USER MOD reduce.3.24.130724 H: found=0, std=0, add=1202, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1195 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 240 HIS HE2 : B 240 HIS NE2 : B 301 ZNZN :(H bumps) USER MOD NoAdj-H: B 242 HIS HD1 : B 242 HIS ND1 : B 301 ZNZN :(H bumps) USER MOD Set 1.1: B 228 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 238 LYS NZ :NH3+ -122:sc= 0.199! (180deg=-3.32!) USER MOD Set 2.1: B 218 THR OG1 : rot 41:sc= 0.941 USER MOD Set 2.2: B 246 LYS NZ :NH3+ 165:sc= -6.13! (180deg=-6.59!) USER MOD Set 3.1: A 98 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0.045) USER MOD Set 3.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 43 HIS : no HD1:sc= -3.15! C(o=-4.8!,f=-6.5!) USER MOD Set 4.2: A 76 THR OG1 : rot 51:sc= -1.66 USER MOD Set 5.1: A 51 TYR OH : rot -84:sc= 0.962 USER MOD Set 5.2: A 55 GLN : amide:sc= -6.13! C(o=-5.2!,f=-6.9!) USER MOD Single : A 0 SER OG : rot 119:sc= 0.769 USER MOD Single : A 1 MET CE :methyl -157:sc= -0.0761 (180deg=-0.744) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0964 K(o=-0.096,f=-0.84) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -168:sc=-0.00758 (180deg=-0.182) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0145) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= -0.0905 (180deg=-0.766) USER MOD Single : A 25 LYS NZ :NH3+ -118:sc= -0.597 (180deg=-2!) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 31 SER OG : rot 60:sc= 0.873 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.89 K(o=-1.9,f=-5.5!) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= -0.474 (180deg=-1.49) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 151:sc= -0.319 (180deg=-2.09) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -2.27! (180deg=-3.31!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.818 (180deg=-1.29) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 67:sc= -7.58! USER MOD Single : A 53 GLN : amide:sc= -1.07 K(o=-1.1,f=-3!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -6.55! C(o=-6.6!,f=-11!) USER MOD Single : A 61 SER OG : rot 130:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 74 ASN : amide:sc= -0.955! C(o=-0.95!,f=-6.8!) USER MOD Single : A 75 HIS : no HE2:sc= -7.72! C(o=-7.7!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -169:sc= 0 (180deg=-0.143) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -4.59! C(o=-4.6!,f=-4.1!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 95 THR OG1 : rot 126:sc= 1.15 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 202 GLN : amide:sc= -1.15 K(o=-1.2,f=-7.7!) USER MOD Single : B 207 TYR OH : rot 180:sc= 0 USER MOD Single : B 208 THR OG1 : rot 180:sc= 0 USER MOD Single : B 210 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.8!) USER MOD Single : B 213 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 214 HIS : no HE2:sc= -0.616 K(o=-0.62,f=-2.4) USER MOD Single : B 215 HIS : no HE2:sc= -0.0688 X(o=-0.069,f=-0.49) USER MOD Single : B 221 HIS : no HE2:sc= -8.24! C(o=-8.2!,f=-12!) USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 233 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : B 235 TYR OH : rot 180:sc= 0 USER MOD Single : B 236 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) USER MOD Single : B 237 THR