.327 -23.559 1.00 0.00 O ATOM 568 ND2 ASN A 36 -8.577 4.384 -22.967 1.00 0.00 N ATOM 0 H ASN A 36 -9.651 2.024 -19.839 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.029 0.507 -21.837 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.400 3.357 -20.919 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.494 2.412 -22.084 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.183 4.735 -23.708 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.101 5.037 -22.345 1.00 0.00 H new ATOM 575 N THR A 37 -6.016 1.254 -19.896 1.00 0.00 N ATOM 576 CA THR A 37 -5.122 0.914 -18.747 1.00 0.00 C ATOM 577 C THR A 37 -4.358 2.162 -18.294 1.00 0.00 C ATOM 578 O THR A 37 -3.923 2.954 -19.106 1.00 0.00 O ATOM 579 CB THR A 37 -4.138 -0.171 -19.188 1.00 0.00 C ATOM 580 OG1 THR A 37 -4.642 -1.370 -18.611 1.00 0.00 O ATOM 581 CG2 THR A 37 -2.750 0.016 -18.575 1.00 0.00 C ATOM 0 H THR A 37 -5.568 1.765 -20.657 1.00 0.00 H new ATOM 0 HA THR A 37 -5.719 0.549 -17.912 1.00 0.00 H new ATOM 0 HB THR A 37 -4.049 -0.160 -20.274 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.643 -2.082 -19.284 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.090 -0.780 -18.920 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.345 0.981 -18.879 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.824 -0.020 -17.488 1.00 0.00 H new ATOM 589 N GLU A 38 -4.214 2.309 -17.002 1.00 0.00 N ATOM 590 CA GLU A 38 -3.483 3.501 -16.469 1.00 0.00 C ATOM 591 C GLU A 38 -2.545 3.082 -15.333 1.00 0.00 C ATOM 592 O GLU A 38 -2.950 2.402 -14.410 1.00 0.00 O ATOM 593 CB GLU A 38 -4.500 4.514 -15.946 1.00 0.00 C ATOM 594 CG GLU A 38 -5.737 4.492 -16.845 1.00 0.00 C ATOM 595 CD GLU A 38 -6.598 5.723 -16.552 1.00 0.00 C ATOM 596 OE1 GLU A 38 -6.991 5.849 -15.404 1.00 0.00 O ATOM 597 OE2 GLU A 38 -6.813 6.467 -17.495 1.00 0.00 O ATOM 0 H GLU A 38 -4.567 1.662 -16.297 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.889 3.947 -17.267 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.777 4.273 -14.920 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.063 5.512 -15.932 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.439 4.484 -17.893 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.311 3.582 -16.670 1.00 0.00 H new ATOM 604 N ILE A 39 -1.290 3.538 -15.446 1.00 0.00 N ATOM 605 CA ILE A 39 -0.259 3.429 -14.428 1.00 0.00 C ATOM 606 C ILE A 39 -0.344 4.678 -13.551 1.00 0.00 C ATOM 607 O ILE A 39 -0.417 5.801 -14.049 1.00 0.00 O ATOM 608 CB ILE A 39 1.132 3.275 -15.075 1.00 0.00 C ATOM 609 CG1 ILE A 39 1.209 1.929 -15.820 1.00 0.00 C ATOM 610 CG2 ILE A 39 2.241 3.355 -14.012 1.00 0.00 C ATOM 611 CD1 ILE A 39 2.480 1.788 -16.665 1.00 0.00 C ATOM 0 H ILE A 39 -0.961 4.011 -16.288 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.413 2.541 -13.815 1.00 0.00 H new ATOM 0 HB ILE A 39 1.280 4.090 -15.783 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.168 1.116 -15.096 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.336 1.826 -16.465 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.213 3.244 -14.492 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.193 4.320 -13.508 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.103 2.558 -13.282 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.478 0.820 -17.166 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.511 2.582 -17.411 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.356 1.861 -16.020 1.00 0.00 H new ATOM 623 N ILE A 40 -0.331 4.450 -12.239 1.00 0.00 N ATOM 624 CA ILE A 40 -0.429 5.430 -11.172 1.00 0.00 C ATOM 625 C ILE A 40 0.735 5.156 -10.217 1.00 0.00 C ATOM 626 O ILE A 40 1.237 4.033 -10.155 1.00 0.00 O ATOM 627 CB ILE A 40 -1.805 5.327 -10.475 1.00 0.00 C ATOM 628 CG1 ILE A 40 -2.928 5.143 -11.514 1.00 0.00 C ATOM 629 CG2 ILE A 40 -2.037 6.553 -9.581 1.00 0.00 C ATOM 630 CD1 ILE A 40 -4.337 5.463 -11.007 1.00 0.00 C ATOM 0 H ILE A 40 -0.245 3.502 -11.872 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.360 6.450 -11.549 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.817 4.446 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.715 5.778 -12.374 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.911 4.112 -11.867 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.009 6.470 -9.095 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.255 6.604 -8.823 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.011 7.457 -10.189 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.057 5.304 -11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.579 4.811 -10.168 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.380 6.503 -10.682 1.00 0.00 H new ATOM 642 N VAL A 41 1.182 6.174 -9.479 1.00 0.00 N ATOM 643 CA VAL A 41 2.330 6.051 -8.604 1.00 0.00 C ATOM 644 C VAL A 41 2.257 7.082 -7.481 1.00 0.00 C ATOM 645 O VAL A 41 1.905 8.237 -7.715 1.00 0.00 O ATOM 646 CB VAL A 41 3.614 6.170 -9.443 1.00 0.00 C ATOM 647 CG1 VAL A 41 3.895 7.591 -9.951 1.00 0.00 C ATOM 648 CG2 VAL A 41 4.820 5.680 -8.653 1.00 0.00 C ATOM 0 H VAL A 41 0.754 7.100 -9.477 1.00 0.00 H new ATOM 0 HA VAL A 41 2.337 5.074 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 41 3.446 5.542 -10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.816 7.594 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.068 7.923 -10.578 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.001 8.267 -9.102 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.718 5.773 -9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.932 6.281 -7.750 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.675 4.635 -8.378 1.00 0.00 H new ATOM 658 N LYS A 42 2.599 6.653 -6.264 1.00 0.00 N ATOM 659 CA LYS A 42 2.709 7.519 -5.103 1.00 0.00 C ATOM 660 C LYS A 42 4.058 8.238 -5.156 1.00 0.00 C ATOM 661 O LYS A 42 5.107 7.595 -5.209 1.00 0.00 O ATOM 662 CB LYS A 42 2.591 6.676 -3.831 1.00 0.00 C ATOM 663 CG LYS A 42 2.269 7.472 -2.558 1.00 0.00 C ATOM 664 CD LYS A 42 0.827 7.995 -2.456 1.00 0.00 C ATOM 665 CE LYS A 42 -0.212 6.984 -1.944 1.00 0.00 C ATOM 666 NZ LYS A 42 -0.444 5.858 -2.864 1.00 0.00 N ATOM 0 H LYS A 42 2.810 5.676 -6.061 1.00 0.00 H new ATOM 0 HA LYS A 42 1.910 8.261 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.814 5.926 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.527 6.139 -3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.470 6.840 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.951 8.320 -2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.820 8.862 -1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.515 8.342 -3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.118 6.593 -0.981 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.156 7.502 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.441 5.565 -2.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.222 6.153 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.166 5.059 -2.596 1.00 0.00 H new ATOM 680 N LEU A 43 4.019 9.571 -5.139 1.00 0.00 N ATOM 681 CA LEU A 43 5.188 10.431 -5.164 1.00 0.00 C ATOM 682 C LEU A 43 5.624 10.718 -3.724 1.00 0.00 C ATOM 683 O LEU A 43 4.786 11.065 -2.890 1.00 0.00 O ATOM 684 CB LEU A 43 4.803 11.711 -5.918 1.00 0.00 C ATOM 685 CG LEU A 43 5.907 12.771 -5.987 1.00 0.00 C ATOM 686 CD1 LEU A 43 7.162 12.258 -6.690 1.00 0.00 C ATOM 687 CD2 LEU A 43 5.383 14.020 -6.699 1.00 0.00 C ATOM 0 H LEU A 43 3.142 10.092 -5.106 1.00 0.00 H new ATOM 0 HA LEU A 43 6.030 9.963 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.511 11.444 -6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.927 12.149 -5.439 1.00 0.00 H new ATOM 0 HG LEU A 43 6.188 13.017 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.914 13.047 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.555 11.397 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.913 11.964 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.172 14.770 -6.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.071 13.759 -7.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.532 14.422 -6.149 1.00 0.00 H new ATOM 699 N SER A 44 6.928 10.576 -3.437 1.00 0.00 N ATOM 700 CA SER A 44 7.516 10.787 -2.115 1.00 0.00 C ATOM 701 C SER A 44 7.224 12.176 -1.534 1.00 0.00 C ATOM 702 O SER A 44 7.169 12.315 -0.313 1.00 0.00 O ATOM 703 CB SER A 44 9.025 10.530 -2.167 1.00 0.00 C ATOM 704 OG SER A 44 9.625 11.313 -3.179 1.00 0.00 O ATOM 0 H SER A 44 7.616 10.304 -4.140 1.00 0.00 H new ATOM 0 HA SER A 44 7.043 10.072 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.474 10.766 -1.202 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.214 9.473 -2.356 1.00 0.00 H new ATOM 0 HG SER A 44 10.589 11.139 -3.199 1.00 0.00 H new ATOM 710 N ASP A 45 7.032 13.184 -2.398 1.00 0.00 N ATOM 711 CA ASP A 45 6.576 14.527 -2.041 1.00 0.00 C ATOM 712 C ASP A 45 5.409 14.456 -1.052 1.00 0.00 C ATOM 713 O ASP A 45 5.384 15.192 -0.068 1.00 0.00 O ATOM 714 CB ASP A 45 6.141 15.263 -3.316 1.00 0.00 C ATOM 715 CG ASP A 45 5.622 16.668 -3.029 1.00 0.00 C ATOM 716 OD1 ASP A 45 6.458 17.520 -2.658 1.00 0.00 O ATOM 717 OD2 ASP A 45 4.397 16.863 -3.189 1.00 0.00 O ATOM 0 H ASP A 45 7.197 13.078 -3.399 1.00 0.00 H new ATOM 0 HA ASP A 45 7.393 15.067 -1.563 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.985 15.324 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.363 14.687 -3.817 1.00 0.00 H new ATOM 722 N GLY A 46 4.459 13.553 -1.329 1.00 0.00 N ATOM 723 CA GLY A 46 3.334 13.247 -0.458 1.00 0.00 C ATOM 724 C GLY A 46 2.016 13.408 -1.204 1.00 0.00 C ATOM 725 O GLY A 46 1.107 14.082 -0.722 1.00 0.00 O ATOM 0 H GLY A 46 4.459 13.005 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.424 12.227 -0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.349 13.907 0.410 1.00 0.00 H new ATOM 729 N ARG A 47 1.916 12.784 -2.381 1.00 0.00 N ATOM 730 CA ARG A 47 0.735 12.830 -3.226 1.00 0.00 C ATOM 731 C ARG A 47 0.781 11.673 -4.226 1.00 0.00 C ATOM 732 O ARG A 47 1.658 10.816 -4.132 1.00 0.00 O ATOM 733 CB ARG A 47 0.672 14.197 -3.921 1.00 0.00 C ATOM 734 CG ARG A 47 1.951 14.484 -4.722 1.00 0.00 C ATOM 735 CD ARG A 47 1.726 15.640 -5.692 1.00 0.00 C ATOM 736 NE ARG A 47 0.823 15.222 -6.770 1.00 0.00 N ATOM 737 CZ ARG A 47 0.245 16.034 -7.665 1.00 0.00 C ATOM 738 NH1 ARG A 47 0.540 17.341 -7.695 1.00 0.00 N ATOM 739 NH2 ARG A 47 -0.637 15.525 -8.534 1.00 0.00 N ATOM 0 H ARG A 47 2.672 12.224 -2.774 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.172 12.714 -2.632 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.190 14.227 -4.588 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.526 14.978 -3.175 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.767 14.726 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.250 13.592 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.302 16.493 -5.162 1.00 0.00 H new ATOM 0 HD3 ARG A 47 2.679 15.965 -6.110 1.00 0.00 H new ATOM 0 HE ARG A 47 0.617 14.226 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 47 1.211 17.728 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.093 17.949 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.861 14.530 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.085 16.132 -9.221 1.00 0.00 H new ATOM 753 N GLU A 48 -0.158 11.655 -5.180 1.00 0.00 N ATOM 754 CA GLU A 48 -0.219 10.675 -6.256 1.00 0.00 C ATOM 755 C GLU A 48 0.137 11.355 -7.583 1.00 0.00 C ATOM 756 O GLU A 48 0.091 12.581 -7.695 1.00 0.00 O ATOM 757 CB GLU A 48 -1.620 10.052 -6.310 1.00 0.00 C ATOM 758 CG GLU A 48 -1.582 8.558 -6.682 1.00 0.00 C ATOM 759 CD GLU A 48 -1.370 7.642 -5.480 1.00 0.00 C ATOM 760 OE1 GLU A 48 -2.032 7.869 -4.446 1.00 0.00 O ATOM 761 OE2 GLU A 48 -0.550 6.706 -5.600 1.00 0.00 O ATOM 0 H GLU A 48 -0.912 12.341 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 48 0.500 9.876 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.105 10.171 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.227 10.590 -7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.517 8.289 -7.174 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.782 8.390 -7.403 1.00 0.00 H new ATOM 768 N LEU A 49 0.493 10.545 -8.584 1.00 0.00 N ATOM 769 CA LEU A 49 0.955 10.973 -9.894 1.00 0.00 C ATOM 770 C LEU A 49 0.580 9.875 -10.898 1.00 0.00 C ATOM 771 O LEU A 49 0.538 8.705 -10.527 1.00 0.00 O ATOM 772 CB LEU A 49 2.469 11.213 -9.774 1.00 0.00 C ATOM 773 CG LEU A 49 3.203 11.694 -11.034 1.00 0.00 C ATOM 774 CD1 LEU A 49 2.583 12.981 -11.591 1.00 0.00 C ATOM 775 CD2 LEU A 49 4.672 11.939 -10.650 1.00 0.00 C ATOM 0 H LEU A 49 0.463 9.530 -8.493 1.00 0.00 H new ATOM 0 HA LEU A 49 0.498 11.898 -10.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.634 11.947 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.934 10.283 -9.446 1.00 0.00 H new ATOM 0 HG LEU A 49 3.123 10.937 -11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.128 13.291 -12.482 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.539 12.800 -11.849 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.640 13.768 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.224 12.283 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.722 12.697 -9.868 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.112 11.011 -10.285 1.00 0.00 H new ATOM 787 N CYS A 50 0.291 10.241 -12.153 1.00 0.00 N ATOM 788 CA CYS A 50 -0.197 9.337 -13.194 1.00 0.00 C ATOM 789 C CYS A 50 0.773 9.309 -14.368 1.00 0.00 C ATOM 790 O CYS A 50 1.095 10.368 -14.907 1.00 0.00 O ATOM 791 CB CYS A 50 -1.574 9.807 -13.665 1.00 0.00 C ATOM 792 SG CYS A 50 -2.940 9.070 -12.745 1.00 0.00 S ATOM 0 H CYS A 50 0.394 11.202 -12.478 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.275 8.329 -12.786 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.629 10.892 -13.575 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.688 9.569 -14.722 1.00 0.00 H new ATOM 797 N LEU A 51 1.232 8.109 -14.759 1.00 0.00 N ATOM 798 CA LEU A 51 2.226 7.986 -15.868 1.00 0.00 C ATOM 799 C LEU A 51 1.554 7.432 -17.126 1.00 0.00 C ATOM 800 O LEU A 51 0.532 6.779 -17.052 1.00 0.00 O ATOM 801 CB LEU A 51 3.339 7.033 -15.434 1.00 0.00 C ATOM 802 CG LEU A 51 3.776 7.380 -14.009 1.00 0.00 C ATOM 803 CD1 LEU A 51 4.945 6.477 -13.611 1.00 0.00 C ATOM 804 CD2 LEU A 51 4.228 8.841 -13.962 1.00 0.00 C ATOM 0 H LEU A 51 0.947 7.222 -14.343 1.00 0.00 H new ATOM 0 HA LEU A 51 2.636 8.971 -16.090 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.988 6.002 -15.478 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.186 7.111 -16.115 1.00 0.00 H new ATOM 0 HG LEU A 51 2.944 7.232 -13.321 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.262 6.718 -12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.631 5.434 -13.655 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.776 6.634 -14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.540 9.093 -12.949 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.064 8.985 -14.646 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.402 9.487 -14.258 1.00 0.00 H new ATOM 816 N ASP A 52 2.152 7.707 -18.255 1.00 0.00 N ATOM 817 CA ASP A 52 1.578 7.210 -19.539 1.00 0.00 C ATOM 818 C ASP A 52 2.451 6.043 -20.085 1.00 