OG1 : rot 79:sc= 0.958 USER MOD Single : B 239 SER OG : rot 180:sc= 0 USER MOD Single : B 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 MET CE :methyl 179:sc= -0.119 (180deg=-0.121) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 26.426 -15.019 -28.376 1.00 0.00 N ATOM 2 CA GLY A -1 25.682 -13.930 -29.072 1.00 0.00 C ATOM 3 C GLY A -1 24.270 -14.404 -29.397 1.00 0.00 C ATOM 4 O GLY A -1 23.310 -13.641 -29.298 1.00 0.00 O ATOM 0 H1 GLY A -1 27.307 -14.637 -27.976 1.00 0.00 H new ATOM 0 H2 GLY A -1 25.838 -15.407 -27.611 1.00 0.00 H new ATOM 0 H3 GLY A -1 26.653 -15.773 -29.055 1.00 0.00 H new ATOM 0 HA2 GLY A -1 25.642 -13.042 -28.441 1.00 0.00 H new ATOM 0 HA3 GLY A -1 26.202 -13.648 -29.988 1.00 0.00 H new ATOM 10 N SER A 0 24.150 -15.670 -29.784 1.00 0.00 N ATOM 11 CA SER A 0 22.848 -16.235 -30.122 1.00 0.00 C ATOM 12 C SER A 0 22.006 -16.425 -28.865 1.00 0.00 C ATOM 13 O SER A 0 22.532 -16.459 -27.753 1.00 0.00 O ATOM 14 CB SER A 0 23.030 -17.578 -30.828 1.00 0.00 C ATOM 15 OG SER A 0 23.552 -18.526 -29.906 1.00 0.00 O ATOM 0 H SER A 0 24.931 -16.320 -29.871 1.00 0.00 H new ATOM 0 HA SER A 0 22.333 -15.544 -30.789 1.00 0.00 H new ATOM 0 HB2 SER A 0 22.076 -17.926 -31.224 1.00 0.00 H new ATOM 0 HB3 SER A 0 23.706 -17.468 -31.676 1.00 0.00 H new ATOM 0 HG SER A 0 22.918 -19.267 -29.804 1.00 0.00 H new ATOM 21 N MET A 1 20.695 -16.543 -29.049 1.00 0.00 N ATOM 22 CA MET A 1 19.786 -16.725 -27.924 1.00 0.00 C ATOM 23 C MET A 1 20.072 -18.045 -27.213 1.00 0.00 C ATOM 24 O MET A 1 20.023 -18.127 -25.986 1.00 0.00 O ATOM 25 CB MET A 1 18.339 -16.710 -28.415 1.00 0.00 C ATOM 26 CG MET A 1 17.930 -15.277 -28.755 1.00 0.00 C ATOM 27 SD MET A 1 16.203 -15.260 -29.301 1.00 0.00 S ATOM 28 CE MET A 1 16.448 -16.049 -30.915 1.00 0.00 C ATOM 0 H MET A 1 20.240 -16.516 -29.962 1.00 0.00 H new ATOM 0 HA MET A 1 19.938 -15.906 -27.221 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.235 -17.347 -29.293 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.679 -17.115 -27.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.054 -14.635 -27.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.575 -14.879 -29.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.626 -15.782 -31.579 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.389 -15.709 -31.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.476 -17.131 -30.790 1.00 0.00 H new ATOM 38 N SER A 2 20.362 -19.074 -27.999 1.00 0.00 N ATOM 39 CA SER A 2 20.649 -20.396 -27.452 1.00 0.00 C ATOM 40 C SER A 2 21.757 -21.079 -28.243 1.00 0.00 C ATOM 41 O SER A 2 21.907 -20.857 -29.445 1.00 0.00 O ATOM 42 CB SER A 2 19.392 -21.265 -27.469 1.00 0.00 C ATOM 43 OG SER A 2 19.690 -22.537 -26.907 1.00 0.00 O ATOM 0 H SER A 2 20.405 -19.020 -29.017 1.00 0.00 H new ATOM 0 HA SER A 2 20.981 -20.270 -26.422 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.595 -20.783 -26.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.031 -21.382 -28.491 1.00 0.00 H new ATOM 0 HG SER A 2 18.885 -23.095 -26.915 1.00 0.00 H new ATOM 49 N ASP A 3 22.530 -21.906 -27.555 1.00 0.00 N ATOM 50 CA ASP A 3 23.629 -22.617 -28.190 1.00 0.00 C ATOM 51 C ASP A 3 23.099 -23.531 -29.283 1.00 0.00 C ATOM 52 O ASP A 3 23.727 -23.680 -30.333 1.00 0.00 O ATOM 53 CB ASP A 3 24.395 -23.451 -27.163 1.00 0.00 C ATOM 54 CG ASP A 3 25.460 -22.598 -26.484 1.00 0.00 C ATOM 55 OD1 ASP A 3 25.779 -21.550 -27.020 1.00 0.00 O1- ATOM 56 OD2 ASP A 3 25.942 -23.004 -25.440 1.00 0.00 O ATOM 0 H ASP A 3 22.417 -22.101 -26.560 1.00 0.00 H new ATOM 0 HA ASP A 3 24.304 -21.880 -28.626 1.00 0.00 H new ATOM 0 HB2 ASP A 3 23.705 -23.847 -26.417 1.00 0.00 H new ATOM 0 HB3 ASP A 3 24.861 -24.306 -27.652 1.00 0.00 H new ATOM 61 N GLN A 4 21.956 -24.160 -29.038 1.00 0.00 N ATOM 62 CA GLN A 4 21.395 -25.070 -30.024 1.00 0.00 C ATOM 63 C GLN A 4 21.121 -24.354 -31.335 1.00 0.00 C ATOM 64 O GLN A 4 21.509 -24.857 -32.384 1.00 0.00 O ATOM 65 CB GLN A 4 20.070 -25.629 -29.497 1.00 0.00 C ATOM 66 CG GLN A 4 19.488 -26.655 -30.482 1.00 0.00 C ATOM 67 CD GLN A 4 20.417 -27.859 -30.581 1.00 0.00 C ATOM 68 OE1 GLN A 4 20.979 -28.294 -29.576 1.00 0.00 O ATOM 69 NE2 GLN A 4 20.618 -28.422 -31.740 1.00 0.00 N ATOM 0 H GLN A 4 21.410 -24.059 -28.182 1.00 0.00 H new ATOM 0 HA GLN A 4 22.115 -25.869 -30.197 1.00 0.00 H new ATOM 0 HB2 GLN A 4 20.227 -26.098 -28.525 1.00 0.00 H new ATOM 0 HB3 GLN A 4 19.359 -24.816 -29.348 1.00 0.00 H new ATOM 0 HG2 GLN A 4 18.500 -26.973 -30.149 1.00 0.00 H new ATOM 0 HG3 GLN A 4 19.362 -26.199 -31.464 1.00 0.00 H new ATOM 0 HE21 GLN A 4 20.151 -28.059 -32.571 1.00 0.00 H new ATOM 0 HE22 GLN A 4 21.242 -29.225 -31.815 1.00 0.00 H new ATOM 78 N GLU A 5 20.478 -23.188 -31.261 1.00 0.00 N ATOM 79 CA GLU A 5 20.152 -22.404 -32.459 1.00 0.00 C ATOM 80 C GLU A 5 19.220 -21.246 -32.104 1.00 0.00 C ATOM 81 O GLU A 5 19.622 -20.083 -32.122 1.00 0.00 O ATOM 82 CB GLU A 5 19.468 -23.288 -33.526 1.00 0.00 C ATOM 83 CG GLU A 5 19.097 -22.445 -34.745 1.00 0.00 C ATOM 84 CD GLU A 5 18.460 -23.339 -35.802 1.00 0.00 C ATOM 85 OE1 GLU A 5 18.144 -24.472 -35.478 1.00 0.00 O1- ATOM 86 OE2 GLU A 5 18.310 -22.882 -36.922 1.00 0.00 O ATOM 0 H GLU A 5 20.172 -22.763 -30.386 1.00 0.00 H new ATOM 0 HA GLU A 5 21.086 -22.012 -32.861 1.00 0.00 H new ATOM 0 HB2 GLU A 5 20.136 -24.097 -33.823 1.00 0.00 H new ATOM 0 HB3 GLU A 5 18.574 -23.751 -33.108 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.405 -21.654 -34.457 1.00 0.00 H new ATOM 0 HG3 GLU A 5 19.985 -21.960 -35.150 1.00 0.00 H new ATOM 93 N ALA A 6 17.964 -21.575 -31.801 1.00 0.00 N ATOM 94 CA ALA A 6 16.976 -20.555 -31.468 1.00 0.00 C ATOM 95 C ALA A 6 15.932 -21.101 -30.505 1.00 0.00 C ATOM 96 O ALA A 6 15.662 -22.301 -30.485 1.00 0.00 O ATOM 97 CB ALA A 6 16.285 -20.081 -32.739 1.00 0.00 C ATOM 0 H ALA A 6 17.611 -22.532 -31.780 1.00 0.00 H new ATOM 0 HA ALA A 6 17.491 -19.723 -30.988 1.00 0.00 H new ATOM 0 HB1 ALA A 6 15.547 -19.319 -32.489 1.00 0.00 H new ATOM 0 HB2 ALA A 6 17.025 -19.660 -33.420 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.788 -20.924 -33.219 1.00 0.00 H new ATOM 103 N LYS A 7 15.351 -20.214 -29.705 1.00 0.00 N ATOM 104 CA LYS A 7 14.341 -20.636 -28.745 1.00 0.00 C ATOM 105 C LYS A 7 12.979 -20.803 -29.424 1.00 0.00 C ATOM 106 O LYS A 7 12.664 -20.083 -30.369 1.00 0.00 O ATOM 107 CB LYS A 7 14.233 -19.611 -27.618 1.00 0.00 C ATOM 108 CG LYS A 7 15.305 -19.904 -26.575 1.00 0.00 C ATOM 109 CD LYS A 7 15.166 -18.931 -25.411 1.00 0.00 C ATOM 110 CE LYS A 7 16.171 -19.301 -24.320 1.00 0.00 C ATOM 111 NZ LYS A 7 15.636 -18.889 -22.994 1.00 0.00 N1+ ATOM 