0.00 C ATOM 819 O ASP A 52 3.563 6.276 -20.516 1.00 0.00 O ATOM 820 CB ASP A 52 1.600 8.353 -20.553 1.00 0.00 C ATOM 821 CG ASP A 52 0.510 8.121 -21.601 1.00 0.00 C ATOM 822 OD1 ASP A 52 0.248 6.958 -21.859 1.00 0.00 O ATOM 823 OD2 ASP A 52 0.003 9.120 -22.083 1.00 0.00 O ATOM 0 H ASP A 52 3.010 8.252 -18.343 1.00 0.00 H new ATOM 0 HA ASP A 52 0.559 6.858 -19.376 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.438 9.305 -20.048 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.577 8.409 -21.034 1.00 0.00 H new ATOM 828 N PRO A 53 1.947 4.802 -20.064 1.00 0.00 N ATOM 829 CA PRO A 53 2.738 3.669 -20.564 1.00 0.00 C ATOM 830 C PRO A 53 3.108 3.884 -22.033 1.00 0.00 C ATOM 831 O PRO A 53 3.802 3.083 -22.629 1.00 0.00 O ATOM 832 CB PRO A 53 1.838 2.438 -20.405 1.00 0.00 C ATOM 833 CG PRO A 53 0.522 2.912 -19.721 1.00 0.00 C ATOM 834 CD PRO A 53 0.600 4.442 -19.576 1.00 0.00 C ATOM 0 HA PRO A 53 3.674 3.554 -20.017 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.627 1.989 -21.375 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.332 1.676 -19.802 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.344 2.627 -20.318 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.406 2.440 -18.745 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.177 4.934 -20.161 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.461 4.748 -18.539 1.00 0.00 H new ATOM 842 N LYS A 54 2.633 4.968 -22.585 1.00 0.00 N ATOM 843 CA LYS A 54 2.941 5.264 -24.004 1.00 0.00 C ATOM 844 C LYS A 54 4.369 5.809 -24.136 1.00 0.00 C ATOM 845 O LYS A 54 4.891 5.915 -25.228 1.00 0.00 O ATOM 846 CB LYS A 54 1.948 6.303 -24.521 1.00 0.00 C ATOM 847 CG LYS A 54 1.984 6.318 -26.050 1.00 0.00 C ATOM 848 CD LYS A 54 0.932 7.303 -26.566 1.00 0.00 C ATOM 849 CE LYS A 54 0.943 7.294 -28.096 1.00 0.00 C ATOM 850 NZ LYS A 54 -0.229 6.537 -28.620 1.00 0.00 N ATOM 0 H LYS A 54 2.047 5.656 -22.112 1.00 0.00 H new ATOM 0 HA LYS A 54 2.861 4.347 -24.589 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.943 6.068 -24.172 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.199 7.289 -24.130 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.975 6.608 -26.400 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.788 5.319 -26.441 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.055 7.026 -26.196 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.142 8.306 -26.195 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.921 8.317 -28.472 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.867 6.842 -28.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.207 6.540 -29.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.191 5.556 -28.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.108 6.986 -28.291 1.00 0.00 H new ATOM 864 N GLU A 55 4.968 6.142 -23.018 1.00 0.00 N ATOM 865 CA GLU A 55 6.362 6.685 -23.064 1.00 0.00 C ATOM 866 C GLU A 55 7.368 5.594 -22.684 1.00 0.00 C ATOM 867 O GLU A 55 7.148 4.835 -21.763 1.00 0.00 O ATOM 868 CB GLU A 55 6.482 7.855 -22.091 1.00 0.00 C ATOM 869 CG GLU A 55 5.386 8.879 -22.392 1.00 0.00 C ATOM 870 CD GLU A 55 6.032 10.214 -22.772 1.00 0.00 C ATOM 871 OE1 GLU A 55 6.818 10.188 -23.705 1.00 0.00 O ATOM 872 OE2 GLU A 55 5.703 11.183 -22.109 1.00 0.00 O ATOM 0 H GLU A 55 4.559 6.063 -22.087 1.00 0.00 H new ATOM 0 HA GLU A 55 6.579 7.026 -24.076 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.391 7.500 -21.065 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.464 8.319 -22.182 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.753 8.523 -23.205 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.743 9.008 -21.521 1.00 0.00 H new ATOM 879 N ASN A 56 8.456 5.550 -23.398 1.00 0.00 N ATOM 880 CA ASN A 56 9.484 4.508 -23.106 1.00 0.00 C ATOM 881 C ASN A 56 10.121 4.729 -21.728 1.00 0.00 C ATOM 882 O ASN A 56 10.364 3.784 -21.005 1.00 0.00 O ATOM 883 CB ASN A 56 10.568 4.565 -24.180 1.00 0.00 C ATOM 884 CG ASN A 56 10.233 3.569 -25.291 1.00 0.00 C ATOM 885 OD1 ASN A 56 9.100 3.163 -25.457 1.00 0.00 O ATOM 886 ND2 ASN A 56 11.188 3.152 -26.076 1.00 0.00 N ATOM 0 H ASN A 56 8.680 6.183 -24.166 1.00 0.00 H new ATOM 0 HA ASN A 56 9.000 3.532 -23.105 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.638 5.573 -24.589 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.539 4.329 -23.745 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.981 2.489 -26.823 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.142 3.489 -25.942 1.00 0.00 H new ATOM 893 N TRP A 57 10.380 5.965 -21.387 1.00 0.00 N ATOM 894 CA TRP A 57 11.014 6.220 -20.059 1.00 0.00 C ATOM 895 C TRP A 57 10.091 5.764 -18.928 1.00 0.00 C ATOM 896 O TRP A 57 10.538 5.516 -17.830 1.00 0.00 O ATOM 897 CB TRP A 57 11.344 7.710 -19.901 1.00 0.00 C ATOM 898 CG TRP A 57 10.072 8.565 -20.002 1.00 0.00 C ATOM 899 CD1 TRP A 57 9.663 9.166 -21.116 1.00 0.00 C ATOM 900 CD2 TRP A 57 9.265 8.855 -18.992 1.00 0.00 C ATOM 901 NE1 TRP A 57 8.568 9.841 -20.734 1.00 0.00 N ATOM 902 CE2 TRP A 57 8.247 9.699 -19.405 1.00 0.00 C ATOM 903 CE3 TRP A 57 9.317 8.445 -17.671 1.00 0.00 C ATOM 904 CZ2 TRP A 57 7.291 10.129 -18.508 1.00 0.00 C ATOM 905 CZ3 TRP A 57 8.356 8.877 -16.774 1.00 0.00 C ATOM 906 CH2 TRP A 57 7.345 9.718 -17.193 1.00 0.00 C ATOM 0 H TRP A 57 10.186 6.790 -21.954 1.00 0.00 H new ATOM 0 HA TRP A 57 11.940 5.648 -20.006 1.00 0.00 H new ATOM 0 HB2 TRP A 57 11.826 7.880 -18.938 1.00 0.00 H new ATOM 0 HB3 TRP A 57 12.053 8.013 -20.671 1.00 0.00 H new ATOM 0 HD1 TRP A 57 10.108 9.121 -22.099 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.019 10.412 -21.377 1.00 0.00 H new ATOM 0 HE3 TRP A 57 10.108 7.788 -17.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 6.500 10.788 -18.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 8.397 8.555 -15.744 1.00 0.00 H new ATOM 0 HH2 TRP A 57 6.596 10.054 -16.491 1.00 0.00 H new ATOM 917 N VAL A 58 8.825 5.655 -19.213 1.00 0.00 N ATOM 918 CA VAL A 58 7.887 5.206 -18.144 1.00 0.00 C ATOM 919 C VAL A 58 8.041 3.705 -17.934 1.00 0.00 C ATOM 920 O VAL A 58 8.014 3.222 -16.820 1.00 0.00 O ATOM 921 CB VAL A 58 6.450 5.520 -18.565 1.00 0.00 C ATOM 922 CG1 VAL A 58 5.487 4.604 -17.811 1.00 0.00 C ATOM 923 CG2 VAL A 58 6.132 6.974 -18.225 1.00 0.00 C ATOM 0 H VAL A 58 8.403 5.852 -20.120 1.00 0.00 H new ATOM 0 HA VAL A 58 8.115 5.727 -17.214 1.00 0.00 H new ATOM 0 HB VAL A 58 6.341 5.360 -19.638 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.463 4.827 -18.110 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.715 3.564 -18.045 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.595 4.766 -16.739 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.109 7.202 -18.523 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.240 7.129 -17.151 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.820 7.631 -18.757 1.00 0.00 H new ATOM 933 N GLN A 59 8.202 3.001 -19.013 1.00 0.00 N ATOM 934 CA GLN A 59 8.372 1.532 -18.903 1.00 0.00 C ATOM 935 C GLN A 59 9.713 1.217 -18.235 1.00 0.00 C ATOM 936 O GLN A 59 9.912 0.144 -17.712 1.00 0.00 O ATOM 937 CB GLN A 59 8.350 0.925 -20.306 1.00 0.00 C ATOM 938 CG GLN A 59 8.010 -0.561 -20.207 1.00 0.00 C ATOM 939 CD GLN A 59 7.969 -1.166 -21.611 1.00 0.00 C ATOM 940 OE1 GLN A 59 8.450 -0.585 -22.563 1.00 0.00 O ATOM 941 NE2 GLN A 59 7.403 -2.329 -21.784 1.00 0.00 N ATOM 0 H GLN A 59 8.223 3.376 -19.961 1.00 0.00 H new ATOM 0 HA GLN A 59 7.565 1.113 -18.303 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.614 1.438 -20.925 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.319 1.057 -20.787 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.753 -1.076 -19.598 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.047 -0.693 -19.714 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.997 -2.822 -20.989 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.366 -2.745 -22.715 1.00 0.00 H new ATOM 950 N ARG A 60 10.599 2.176 -18.256 1.00 0.00 N ATOM 951 CA ARG A 60 11.941 1.949 -17.645 1.00 0.00 C ATOM 952 C ARG A 60 11.938 2.289 -16.148 1.00 0.00 C ATOM 953 O ARG A 60 12.221 1.443 -15.324 1.00 0.00 O ATOM 954 CB ARG A 60 12.964 2.829 -18.360 1.00 0.00 C ATOM 955 CG ARG A 60 14.169 1.978 -18.762 1.00 0.00 C ATOM 956 CD ARG A 60 15.195 2.863 -19.471 1.00 0.00 C ATOM 957 NE ARG A 60 16.542 2.242 -19.340 1.00 0.00 N ATOM 958 CZ ARG A 60 17.310 2.153 -20.390 1.00 0.00 C ATOM 959 NH1 ARG A 60 17.394 3.171 -21.201 1.00 0.00 N ATOM 960 NH2 ARG A 60 17.972 1.046 -20.592 1.00 0.00 N ATOM 0 H ARG A 60 10.454 3.099 -18.666 1.00 0.00 H new ATOM 0 HA ARG A 60 12.198 0.895 -17.753 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.515 3.285 -19.243 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.280 3.643 -17.707 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.615 1.518 -17.880 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.854 1.167 -19.419 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.933 2.975 -20.523 1.00 0.00 H new ATOM 0 HD3 ARG A 60 15.197 3.862 -19.035 1.00 0.00 H new ATOM 0 HE ARG A 60 16.861 1.890 -18.438 1.00 0.00 H new ATOM 0 HH11 ARG A 60 16.863 4.021 -21.009 1.00 0.00 H new ATOM 0 HH12 ARG A 60 17.990 3.117 -22.027 1.00 0.00 H new ATOM 0 HH21 ARG A 60 17.883 0.271 -19.935 1.00 0.00 H new ATOM 0 HH22 ARG A 60 18.578 0.956 -21.407 1.00 0.00 H new ATOM 974 N VAL A 61 11.618 3.517 -15.820 1.00 0.00 N ATOM 975 CA VAL A 61 11.617 3.897 -14.383 1.00 0.00 C ATOM 976 C VAL A 61 10.663 2.977 -13.614 1.00 0.00 C ATOM 977 O VAL A 61 10.892 2.659 -12.462 1.00 0.00 O ATOM 978 CB VAL A 61 11.179 5.358 -14.255 1.00 0.00 C ATOM 979 CG1 VAL A 61 12.088 6.233 -15.126 1.00 0.00 C ATOM 980 CG2 VAL A 61 9.729 5.491 -14.729 1.00 0.00 C ATOM 0 H VAL A 61 11.363 4.256 -16.475 1.00 0.00 H new ATOM 0 HA VAL A 61 12.617 3.789 -13.963 1.00 0.00 H new ATOM 0 HB VAL A 61 11.252 5.679 -13.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.781 7.275 -15.039 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.121 6.130 -14.793 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.009 5.917 -16.166 1.00 0.00 H new ATOM 0 HG21 VAL A 61 9.411 6.530 -14.640 1.00 0.00 H new ATOM 0 HG22 VAL A 61 9.656 5.177 -15.770 1.00 0.00 H new ATOM 0 HG23 VAL A 61 9.086 4.861 -14.114 1.00 0.00 H new ATOM 990 N VAL A 62 9.618 2.559 -14.271 1.00 0.00 N ATOM 991 CA VAL A 62 8.656 1.642 -13.600 1.00 0.00 C ATOM 992 C VAL A 62 9.267 0.241 -13.517 1.00 0.00 C ATOM 993 O VAL A 62 9.135 -0.439 -12.519 1.00 0.00 O ATOM 994 CB VAL A 62 7.358 1.591 -14.405 1.00 0.00 C ATOM 995 CG1 VAL A 62 6.444 0.513 -13.820 1.00 0.00 C ATOM 996 CG2 VAL A 62 6.655 2.948 -14.315 1.00 0.00 C ATOM 0 H VAL A 62 9.390 2.809 -15.233 1.00 0.00 H new ATOM 0 HA VAL A 62 8.443 2.004 -12.594 1.00 0.00 H new ATOM 0 HB VAL A 62 7.581 1.360 -15.447 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.517 0.473 -14.391 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.944 -0.454 -13.871 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.220 0.751 -12.780 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.728 2.916 -14.888 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.430 3.173 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.306 3.723 -14.720 1.00 0.00 H new ATOM 1006 N GLU A 63 9.928 -0.159 -14.574 1.00 0.00 N ATOM 1007 CA GLU A 63 10.566 -1.508 -14.569 1.00 0.00 C ATOM 1008 C GLU A 63 11.591 -1.590 -13.439 1.00 0.00 C ATOM 1009 O GLU A 63 11.690 -2.591 -12.759 1.00 0.00 O ATOM 1010 CB GLU A 63 11.271 -1.739 -15.905 1.00 0.00 C ATOM 1011 CG GLU A 63 12.106 -3.017 -15.815 1.00 0.00 C ATOM 1012 CD GLU A 63 12.260 -3.621 -17.212 1.00 0.00 C ATOM 1013 OE1 GLU A 63 13.114 -3.121 -17.926 1.00 0.00 O ATOM 1014 OE2 GLU A 63 11.512 -4.545 -17.487 1.00 0.00 O ATOM 0 H GLU A 63 10.052 0.383 -15.429 1.00 0.00 H new ATOM 0 HA GLU A 63 9.800 -2.268 -14.419 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.538 -1.824 -16.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.909 -0.889 -16.145 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.086 -2.796 -15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.625 -3.733 -15.148 1.00 0.00 H new ATOM 1021 N LYS A 64 12.334 -0.530 -13.262 1.00 0.00 N ATOM 1022 CA LYS A 64 13.355 -0.535 -12.183 1.00 0.00 C ATOM 1023 C LYS A 64 12.674 -0.692 -10.821 1.00 0.00 C ATOM 1024 O LYS A 64 13.148 -1.420 -9.971 1.00 0.00 O ATOM 1025 CB LYS A 64 14.138 0.776 -12.222 1.00 0.00 C ATOM 1026 CG LYS A 64 15.460 0.546 -12.959 1.00 0.00 C ATOM 1027 CD LYS A 64 16.223 1.868 -13.054 1.00 0.00 C ATOM 1028 CE LYS A 64 17.502 1.649 -13.864 1.00 0.00 C ATOM 1029 NZ LYS A 64 18.567 2.593 -13.424 1.00 0.00 N ATOM 0 H LYS A 64 12.277 0.327 -13.812 1.00 0.00 H new ATOM 0 HA LYS A 64 14.038 -1.371 -12.335 1.00 0.00 H new ATOM 0 HB2 LYS A 64 13.556 1.547 -12.726 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.329 1.131 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 64 16.059 -0.196 -12.431 1.00 0.00 H new ATOM 0 HG3 LYS A 64 15.269 0.151 -13.957 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.602 2.627 -13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.467 2.234 -12.057 1.00 0.00 H new ATOM 0 HE2 LYS A 64 17.845 0.622 -13.742 1.00 0.00 H new ATOM 0 HE3 LYS A 64 17.297 1.792 -14.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.428 2.431 -13.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.243 3.571 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.775 2.437 -12.417 1.00 0.00 H new ATOM 1043 N PHE A 65 11.574 -0.008 -10.639 1.00 0.00 N ATOM 1044 CA PHE A 65 10.859 -0.127 -9.335 1.00 0.00 C ATOM 1045 C PHE A 65 10.549 -1.595 -9.038 1.00 0.00 C ATOM 1046 O PHE A 65 10.739 -2.059 -7.932 1.00 0.00 O ATOM 1047 CB PHE A 65 9.558 0.653 -9.389 1.00 0.00 C ATOM 1048 CG PHE A 65 8.813 0.452 -8.067 1.00 0.00 C ATOM 1049 CD1 PHE A 65 9.285 1.029 -6.900 1.00 0.00 C ATOM 1050 CD2 PHE A 65 7.658 -0.311 -8.017 1.00 0.00 C ATOM 1051 CE1 PHE A 65 8.614 0.844 -5.706 1.00 0.00 C ATOM 1052 CE2 PHE A 65 6.991 -0.495 -6.821 1.00 0.00 C ATOM 1053 CZ PHE A 65 7.469 0.081 -5.668 1.00 0.00 C ATOM 0 H PHE A 65 11.147 0.616 -11.323 1.00 0.00 H new ATOM 0 HA PHE A 65 11.497 0.276 -8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.758 1.712 -9.553 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.946 0.311 -10.224 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.184 1.628 -6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.276 -0.765 -8.919 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.989 1.299 -4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.092 -1.093 -6.792 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.947 -0.065 -4.734 1.00 0.00 H new ATOM 1063 N LEU A 66 10.076 -2.297 -10.033 1.00 0.00 N ATOM 1064 CA LEU A 66 9.745 -3.737 -9.823 1.00 0.00 C ATOM 1065 C LEU A 66 11.020 -4.538 -9.540 1.00 0.00 C ATOM 1066 O LEU A 66 11.052 -5.369 -8.654 1.00 0.00 O ATOM 1067 CB LEU A 66 9.067 -4.281 -11.079 1.00 0.00 C ATOM 1068 CG LEU A 66 7.557 -4.059 -10.972 1.00 0.00 C ATOM 1069 CD1 LEU A 66 6.959 -3.981 -12.377 1.00 0.00 C ATOM 1070 CD2 LEU A 66 6.926 -5.234 -10.221 1.00 0.00 C ATOM 0 H LEU A 66 9.906 -1.940 -10.973 1.00 0.00 H new ATOM 0 HA LEU A 66 9.075 -3.831 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.458 -3.780 -11.