0 H LYS A 7 15.558 -19.215 -29.701 1.00 0.00 H new ATOM 0 HA LYS A 7 14.642 -21.599 -28.333 1.00 0.00 H new ATOM 0 HB2 LYS A 7 14.358 -18.603 -28.013 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.243 -19.655 -27.163 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.209 -20.929 -26.218 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.295 -19.813 -27.021 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.341 -17.911 -25.752 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.152 -18.964 -25.013 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.358 -20.375 -24.331 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.126 -18.810 -24.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.319 -19.140 -22.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.479 -17.861 -22.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 14.735 -19.378 -22.816 1.00 0.00 H new ATOM 125 N PRO A 8 12.165 -21.722 -28.957 1.00 0.00 N ATOM 126 CA PRO A 8 10.809 -21.958 -29.540 1.00 0.00 C ATOM 127 C PRO A 8 9.878 -20.764 -29.350 1.00 0.00 C ATOM 128 O PRO A 8 8.931 -20.574 -30.112 1.00 0.00 O ATOM 129 CB PRO A 8 10.341 -23.191 -28.873 1.00 0.00 C ATOM 130 CG PRO A 8 11.098 -23.317 -27.597 1.00 0.00 C ATOM 131 CD PRO A 8 12.438 -22.639 -27.835 1.00 0.00 C ATOM 0 HA PRO A 8 10.831 -22.077 -30.623 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.269 -23.141 -28.681 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.511 -24.060 -29.508 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.561 -22.842 -26.776 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.233 -24.364 -27.326 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.778 -22.101 -26.950 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.214 -23.361 -28.087 1.00 0.00 H new ATOM 139 N SER A 9 10.142 -19.975 -28.315 1.00 0.00 N ATOM 140 CA SER A 9 9.316 -18.809 -28.009 1.00 0.00 C ATOM 141 C SER A 9 7.870 -19.226 -27.713 1.00 0.00 C ATOM 142 O SER A 9 7.125 -18.489 -27.067 1.00 0.00 O ATOM 143 CB SER A 9 9.327 -17.842 -29.193 1.00 0.00 C ATOM 144 OG SER A 9 10.632 -17.806 -29.755 1.00 0.00 O ATOM 0 H SER A 9 10.921 -20.120 -27.673 1.00 0.00 H new ATOM 0 HA SER A 9 9.729 -18.321 -27.126 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.603 -18.159 -29.944 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.031 -16.845 -28.866 1.00 0.00 H new ATOM 0 HG SER A 9 10.644 -17.188 -30.516 1.00 0.00 H new ATOM 150 N THR A 10 7.483 -20.412 -28.179 1.00 0.00 N ATOM 151 CA THR A 10 6.140 -20.916 -27.951 1.00 0.00 C ATOM 152 C THR A 10 5.890 -21.117 -26.462 1.00 0.00 C ATOM 153 O THR A 10 4.836 -20.750 -25.943 1.00 0.00 O ATOM 154 CB THR A 10 5.954 -22.243 -28.692 1.00 0.00 C ATOM 155 OG1 THR A 10 6.392 -22.097 -30.035 1.00 0.00 O ATOM 156 CG2 THR A 10 4.478 -22.633 -28.675 1.00 0.00 C ATOM 0 H THR A 10 8.084 -21.038 -28.716 1.00 0.00 H new ATOM 0 HA THR A 10 5.424 -20.186 -28.328 1.00 0.00 H new ATOM 0 HB THR A 10 6.539 -23.021 -28.201 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.276 -22.946 -30.511 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.345 -23.578 -29.202 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.143 -22.743 -27.644 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.891 -21.857 -29.167 1.00 0.00 H new