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.283 -5.343 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 66 7.359 -3.131 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.883 -3.823 -12.306 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.413 -3.152 -12.920 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.155 -4.913 -12.908 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.850 -5.080 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.121 -6.159 -10.763 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.357 -5.301 -9.222 1.00 0.00 H new ATOM 1082 N LYS A 67 12.046 -4.273 -10.304 1.00 0.00 N ATOM 1083 CA LYS A 67 13.326 -5.010 -10.093 1.00 0.00 C ATOM 1084 C LYS A 67 13.945 -4.620 -8.747 1.00 0.00 C ATOM 1085 O LYS A 67 14.687 -5.382 -8.157 1.00 0.00 O ATOM 1086 CB LYS A 67 14.294 -4.661 -11.220 1.00 0.00 C ATOM 1087 CG LYS A 67 15.084 -5.912 -11.608 1.00 0.00 C ATOM 1088 CD LYS A 67 16.311 -5.497 -12.422 1.00 0.00 C ATOM 1089 CE LYS A 67 17.120 -6.741 -12.768 1.00 0.00 C ATOM 1090 NZ LYS A 67 18.181 -6.435 -13.767 1.00 0.00 N ATOM 0 H LYS A 67 12.054 -3.586 -11.057 1.00 0.00 H new ATOM 0 HA LYS A 67 13.128 -6.082 -10.092 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.746 -4.280 -12.082 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.974 -3.871 -10.900 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.392 -6.455 -10.714 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.457 -6.587 -12.191 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.003 -4.983 -13.332 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.922 -4.797 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.575 -7.145 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.457 -7.511 -13.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.715 -7.301 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.744 -6.072 -14.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.827 -5.718 -13.379 1.00 0.00 H new ATOM 1104 N ARG A 68 13.627 -3.438 -8.289 1.00 0.00 N ATOM 1105 CA ARG A 68 14.189 -2.982 -6.984 1.00 0.00 C ATOM 1106 C ARG A 68 13.361 -3.543 -5.823 1.00 0.00 C ATOM 1107 O ARG A 68 13.903 -4.022 -4.848 1.00 0.00 O ATOM 1108 CB ARG A 68 14.162 -1.456 -6.937 1.00 0.00 C ATOM 1109 CG ARG A 68 14.692 -0.985 -5.582 1.00 0.00 C ATOM 1110 CD ARG A 68 15.614 0.218 -5.793 1.00 0.00 C ATOM 1111 NE ARG A 68 15.810 0.911 -4.488 1.00 0.00 N ATOM 1112 CZ ARG A 68 16.879 1.635 -4.300 1.00 0.00 C ATOM 1113 NH1 ARG A 68 17.680 1.848 -5.307 1.00 0.00 N ATOM 1114 NH2 ARG A 68 17.110 2.122 -3.111 1.00 0.00 N ATOM 0 H ARG A 68 13.009 -2.775 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 68 15.214 -3.341 -6.890 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.771 -1.045 -7.742 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.145 -1.094 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.863 -0.713 -4.928 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.234 -1.792 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.573 -0.108 -6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.180 0.902 -6.522 1.00 0.00 H new ATOM 0 HE ARG A 68 15.114 0.820 -3.748 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.466 1.451 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 68 18.521 2.411 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.460 1.934 -2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.941 2.690 -2.945 1.00 0.00 H new ATOM 1128 N ALA A 69 12.065 -3.473 -5.954 1.00 0.00 N ATOM 1129 CA ALA A 69 11.189 -4.000 -4.864 1.00 0.00 C ATOM 1130 C ALA A 69 11.286 -5.529 -4.807 1.00 0.00 C ATOM 1131 O ALA A 69 11.017 -6.132 -3.787 1.00 0.00 O ATOM 1132 CB ALA A 69 9.742 -3.588 -5.140 1.00 0.00 C ATOM 0 H ALA A 69 11.577 -3.079 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 69 11.514 -3.589 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.098 -3.970 -4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.673 -2.501 -5.172 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.423 -4.000 -6.097 1.00 0.00 H new ATOM 1138 N GLU A 70 11.671 -6.119 -5.905 1.00 0.00 N ATOM 1139 CA GLU A 70 11.794 -7.605 -5.934 1.00 0.00 C ATOM 1140 C GLU A 70 13.146 -8.033 -5.353 1.00 0.00 C ATOM 1141 O GLU A 70 13.230 -8.988 -4.606 1.00 0.00 O ATOM 1142 CB GLU A 70 11.682 -8.089 -7.379 1.00 0.00 C ATOM 1143 CG GLU A 70 11.743 -9.619 -7.405 1.00 0.00 C ATOM 1144 CD GLU A 70 11.498 -10.112 -8.832 1.00 0.00 C ATOM 1145 OE1 GLU A 70 10.337 -10.124 -9.209 1.00 0.00 O ATOM 1146 OE2 GLU A 70 12.486 -10.449 -9.466 1.00 0.00 O ATOM 0 H GLU A 70 11.904 -5.642 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 70 10.997 -8.044 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 10.747 -7.743 -7.819 1.00 0.00 H new ATOM 0 HB3 GLU A 70 12.490 -7.671 -7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.716 -9.961 -7.052 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.995 -10.035 -6.731 1.00 0.00 H new ATOM 1153 N ASN A 71 14.175 -7.316 -5.711 1.00 0.00 N ATOM 1154 CA ASN A 71 15.529 -7.664 -5.190 1.00 0.00 C ATOM 1155 C ASN A 71 15.616 -7.350 -3.692 1.00 0.00 C ATOM 1156 O ASN A 71 16.380 -7.958 -2.971 1.00 0.00 O ATOM 1157 CB ASN A 71 16.579 -6.851 -5.944 1.00 0.00 C ATOM 1158 CG ASN A 71 17.922 -6.964 -5.220 1.00 0.00 C ATOM 1159 OD1 ASN A 71 18.146 -6.335 -4.206 1.00 0.00 O ATOM 1160 ND2 ASN A 71 18.839 -7.752 -5.708 1.00 0.00 N ATOM 0 H ASN A 71 14.139 -6.511 -6.336 1.00 0.00 H new ATOM 0 HA ASN A 71 15.708 -8.729 -5.337 1.00 0.00 H new ATOM 0 HB2 ASN A 71 16.672 -7.216 -6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 71 16.272 -5.807 -6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 71 19.740 -7.838 -5.238 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.655 -8.282 -6.560 1.00 0.00 H new ATOM 1167 N SER A 72 14.830 -6.403 -3.260 1.00 0.00 N ATOM 1168 CA SER A 72 14.853 -6.035 -1.814 1.00 0.00 C ATOM 1169 C SER A 72 14.501 -7.253 -0.953 1.00 0.00 C ATOM 1170 O SER A 72 14.208 -7.028 0.210 1.00 0.00 O ATOM 1171 CB SER A 72 13.835 -4.923 -1.564 1.00 0.00 C ATOM 1172 OG SER A 72 14.463 -4.088 -0.603 1.00 0.00 O ATOM 1173 OXT SER A 72 14.544 -8.338 -1.508 1.00 0.00 O ATOM 0 H SER A 72 14.178 -5.872 -3.838 1.00 0.00 H new ATOM 0 HA SER A 72 15.852 -5.691 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.609 -4.377 -2.480 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.892 -5.322 -1.190 1.00 0.00 H new ATOM 0 HG SER A 72 13.871 -3.338 -0.384 1.00 0.00 H new TER 1179 SER A 72 ATOM 1180 N ALA B 2 7.267 7.214 15.993 1.00 0.00 N ATOM 1181 CA ALA B 2 8.397 6.283 15.707 1.00 0.00 C ATOM 1182 C ALA B 2 8.542 5.288 16.862 1.00 0.00 C ATOM 1183 O ALA B 2 9.464 5.382 17.650 1.00 0.00 O ATOM 1184 CB ALA B 2 9.703 7.057 15.543 1.00 0.00 C ATOM 0 HA ALA B 2 8.184 5.751 14.780 1.00 0.00 H new ATOM 0 HB1 ALA B 2 10.515 6.360 15.335 1.00 0.00 H new ATOM 0 HB2 ALA B 2 9.608 7.761 14.716 1.00 0.00 H new ATOM 0 HB3 ALA B 2 9.920 7.603 16.461 1.00 0.00 H new ATOM 1189 N LYS B 3 7.624 4.357 16.936 1.00 0.00 N ATOM 1190 CA LYS B 3 7.680 3.337 18.031 1.00 0.00 C ATOM 1191 C LYS B 3 7.523 1.929 17.447 1.00 0.00 C ATOM 1192 O LYS B 3 8.441 1.133 17.483 1.00 0.00 O ATOM 1193 CB LYS B 3 6.552 3.602 19.038 1.00 0.00 C ATOM 1194 CG LYS B 3 5.969 5.009 18.811 1.00 0.00 C ATOM 1195 CD LYS B 3 5.127 5.030 17.524 1.00 0.00 C ATOM 1196 CE LYS B 3 3.693 5.440 17.869 1.00 0.00 C ATOM 1197 NZ LYS B 3 3.115 4.514 18.884 1.00 0.00 N ATOM 0 H LYS B 3 6.841 4.258 16.290 1.00 0.00 H new ATOM 0 HA LYS B 3 8.644 3.409 18.534 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.769 2.852 18.927 1.00 0.00 H new ATOM 0 HB3 LYS B 3 6.933 3.516 20.056 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.353 5.298 19.663 1.00 0.00 H new ATOM 0 HG3 LYS B 3 6.776 5.738 18.739 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.555 5.729 16.806 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.134 4.046 17.054 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.682 6.461 18.251 1.00 0.00 H new ATOM 0 HE3 LYS B 3 3.079 5.431 16.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 2.104 4.371 18.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 3.609 3.600 18.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.228 4.925 19.833 1.00 0.00 H new ATOM 1211 N GLU B 4 6.362 1.651 16.919 1.00 0.00 N ATOM 1212 CA GLU B 4 6.127 0.300 16.328 1.00 0.00 C ATOM 1213 C GLU B 4 5.234 0.413 15.087 1.00 0.00 C ATOM 1214 O GLU B 4 4.152 0.963 15.148 1.00 0.00 O ATOM 1215 CB GLU B 4 5.444 -0.588 17.366 1.00 0.00 C ATOM 1216 CG GLU B 4 6.232 -0.524 18.675 1.00 0.00 C ATOM 1217 CD GLU B 4 5.745 -1.629 19.615 1.00 0.00 C ATOM 1218 OE1 GLU B 4 4.881 -2.370 19.178 1.00 0.00 O ATOM 1219 OE2 GLU B 4 6.266 -1.669 20.717 1.00 0.00 O ATOM 0 H GLU B 4 5.571 2.294 16.871 1.00 0.00 H new ATOM 0 HA GLU B 4 7.083 -0.135 16.037 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.418 -0.257 17.528 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.394 -1.616 17.007 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.297 -0.643 18.477 1.00 0.00 H new ATOM 0 HG3 GLU B 4 6.101 0.451 19.144 1.00 0.00 H new ATOM 1226 N LEU B 5 5.713 -0.114 13.989 1.00 0.00 N ATOM 1227 CA LEU B 5 4.914 -0.056 12.723 1.00 0.00 C ATOM 1228 C LEU B 5 4.882 -1.438 12.063 1.00 0.00 C ATOM 1229 O LEU B 5 5.905 -2.073 11.904 1.00 0.00 O ATOM 1230 CB LEU B 5 5.560 0.948 11.770 1.00 0.00 C ATOM 1231 CG LEU B 5 5.389 2.361 12.330 1.00 0.00 C ATOM 1232 CD1 LEU B 5 6.756 3.045 12.395 1.00 0.00 C ATOM 1233 CD2 LEU B 5 4.470 3.160 11.404 1.00 0.00 C ATOM 0 H LEU B 5 6.617 -0.580 13.912 1.00 0.00 H new ATOM 0 HA LEU B 5 3.894 0.253 12.952 1.00 0.00 H new ATOM 0 HB2 LEU B 5 6.619 0.720 11.646 1.00 0.00 H new ATOM 0 HB3 LEU B 5 5.101 0.878 10.784 1.00 0.00 H new ATOM 0 HG LEU B 5 4.954 2.312 13.328 1.00 0.00 H new ATOM 0 HD11 LEU B 5 6.640 4.053 12.794 1.00 0.00 H new ATOM 0 HD12 LEU B 5 7.419 2.472 13.044 1.00 0.00 H new ATOM 0 HD13 LEU B 5 7.184 3.098 11.394 1.00 0.00 H new ATOM 0 HD21 LEU B 5 4.344 4.168 11.798 1.00 0.00 H new ATOM 0 HD22 LEU B 5 4.912 3.212 10.409 1.00 0.00 H new ATOM 0 HD23 LEU B 5 3.498 2.670 11.344 1.00 0.00 H new ATOM 1245 N ARG B 6 3.707 -1.873 11.693 1.00 0.00 N ATOM 1246 CA ARG B 6 3.594 -3.218 11.053 1.00 0.00 C ATOM 1247 C ARG B 6 3.555 -3.085 9.528 1.00 0.00 C ATOM 1248 O ARG B 6 3.153 -2.068 8.999 1.00 0.00 O ATOM 1249 CB ARG B 6 2.307 -3.910 11.524 1.00 0.00 C ATOM 1250 CG ARG B 6 1.966 -3.478 12.957 1.00 0.00 C ATOM 1251 CD ARG B 6 3.121 -3.846 13.887 1.00 0.00 C ATOM 1252 NE ARG B 6 2.617 -3.871 15.290 1.00 0.00 N ATOM 1253 CZ ARG B 6 2.493 -5.014 15.906 1.00 0.00 C ATOM 1254 NH1 ARG B 6 3.513 -5.484 16.570 1.00 0.00 N ATOM 1255 NH2 ARG B 6 1.354 -5.649 15.840 1.00 0.00 N ATOM 0 H ARG B 6 2.830 -1.364 11.804 1.00 0.00 H new ATOM 0 HA ARG B 6 4.463 -3.810 11.340 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.484 -3.658 10.855 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.431 -4.992 11.483 1.00 0.00 H new ATOM 0 HG2 ARG B 6 1.785 -2.404 12.991 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.049 -3.966 13.287 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.529 -4.819 13.615 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.930 -3.122 13.789 1.00 0.00 H new ATOM 0 HE ARG B 6 2.371 -3.002 15.764 1.00 0.00 H new ATOM 0 HH11 ARG B 6 4.387 -4.959 16.601 1.00 0.00 H new ATOM 0 HH12 ARG B 6 3.436 -6.376 17.059 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.578 -5.250 15.312 1.00 0.00 H new ATOM 0 HH22 ARG B 6 1.241 -6.544 16.316 1.00 0.00 H new ATOM 1269 N CYS B 7 3.974 -4.125 8.854 1.00 0.00 N ATOM 1270 CA CYS B 7 3.962 -4.088 7.364 1.00 0.00 C ATOM 1271 C CYS B 7 2.525 -3.926 6.859 1.00 0.00 C ATOM 1272 O CYS B 7 1.584 -4.258 7.553 1.00 0.00 O ATOM 1273 CB CYS B 7 4.535 -5.400 6.829 1.00 0.00 C ATOM 1274 SG CYS B 7 6.335 -5.576 6.800 1.00 0.00 S ATOM 0 H CYS B 7 4.321 -4.990 9.268 1.00 0.00 H new ATOM 0 HA CYS B 7 4.563 -3.247 7.018 1.00 0.00 H new ATOM 0 HB2 CYS B 7 4.127 -6.214 7.428 1.00 0.00 H new ATOM 0 HB3 CYS B 7 4.167 -5.538 5.812 1.00 0.00 H new ATOM 1279 N GLN B 8 2.378 -3.419 5.665 1.00 0.00 N ATOM 1280 CA GLN B 8 1.002 -3.253 5.116 1.00 0.00 C ATOM 1281 C GLN B 8 0.345 -4.627 4.958 1.00 0.00 C ATOM 1282 O GLN B 8 -0.864 -4.748 5.016 1.00 0.00 O ATOM 1283 CB GLN B 8 1.075 -2.557 3.755 1.00 0.00 C ATOM 1284 CG GLN B 8 1.235 -1.047 3.965 1.00 0.00 C ATOM 1285 CD GLN B 8 -0.131 -0.369 3.830 1.00 0.00 C ATOM 1286 OE1 GLN B 8 -0.721 -0.360 2.666 1.00 0.00 O flip ATOM 1287 NE2 GLN B 8 -0.671 0.158 4.782 1.00 0.00 N flip ATOM 0 H GLN B 8 3.137 -3.117 5.055 1.00 0.00 H new ATOM 0 HA GLN B 8 0.409 -2.646 5.800 1.00 0.00 H new ATOM 0 HB2 GLN B 8 1.915 -2.946 3.179 1.00 0.00 H new ATOM 0 HB3 GLN B 8 0.172 -2.762 3.180 1.00 0.00 H new ATOM 0 HG2 GLN B 8 1.657 -0.848 4.950 1.00 0.00 H new ATOM 0 HG3 GLN B 8 1.931 -0.638 3.232 1.00 0.00 H new ATOM 0 HE21 GLN B 8 -0.214 0.154 5.694 1.00 0.00 H new ATOM 0 HE22 GLN B 8 -1.581 0.605 4.669 1.00 0.00 H new ATOM 1296 N CYS B 9 1.163 -5.630 4.755 1.00 0.00 N ATOM 1297 CA CYS B 9 0.622 -7.017 4.591 1.00 0.00 C ATOM 1298 C CYS B 9 1.217 -7.948 5.652 1.00 0.00 C ATOM 1299 O CYS B 9 2.392 -8.256 5.622 1.00 0.00 O ATOM 1300 CB CYS B 9 0.992 -7.531 3.204 1.00 0.00 C ATOM 1301 SG CYS B 9 0.084 -6.847 1.800 1.00 0.00 S ATOM 0 H CYS B 9 2.178 -5.550 4.696 1.00 0.00 H new ATOM 0 HA CYS B 9 -0.461 -6.996 4.708 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.053 -7.340 3.045 1.00 0.00 H new ATOM 0 HB3 CYS B 9 0.858 -8.613 3.198 1.00 0.00 H new ATOM 1306 N ILE B 10 0.391 -8.376 6.566 1.00 0.00 N ATOM 1307 CA ILE B 10 0.890 -9.296 7.632 1.00 0.00 C ATOM 1308 C ILE B 10 0.688 -10.753 7.200 1.00 0.00 C ATOM 1309 O ILE B 10 1.483 -11.614 7.527 1.00 0.00 O ATOM 1310 CB ILE B 10 0.118 -9.033 8.925 1.00 0.00 C ATOM 1311 CG1 ILE B 10 0.080 -7.525 9.188 1.00 0.00 C ATOM 1312 CG2 ILE B 10 0.826 -9.730 10.087 1.00 0.00 C ATOM 1313 CD1 ILE B 10 -0.640 -7.265 10.514 1.00 0.00 C ATOM 0 H ILE B 10 -0.598 -8.133 6.623 1.00 0.00 H new ATOM 0 HA ILE B 10 1.953 -9.118 7.796 1.00 0.00 H new ATOM 0 HB ILE B 10 -0.898 -9.417 8.832 1.00 0.00 H new ATOM 0 HG12 ILE B 10 1.093 -7.124 9.225 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -0.435 -7.014 8.374 1.00 0.00 H new ATOM 0 HG21 ILE B 10 0.278 -9.544 11.011 1.00 0.00 H new ATOM 0 HG22 ILE B 10 0.866 -10.803 9.898 1.00 0.00 H new ATOM 0 HG23 ILE B 10 1.840 -9.340 10.182 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -0.670 -6.193 10.707 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -1.657 -7.653 10.458 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -0.106 -7.764 11.322 1.00 0.00 H new ATOM 1325 N LYS B 11 -0.377 -10.989 6.476 1.00 0.00 N ATOM 1326 CA LYS B 11 -0.664 -12.379 5.996 1.00 0.00 C ATOM 1327 C LYS B 11 -0.695 -12.404 4.464 1.00 0.00 C ATOM 1328 O LYS B 11 -0.604 -11.374 3.826 1.00 0.00 O ATOM 1329 CB LYS B 11 -2.020 -12.824 6.541 1.00 0.00 C ATOM 1330 CG LYS B 11 -1.837 -14.103 7.360 1.00 0.00 C ATOM 1331 CD LYS B 11 -3.182 -14.508 7.964 1.00 0.00 C ATOM 1332 CE LYS B 11 -3.211 -16.025 8.155 1.00 0.00 C ATOM 1333 NZ LYS B 11 -4.122 -16.393 9.275 1.00 0.00 N ATOM 0 H LYS B 11 -1.059 -10.284 6.196 1.00 0.00 H new ATOM 0 HA LYS B 11 0.116 -13.054 6.347 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -2.451 -12.039 7.162 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -2.715 -13.000 5.720 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -1.453 -14.903 6.727 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -1.103 -13.942 8.150 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -3.331 -14.006 8.920 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -3.996 -14.196 7.310 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -3.543 -16.507 7.235 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -2.205 -16.391 8.362 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -4.130 -17.426 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -3.789 -15.949 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -5.085 -16.061 9.063 1.00 0.00 H new ATOM 1347 N THR B 12 -0.822 -13.583 3.908 1.00 0.00 N ATOM 1348 CA THR B 12 -0.860 -13.694 2.415 1.00 0.00 C ATOM 1349 C THR B 12 -1.958 -14.673 1.981 1.00 0.00 C ATOM 1350 O THR B 12 -2.644 -15.247 2.803 1.00 0.00 O ATOM 1351 CB THR B 12 0.498 -14.197 1.914 1.00 0.00 C ATOM 1352 OG1 THR B 12 0.796 -15.322 2.734 1.00 0.00 O ATOM 1353 CG2 THR B 12 1.610 -13.186 2.194 1.00 0.00 C ATOM 0 H THR B 12 -0.900 -14.465 4.415 1.00 0.00 H new ATOM 0 HA THR B 12 -1.075 -12.714 1.990 1.00 0.00 H new ATOM 0 HB THR B 12 0.448 -14.394 0.843 1.00 0.00 H new ATOM 0 HG1 THR B 12 1.659 -15.701 2.468 1.00 0.00 H new ATOM 0 HG21 THR B 12 2.558 -13.577 1.825 1.00 0.00 H new ATOM 0 HG22 THR B 12 1.383 -12.247 1.689 1.00 0.00 H new ATOM 0 HG23 THR B 12 1.682 -13.013 3.268 1.00 0.00 H new ATOM 1361 N TYR B 13 -2.095 -14.837 0.691 1.00 0.00 N ATOM 1362 CA TYR B 13 -3.145 -15.764 0.169 1.00 0.00 C ATOM 1363 C TYR B 13 -2.514 -17.102 -0.242 1.00 0.00 C ATOM 1364 O TYR B 13 -1.655 -17.148 -1.102 1.00 0.00 O ATOM 1365 CB TYR B 13 -3.809 -15.109 -1.049 1.00 0.00 C ATOM 1366 CG TYR B 13 -5.297 -15.475 -1.100 1.00 0.00 C ATOM 1367 CD1 TYR B 13 -6.144 -15.128 -0.065 1.00 0.00 C ATOM 1368 CD2 TYR B 13 -5.814 -16.155 -2.186 1.00 0.00 C ATOM 1369 CE1 TYR B 13 -7.484 -15.458 -0.117 1.00 0.00 C ATOM 1370 CE2 TYR B 13 -7.153 -16.481 -2.236 1.00 0.00 C ATOM 1371 CZ TYR B 13 -7.998 -16.137 -1.201 1.00 0.00 C ATOM 1372 OH TYR B 13 -9.336 -16.465 -1.252 1.00 0.00 O ATOM 0 H TYR B 13 -1.530 -14.373 -0.020 1.00 0.00 H new ATOM 0 HA TYR B 13 -3.886 -15.955 0.945 1.00 0.00 H new ATOM 0 HB2 TYR B 13 -3.695 -14.026 -0.997 1.00 0.00 H new ATOM 0 HB3 TYR B 13 -3.314 -15.438 -1.963 1.00 0.00 H new ATOM 0 HD1 TYR B 13 -5.756 -14.595 0.790 1.00 0.00 H new ATOM 0 HD2 TYR B 13 -5.164 -16.433 -3.002 1.00 0.00 H new ATOM 0 HE1 TYR B 13 -8.135 -15.182 0.699 1.00 0.00 H new ATOM 0 HE2 TYR B 13 -7.544 -17.010 -3.093 1.00 0.00 H new ATOM 0 HH TYR B 13 -9.525 -16.940 -2.088 1.00 0.00 H new ATOM 1382 N SER B 14 -2.957 -18.161 0.384 1.00 0.00 N ATOM 1383 CA SER B 14 -2.394 -19.506 0.049 1.00 0.00 C ATOM 1384 C SER B 14 -3.326 -20.254 -0.913 1.00 0.00 C ATOM 1385 O SER B 14 -3.499 -21.452 -0.810 1.00 0.00 O ATOM 1386 CB SER B 14 -2.237 -20.316 1.335 1.00 0.00 C ATOM 1387 OG SER B 14 -3.571 -20.584 1.741 1.00 0.00 O ATOM 0 H SER B 14 -3.677 -18.156 1.106 1.00 0.00 H new ATOM 0 HA SER B 14 -1.425 -19.376 -0.433 1.00 0.00 H new ATOM 0 HB2 SER B 14 -1.681 -21.237 1.160 1.00 0.00 H new ATOM 0 HB3 SER B 14 -1.694 -19.755 2.096 1.00 0.00 H new ATOM 0 HG SER B 14 -3.562 -21.108 2.569 1.00 0.00 H new ATOM 1393 N LYS B 15 -3.908 -19.525 -1.827 1.00 0.00 N ATOM 1394 CA LYS B 15 -4.829 -20.168 -2.810 1.00 0.00 C ATOM 1395 C LYS B 15 -4.665 -19.487 -4.203 1.00 0.00 C ATOM 1396 O LYS B 15 -5.161 -18.397 -4.409 1.00 0.00 O ATOM 1397 CB LYS B 15 -6.270 -19.982 -2.326 1.00 0.00 C ATOM 1398 CG LYS B 15 -7.057 -21.272 -2.586 1.00 0.00 C ATOM 1399 CD LYS B 15 -8.529 -21.066 -2.196 1.00 0.00 C ATOM 1400 CE LYS B 15 -8.709 -21.367 -0.705 1.00 0.00 C ATOM 1401 NZ LYS B 15 -9.098 -22.792 -0.505 1.00 0.00 N ATOM 0 H LYS B 15 -3.787 -18.518 -1.936 1.00 0.00 H new ATOM 0 HA LYS B 15 -4.594 -21.229 -2.897 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.282 -19.742 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -6.736 -19.146 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -6.984 -21.548 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -6.629 -22.093 -2.010 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -8.833 -20.042 -2.410 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -9.168 -21.719 -2.790 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -7.782 -21.158 -0.171 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -9.473 -20.713 -0.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -9.216 -22.980 0.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -9.994 -22.980 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.356 -23.412 -0.888 1.00 0.00 H new ATOM 1415 N PRO B 16 -3.960 -20.132 -5.141 1.00 0.00 N ATOM 1416 CA PRO B 16 -3.750 -19.537 -6.470 1.00 0.00 C ATOM 1417 C PRO B 16 -5.081 -19.252 -7.176 1.00 0.00 C ATOM 1418 O PRO B 16 -6.022 -20.014 -7.068 1.00 0.00 O ATOM 1419 CB PRO B 16 -2.930 -20.567 -7.254 1.00 0.00 C ATOM 1420 CG PRO B 16 -2.564 -21.715 -6.267 1.00 0.00 C ATOM 1421 CD PRO B 16 -3.334 -21.460 -4.961 1.00 0.00 C ATOM 0 HA PRO B 16 -3.238 -18.578 -6.396 1.00 0.00 H new ATOM 0 HB2 PRO B 16 -3.503 -20.953 -8.097 1.00 0.00 H new ATOM 0 HB3 PRO B 16 -2.029 -20.110 -7.663 1.00 0.00 H new ATOM 0 HG2 PRO B 16 -2.833 -22.684 -6.688 1.00 0.00 H new ATOM 0 HG3 PRO B 16 -1.490 -21.735 -6.082 1.00 0.00 H new ATOM 0 HD2 PRO B 16 -4.085 -22.231 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO B 16 -2.665 -21.468 -4.100 1.00 0.00 H new ATOM 1429 N PHE B 17 -5.123 -18.151 -7.886 1.00 0.00 N ATOM 1430 CA PHE B 17 -6.376 -17.784 -8.613 1.00 0.00 C ATOM 1431 C PHE B 17 -6.044 -17.240 -10.010 1.00 0.00 C ATOM 1432 O PHE B 17 -4.930 -17.360 -10.481 1.00 0.00 O ATOM 1433 CB PHE B 17 -7.130 -16.720 -7.814 1.00 0.00 C ATOM 1434 CG PHE B 17 -6.194 -15.548 -7.517 1.00 0.00 C ATOM 1435 CD1 PHE B 17 -6.085 -14.492 -8.406 1.00 0.00 C ATOM 1436 CD2 PHE B 17 -5.441 -15.530 -6.357 1.00 0.00 C ATOM 1437 CE1 PHE B 17 -5.241 -13.441 -8.138 1.00 0.00 C ATOM 1438 CE2 PHE B 17 -4.596 -14.472 -6.092 1.00 0.00 C ATOM 1439 CZ PHE B 17 -4.496 -13.429 -6.983 1.00 0.00 C ATOM 0 H PHE B 17 -4.349 -17.495 -7.993 1.00 0.00 H new ATOM 0 HA PHE B 17 -6.997 -18.673 -8.723 1.00 0.00 H new ATOM 0 HB2 PHE B 17 -7.997 -16.374 -8.377 1.00 0.00 H new ATOM 0 HB3 PHE B 17 -7.504 -17.146 -6.883 1.00 0.00 H new ATOM 0 HD1 PHE B 17 -6.667 -14.494 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE B 17 -5.515 -16.348 -5.655 1.00 0.00 H new ATOM 0 HE1 PHE B 17 -5.163 -12.622 -8.837 1.00 0.00 H new ATOM 0 HE2 PHE B 17 -4.012 -14.463 -5.183 1.00 0.00 H new ATOM 0 HZ PHE B 17 -3.833 -12.602 -6.775 1.00 0.00 H new ATOM 1449 N HIS B 18 -7.031 -16.653 -10.635 1.00 0.00 N ATOM 1450 CA HIS B 18 -6.832 -16.099 -12.015 1.00 0.00 C ATOM 1451 C HIS B 18 -7.003 -14.550 -11.997 1.00 0.00 C ATOM 1452 O HIS B 18 -7.861 -14.046 -11.299 1.00 0.00 O ATOM 1453 CB HIS B 18 -7.913 -16.714 -12.903 1.00 0.00 C ATOM 1454 CG HIS B 18 -7.610 -16.424 -14.359 1.00 0.00 C ATOM 1455 ND1 HIS B 18 -7.793 -15.256 -14.943 1.00 0.00 N ATOM 1456 CD2 HIS B 18 -7.104 -17.271 -15.334 1.00 0.00 C ATOM 1457 CE1 HIS B 18 -7.439 -15.357 -16.180 1.00 0.00 C ATOM 1458 NE2 HIS B 18 -7.032 -16.549 -16.409 1.00 0.00 N ATOM 0 H HIS B 18 -7.969 -16.531 -10.252 1.00 0.00 H new ATOM 0 HA HIS B 18 -5.833 -16.333 -12.383 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -7.961 -17.791 -12.740 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.889 -16.308 -12.638 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -6.829 -18.309 -15.222 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -7.480 -14.560 -16.908 1.00 0.00 H new ATOM 0 HE2 HIS B 18 -6.697 -16.885 -17.312 1.00 0.00 H new ATOM 1466 N PRO B 19 -6.189 -13.809 -12.766 1.00 0.00 N ATOM 1467 CA PRO B 19 -6.313 -12.343 -12.803 1.00 0.00 C ATOM 1468 C PRO B 19 -7.740 -11.915 -13.191 1.00 0.00 C ATOM 1469 O PRO B 19 -8.096 -10.760 -13.067 1.00 0.00 O ATOM 1470 CB PRO B 19 -5.308 -11.873 -13.860 1.00 0.00 C ATOM 1471 CG PRO B 19 -4.561 -13.131 -14.389 1.00 0.00 C ATOM 1472 CD PRO B 19 -5.103 -14.348 -13.617 1.00 0.00 C ATOM 0 HA PRO B 19 -6.114 -11.904 -11.825 1.00 0.00 H new ATOM 0 HB2 PRO B 19 -5.820 -11.361 -14.675 1.00 0.00 H new ATOM 0 HB3 PRO B 19 -4.603 -11.162 -13.429 1.00 0.00 H new ATOM 0 HG2 PRO B 19 -4.724 -13.252 -15.460 1.00 0.00 H new ATOM 0 HG3 PRO B 19 -3.486 -13.030 -14.240 1.00 0.00 H new ATOM 0 HD2 PRO B 19 -5.477 -15.112 -14.298 1.00 0.00 H new ATOM 0 HD3 PRO B 19 -4.323 -14.813 -13.014 1.00 0.00 H new ATOM 1480 N LYS B 20 -8.520 -12.852 -13.656 1.00 0.00 N ATOM 1481 CA LYS B 20 -9.925 -12.514 -14.048 1.00 0.00 C ATOM 1482 C LYS B 20 -10.628 -11.787 -12.896 1.00 0.00 C ATOM 1483 O LYS B 20 -11.491 -10.961 -13.110 1.00 0.00 O ATOM 1484 CB LYS B 20 -10.676 -13.807 -14.355 1.00 0.00 C ATOM 1485 CG LYS B 20 -11.569 -13.630 -15.593 1.00 0.00 C ATOM 1486 CD LYS B 20 -12.161 -14.997 -15.986 1.00 0.00 C ATOM 1487 CE LYS B 20 -13.268 -15.404 -14.999 1.00 0.00 C ATOM 1488 NZ LYS B 20 -14.558 -15.598 -15.719 1.00 0.00 N ATOM 0 H LYS B 20 -8.253 -13.828 -13.782 1.00 0.00 H new ATOM 0 HA LYS B 20 -9.912 -11.867 -14.925 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -9.965 -14.616 -14.525 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -11.285 -14.093 -13.498 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -12.369 -12.920 -15.381 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.989 -13.220 -16.420 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -12.566 -14.948 -16.997 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -11.375 -15.752 -15.993 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -12.988 -16.325 -14.487 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -13.383 -14.636 -14.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -15.297 -15.873 -15.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -14.831 -14.711 -16.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -14.448 -16.347 -16.433 1.00 0.00 H new ATOM 1502 N PHE B 21 -10.234 -12.117 -11.698 1.00 0.00 N ATOM 1503 CA PHE B 21 -10.860 -11.470 -10.506 1.00 0.00 C ATOM 1504 C PHE B 21 -10.082 -10.212 -10.103 1.00 0.00 C ATOM 1505 O PHE B 21 -10.536 -9.427 -9.293 1.00 0.00 O ATOM 1506 CB PHE B 21 -10.836 -12.465 -9.348 1.00 0.00 C ATOM 1507 CG PHE B 21 -11.700 -13.674 -9.706 1.00 0.00 C ATOM 1508 CD1 PHE B 21 -13.080 -13.578 -9.712 1.00 0.00 C ATOM 1509 CD2 PHE B 21 -11.110 -14.884 -10.031 1.00 0.00 C ATOM 1510 CE1 PHE B 21 -13.855 -14.672 -10.035 1.00 0.00 C ATOM 1511 CE2 PHE B 21 -11.888 -15.977 -10.355 1.00 0.00 C ATOM 1512 CZ PHE B 21 -13.260 -15.870 -10.358 1.00 0.00 C ATOM 0 H PHE B 21 -9.509 -12.804 -11.491 1.00 0.00 H new ATOM 0 HA PHE B 21 -11.883 -11.183 -10.748 1.00 0.00 H new ATOM 0 HB2 PHE B 21 -9.813 -12.781 -9.146 1.00 0.00 H new ATOM 0 HB3 PHE B 21 -11.209 -11.993 -8.439 1.00 0.00 H new ATOM 0 HD1 PHE B 21 -13.554 -12.640 -9.462 1.00 0.00 H new ATOM 0 HD2 PHE B 21 -10.034 -14.973 -10.031 1.00 0.00 H new ATOM 0 HE1 PHE B 21 -14.932 -14.588 -10.034 1.00 0.00 H new ATOM 0 HE2 PHE B 21 -11.420 -16.917 -10.606 1.00 0.00 H new ATOM 0 HZ PHE B 21 -13.869 -16.725 -10.613 1.00 0.00 H new ATOM 1522 N ILE B 22 -8.928 -10.048 -10.681 1.00 0.00 N ATOM 1523 CA ILE B 22 -8.091 -8.860 -10.338 1.00 0.00 C ATOM 1524 C ILE B 22 -8.382 -7.703 -11.297 1.00 0.00 C ATOM 1525 O ILE B 22 -8.353 -7.866 -12.501 1.00 0.00 O ATOM 1526 CB ILE B 22 -6.592 -9.240 -10.443 1.00 0.00 C ATOM 1527 CG1 ILE B 22 -6.193 -10.290 -9.360 1.00 0.00 C ATOM 1528 CG2 ILE B 22 -5.742 -7.974 -10.270 1.00 0.00 C ATOM 1529 CD1 ILE B 22 -7.034 -10.937 -8.252 1.00 0.00 C ATOM 0 H ILE B 22 -8.526 -10.680 -11.374 1.00 0.00 H new ATOM 0 HA ILE B 22 -8.329 -8.547 -9.322 1.00 0.00 H new ATOM 0 HB ILE B 22 -6.416 -9.685 -11.422 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -5.796 -11.131 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -5.353 -9.835 -8.835 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -4.686 -8.232 -10.342 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -5.995 -7.257 -11.051 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -5.941 -7.533 -9.294 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -6.414 -11.630 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -7.418 -10.163 -7.588 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.868 -11.479 -8.698 1.00 0.00 H new ATOM 1541 N LYS B 23 -8.658 -6.558 -10.724 1.00 0.00 N ATOM 1542 CA LYS B 23 -8.942 -5.355 -11.546 1.00 0.00 C ATOM 1543 C LYS B 23 -7.932 -4.257 -11.217 1.00 0.00 C ATOM 1544 O LYS B 23 -7.657 -3.400 -12.034 1.00 0.00 O ATOM 1545 CB LYS B 23 -10.349 -4.849 -11.237 1.00 0.00 C ATOM 1546 CG LYS B 23 -11.371 -5.685 -12.011 1.00 0.00 C ATOM 1547 CD LYS B 23 -11.624 -5.049 -13.381 1.00 0.00 C ATOM 1548 CE LYS B 23 -12.698 -5.855 -14.115 1.00 0.00 C ATOM 1549 NZ LYS B 23 -12.315 -6.058 -15.540 1.00 0.00 N ATOM 0 H LYS B 23 -8.698 -6.410 -9.716 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.867 -5.616 -12.602 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.544 -4.915 -10.167 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -10.438 -3.798 -11.513 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -11.004 -6.704 -12.134 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -12.304 -5.748 -11.450 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -11.946 -4.014 -13.262 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -10.703 -5.031 -13.964 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -12.833 -6.821 -13.628 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -13.654 -5.334 -14.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -13.055 -6.607 -16.023 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.209 -5.134 -16.006 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.414 -6.575 -15.587 1.00 0.00 H new ATOM 1563 N GLU B 24 -7.400 -4.308 -10.019 1.00 0.00 N ATOM 1564 CA GLU B 24 -6.400 -3.268 -9.612 1.00 0.00 C ATOM 1565 C GLU B 24 -5.211 -3.917 -8.890 1.00 0.00 C ATOM 1566 O GLU B 24 -5.390 -4.746 -8.020 1.00 0.00 O ATOM 1567 CB GLU B 24 -7.073 -2.265 -8.680 1.00 0.00 C ATOM 1568 CG GLU B 24 -5.998 -1.470 -7.937 1.00 0.00 C ATOM 1569 CD GLU B 24 -6.599 -0.160 -7.421 1.00 0.00 C ATOM 1570 OE1 GLU B 24 -7.646 -0.253 -6.802 1.00 0.00 O ATOM 1571 OE2 GLU B 24 -5.977 0.857 -7.676 1.00 0.00 O ATOM 0 H GLU B 24 -7.610 -5.014 -9.313 1.00 0.00 H new ATOM 0 HA GLU B 24 -6.032 -2.762 -10.505 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -7.711 -1.591 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -7.715 -2.785 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -5.607 -2.056 -7.105 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -5.160 -1.261 -8.602 1.00 0.00 H new ATOM 1578 N LEU B 25 -4.023 -3.517 -9.273 1.00 0.00 N ATOM 1579 CA LEU B 25 -2.801 -4.085 -8.628 1.00 0.00 C ATOM 1580 C LEU B 25 -2.132 -3.027 -7.744 1.00 0.00 C ATOM 1581 O LEU B 25 -2.202 -1.847 -8.026 1.00 0.00 O ATOM 1582 CB LEU B 25 -1.821 -4.526 -9.715 1.00 0.00 C ATOM 1583 CG LEU B 25 -0.804 -5.499 -9.115 1.00 0.00 C ATOM 1584 CD1 LEU B 25 -1.312 -6.932 -9.292 1.00 0.00 C ATOM 1585 CD2 LEU B 25 0.531 -5.345 -9.846 1.00 0.00 C ATOM 0 H LEU B 25 -3.848 -2.825 -10.001 1.00 0.00 H new ATOM 0 HA LEU B 25 -3.084 -4.938 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -2.359 -5.004 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -1.309 -3.659 -10.133 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.671 -5.284 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.590 -7.629 -8.866 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.269 -7.044 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.439 -7.145 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.260 -6.036 -9.422 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.394 -5.566 -10.904 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.892 -4.323 -9.733 1.00 0.00 H new ATOM 1597 N ARG B 26 -1.495 -3.472 -6.693 1.00 0.00 N ATOM 1598 CA ARG B 26 -0.819 -2.502 -5.782 1.00 0.00 C ATOM 1599 C ARG B 26 0.483 -3.102 -5.241 1.00 0.00 C ATOM 1600 O ARG B 26 0.476 -4.159 -4.641 1.00 0.00 O ATOM 1601 CB ARG B 26 -1.749 -2.179 -4.622 1.00 0.00 C ATOM 1602 CG ARG B 26 -2.515 -0.889 -4.927 1.00 0.00 C ATOM 1603 CD ARG B 26 -3.774 -0.831 -4.057 1.00 0.00 C ATOM 1604 NE ARG B 26 -3.371 -0.788 -2.623 1.00 0.00 N ATOM 1605 CZ ARG B 26 -4.113 -0.137 -1.770 1.00 0.00 C ATOM 1606 NH1 ARG B 26 -5.408 -0.291 -1.815 1.00 0.00 N ATOM 1607 NH2 ARG B 26 -3.535 0.646 -0.901 1.00 0.00 N ATOM 0 H ARG B 26 -1.414 -4.454 -6.428 1.00 0.00 H new ATOM 0 HA ARG B 26 -0.584 -1.593 -6.336 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -2.448 -3.000 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -1.175 -2.065 -3.702 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -1.883 -0.022 -4.731 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -2.786 -0.854 -5.982 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -4.365 0.050 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -4.402 -1.701 -4.246 1.00 0.00 H new ATOM 0 HE ARG B 26 -2.524 -1.263 -2.312 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -5.824 -0.912 -2.509 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.004 0.210 -1.156 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -2.519 0.741 -0.896 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -4.099 1.163 -0.226 1.00 0.00 H new ATOM 1621 N VAL B 27 1.573 -2.410 -5.470 1.00 0.00 N ATOM 1622 CA VAL B 27 2.896 -2.913 -4.978 1.00 0.00 C ATOM 1623 C VAL B 27 3.553 -1.867 -4.073 1.00 0.00 C ATOM 1624 O VAL B 27 3.769 -0.742 -4.481 1.00 0.00 O ATOM 1625 CB VAL B 27 3.804 -3.189 -6.176 1.00 0.00 C ATOM 1626 CG1 VAL B 27 5.077 -3.886 -5.692 1.00 0.00 C ATOM 1627 CG2 VAL B 27 3.074 -4.102 -7.162 1.00 0.00 C ATOM 0 H VAL B 27 1.605 -1.523 -5.973 1.00 0.00 H new ATOM 0 HA VAL B 27 2.743 -3.829 -4.408 1.00 0.00 H new ATOM 0 HB VAL B 27 4.062 -2.250 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL B 27 5.729 -4.085 -6.543 1.00 0.00 H new ATOM 0 HG12 VAL B 27 5.596 -3.243 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL B 27 4.815 -4.827 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL B 27 3.718 -4.302 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL B 27 2.823 -5.042 -6.670 1.00 0.00 H new ATOM 0 HG23 VAL B 27 2.160 -3.614 -7.501 1.00 0.00 H new ATOM 1637 N ILE B 28 3.857 -2.268 -2.863 1.00 0.00 N ATOM 1638 CA ILE B 28 4.500 -1.317 -1.900 1.00 0.00 C ATOM 1639 C ILE B 28 5.896 -1.819 -1.513 1.00 0.00 C ATOM 1640 O ILE B 28 6.044 -2.886 -0.952 1.00 0.00 O ATOM 1641 CB ILE B 28 3.622 -1.215 -0.649 1.00 0.00 C ATOM 1642 CG1 ILE B 28 2.320 -0.488 -1.017 1.00 0.00 C ATOM 1643 CG2 ILE B 28 4.364 -0.423 0.433 1.00 0.00 C ATOM 1644 CD1 ILE B 28 1.330 -0.568 0.153 1.00 0.00 C ATOM 0 H ILE B 28 3.689 -3.207 -2.501 1.00 0.00 H new ATOM 0 HA ILE B 28 4.600 -0.337 -2.367 1.00 0.00 H new ATOM 0 HB ILE B 28 3.396 -2.212 -0.271 1.00 0.00 H new ATOM 0 HG12 ILE B 28 2.530 0.554 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE B 28 1.881 -0.938 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE B 28 3.739 -0.350 1.323 1.00 0.00 H new ATOM 0 HG22 ILE B 28 5.295 -0.933 0.683 1.00 0.00 H new ATOM 0 HG23 ILE B 28 4.587 0.578 0.063 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.409 -0.051 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE B 28 1.109 -1.613 0.372 1.00 0.00 H new ATOM 0 HD13 ILE B 28 1.768 -0.098 1.033 1.00 0.00 H new ATOM 1656 N GLU B 29 6.890 -1.033 -1.826 1.00 0.00 N ATOM 1657 CA GLU B 29 8.288 -1.440 -1.492 1.00 0.00 C ATOM 1658 C GLU B 29 8.571 -1.191 -0.006 1.00 0.00 C ATOM 1659 O GLU B 29 7.833 -0.494 0.660 1.00 0.00 O ATOM 1660 CB GLU B 29 9.256 -0.616 -2.345 1.00 0.00 C ATOM 1661 CG GLU B 29 10.693 -0.902 -1.902 1.00 0.00 C ATOM 1662 CD GLU B 29 11.661 -0.440 -2.993 1.00 0.00 C ATOM 1663 OE1 GLU B 29 11.174 0.173 -3.928 1.00 0.00 O ATOM 1664 OE2 GLU B 29 12.836 -0.728 -2.829 1.00 0.00 O ATOM 0 H GLU B 29 6.798 -0.132 -2.295 1.00 0.00 H new ATOM 0 HA GLU B 29 8.418 -2.502 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU B 29 9.132 -0.865 -3.399 1.00 0.00 H new ATOM 0 HB3 GLU B 29 9.036 0.446 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU B 29 10.907 -0.384 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU B 29 10.822 -1.968 -1.713 1.00 0.00 H new ATOM 1671 N SER B 30 9.637 -1.778 0.479 1.00 0.00 N ATOM 1672 CA SER B 30 10.000 -1.590 1.919 1.00 0.00 C ATOM 1673 C SER B 30 9.782 -0.133 2.340 1.00 0.00 C ATOM 1674 O SER B 30 10.329 0.774 1.743 1.00 0.00 O ATOM 1675 CB SER B 30 11.473 -1.954 2.110 1.00 0.00 C ATOM 1676 OG SER B 30 12.129 -1.329 1.016 1.00 0.00 O ATOM 0 H SER B 30 10.268 -2.375 -0.055 1.00 0.00 H new ATOM 0 HA SER B 30 9.368 -2.232 2.533 1.00 0.00 H new ATOM 0 HB2 SER B 30 11.853 -1.589 3.064 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.621 -3.034 2.100 1.00 0.00 H new ATOM 0 HG SER B 30 11.842 -0.394 0.953 1.00 0.00 H new ATOM 1682 N GLY B 31 8.983 0.053 3.362 1.00 0.00 N ATOM 1683 CA GLY B 31 8.705 1.439 3.851 1.00 0.00 C ATOM 1684 C GLY B 31 9.086 1.559 5.334 1.00 0.00 C ATOM 1685 O GLY B 31 9.662 0.654 5.906 1.00 0.00 O ATOM 0 H GLY B 31 8.513 -0.692 3.877 1.00 0.00 H new ATOM 0 HA2 GLY B 31 9.270 2.161 3.262 1.00 0.00 H new ATOM 0 HA3 GLY B 31 7.649 1.676 3.718 1.00 0.00 H new ATOM 1689 N PRO B 32 8.753 2.686 5.925 1.00 0.00 N ATOM 1690 CA PRO B 32 9.059 2.935 7.339 1.00 0.00 C ATOM 1691 C PRO B 32 8.280 1.960 8.225 1.00 0.00 C ATOM 1692 O PRO B 32 8.390 1.983 9.434 1.00 0.00 O ATOM 1693 CB PRO B 32 8.607 4.379 7.599 1.00 0.00 C ATOM 1694 CG PRO B 32 8.007 4.925 6.265 1.00 0.00 C ATOM 1695 CD PRO B 32 8.054 3.781 5.237 1.00 0.00 C ATOM 0 HA PRO B 32 10.116 2.795 7.564 1.00 0.00 H new ATOM 0 HB2 PRO B 32 7.864 4.412 8.396 1.00 0.00 H new ATOM 0 HB3 PRO B 32 9.448 4.993 7.922 1.00 0.00 H new ATOM 0 HG2 PRO B 32 6.982 5.264 6.416 1.00 0.00 H new ATOM 0 HG3 PRO B 32 8.578 5.783 5.910 1.00 0.00 H new ATOM 0 HD2 PRO B 32 7.051 3.481 4.933 1.00 0.00 H new ATOM 0 HD3 PRO B 32 8.584 4.083 4.334 1.00 0.00 H new ATOM 1703 N HIS B 33 7.509 1.124 7.584 1.00 0.00 N ATOM 1704 CA HIS B 33 6.694 0.122 8.334 1.00 0.00 C ATOM 1705 C HIS B 33 7.086 -1.291 7.901 1.00 0.00 C ATOM 1706 O HIS B 33 6.842 -2.251 8.606 1.00 0.00 O ATOM 1707 CB HIS B 33 5.226 0.355 8.007 1.00 0.00 C ATOM 1708 CG HIS B 33 4.980 -0.039 6.550 1.00 0.00 C ATOM 1709 ND1 HIS B 33 5.682 0.370 5.541 1.00 0.00 N ATOM 1710 CD2 HIS B 33 4.021 -0.893 6.008 1.00 0.00 C ATOM 1711 CE1 HIS B 33 5.254 -0.143 4.449 1.00 0.00 C ATOM 1712 NE2 HIS B 33 4.241 -0.919 4.703 1.00 0.00 N ATOM 0 H HIS B 33 7.407 1.091 6.570 1.00 0.00 H new ATOM 0 HA HIS B 33 6.868 0.229 9.405 1.00 0.00 H new ATOM 0 HB2 HIS B 33 4.593 -0.235 8.670 1.00 0.00 H new ATOM 0 HB3 HIS B 33 4.965 1.402 8.165 1.00 0.00 H new ATOM 0 HD2 HIS B 33 3.252 -1.427 6.546 1.00 0.00 H new ATOM 0 HE1 HIS B 33 5.669 0.040 3.469 1.00 0.00 H new ATOM 0 HE2 HIS B 33 3.709 -1.454 4.016 1.00 0.00 H new ATOM 1720 N CYS B 34 7.688 -1.382 6.744 1.00 0.00 N ATOM 1721 CA CYS B 34 8.106 -2.718 6.229 1.00 0.00 C ATOM 1722 C CYS B 34 9.513 -2.636 5.628 1.00 0.00 C ATOM 1723 O CYS B 34 9.804 -1.757 4.841 1.00 0.00 O ATOM 1724 CB CYS B 34 7.115 -3.165 5.155 1.00 0.00 C ATOM 1725 SG CYS B 34 6.860 -4.945 4.956 1.00 0.00 S ATOM 0 H CYS B 34 7.907 -0.593 6.136 1.00 0.00 H new ATOM 0 HA CYS B 34 8.117 -3.436 7.049 1.00 0.00 H new ATOM 0 HB2 CYS B 34 6.150 -2.708 5.374 1.00 0.00 H new ATOM 0 HB3 CYS B 34 7.449 -2.762 4.199 1.00 0.00 H new ATOM 1730 N ALA B 35 10.355 -3.558 6.013 1.00 0.00 N ATOM 1731 CA ALA B 35 11.748 -3.552 5.480 1.00 0.00 C ATOM 1732 C ALA B 35 11.876 -4.533 4.309 1.00 0.00 C ATOM 1733 O ALA B 35 12.953 -5.014 4.015 1.00 0.00 O ATOM 1734 CB ALA B 35 12.709 -3.962 6.595 1.00 0.00 C ATOM 0 H ALA B 35 10.141 -4.310 6.668 1.00 0.00 H new ATOM 0 HA ALA B 35 11.991 -2.550 5.125 1.00 0.00 H new ATOM 0 HB1 ALA B 35 13.730 -3.960 6.214 1.00 0.00 H new ATOM 0 HB2 ALA B 35 12.629 -3.256 7.422 1.00 0.00 H new ATOM 0 HB3 ALA B 35 12.454 -4.962 6.946 1.00 0.00 H new ATOM 1740 N ASN B 36 10.771 -4.806 3.666 1.00 0.00 N ATOM 1741 CA ASN B 36 10.804 -5.760 2.513 1.00 0.00 C ATOM 1742 C ASN B 36 9.893 -5.271 1.387 1.00 0.00 C ATOM 1743 O ASN B 36 9.712 -4.092 1.195 1.00 0.00 O ATOM 1744 CB ASN B 36 10.330 -7.133 2.992 1.00 0.00 C ATOM 1745 CG ASN B 36 11.132 -7.542 4.229 1.00 0.00 C ATOM 1746 OD1 ASN B 36 12.311 -7.267 4.339 1.00 0.00 O ATOM 1747 ND2 ASN B 36 10.533 -8.203 5.183 1.00 0.00 N ATOM 0 H ASN B 36 9.855 -4.415 3.885 1.00 0.00 H new ATOM 0 HA ASN B 36 11.823 -5.825 2.132 1.00 0.00 H new ATOM 0 HB2 ASN B 36 9.266 -7.101 3.228 1.00 0.00 H new ATOM 0 HB3 ASN B 36 10.459 -7.871 2.201 1.00 0.00 H new ATOM 0 HD21 ASN B 36 11.054 -8.485 6.013 1.00 0.00 H new ATOM 0 HD22 ASN B 36 9.544 -8.437 5.098 1.00 0.00 H new ATOM 1754 N THR B 37 9.358 -6.203 0.665 1.00 0.00 N ATOM 1755 CA THR B 37 8.443 -5.846 -0.464 1.00 0.00 C ATOM 1756 C THR B 37 7.150 -6.664 -0.367 1.00 0.00 C ATOM 1757 O THR B 37 7.178 -7.832 -0.035 1.00 0.00 O ATOM 1758 CB THR B 37 9.151 -6.141 -1.788 1.00 0.00 C ATOM 1759 OG1 THR B 37 9.561 -4.865 -2.267 1.00 0.00 O ATOM 1760 CG2 THR B 37 8.194 -6.681 -2.851 1.00 0.00 C ATOM 0 H THR B 37 9.509 -7.203 0.801 1.00 0.00 H new ATOM 0 HA THR B 37 8.190 -4.787 -0.412 1.00 0.00 H new ATOM 0 HB THR B 37 9.944 -6.870 -1.623 1.00 0.00 H new ATOM 0 HG1 THR B 37 10.477 -4.923 -2.609 1.00 0.00 H new ATOM 0 HG21 THR B 37 8.745 -6.875 -3.772 1.00 0.00 H new ATOM 0 HG22 THR B 37 7.742 -7.608 -2.497 1.00 0.00 H new ATOM 0 HG23 THR B 37 7.412 -5.946 -3.043 1.00 0.00 H new ATOM 1768 N GLU B 38 6.046 -6.026 -0.654 1.00 0.00 N ATOM 1769 CA GLU B 38 4.736 -6.745 -0.583 1.00 0.00 C ATOM 1770 C GLU B 38 3.867 -6.380 -1.790 1.00 0.00 C ATOM 1771 O GLU B 38 3.682 -5.219 -2.096 1.00 0.00 O ATOM 1772 CB GLU B 38 4.018 -6.343 0.703 1.00 0.00 C ATOM 1773 CG GLU B 38 5.051 -6.155 1.817 1.00 0.00 C ATOM 1774 CD GLU B 38 4.337 -6.101 3.168 1.00 0.00 C ATOM 1775 OE1 GLU B 38 3.500 -5.224 3.303 1.00 0.00 O ATOM 1776 OE2 GLU B 38 4.669 -6.940 3.989 1.00 0.00 O ATOM 0 H GLU B 38 5.992 -5.046 -0.932 1.00 0.00 H new ATOM 0 HA GLU B 38 4.913 -7.820 -0.590 1.00 0.00 H new ATOM 0 HB2 GLU B 38 3.459 -5.420 0.549 1.00 0.00 H new ATOM 0 HB3 GLU B 38 3.296 -7.109 0.985 1.00 0.00 H new ATOM 0 HG2 GLU B 38 5.768 -6.976 1.805 1.00 0.00 H new ATOM 0 HG3 GLU B 38 5.615 -5.236 1.654 1.00 0.00 H new ATOM 1783 N ILE B 39 3.351 -7.385 -2.448 1.00 0.00 N ATOM 1784 CA ILE B 39 2.491 -7.121 -3.640 1.00 0.00 C ATOM 1785 C ILE B 39 1.009 -7.213 -3.260 1.00 0.00 C ATOM 1786 O ILE B 39 0.468 -8.292 -3.116 1.00 0.00 O ATOM 1787 CB ILE B 39 2.805 -8.159 -4.720 1.00 0.00 C ATOM 1788 CG1 ILE B 39 4.164 -7.824 -5.354 1.00 0.00 C ATOM 1789 CG2 ILE B 39 1.713 -8.112 -5.794 1.00 0.00 C ATOM 1790 CD1 ILE B 39 4.617 -8.978 -6.263 1.00 0.00 C ATOM 0 H ILE B 39 3.486 -8.369 -2.215 1.00 0.00 H new ATOM 0 HA ILE B 39 2.695 -6.117 -4.013 1.00 0.00 H new ATOM 0 HB ILE B 39 2.841 -9.156 -4.281 1.00 0.00 H new ATOM 0 HG12 ILE B 39 4.088 -6.903 -5.932 1.00 0.00 H new ATOM 0 HG13 ILE B 39 4.906 -7.651 -4.574 1.00 0.00 H new ATOM 0 HG21 ILE B 39 1.931 -8.849 -6.567 1.00 0.00 H new ATOM 0 HG22 ILE B 39 0.747 -8.336 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE B 39 1.683 -7.118 -6.239 1.00 0.00 H new ATOM 0 HD11 ILE B 39 5.581 -8.733 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE B 39 4.711 -9.890 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE B 39 3.881 -9.130 -7.052 1.00 0.00 H new ATOM 1802 N ILE B 40 0.386 -6.077 -3.105 1.00 0.00 N ATOM 1803 CA ILE B 40 -1.061 -6.078 -2.740 1.00 0.00 C ATOM 1804 C ILE B 40 -1.920 -6.085 -4.008 1.00 0.00 C ATOM 1805 O ILE B 40 -1.449 -5.758 -5.080 1.00 0.00 O ATOM 1806 CB ILE B 40 -1.369 -4.825 -1.918 1.00 0.00 C ATOM 1807 CG1 ILE B 40 -0.761 -4.984 -0.526 1.00 0.00 C ATOM 1808 CG2 ILE B 40 -2.884 -4.654 -1.791 1.00 0.00 C ATOM 1809 CD1 ILE B 40 -0.365 -3.607 0.011 1.00 0.00 C ATOM 0 H ILE B 40 0.810 -5.156 -3.214 1.00 0.00 H new ATOM 0 HA ILE B 40 -1.288 -6.969 -2.155 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.947 -3.949 -2.411 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -1.478 -5.457 0.145 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.112 -5.635 -0.570 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -3.102 -3.761 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -3.323 -4.553 -2.783 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -3.308 -5.526 -1.294 1.00 0.00 H new ATOM 0 HD11 ILE B 40 0.070 -3.715 1.005 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.366 -3.152 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -1.248 -2.971 0.069 1.00 0.00 H new ATOM 1821 N VAL B 41 -3.161 -6.456 -3.863 1.00 0.00 N ATOM 1822 CA VAL B 41 -4.053 -6.494 -5.056 1.00 0.00 C ATOM 1823 C VAL B 41 -5.505 -6.195 -4.651 1.00 0.00 C ATOM 1824 O VAL B 41 -5.862 -6.314 -3.496 1.00 0.00 O ATOM 1825 CB VAL B 41 -3.963 -7.884 -5.690 1.00 0.00 C ATOM 1826 CG1 VAL B 41 -4.401 -8.940 -4.668 1.00 0.00 C ATOM 1827 CG2 VAL B 41 -4.879 -7.946 -6.912 1.00 0.00 C ATOM 0 H VAL B 41 -3.593 -6.732 -2.981 1.00 0.00 H new ATOM 0 HA VAL B 41 -3.736 -5.736 -5.772 1.00 0.00 H new ATOM 0 HB VAL B 41 -2.935 -8.079 -5.996 1.00 0.00 H new ATOM 0 HG11 VAL B 41 -4.337 -9.931 -5.118 1.00 0.00 H new ATOM 0 HG12 VAL B 41 -3.748 -8.895 -3.796 1.00 0.00 H new ATOM 0 HG13 VAL B 41 -5.429 -8.746 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL B 41 -4.816 -8.936 -7.364 1.00 0.00 H new ATOM 0 HG22 VAL B 41 -5.907 -7.752 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL B 41 -4.568 -7.195 -7.638 1.00 0.00 H new ATOM 1837 N LYS B 42 -6.307 -5.809 -5.619 1.00 0.00 N ATOM 1838 CA LYS B 42 -7.742 -5.495 -5.315 1.00 0.00 C ATOM 1839 C LYS B 42 -8.672 -6.241 -6.279 1.00 0.00 C ATOM 1840 O LYS B 42 -8.491 -6.198 -7.485 1.00 0.00 O ATOM 1841 CB LYS B 42 -7.971 -3.991 -5.453 1.00 0.00 C ATOM 1842 CG LYS B 42 -8.353 -3.416 -4.085 1.00 0.00 C ATOM 1843 CD LYS B 42 -8.626 -1.916 -4.221 1.00 0.00 C ATOM 1844 CE LYS B 42 -9.902 -1.568 -3.453 1.00 0.00 C ATOM 1845 NZ LYS B 42 -10.182 -0.107 -3.540 1.00 0.00 N ATOM 0 H LYS B 42 -6.034 -5.699 -6.595 1.00 0.00 H new ATOM 0 HA LYS B 42 -7.963 -5.814 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -7.069 -3.506 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -8.762 -3.796 -6.177 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -9.237 -3.924 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -7.549 -3.587 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -7.784 -1.344 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -8.734 -1.647 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -10.743 -2.130 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -9.797 -1.862 -2.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -11.052 0.112 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -9.387 0.424 -3.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -10.303 0.164 -4.537 1.00 0.00 H new ATOM 1859 N LEU B 43 -9.653 -6.904 -5.721 1.00 0.00 N ATOM 1860 CA LEU B 43 -10.613 -7.670 -6.572 1.00 0.00 C ATOM 1861 C LEU B 43 -11.828 -6.805 -6.922 1.00 0.00 C ATOM 1862 O LEU B 43 -12.271 -5.999 -6.126 1.00 0.00 O ATOM 1863 CB LEU B 43 -11.082 -8.906 -5.807 1.00 0.00 C ATOM 1864 CG LEU B 43 -10.006 -9.985 -5.885 1.00 0.00 C ATOM 1865 CD1 LEU B 43 -8.689 -9.420 -5.350 1.00 0.00 C ATOM 1866 CD2 LEU B 43 -10.428 -11.179 -5.026 1.00 0.00 C ATOM 0 H LEU B 43 -9.830 -6.948 -4.717 1.00 0.00 H new ATOM 0 HA LEU B 43 -10.112 -7.964 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -11.282 -8.650 -4.767 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -12.016 -9.276 -6.229 1.00 0.00 H new ATOM 0 HG LEU B 43 -9.877 -10.303 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -7.916 -10.187 -5.403 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -8.390 -8.561 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -8.821 -9.109 -4.314 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -9.663 -11.953 -5.078 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -10.550 -10.858 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -11.373 -11.577 -5.396 1.00 0.00 H new ATOM 1878 N SER B 44 -12.337 -7.003 -8.110 1.00 0.00 N ATOM 1879 CA SER B 44 -13.529 -6.210 -8.560 1.00 0.00 C ATOM 1880 C SER B 44 -14.635 -6.215 -7.496 1.00 0.00 C ATOM 1881 O SER B 44 -15.354 -5.248 -7.346 1.00 0.00 O ATOM 1882 CB SER B 44 -14.076 -6.830 -9.842 1.00 0.00 C ATOM 1883 OG SER B 44 -15.180 -7.609 -9.405 1.00 0.00 O ATOM 0 H SER B 44 -11.983 -7.677 -8.789 1.00 0.00 H new ATOM 0 HA SER B 44 -13.216 -5.179 -8.728 1.00 0.00 H new ATOM 0 HB2 SER B 44 -14.385 -6.065 -10.555 1.00 0.00 H new ATOM 0 HB3 SER B 44 -13.326 -7.445 -10.339 1.00 0.00 H new ATOM 0 HG SER B 44 -15.597 -8.047 -10.176 1.00 0.00 H new ATOM 1889 N ASP B 45 -14.750 -7.299 -6.782 1.00 0.00 N ATOM 1890 CA ASP B 45 -15.821 -7.376 -5.742 1.00 0.00 C ATOM 1891 C ASP B 45 -15.644 -6.256 -4.713 1.00 0.00 C ATOM 1892 O ASP B 45 -16.475 -6.069 -3.846 1.00 0.00 O ATOM 1893 CB ASP B 45 -15.738 -8.730 -5.042 1.00 0.00 C ATOM 1894 CG ASP B 45 -14.270 -9.130 -4.884 1.00 0.00 C ATOM 1895 OD1 ASP B 45 -13.547 -8.320 -4.328 1.00 0.00 O ATOM 1896 OD2 ASP B 45 -13.956 -10.222 -5.328 1.00 0.00 O ATOM 0 H ASP B 45 -14.159 -8.126 -6.869 1.00 0.00 H new ATOM 0 HA ASP B 45 -16.794 -7.262 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP B 45 -16.219 -8.677 -4.065 1.00 0.00 H new ATOM 0 HB3 ASP B 45 -16.272 -9.484 -5.620 1.00 0.00 H new ATOM 1901 N GLY B 46 -14.566 -5.536 -4.833 1.00 0.00 N ATOM 1902 CA GLY B 46 -14.319 -4.425 -3.873 1.00 0.00 C ATOM 1903 C GLY B 46 -13.552 -4.938 -2.656 1.00 0.00 C ATOM 1904 O GLY B 46 -13.677 -4.401 -1.572 1.00 0.00 O ATOM 0 H GLY B 46 -13.850 -5.666 -5.548 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -13.752 -3.632 -4.361 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -15.267 -3.990 -3.557 1.00 0.00 H new ATOM 1908 N ARG B 47 -12.769 -5.969 -2.864 1.00 0.00 N ATOM 1909 CA ARG B 47 -11.983 -6.547 -1.725 1.00 0.00 C ATOM 1910 C ARG B 47 -10.484 -6.327 -1.947 1.00 0.00 C ATOM 1911 O ARG B 47 -10.055 -6.020 -3.041 1.00 0.00 O ATOM 1912 CB ARG B 47 -12.266 -8.046 -1.635 1.00 0.00 C ATOM 1913 CG ARG B 47 -13.773 -8.263 -1.458 1.00 0.00 C ATOM 1914 CD ARG B 47 -14.099 -9.747 -1.644 1.00 0.00 C ATOM 1915 NE ARG B 47 -13.571 -10.509 -0.477 1.00 0.00 N ATOM 1916 CZ ARG B 47 -14.381 -11.262 0.215 1.00 0.00 C ATOM 1917 NH1 ARG B 47 -14.771 -12.400 -0.290 1.00 0.00 N ATOM 1918 NH2 ARG B 47 -14.775 -10.852 1.390 1.00 0.00 N ATOM 0 H ARG B 47 -12.640 -6.433 -3.763 1.00 0.00 H new ATOM 0 HA ARG B 47 -12.278 -6.052 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG B 47 -11.917 -8.549 -2.537 1.00 0.00 H new ATOM 0 HB3 ARG B 47 -11.722 -8.481 -0.797 1.00 0.00 H new ATOM 0 HG2 ARG B 47 -14.085 -7.932 -0.467 1.00 0.00 H new ATOM 0 HG3 ARG B 47 -14.325 -7.665 -2.183 1.00 0.00 H new ATOM 0 HD2 ARG B 47 -15.176 -9.888 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG B 47 -13.655 -10.117 -2.568 1.00 0.00 H new ATOM 0 HE ARG B 47 -12.586 -10.442 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG B 47 -14.443 -12.688 -1.212 1.00 0.00 H new ATOM 0 HH12 ARG B 47 -15.404 -13.002 0.237 1.00 0.00 H new ATOM 0 HH21 ARG B 47 -14.450 -9.956 1.753 1.00 0.00 H new ATOM 0 HH22 ARG B 47 -15.408 -11.428 1.945 1.00 0.00 H new ATOM 1932 N GLU B 48 -9.722 -6.489 -0.895 1.00 0.00 N ATOM 1933 CA GLU B 48 -8.246 -6.297 -1.015 1.00 0.00 C ATOM 1934 C GLU B 48 -7.507 -7.400 -0.254 1.00 0.00 C ATOM 1935 O GLU B 48 -7.778 -7.646 0.905 1.00 0.00 O ATOM 1936 CB GLU B 48 -7.866 -4.932 -0.439 1.00 0.00 C ATOM 1937 CG GLU B 48 -7.888 -5.004 1.089 1.00 0.00 C ATOM 1938 CD GLU B 48 -7.956 -3.585 1.659 1.00 0.00 C ATOM 1939 OE1 GLU B 48 -8.782 -2.839 1.160 1.00 0.00 O ATOM 1940 OE2 GLU B 48 -7.175 -3.327 2.560 1.00 0.00 O ATOM 0 H GLU B 48 -10.055 -6.744 0.035 1.00 0.00 H new ATOM 0 HA GLU B 48 -7.963 -6.344 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU B 48 -6.875 -4.641 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU B 48 -8.563 -4.170 -0.789 1.00 0.00 H new ATOM 0 HG2 GLU B 48 -8.747 -5.585 1.425 1.00 0.00 H new ATOM 0 HG3 GLU B 48 -6.996 -5.513 1.454 1.00 0.00 H new ATOM 1947 N LEU B 49 -6.589 -8.041 -0.932 1.00 0.00 N ATOM 1948 CA LEU B 49 -5.809 -9.138 -0.277 1.00 0.00 C ATOM 1949 C LEU B 49 -4.309 -8.903 -0.471 1.00 0.00 C ATOM 1950 O LEU B 49 -3.901 -7.901 -1.027 1.00 0.00 O ATOM 1951 CB LEU B 49 -6.199 -10.473 -0.910 1.00 0.00 C ATOM 1952 CG LEU B 49 -7.675 -10.756 -0.621 1.00 0.00 C ATOM 1953 CD1 LEU B 49 -8.439 -10.841 -1.943 1.00 0.00 C ATOM 1954 CD2 LEU B 49 -7.796 -12.091 0.114 1.00 0.00 C ATOM 0 H LEU B 49 -6.346 -7.855 -1.905 1.00 0.00 H new ATOM 0 HA LEU B 49 -6.031 -9.152 0.790 1.00 0.00 H new ATOM 0 HB2 LEU B 49 -6.026 -10.443 -1.986 1.00 0.00 H new ATOM 0 HB3 LEU B 49 -5.578 -11.274 -0.510 1.00 0.00 H new ATOM 0 HG LEU B 49 -8.089 -9.957 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU B 49 -9.491 -11.043 -1.743 1.00 0.00 H new ATOM 0 HD12 LEU B 49 -8.346 -9.896 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU B 49 -8.025 -11.645 -2.551 1.00 0.00 H new ATOM 0 HD21 LEU B 49 -8.846 -12.298 0.323 1.00 0.00 H new ATOM 0 HD22 LEU B 49 -7.386 -12.887 -0.508 1.00 0.00 H new ATOM 0 HD23 LEU B 49 -7.243 -12.041 1.052 1.00 0.00 H new ATOM 1966 N CYS B 50 -3.520 -9.839 -0.005 1.00 0.00 N ATOM 1967 CA CYS B 50 -2.039 -9.698 -0.142 1.00 0.00 C ATOM 1968 C CYS B 50 -1.433 -10.996 -0.682 1.00 0.00 C ATOM 1969 O CYS B 50 -1.741 -12.072 -0.208 1.00 0.00 O ATOM 1970 CB CYS B 50 -1.442 -9.391 1.229 1.00 0.00 C ATOM 1971 SG CYS B 50 -1.724 -7.736 1.902 1.00 0.00 S ATOM 0 H CYS B 50 -3.835 -10.689 0.462 1.00 0.00 H new ATOM 0 HA CYS B 50 -1.816 -8.889 -0.837 1.00 0.00 H new ATOM 0 HB2 CYS B 50 -1.838 -10.117 1.940 1.00 0.00 H new ATOM 0 HB3 CYS B 50 -0.366 -9.554 1.173 1.00 0.00 H new ATOM 1976 N LEU B 51 -0.582 -10.861 -1.666 1.00 0.00 N ATOM 1977 CA LEU B 51 0.059 -12.071 -2.264 1.00 0.00 C ATOM 1978 C LEU B 51 1.524 -12.166 -1.833 1.00 0.00 C ATOM 1979 O LEU B 51 2.135 -11.177 -1.478 1.00 0.00 O ATOM 1980 CB LEU B 51 -0.011 -11.971 -3.787 1.00 0.00 C ATOM 1981 CG LEU B 51 -1.415 -11.528 -4.202 1.00 0.00 C ATOM 1982 CD1 LEU B 51 -1.502 -11.506 -5.728 1.00 0.00 C ATOM 1983 CD2 LEU B 51 -2.440 -12.520 -3.651 1.00 0.00 C ATOM 0 H LEU B 51 -0.304 -9.971 -2.080 1.00 0.00 H new ATOM 0 HA LEU B 51 -0.469 -12.960 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU B 51 0.730 -11.258 -4.150 1.00 0.00 H new ATOM 0 HB3 LEU B 51 0.226 -12.935 -4.237 1.00 0.00 H new ATOM 0 HG LEU B 51 -1.620 -10.533 -3.807 1.00 0.00 H new ATOM 0 HD11 LEU B 51 -2.501 -11.191 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -0.765 -10.807 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU B 51 -1.302 -12.504 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU B 51 -3.442 -12.208 -3.944 1.00 0.00 H new ATOM 0 HD22 LEU B 51 -2.237 -13.513 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU B 51 -2.372 -12.547 -2.563 1.00 0.00 H new ATOM 1995 N ASP B 52 2.053 -13.359 -1.879 1.00 0.00 N ATOM 1996 CA ASP B 52 3.479 -13.556 -1.483 1.00 0.00 C ATOM 1997 C ASP B 52 4.343 -13.809 -2.751 1.00 0.00 C ATOM 1998 O ASP B 52 4.227 -14.854 -3.359 1.00 0.00 O ATOM 1999 CB ASP B 52 3.562 -14.786 -0.581 1.00 0.00 C ATOM 2000 CG ASP B 52 4.792 -14.670 0.320 1.00 0.00 C ATOM 2001 OD1 ASP B 52 5.751 -14.074 -0.145 1.00 0.00 O ATOM 2002 OD2 ASP B 52 4.706 -15.184 1.423 1.00 0.00 O ATOM 0 H ASP B 52 1.562 -14.204 -2.172 1.00 0.00 H new ATOM 0 HA ASP B 52 3.845 -12.670 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP B 52 2.660 -14.868 0.025 1.00 0.00 H new ATOM 0 HB3 ASP B 52 3.624 -15.691 -1.185 1.00 0.00 H new ATOM 2007 N PRO B 53 5.201 -12.857 -3.141 1.00 0.00 N ATOM 2008 CA PRO B 53 6.034 -13.048 -4.336 1.00 0.00 C ATOM 2009 C PRO B 53 6.919 -14.287 -4.175 1.00 0.00 C ATOM 2010 O PRO B 53 7.653 -14.653 -5.071 1.00 0.00 O ATOM 2011 CB PRO B 53 6.889 -11.781 -4.449 1.00 0.00 C ATOM 2012 CG PRO B 53 6.451 -10.822 -3.301 1.00 0.00 C ATOM 2013 CD PRO B 53 5.413 -11.571 -2.445 1.00 0.00 C ATOM 0 HA PRO B 53 5.431 -13.204 -5.231 1.00 0.00 H new ATOM 0 HB2 PRO B 53 7.948 -12.023 -4.364 1.00 0.00 H new ATOM 0 HB3 PRO B 53 6.747 -11.307 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO B 53 7.309 -10.531 -2.696 1.00 0.00 H new ATOM 0 HG3 PRO B 53 6.023 -9.906 -3.708 1.00 0.00 H new ATOM 0 HD2 PRO B 53 5.777 -11.727 -1.430 1.00 0.00 H new ATOM 0 HD3 PRO B 53 4.484 -11.006 -2.367 1.00 0.00 H new ATOM 2021 N LYS B 54 6.825 -14.906 -3.031 1.00 0.00 N ATOM 2022 CA LYS B 54 7.640 -16.119 -2.785 1.00 0.00 C ATOM 2023 C LYS B 54 7.026 -17.327 -3.501 1.00 0.00 C ATOM 2024 O LYS B 54 7.647 -18.368 -3.603 1.00 0.00 O ATOM 2025 CB LYS B 54 7.688 -16.387 -1.281 1.00 0.00 C ATOM 2026 CG LYS B 54 8.829 -17.361 -0.977 1.00 0.00 C ATOM 2027 CD LYS B 54 8.923 -17.567 0.535 1.00 0.00 C ATOM 2028 CE LYS B 54 10.085 -18.514 0.840 1.00 0.00 C ATOM 2029 NZ LYS B 54 11.251 -17.753 1.372 1.00 0.00 N ATOM 0 H LYS B 54 6.220 -14.622 -2.260 1.00 0.00 H new ATOM 0 HA LYS B 54 8.647 -15.960 -3.170 1.00 0.00 H new ATOM 0 HB2 LYS B 54 7.837 -15.454 -0.738 1.00 0.00 H new ATOM 0 HB3 LYS B 54 6.739 -16.804 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS B 54 8.653 -18.314 -1.476 1.00 0.00 H new ATOM 0 HG3 LYS B 54 9.770 -16.969 -1.362 1.00 0.00 H new ATOM 0 HD2 LYS B 54 9.076 -16.611 1.036 1.00 0.00 H new ATOM 0 HD3 LYS B 54 7.990 -17.982 0.917 1.00 0.00 H new ATOM 0 HE2 LYS B 54 9.770 -19.264 1.566 1.00 0.00 H new ATOM 0 HE3 LYS B 54 10.374 -19.048 -0.065 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 12.031 -18.410 1.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 11.561 -17.054 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 10.976 -17.263 2.247 1.00 0.00 H new ATOM 2043 N GLU B 55 5.817 -17.164 -3.983 1.00 0.00 N ATOM 2044 CA GLU B 55 5.148 -18.300 -4.694 1.00 0.00 C ATOM 2045 C GLU B 55 5.230 -18.096 -6.211 1.00 0.00 C ATOM 2046 O GLU B 55 5.043 -17.003 -6.706 1.00 0.00 O ATOM 2047 CB GLU B 55 3.686 -18.372 -4.266 1.00 0.00 C ATOM 2048 CG GLU B 55 3.607 -18.439 -2.740 1.00 0.00 C ATOM 2049 CD GLU B 55 2.928 -19.746 -2.325 1.00 0.00 C ATOM 2050 OE1 GLU B 55 3.434 -20.775 -2.740 1.00 0.00 O ATOM 2051 OE2 GLU B 55 1.941 -19.642 -1.615 1.00 0.00 O ATOM 0 H GLU B 55 5.270 -16.305 -3.917 1.00 0.00 H new ATOM 0 HA GLU B 55 5.653 -19.231 -4.436 1.00 0.00 H new ATOM 0 HB2 GLU B 55 3.145 -17.499 -4.631 1.00 0.00 H new ATOM 0 HB3 GLU B 55 3.210 -19.249 -4.705 1.00 0.00 H new ATOM 0 HG2 GLU B 55 4.607 -18.383 -2.310 1.00 0.00 H new ATOM 0 HG3 GLU B 55 3.047 -17.587 -2.356 1.00 0.00 H new ATOM 2058 N ASN B 56 5.500 -19.160 -6.913 1.00 0.00 N ATOM 2059 CA ASN B 56 5.615 -19.049 -8.397 1.00 0.00 C ATOM 2060 C ASN B 56 4.266 -18.689 -9.031 1.00 0.00 C ATOM 2061 O ASN B 56 4.209 -17.897 -9.950 1.00 0.00 O ATOM 2062 CB ASN B 56 6.098 -20.386 -8.957 1.00 0.00 C ATOM 2063 CG ASN B 56 7.621 -20.359 -9.086 1.00 0.00 C ATOM 2064 OD1 ASN B 56 8.297 -19.580 -8.445 1.00 0.00 O ATOM 2065 ND2 ASN B 56 8.203 -21.193 -9.905 1.00 0.00 N ATOM 0 H ASN B 56 5.645 -20.094 -6.530 1.00 0.00 H new ATOM 0 HA ASN B 56 6.325 -18.257 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN B 56 5.792 -21.200 -8.301 1.00 0.00 H new ATOM 0 HB3 ASN B 56 5.642 -20.572 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN B 56 9.218 -21.187 -10.003 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.642 -21.850 -10.447 1.00 0.00 H new ATOM 2072 N TRP B 57 3.204 -19.270 -8.536 1.00 0.00 N ATOM 2073 CA TRP B 57 1.873 -18.956 -9.136 1.00 0.00 C ATOM 2074 C TRP B 57 1.539 -17.475 -8.956 1.00 0.00 C ATOM 2075 O TRP B 57 0.730 -16.933 -9.677 1.00 0.00 O ATOM 2076 CB TRP B 57 0.780 -19.825 -8.497 1.00 0.00 C ATOM 2077 CG TRP B 57 0.699 -19.574 -6.983 1.00 0.00 C ATOM 2078 CD1 TRP B 57 1.298 -20.332 -6.070 1.00 0.00 C ATOM 2079 CD2 TRP B 57 -0.018 -18.623 -6.406 1.00 0.00 C ATOM 2080 NE1 TRP B 57 0.910 -19.794 -4.904 1.00 0.00 N ATOM 2081 CE2 TRP B 57 0.075 -18.711 -5.026 1.00 0.00 C ATOM 2082 CE3 TRP B 57 -0.791 -17.623 -6.974 1.00 0.00 C ATOM 2083 CZ2 TRP B 57 -0.597 -17.810 -4.223 1.00 0.00 C ATOM 2084 CZ3 TRP B 57 -1.463 -16.723 -6.168 1.00 0.00 C ATOM 2085 CH2 TRP B 57 -1.366 -16.818 -4.794 1.00 0.00 C ATOM 0 H TRP B 57 3.198 -19.933 -7.761 1.00 0.00 H new ATOM 0 HA TRP B 57 1.917 -19.176 -10.203 1.00 0.00 H new ATOM 0 HB2 TRP B 57 -0.182 -19.605 -8.959 1.00 0.00 H new ATOM 0 HB3 TRP B 57 0.990 -20.878 -8.685 1.00 0.00 H new ATOM 0 HD1 TRP B 57 1.945 -21.182 -6.230 1.00 0.00 H new ATOM 0 HE1 TRP B 57 1.211 -20.160 -4.001 1.00 0.00 H new ATOM 0 HE3 TRP B 57 -0.869 -17.547 -8.048 1.00 0.00 H new ATOM 0 HZ2 TRP B 57 -0.520 -17.883 -3.148 1.00 0.00 H new ATOM 0 HZ3 TRP B 57 -2.065 -15.945 -6.614 1.00 0.00 H new ATOM 0 HH2 TRP B 57 -1.893 -16.115 -4.166 1.00 0.00 H new ATOM 2096 N VAL B 58 2.166 -16.844 -8.004 1.00 0.00 N ATOM 2097 CA VAL B 58 1.879 -15.397 -7.795 1.00 0.00 C ATOM 2098 C VAL B 58 2.567 -14.582 -8.883 1.00 0.00 C ATOM 2099 O VAL B 58 2.017 -13.628 -9.394 1.00 0.00 O ATOM 2100 CB VAL B 58 2.405 -14.968 -6.423 1.00 0.00 C ATOM 2101 CG1 VAL B 58 2.642 -13.457 -6.418 1.00 0.00 C ATOM 2102 CG2 VAL B 58 1.374 -15.320 -5.356 1.00 0.00 C ATOM 0 H VAL B 58 2.852 -17.257 -7.372 1.00 0.00 H new ATOM 0 HA VAL B 58 0.803 -15.227 -7.841 1.00 0.00 H new ATOM 0 HB VAL B 58 3.342 -15.484 -6.214 1.00 0.00 H new ATOM 0 HG11 VAL B 58 3.017 -13.151 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL B 58 3.374 -13.201 -7.184 1.00 0.00 H new ATOM 0 HG13 VAL B 58 1.705 -12.941 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL B 58 1.745 -15.016 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL B 58 0.440 -14.800 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL B 58 1.199 -16.396 -5.360 1.00 0.00 H new ATOM 2112 N GLN B 59 3.757 -14.981 -9.214 1.00 0.00 N ATOM 2113 CA GLN B 59 4.499 -14.253 -10.274 1.00 0.00 C ATOM 2114 C GLN B 59 3.811 -14.472 -11.623 1.00 0.00 C ATOM 2115 O GLN B 59 3.997 -13.712 -12.547 1.00 0.00 O ATOM 2116 CB GLN B 59 5.926 -14.796 -10.338 1.00 0.00 C ATOM 2117 CG GLN B 59 6.825 -13.763 -11.019 1.00 0.00 C ATOM 2118 CD GLN B 59 8.258 -14.294 -11.068 1.00 0.00 C ATOM 2119 OE1 GLN B 59 8.504 -15.469 -10.875 1.00 0.00 O ATOM 2120 NE2 GLN B 59 9.233 -13.466 -11.324 1.00 0.00 N ATOM 0 H GLN B 59 4.247 -15.774 -8.800 1.00 0.00 H new ATOM 0 HA GLN B 59 4.516 -13.187 -10.048 1.00 0.00 H new ATOM 0 HB2 GLN B 59 6.292 -15.009 -9.334 1.00 0.00 H new ATOM 0 HB3 GLN B 59 5.946 -15.735 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN B 59 6.466 -13.560 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN B 59 6.793 -12.820 -10.473 1.00 0.00 H new ATOM 0 HE21 GLN B 59 9.034 -12.479 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN B 59 10.194 -13.806 -11.361 1.00 0.00 H new ATOM 2129 N ARG B 60 3.016 -15.506 -11.699 1.00 0.00 N ATOM 2130 CA ARG B 60 2.320 -15.806 -12.983 1.00 0.00 C ATOM 2131 C ARG B 60 0.986 -15.053 -13.083 1.00 0.00 C ATOM 2132 O ARG B 60 0.785 -14.274 -13.993 1.00 0.00 O ATOM 2133 CB ARG B 60 2.061 -17.309 -13.065 1.00 0.00 C ATOM 2134 CG ARG B 60 2.540 -17.832 -14.419 1.00 0.00 C ATOM 2135 CD ARG B 60 2.269 -19.335 -14.502 1.00 0.00 C ATOM 2136 NE ARG B 60 2.171 -19.730 -15.933 1.00 0.00 N ATOM 2137 CZ ARG B 60 2.808 -20.789 -16.352 1.00 0.00 C ATOM 2138 NH1 ARG B 60 2.796 -21.865 -15.615 1.00 0.00 N ATOM 2139 NH2 ARG B 60 3.436 -20.734 -17.495 1.00 0.00 N ATOM 0 H ARG B 60 2.820 -16.151 -10.934 1.00 0.00 H new ATOM 0 HA ARG B 60 2.955 -15.481 -13.807 1.00 0.00 H new ATOM 0 HB2 ARG B 60 2.583 -17.824 -12.258 1.00 0.00 H new ATOM 0 HB3 ARG B 60 0.998 -17.514 -12.939 1.00 0.00 H new ATOM 0 HG2 ARG B 60 2.024 -17.312 -15.226 1.00 0.00 H new ATOM 0 HG3 ARG B 60 3.605 -17.635 -14.542 1.00 0.00 H new ATOM 0 HD2 ARG B 60 3.069 -19.890 -14.012 1.00 0.00 H new ATOM 0 HD3 ARG B 60 1.345 -19.581 -13.979 1.00 0.00 H new ATOM 0 HE ARG B 60 1.610 -19.177 -16.582 1.00 0.00 H new ATOM 0 HH11 ARG B 60 2.294 -21.869 -14.727 1.00 0.00 H new ATOM 0 HH12 ARG B 60 3.288 -22.702 -15.927 1.00 0.00 H new ATOM 0 HH21 ARG B 60 3.423 -19.874 -18.043 1.00 0.00 H new ATOM 0 HH22 ARG B 60 3.940 -21.551 -17.840 1.00 0.00 H new ATOM 2153 N VAL B 61 0.098 -15.296 -12.151 1.00 0.00 N ATOM 2154 CA VAL B 61 -1.215 -14.602 -12.216 1.00 0.00 C ATOM 2155 C VAL B 61 -0.992 -13.086 -12.223 1.00 0.00 C ATOM 2156 O VAL B 61 -1.738 -12.346 -12.834 1.00 0.00 O ATOM 2157 CB VAL B 61 -2.058 -15.019 -11.008 1.00 0.00 C ATOM 2158 CG1 VAL B 61 -2.166 -16.548 -10.975 1.00 0.00 C ATOM 2159 CG2 VAL B 61 -1.381 -14.522 -9.728 1.00 0.00 C ATOM 0 H VAL B 61 0.225 -15.933 -11.364 1.00 0.00 H new ATOM 0 HA VAL B 61 -1.742 -14.878 -13.129 1.00 0.00 H new ATOM 0 HB VAL B 61 -3.056 -14.586 -11.082 1.00 0.00 H new ATOM 0 HG11 VAL B 61 -2.765 -16.852 -10.117 1.00 0.00 H new ATOM 0 HG12 VAL B 61 -2.640 -16.899 -11.891 1.00 0.00 H new ATOM 0 HG13 VAL B 61 -1.169 -16.981 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL B 61 -1.977 -14.816 -8.864 1.00 0.00 H new ATOM 0 HG22 VAL B 61 -0.386 -14.960 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL B 61 -1.298 -13.436 -9.759 1.00 0.00 H new ATOM 2169 N VAL B 62 0.040 -12.658 -11.550 1.00 0.00 N ATOM 2170 CA VAL B 62 0.337 -11.200 -11.530 1.00 0.00 C ATOM 2171 C VAL B 62 0.938 -10.788 -12.876 1.00 0.00 C ATOM 2172 O VAL B 62 0.622 -9.740 -13.406 1.00 0.00 O ATOM 2173 CB VAL B 62 1.333 -10.902 -10.408 1.00 0.00 C ATOM 2174 CG1 VAL B 62 1.780 -9.443 -10.506 1.00 0.00 C ATOM 2175 CG2 VAL B 62 0.654 -11.131 -9.058 1.00 0.00 C ATOM 0 H VAL B 62 0.683 -13.246 -11.020 1.00 0.00 H new ATOM 0 HA VAL B 62 -0.581 -10.639 -11.357 1.00 0.00 H new ATOM 0 HB VAL B 62 2.198 -11.559 -10.500 1.00 0.00 H new ATOM 0 HG11 VAL B 62 2.490 -9.226 -9.708 1.00 0.00 H new ATOM 0 HG12 VAL B 62 2.256 -9.272 -11.472 1.00 0.00 H new ATOM 0 HG13 VAL B 62 0.913 -8.790 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL B 62 1.360 -10.920 -8.255 1.00 0.00 H new ATOM 0 HG22 VAL B 62 -0.207 -10.469 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL B 62 0.324 -12.168 -8.988 1.00 0.00 H new ATOM 2185 N GLU B 63 1.795 -11.625 -13.403 1.00 0.00 N ATOM 2186 CA GLU B 63 2.415 -11.302 -14.721 1.00 0.00 C ATOM 2187 C GLU B 63 1.328 -11.169 -15.785 1.00 0.00 C ATOM 2188 O GLU B 63 1.377 -10.291 -16.622 1.00 0.00 O ATOM 2189 CB GLU B 63 3.371 -12.426 -15.120 1.00 0.00 C ATOM 2190 CG GLU B 63 3.830 -12.206 -16.560 1.00 0.00 C ATOM 2191 CD GLU B 63 5.204 -12.849 -16.757 1.00 0.00 C ATOM 2192 OE1 GLU B 63 5.215 -14.054 -16.948 1.00 0.00 O ATOM 2193 OE2 GLU B 63 6.166 -12.099 -16.705 1.00 0.00 O ATOM 0 H GLU B 63 2.089 -12.507 -12.983 1.00 0.00 H new ATOM 0 HA GLU B 63 2.961 -10.362 -14.640 1.00 0.00 H new ATOM 0 HB2 GLU B 63 4.231 -12.444 -14.450 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.875 -13.392 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.110 -12.640 -17.254 1.00 0.00 H new ATOM 0 HG3 GLU B 63 3.880 -11.139 -16.779 1.00 0.00 H new ATOM 2200 N LYS B 64 0.362 -12.048 -15.730 1.00 0.00 N ATOM 2201 CA LYS B 64 -0.734 -11.982 -16.733 1.00 0.00 C ATOM 2202 C LYS B 64 -1.486 -10.656 -16.599 1.00 0.00 C ATOM 2203 O LYS B 64 -1.828 -10.035 -17.586 1.00 0.00 O ATOM 2204 CB LYS B 64 -1.695 -13.148 -16.507 1.00 0.00 C ATOM 2205 CG LYS B 64 -1.362 -14.268 -17.497 1.00 0.00 C ATOM 2206 CD LYS B 64 -2.283 -15.462 -17.239 1.00 0.00 C ATOM 2207 CE LYS B 64 -1.889 -16.607 -18.174 1.00 0.00 C ATOM 2208 NZ LYS B 64 -3.074 -17.454 -18.489 1.00 0.00 N ATOM 0 H LYS B 64 0.287 -12.798 -15.043 1.00 0.00 H new ATOM 0 HA LYS B 64 -0.311 -12.047 -17.736 1.00 0.00 H new ATOM 0 HB2 LYS B 64 -1.610 -13.513 -15.483 1.00 0.00 H new ATOM 0 HB3 LYS B 64 -2.725 -12.819 -16.644 1.00 0.00 H new ATOM 0 HG2 LYS B 64 -1.486 -13.913 -18.520 1.00 0.00 H new ATOM 0 HG3 LYS B 64 -0.320 -14.568 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS B 64 -2.204 -15.781 -16.200 1.00 0.00 H new ATOM 0 HD3 LYS B 64 -3.322 -15.179 -17.407 1.00 0.00 H new ATOM 0 HE2 LYS B 64 -1.467 -16.204 -19.095 1.00 0.00 H new ATOM 0 HE3 LYS B 64 -1.114 -17.215 -17.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 64 -2.789 -18.226 -19.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 64 -3.459 -17.853 -17.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 64 -3.802 -16.874 -18.953 1.00 0.00 H new ATOM 2222 N PHE B 65 -1.727 -10.245 -15.382 1.00 0.00 N ATOM 2223 CA PHE B 65 -2.448 -8.955 -15.185 1.00 0.00 C ATOM 2224 C PHE B 65 -1.719 -7.829 -15.920 1.00 0.00 C ATOM 2225 O PHE B 65 -2.334 -7.017 -16.582 1.00 0.00 O ATOM 2226 CB PHE B 65 -2.514 -8.620 -13.707 1.00 0.00 C ATOM 2227 CG PHE B 65 -3.193 -7.257 -13.543 1.00 0.00 C ATOM 2228 CD1 PHE B 65 -4.548 -7.113 -13.788 1.00 0.00 C ATOM 2229 CD2 PHE B 65 -2.461 -6.148 -13.151 1.00 0.00 C ATOM 2230 CE1 PHE B 65 -5.159 -5.882 -13.645 1.00 0.00 C ATOM 2231 CE2 PHE B 65 -3.075 -4.919 -13.008 1.00 0.00 C ATOM 2232 CZ PHE B 65 -4.423 -4.787 -13.256 1.00 0.00 C ATOM 0 H PHE B 65 -1.461 -10.738 -14.529 1.00 0.00 H new ATOM 0 HA PHE B 65 -3.458 -9.056 -15.583 1.00 0.00 H new ATOM 0 HB2 PHE B 65 -3.072 -9.387 -13.170 1.00 0.00 H new ATOM 0 HB3 PHE B 65 -1.512 -8.597 -13.280 1.00 0.00 H new ATOM 0 HD1 PHE B 65 -5.132 -7.969 -14.093 1.00 0.00 H new ATOM 0 HD2 PHE B 65 -1.403 -6.245 -12.956 1.00 0.00 H new ATOM 0 HE1 PHE B 65 -6.216 -5.779 -13.839 1.00 0.00 H new ATOM 0 HE2 PHE B 65 -2.497 -4.060 -12.701 1.00 0.00 H new ATOM 0 HZ PHE B 65 -4.902 -3.825 -13.145 1.00 0.00 H new ATOM 2242 N LEU B 66 -0.420 -7.802 -15.787 1.00 0.00 N ATOM 2243 CA LEU B 66 0.365 -6.731 -16.470 1.00 0.00 C ATOM 2244 C LEU B 66 0.277 -6.898 -17.992 1.00 0.00 C ATOM 2245 O LEU B 66 0.088 -5.939 -18.714 1.00 0.00 O ATOM 2246 CB LEU B 66 1.824 -6.824 -16.031 1.00 0.00 C ATOM 2247 CG LEU B 66 2.026 -5.978 -14.773 1.00 0.00 C ATOM 2248 CD1 LEU B 66 3.208 -6.535 -13.977 1.00 0.00 C ATOM 2249 CD2 LEU B 66 2.327 -4.534 -15.177 1.00 0.00 C ATOM 0 H LEU B 66 0.128 -8.467 -15.241 1.00 0.00 H new ATOM 0 HA LEU B 66 -0.044 -5.758 -16.199 1.00 0.00 H new ATOM 0 HB2 LEU B 66 2.091 -7.862 -15.832 1.00 0.00 H new ATOM 0 HB3 LEU B 66 2.479 -6.473 -16.828 1.00 0.00 H new ATOM 0 HG LEU B 66 1.124 -6.007 -14.162 1.00 0.00 H new ATOM 0 HD11 LEU B 66 3.357 -5.936 -13.079 1.00 0.00 H new ATOM 0 HD12 LEU B 66 3.002 -7.567 -13.694 1.00 0.00 H new ATOM 0 HD13 LEU B 66 4.109 -6.499 -14.590 1.00 0.00 H new ATOM 0 HD21 LEU B 66 2.471 -3.928 -14.282 1.00 0.00 H new ATOM 0 HD22 LEU B 66 3.232 -4.507 -15.784 1.00 0.00 H new ATOM 0 HD23 LEU B 66 1.492 -4.136 -15.754 1.00 0.00 H new ATOM 2261 N LYS B 67 0.417 -8.114 -18.445 1.00 0.00 N ATOM 2262 CA LYS B 67 0.343 -8.361 -19.915 1.00 0.00 C ATOM 2263 C LYS B 67 -1.078 -8.097 -20.425 1.00 0.00 C ATOM 2264 O LYS B 67 -1.276 -7.779 -21.580 1.00 0.00 O ATOM 2265 CB LYS B 67 0.725 -9.813 -20.198 1.00 0.00 C ATOM 2266 CG LYS B 67 1.543 -9.871 -21.490 1.00 0.00 C ATOM 2267 CD LYS B 67 1.573 -11.310 -21.999 1.00 0.00 C ATOM 2268 CE LYS B 67 2.350 -11.364 -23.322 1.00 0.00 C ATOM 2269 NZ LYS B 67 2.649 -12.780 -23.668 1.00 0.00 N ATOM 0 H LYS B 67 0.578 -8.940 -17.869 1.00 0.00 H new ATOM 0 HA LYS B 67 1.031 -7.689 -20.427 1.00 0.00 H new ATOM 0 HB2 LYS B 67 1.303 -10.219 -19.368 1.00 0.00 H new ATOM 0 HB3 LYS B 67 -0.171 -10.426 -20.292 1.00 0.00 H new ATOM 0 HG2 LYS B 67 1.105 -9.215 -22.242 1.00 0.00 H new ATOM 0 HG3 LYS B 67 2.557 -9.515 -21.309 1.00 0.00 H new ATOM 0 HD2 LYS B 67 2.044 -11.959 -21.261 1.00 0.00 H new ATOM 0 HD3 LYS B 67 0.557 -11.677 -22.145 1.00 0.00 H new ATOM 0 HE2 LYS B 67 1.766 -10.900 -24.117 1.00 0.00 H new ATOM 0 HE3 LYS B 67 3.277 -10.797 -23.234 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 3.175 -12.815 -24.564 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 3.222 -13.208 -22.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 1.759 -13.308 -23.769 1.00 0.00 H new ATOM 2283 N ARG B 68 -2.037 -8.236 -19.550 1.00 0.00 N ATOM 2284 CA ARG B 68 -3.450 -7.998 -19.965 1.00 0.00 C ATOM 2285 C ARG B 68 -3.771 -6.499 -19.928 1.00 0.00 C ATOM 2286 O ARG B 68 -4.374 -5.970 -20.841 1.00 0.00 O ATOM 2287 CB ARG B 68 -4.382 -8.743 -19.010 1.00 0.00 C ATOM 2288 CG ARG B 68 -5.833 -8.461 -19.406 1.00 0.00 C ATOM 2289 CD ARG B 68 -6.639 -9.759 -19.316 1.00 0.00 C ATOM 2290 NE ARG B 68 -8.092 -9.425 -19.310 1.00 0.00 N ATOM 2291 CZ ARG B 68 -8.956 -10.317 -19.712 1.00 0.00 C ATOM 2292 NH1 ARG B 68 -8.541 -11.526 -19.976 1.00 0.00 N ATOM 2293 NH2 ARG B 68 -10.209 -9.971 -19.834 1.00 0.00 N ATOM 0 H ARG B 68 -1.906 -8.502 -18.574 1.00 0.00 H new ATOM 0 HA ARG B 68 -3.591 -8.361 -20.983 1.00 0.00 H new ATOM 0 HB2 ARG B 68 -4.183 -9.814 -19.049 1.00 0.00 H new ATOM 0 HB3 ARG B 68 -4.203 -8.423 -17.984 1.00 0.00 H new ATOM 0 HG2 ARG B 68 -6.262 -7.706 -18.748 1.00 0.00 H new ATOM 0 HG3 ARG B 68 -5.875 -8.062 -20.419 1.00 0.00 H new ATOM 0 HD2 ARG B 68 -6.405 -10.408 -20.160 1.00 0.00 H new ATOM 0 HD3 ARG B 68 -6.374 -10.305 -18.411 1.00 0.00 H new ATOM 0 HE ARG B 68 -8.408 -8.508 -18.995 1.00 0.00 H new ATOM 0 HH11 ARG B 68 -7.555 -11.762 -19.867 1.00 0.00 H new ATOM 0 HH12 ARG B 68 -9.203 -12.235 -20.291 1.00 0.00 H new ATOM 0 HH21 ARG B 68 -10.498 -9.017 -19.617 1.00 0.00 H new ATOM 0 HH22 ARG B 68 -10.899 -10.654 -20.147 1.00 0.00 H new ATOM 2307 N ALA B 69 -3.359 -5.849 -18.876 1.00 0.00 N ATOM 2308 CA ALA B 69 -3.631 -4.386 -18.766 1.00 0.00 C ATOM 2309 C ALA B 69 -2.796 -3.618 -19.797 1.00 0.00 C ATOM 2310 O ALA B 69 -3.138 -2.516 -20.178 1.00 0.00 O ATOM 2311 CB ALA B 69 -3.271 -3.911 -17.358 1.00 0.00 C ATOM 0 H ALA B 69 -2.850 -6.261 -18.094 1.00 0.00 H new ATOM 0 HA ALA B 69 -4.688 -4.201 -18.958 1.00 0.00 H new ATOM 0 HB1 ALA B 69 -3.468 -2.842 -17.273 1.00 0.00 H new ATOM 0 HB2 ALA B 69 -3.873 -4.450 -16.627 1.00 0.00 H new ATOM 0 HB3 ALA B 69 -2.215 -4.101 -17.169 1.00 0.00 H new ATOM 2317 N GLU B 70 -1.719 -4.218 -20.223 1.00 0.00 N ATOM 2318 CA GLU B 70 -0.852 -3.541 -21.229 1.00 0.00 C ATOM 2319 C GLU B 70 -1.408 -3.762 -22.639 1.00 0.00 C ATOM 2320 O GLU B 70 -1.431 -2.857 -23.449 1.00 0.00 O ATOM 2321 CB GLU B 70 0.561 -4.119 -21.139 1.00 0.00 C ATOM 2322 CG GLU B 70 1.470 -3.380 -22.127 1.00 0.00 C ATOM 2323 CD GLU B 70 2.910 -3.862 -21.947 1.00 0.00 C ATOM 2324 OE1 GLU B 70 3.521 -3.402 -20.996 1.00 0.00 O ATOM 2325 OE2 GLU B 70 3.320 -4.665 -22.771 1.00 0.00 O ATOM 0 H GLU B 70 -1.403 -5.140 -19.922 1.00 0.00 H new ATOM 0 HA GLU B 70 -0.829 -2.471 -21.024 1.00 0.00 H new ATOM 0 HB2 GLU B 70 0.946 -4.015 -20.124 1.00 0.00 H new ATOM 0 HB3 GLU B 70 0.546 -5.185 -21.367 1.00 0.00 H new ATOM 0 HG2 GLU B 70 1.139 -3.562 -23.149 1.00 0.00 H new ATOM 0 HG3 GLU B 70 1.411 -2.305 -21.959 1.00 0.00 H new ATOM 2332 N ASN B 71 -1.844 -4.963 -22.901 1.00 0.00 N ATOM 2333 CA ASN B 71 -2.403 -5.263 -24.251 1.00 0.00 C ATOM 2334 C ASN B 71 -3.748 -4.552 -24.437 1.00 0.00 C ATOM 2335 O ASN B 71 -4.144 -4.244 -25.543 1.00 0.00 O ATOM 2336 CB ASN B 71 -2.602 -6.771 -24.385 1.00 0.00 C ATOM 2337 CG ASN B 71 -3.451 -7.062 -25.624 1.00 0.00 C ATOM 2338 OD1 ASN B 71 -4.653 -6.892 -25.619 1.00 0.00 O ATOM 2339 ND2 ASN B 71 -2.866 -7.500 -26.705 1.00 0.00 N ATOM 0 H ASN B 71 -1.838 -5.744 -22.246 1.00 0.00 H new ATOM 0 HA ASN B 71 -1.709 -4.909 -25.014 1.00 0.00 H new ATOM 0 HB2 ASN B 71 -1.637 -7.271 -24.466 1.00 0.00 H new ATOM 0 HB3 ASN B 71 -3.091 -7.165 -23.494 1.00 0.00 H new ATOM 0 HD21 ASN B 71 -3.418 -7.697 -27.539 1.00 0.00 H new ATOM 0 HD22 ASN B 71 -1.856 -7.645 -26.716 1.00 0.00 H new ATOM 2346 N SER B 72 -4.422 -4.307 -23.345 1.00 0.00 N ATOM 2347 CA SER B 72 -5.742 -3.616 -23.438 1.00 0.00 C ATOM 2348 C SER B 72 -5.576 -2.247 -24.104 1.00 0.00 C ATOM 2349 O SER B 72 -6.549 -1.440 -23.982 1.00 0.00 O ATOM 2350 CB SER B 72 -6.311 -3.435 -22.031 1.00 0.00 C ATOM 2351 OG SER B 72 -7.706 -3.644 -22.192 1.00 0.00 O ATOM 2352 OXT SER B 72 -4.481 -2.047 -24.716 1.00 0.00 O ATOM 0 H SER B 72 -4.120 -4.552 -22.402 1.00 0.00 H new ATOM 0 HA SER B 72 -6.423 -4.219 -24.039 1.00 0.00 H new ATOM 0 HB2 SER B 72 -5.879 -4.150 -21.331 1.00 0.00 H new ATOM 0 HB3 SER B 72 -6.100 -2.440 -21.640 1.00 0.00 H new ATOM 0 HG SER B 72 -8.154 -3.547 -21.326 1.00 0.00 H new TER 2358 SER B 72 HETATM 2359 C ACE C 0 23.000 15.201 3.111 1.00 0.00 C HETATM 2360 O ACE C 0 21.930 14.748 2.704 1.00 0.00 O HETATM 2361 CH3 ACE C 0 23.706 14.562 4.299 1.00 0.00 C HETATM 0 H1 ACE C 0 24.692 14.214 3.992 1.00 0.00 H new HETATM 0 H2 ACE C 0 23.813 15.297 5.097 1.00 0.00 H new HETATM 0 H3 ACE C 0 23.119 13.717 4.660 1.00 0.00 H new ATOM 2365 N MET C 1 23.607 16.260 2.560 1.00 0.00 N ATOM 2366 CA MET C 1 23.059 17.039 1.460 1.00 0.00 C ATOM 2367 C MET C 1 23.317 16.306 0.141 1.00 0.00 C ATOM 2368 O MET C 1 24.162 16.713 -0.655 1.00 0.00 O ATOM 2369 CB MET C 1 23.665 18.454 1.458 1.00 0.00 C ATOM 2370 CG MET C 1 23.198 19.323 2.636 1.00 0.00 C ATOM 2371 SD MET C 1 23.793 18.899 4.300 1.00 0.00 S ATOM 2372 CE MET C 1 25.563 19.239 4.124 1.00 0.00 C ATOM 0 H MET C 1 24.514 16.601 2.880 1.00 0.00 H new ATOM 0 HA MET C 1 21.981 17.148 1.583 1.00 0.00 H new ATOM 0 HB2 MET C 1 24.752 18.375 1.484 1.00 0.00 H new ATOM 0 HB3 MET C 1 23.403 18.951 0.524 1.00 0.00 H new ATOM 0 HG2 MET C 1 23.492 20.352 2.429 1.00 0.00 H new ATOM 0 HG3 MET C 1 22.108 19.301 2.656 1.00 0.00 H new ATOM 0 HE1 MET C 1 26.046 19.164 5.098 1.00 0.00 H new ATOM 0 HE2 MET C 1 26.007 18.514 3.442 1.00 0.00 H new ATOM 0 HE3 MET C 1 25.703 20.244 3.726 1.00 0.00 H new ATOM 2382 N TRP C 2 22.579 15.213 -0.079 1.00 0.00 N ATOM 2383 CA TRP C 2 22.703 14.375 -1.261 1.00 0.00 C ATOM 2384 C TRP C 2 21.963 15.017 -2.434 1.00 0.00 C ATOM 2385 O TRP C 2 20.823 15.453 -2.283 1.00 0.00 O ATOM 2386 CB TRP C 2 22.158 12.974 -0.956 1.00 0.00 C ATOM 2387 CG TRP C 2 22.579 12.360 0.350 1.00 0.00 C ATOM 2388 CD1 TRP C 2 21.753 11.682 1.178 1.00 0.00 C ATOM 2389 CD2 TRP C 2 23.883 12.369 1.016 1.00 0.00 C ATOM 2390 NE1 TRP C 2 22.440 11.264 2.298 1.00 0.00 N ATOM 2391 CE2 TRP C 2 23.759 11.662 2.249 1.00 0.00 C ATOM 2392 CE3 TRP C 2 25.159 12.897 0.714 1.00 0.00 C ATOM 2393 CZ2 TRP C 2 24.837 11.485 3.130 1.00 0.00 C ATOM 2394 CZ3 TRP C 2 26.244 12.735 1.595 1.00 0.00 C ATOM 2395 CH2 TRP C 2 26.088 12.028 2.799 1.00 0.00 C ATOM 0 H TRP C 2 21.868 14.886 0.575 1.00 0.00 H new ATOM 0 HA TRP C 2 23.753 14.281 -1.538 1.00 0.00 H new ATOM 0 HB2 TRP C 2 21.069 13.020 -0.976 1.00 0.00 H new ATOM 0 HB3 TRP C 2 22.464 12.306 -1.761 1.00 0.00 H new ATOM 0 HD1 TRP C 2 20.706 11.495 0.989 1.00 0.00 H new ATOM 0 HE1 TRP C 2 22.027 10.730 3.063 1.00 0.00 H new ATOM 0 HE3 TRP C 2 25.304 13.435 -0.211 1.00 0.00 H new ATOM 0 HZ2 TRP C 2 24.705 10.938 4.052 1.00 0.00 H new ATOM 0 HZ3 TRP C 2 27.205 13.158 1.343 1.00 0.00 H new ATOM 0 HH2 TRP C 2 26.927 11.903 3.467 1.00 0.00 H new ATOM 2406 N ASP C 3 22.615 15.074 -3.600 1.00 0.00 N ATOM 2407 CA ASP C 3 22.039 15.650 -4.806 1.00 0.00 C ATOM 2408 C ASP C 3 21.063 14.670 -5.455 1.00 0.00 C ATOM 2409 O ASP C 3 21.251 13.456 -5.394 1.00 0.00 O ATOM 2410 CB ASP C 3 23.153 16.035 -5.781 1.00 0.00 C ATOM 2411 CG ASP C 3 22.599 16.656 -7.063 1.00 0.00 C ATOM 2412 OD1 ASP C 3 22.189 17.835 -6.991 1.00 0.00 O ATOM 2413 OD2 ASP C 3 22.591 15.942 -8.089 1.00 0.00 O ATOM 0 H ASP C 3 23.562 14.718 -3.728 1.00 0.00 H new ATOM 0 HA ASP C 3 21.484 16.549 -4.539 1.00 0.00 H new ATOM 0 HB2 ASP C 3 23.830 16.741 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP C 3 23.739 15.150 -6.030 1.00 0.00 H new ATOM 2418 N PHE C 4 20.022 15.225 -6.081 1.00 0.00 N ATOM 2419 CA PHE C 4 18.977 14.491 -6.769 1.00 0.00 C ATOM 2420 C PHE C 4 19.244 14.597 -8.266 1.00 0.00 C ATOM 2421 O PHE C 4 18.704 15.476 -8.937 1.00 0.00 O ATOM 2422 CB PHE C 4 17.612 15.061 -6.371 1.00 0.00 C ATOM 2423 CG PHE C 4 17.261 14.836 -4.911 1.00 0.00 C ATOM 2424 CD1 PHE C 4 17.876 15.608 -3.906 1.00 0.00 C ATOM 2425 CD2 PHE C 4 16.371 13.806 -4.552 1.00 0.00 C ATOM 2426 CE1 PHE C 4 17.570 15.376 -2.554 1.00 0.00 C ATOM 2427 CE2 PHE C 4 16.066 13.576 -3.200 1.00 0.00 C ATOM 2428 CZ PHE C 4 16.663 14.363 -2.201 1.00 0.00 C ATOM 0 H PHE C 4 19.886 16.235 -6.119 1.00 0.00 H new ATOM 0 HA PHE C 4 18.972 13.437 -6.493 1.00 0.00 H new ATOM 0 HB2 PHE C 4 17.600 16.131 -6.578 1.00 0.00 H new ATOM 0 HB3 PHE C 4 16.842 14.607 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE C 4 18.583 16.379 -4.175 1.00 0.00 H new ATOM 0 HD2 PHE C 4 15.922 13.191 -5.318 1.00 0.00 H new ATOM 0 HE1 PHE C 4 18.033 15.977 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE C 4 15.372 12.794 -2.929 1.00 0.00 H new ATOM 0 HZ PHE C 4 16.425 14.189 -1.162 1.00 0.00 H new ATOM 2438 N ASP C 5 20.087 13.694 -8.777 1.00 0.00 N ATOM 2439 CA ASP C 5 20.460 13.624 -10.182 1.00 0.00 C ATOM 2440 C ASP C 5 19.239 13.210 -11.005 1.00 0.00 C ATOM 2441 O ASP C 5 18.965 12.020 -11.156 1.00 0.00 O ATOM 2442 CB ASP C 5 21.623 12.638 -10.355 1.00 0.00 C ATOM 2443 CG ASP C 5 22.866 13.097 -9.595 1.00 0.00 C ATOM 2444 OD1 ASP C 5 22.954 12.764 -8.393 1.00 0.00 O ATOM 2445 OD2 ASP C 5 23.703 13.775 -10.229 1.00 0.00 O ATOM 0 H ASP C 5 20.536 12.977 -8.207 1.00 0.00 H new ATOM 0 HA ASP C 5 20.794 14.599 -10.537 1.00 0.00 H new ATOM 0 HB2 ASP C 5 21.322 11.653 -10.000 1.00 0.00 H new ATOM 0 HB3 ASP C 5 21.860 12.536 -11.414 1.00 0.00 H new ATOM 2450 N ASP C 6 18.509 14.208 -11.518 1.00 0.00 N ATOM 2451 CA ASP C 6 17.246 14.029 -12.217 1.00 0.00 C ATOM 2452 C ASP C 6 17.418 14.325 -13.708 1.00 0.00 C ATOM 2453 O ASP C 6 17.488 13.396 -14.510 1.00 0.00 O ATOM 2454 CB ASP C 6 16.168 14.915 -11.570 1.00 0.00 C ATOM 2455 CG ASP C 6 15.910 14.581 -10.101 1.00 0.00 C ATOM 2456 OD1 ASP C 6 16.095 13.402 -9.727 1.00 0.00 O ATOM 2457 OD2 ASP C 6 15.529 15.522 -9.372 1.00 0.00 O ATOM 0 H ASP C 6 18.794 15.185 -11.453 1.00 0.00 H new ATOM 0 HA ASP C 6 16.921 12.992 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP C 6 16.470 15.959 -11.650 1.00 0.00 H new ATOM 0 HB3 ASP C 6 15.238 14.809 -12.128 1.00 0.00 H new HETATM 2462 C1 ACA C 7 12.208 15.119 -14.771 1.00 0.00 C HETATM 2463 O1 ACA C 7 11.929 13.938 -14.570 1.00 0.00 O HETATM 2464 C2 ACA C 7 12.528 15.602 -16.186 1.00 0.00 C HETATM 2465 C3 ACA C 7 13.760 16.516 -16.263 1.00 0.00 C HETATM 2466 C4 ACA C 7 15.028 15.819 -15.755 1.00 0.00 C HETATM 2467 C5 ACA C 7 16.234 16.763 -15.853 1.00 0.00 C HETATM 2468 C6 ACA C 7 17.543 16.071 -15.456 1.00 0.00 C HETATM 2469 N6 ACA C 7 17.479 15.612 -14.075 1.00 0.00 N HETATM 0 H62 ACA C 7 17.730 15.226 -16.118 1.00 0.00 H new HETATM 0 H61 ACA C 7 18.378 16.761 -15.578 1.00 0.00 H new HETATM 0 H52 ACA C 7 16.318 17.138 -16.873 1.00 0.00 H new HETATM 0 H51 ACA C 7 16.071 17.626 -15.208 1.00 0.00 H new HETATM 0 H42 ACA C 7 14.888 15.504 -14.721 1.00 0.00 H new HETATM 0 H41 ACA C 7 15.215 14.918 -16.340 1.00 0.00 H new HETATM 0 H32 ACA C 7 13.911 16.835 -17.294 1.00 0.00 H new HETATM 0 H31 ACA C 7 13.581 17.416 -15.674 1.00 0.00 H new HETATM 0 H22 ACA C 7 12.688 14.736 -16.828 1.00 0.00 H new HETATM 0 H21 ACA C 7 11.665 16.137 -16.582 1.00 0.00 H new ATOM 2481 N MET C 8 12.253 16.035 -13.797 1.00 0.00 N ATOM 2482 CA MET C 8 12.034 15.753 -12.384 1.00 0.00 C ATOM 2483 C MET C 8 10.529 15.800 -12.059 1.00 0.00 C ATOM 2484 O MET C 8 9.739 16.085 -12.958 1.00 0.00 O ATOM 2485 CB MET C 8 12.884 16.748 -11.573 1.00 0.00 C ATOM 2486 CG MET C 8 12.291 18.162 -11.527 1.00 0.00 C ATOM 2487 SD MET C 8 13.352 19.401 -10.735 1.00 0.00 S ATOM 2488 CE MET C 8 13.335 18.810 -9.022 1.00 0.00 C ATOM 0 HA MET C 8 12.352 14.746 -12.116 1.00 0.00 H new ATOM 0 HB2 MET C 8 12.993 16.375 -10.555 1.00 0.00 H new ATOM 0 HB3 MET C 8 13.884 16.796 -12.004 1.00 0.00 H new ATOM 0 HG2 MET C 8 12.076 18.485 -12.546 1.00 0.00 H new ATOM 0 HG3 MET C 8 11.339 18.126 -10.997 1.00 0.00 H new ATOM 0 HE1 MET C 8 13.840 19.534 -8.382 1.00 0.00 H new ATOM 0 HE2 MET C 8 12.304 18.689 -8.689 1.00 0.00 H new ATOM 0 HE3 MET C 8 13.851 17.852 -8.963 1.00 0.00 H new ATOM 2498 N PRO C 9 10.105 15.528 -10.808 1.00 0.00 N ATOM 2499 CA PRO C 9 8.710 15.567 -10.368 1.00 0.00 C ATOM 2500 C PRO C 9 7.904 16.803 -10.804 1.00 0.00 C ATOM 2501 O PRO C 9 8.483 17.805 -11.224 1.00 0.00 O ATOM 2502 CB PRO C 9 8.762 15.368 -8.851 1.00 0.00 C ATOM 2503 CG PRO C 9 9.926 14.394 -8.733 1.00 0.00 C ATOM 2504 CD PRO C 9 10.919 15.007 -9.720 1.00 0.00 C ATOM 0 HA PRO C 9 8.145 14.778 -10.864 1.00 0.00 H new ATOM 0 HB2 PRO C 9 8.947 16.300 -8.318 1.00 0.00 H new ATOM 0 HB3 PRO C 9 7.834 14.954 -8.456 1.00 0.00 H new ATOM 0 HG2 PRO C 9 10.326 14.349 -7.720 1.00 0.00 H new ATOM 0 HG3 PRO C 9 9.644 13.378 -9.009 1.00 0.00 H new ATOM 0 HD2 PRO C 9 11.502 15.799 -9.251 1.00 0.00 H new ATOM 0 HD3 PRO C 9 11.627 14.261 -10.081 1.00 0.00 H new ATOM 2512 N PRO C 10 6.563 16.731 -10.712 1.00 0.00 N ATOM 2513 CA PRO C 10 5.618 17.705 -11.242 1.00 0.00 C ATOM 2514 C PRO C 10 5.944 19.187 -11.052 1.00 0.00 C ATOM 2515 O PRO C 10 6.352 19.607 -9.971 1.00 0.00 O ATOM 2516 CB PRO C 10 4.286 17.370 -10.566 1.00 0.00 C ATOM 2517 CG PRO C 10 4.357 15.858 -10.465 1.00 0.00 C ATOM 2518 CD PRO C 10 5.818 15.644 -10.088 1.00 0.00 C ATOM 0 HA PRO C 10 5.628 17.610 -12.328 1.00 0.00 H new ATOM 0 HB2 PRO C 10 4.195 17.841 -9.587 1.00 0.00 H new ATOM 0 HB3 PRO C 10 3.433 17.700 -11.159 1.00 0.00 H new ATOM 0 HG2 PRO C 10 3.677 15.466 -9.709 1.00 0.00 H new ATOM 0 HG3 PRO C 10 4.101 15.372 -11.407 1.00 0.00 H new ATOM 0 HD2 PRO C 10 5.946 15.655 -9.006 1.00 0.00 H new ATOM 0 HD3 PRO C 10 6.173 14.676 -10.441 1.00 0.00 H new ATOM 2526 N ALA C 11 5.738 19.963 -12.126 1.00 0.00 N ATOM 2527 CA ALA C 11 5.783 21.421 -12.140 1.00 0.00 C ATOM 2528 C ALA C 11 4.389 21.967 -12.499 1.00 0.00 C ATOM 2529 O ALA C 11 4.258 23.095 -12.967 1.00 0.00 O ATOM 2530 CB ALA C 11 6.861 21.894 -13.120 1.00 0.00 C ATOM 0 H ALA C 11 5.527 19.570 -13.043 1.00 0.00 H new ATOM 0 HA ALA C 11 6.048 21.804 -11.155 1.00 0.00 H new ATOM 0 HB1 ALA C 11 6.892 22.984 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA C 11 7.831 21.505 -12.809 1.00 0.00 H new ATOM 0 HB3 ALA C 11 6.628 21.530 -14.121 1.00 0.00 H new ATOM 2536 N ASP C 12 3.356 21.145 -12.266 1.00 0.00 N ATOM 2537 CA ASP C 12 1.932 21.405 -12.426 1.00 0.00 C ATOM 2538 C ASP C 12 1.227 20.444 -11.467 1.00 0.00 C ATOM 2539 O ASP C 12 1.888 19.603 -10.858 1.00 0.00 O ATOM 2540 CB ASP C 12 1.482 21.139 -13.871 1.00 0.00 C ATOM 2541 CG ASP C 12 2.005 22.181 -14.856 1.00 0.00 C ATOM 2542 OD1 ASP C 12 1.617 23.359 -14.694 1.00 0.00 O ATOM 2543 OD2 ASP C 12 2.779 21.787 -15.754 1.00 0.00 O ATOM 0 H ASP C 12 3.519 20.196 -11.930 1.00 0.00 H new ATOM 0 HA ASP C 12 1.694 22.446 -12.210 1.00 0.00 H new ATOM 0 HB2 ASP C 12 1.826 20.151 -14.178 1.00 0.00 H new ATOM 0 HB3 ASP C 12 0.393 21.123 -13.910 1.00 0.00 H new ATOM 2548 N GLU C 13 -0.099 20.545 -11.316 1.00 0.00 N ATOM 2549 CA GLU C 13 -0.818 19.680 -10.393 1.00 0.00 C ATOM 2550 C GLU C 13 -2.313 19.599 -10.703 1.00 0.00 C ATOM 2551 O GLU C 13 -3.096 20.466 -10.324 1.00 0.00 O ATOM 2552 CB GLU C 13 -0.513 20.033 -8.927 1.00 0.00 C ATOM 2553 CG GLU C 13 -0.763 21.487 -8.486 1.00 0.00 C ATOM 2554 CD GLU C 13 0.189 22.490 -9.134 1.00 0.00 C ATOM 2555 OE1 GLU C 13 1.395 22.420 -8.814 1.00 0.00 O ATOM 2556 OE2 GLU C 13 -0.305 23.308 -9.941 1.00 0.00 O ATOM 0 H GLU C 13 -0.685 21.212 -11.818 1.00 0.00 H new ATOM 0 HA GLU C 13 -0.443 18.668 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -1.110 19.380 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU C 13 0.533 19.797 -8.733 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -1.789 21.761 -8.730 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -0.665 21.552 -7.402 1.00 0.00 H new ATOM 2563 N ASP C 14 -2.692 18.520 -11.395 1.00 0.00 N ATOM 2564 CA ASP C 14 -4.066 18.126 -11.656 1.00 0.00 C ATOM 2565 C ASP C 14 -4.054 16.618 -11.929 1.00 0.00 C ATOM 2566 O ASP C 14 -4.571 16.156 -12.944 1.00 0.00 O ATOM 2567 CB ASP C 14 -4.638 18.954 -12.819 1.00 0.00 C ATOM 2568 CG ASP C 14 -6.114 18.669 -13.107 1.00 0.00 C ATOM 2569 OD1 ASP C 14 -6.806 18.182 -12.186 1.00 0.00 O ATOM 2570 OD2 ASP C 14 -6.527 18.948 -14.253 1.00 0.00 O ATOM 0 H ASP C 14 -2.015 17.875 -11.803 1.00 0.00 H new ATOM 0 HA ASP C 14 -4.720 18.322 -10.807 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -4.519 20.014 -12.593 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.056 18.753 -13.718 1.00 0.00 H new ATOM 2575 N TYR C 15 -3.440 15.856 -11.011 1.00 0.00 N ATOM 2576 CA TYR C 15 -3.223 14.419 -11.136 1.00 0.00 C ATOM 2577 C TYR C 15 -3.434 13.781 -9.759 1.00 0.00 C ATOM 2578 O TYR C 15 -2.482 13.358 -9.105 1.00 0.00 O ATOM 2579 CB TYR C 15 -1.827 14.119 -11.727 1.00 0.00 C ATOM 2580 CG TYR C 15 -1.272 15.172 -12.670 1.00 0.00 C ATOM 2581 CD1 TYR C 15 -1.638 15.198 -14.030 1.00 0.00 C ATOM 2582 CD2 TYR C 15 -0.381 16.139 -12.167 1.00 0.00 C ATOM 2583 CE1 TYR C 15 -1.088 16.176 -14.879 1.00 0.00 C ATOM 2584 CE2 TYR C 15 0.127 17.142 -13.003 1.00 0.00 C ATOM 2585 CZ TYR C 15 -0.214 17.153 -14.366 1.00 0.00 C ATOM 2586 OH TYR C 15 0.304 18.110 -15.189 1.00 0.00 O ATOM 0 H TYR C 15 -3.073 16.239 -10.140 1.00 0.00 H new ATOM 0 HA TYR C 15 -3.938 13.984 -11.834 1.00 0.00 H new ATOM 0 HB2 TYR C 15 -1.125 13.988 -10.904 1.00 0.00 H new ATOM 0 HB3 TYR C 15 -1.874 13.169 -12.260 1.00 0.00 H new ATOM 0 HD1 TYR C 15 -2.336 14.472 -14.419 1.00 0.00 H new ATOM 0 HD2 TYR C 15 -0.087 16.107 -11.128 1.00 0.00 H new ATOM 0 HE1 TYR C 15 -1.338 16.177 -15.930 1.00 0.00 H new ATOM 0 HE2 TYR C 15 0.778 17.904 -12.601 1.00 0.00 H new ATOM 0 HH TYR C 15 1.282 18.103 -15.124 1.00 0.00 H new ATOM 2596 N SER C 16 -4.697 13.721 -9.317 1.00 0.00 N ATOM 2597 CA SER C 16 -5.092 13.139 -8.040 1.00 0.00 C ATOM 2598 C SER C 16 -6.255 12.160 -8.254 1.00 0.00 C ATOM 2599 O SER C 16 -7.411 12.529 -8.052 1.00 0.00 O ATOM 2600 CB SER C 16 -5.447 14.267 -7.064 1.00 0.00 C ATOM 2601 OG SER C 16 -5.741 13.744 -5.784 1.00 0.00 O ATOM 0 H SER C 16 -5.485 14.085 -9.853 1.00 0.00 H new ATOM 0 HA SER C 16 -4.270 12.570 -7.606 1.00 0.00 H new ATOM 0 HB2 SER C 16 -4.616 14.969 -6.994 1.00 0.00 H new ATOM 0 HB3 SER C 16 -6.305 14.825 -7.441 1.00 0.00 H new ATOM 0 HG SER C 16 -5.964 14.478 -5.174 1.00 0.00 H new ATOM 2607 N PRO C 17 -5.962 10.913 -8.664 1.00 0.00 N ATOM 2608 CA PRO C 17 -6.930 9.830 -8.789 1.00 0.00 C ATOM 2609 C PRO C 17 -7.703 9.579 -7.491 1.00 0.00 C ATOM 2610 O PRO C 17 -7.231 9.900 -6.402 1.00 0.00 O ATOM 2611 CB PRO C 17 -6.114 8.596 -9.185 1.00 0.00 C ATOM 2612 CG PRO C 17 -4.913 9.200 -9.898 1.00 0.00 C ATOM 2613 CD PRO C 17 -4.650 10.450 -9.074 1.00 0.00 C ATOM 0 HA PRO C 17 -7.690 10.079 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO C 17 -5.816 8.012 -8.314 1.00 0.00 H new ATOM 0 HB3 PRO C 17 -6.679 7.930 -9.837 1.00 0.00 H new ATOM 0 HG2 PRO C 17 -4.057 8.525 -9.899 1.00 0.00 H new ATOM 0 HG3 PRO C 17 -5.133 9.437 -10.939 1.00 0.00 H new ATOM 0 HD2 PRO C 17 -4.022 10.229 -8.211 1.00 0.00 H new ATOM 0 HD3 PRO C 17 -4.130 11.207 -9.661 1.00 0.00 H new TER 2621 PRO C 17 HETATM 2622 N NH2 C 18 -8.897 8.996 -7.602 1.00 0.00 N