ATOM 164 N GLU A 11 6.864 -21.716 -25.782 1.00 0.00 N ATOM 165 CA GLU A 11 6.735 -21.974 -24.354 1.00 0.00 C ATOM 166 C GLU A 11 6.618 -20.662 -23.588 1.00 0.00 C ATOM 167 O GLU A 11 5.807 -20.539 -22.669 1.00 0.00 O ATOM 168 CB GLU A 11 7.952 -22.757 -23.852 1.00 0.00 C ATOM 169 CG GLU A 11 7.777 -23.081 -22.364 1.00 0.00 C ATOM 170 CD GLU A 11 8.964 -23.897 -21.863 1.00 0.00 C ATOM 171 OE1 GLU A 11 9.947 -23.981 -22.580 1.00 0.00 O ATOM 172 OE2 GLU A 11 8.873 -24.425 -20.766 1.00 0.00 O1- ATOM 0 H GLU A 11 7.743 -22.029 -26.194 1.00 0.00 H new ATOM 0 HA GLU A 11 5.833 -22.563 -24.187 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.066 -23.678 -24.424 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.860 -22.173 -24.003 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.692 -22.158 -21.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.852 -23.638 -22.211 1.00 0.00 H new ATOM 179 N ASP A 12 7.427 -19.680 -23.970 1.00 0.00 N ATOM 180 CA ASP A 12 7.397 -18.382 -23.309 1.00 0.00 C ATOM 181 C ASP A 12 6.449 -17.437 -24.038 1.00 0.00 C ATOM 182 O ASP A 12 6.780 -16.920 -25.104 1.00 0.00 O ATOM 183 CB ASP A 12 8.802 -17.780 -23.283 1.00 0.00 C ATOM 184 CG ASP A 12 8.790 -16.457 -22.524 1.00 0.00 C ATOM 185 OD1 ASP A 12 7.713 -16.005 -22.176 1.00 0.00 O1- ATOM 186 OD2 ASP A 12 9.861 -15.915 -22.303 1.00 0.00 O ATOM 0 H ASP A 12 8.106 -19.757 -24.727 1.00 0.00 H new ATOM 0 HA ASP A 12 7.042 -18.519 -22.287 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.495 -18.474 -22.808 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.157 -17.621 -24.301 1.00 0.00 H new ATOM 191 N LEU A 13 5.275 -17.207 -23.452 1.00 0.00 N ATOM 192 CA LEU A 13 4.293 -16.313 -24.055 1.00 0.00 C ATOM 193 C LEU A 13 4.115 -15.066 -23.201 1.00 0.00 C ATOM 194 O LEU A 13 3.867 -15.153 -21.998 1.00 0.00 O ATOM 195 CB LEU A 13 2.952 -17.039 -24.192 1.00 0.00 C ATOM 196 CG LEU A 13 3.131 -18.297 -25.051 1.00 0.00 C ATOM 197 CD1 LEU A 13 1.806 -19.056 -25.133 1.00 0.00 C ATOM 198 CD2 LEU A 13 3.581 -17.906 -26.463 1.00 0.00 C ATOM 0 H LEU A 13 4.984 -17.624 -22.568 1.00 0.00 H new ATOM 0 HA LEU A 13 4.649 -16.015 -25.041 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.572 -17.310 -23.207 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.214 -16.378 -24.647 1.00 0.00 H new ATOM 0 HG LEU A 13 3.889 -18.934 -24.595 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.936 -19.949 -25.744 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.489 -19.345 -24.131 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.047 -18.416 -25.583 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.706 -18.805 -27.067 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.828 -17.264 -26.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.529 -17.371 -26.408 1.00 0.00 H new ATOM 210 N GLY A 14 4.237 -13.902 -23.833 1.00 0.00 N ATOM 211 CA GLY A 14 4.083 -12.640 -23.128 1.00 0.00 C ATOM 212 C GLY A 14 5.349 -12.290 -22.355 1.00 0.00 C ATOM 213 O GLY A 14 6.319 -13.050 -22.358 1.00 0.00 O ATOM 0 H GLY A 14 4.441 -13.810 -24.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.856 -11.847 -23.840 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.239 -12.703 -22.441 1.00 0.00 H new ATOM 217 N ASP A 15 5.331 -11.145 -21.685 1.00 0.00 N ATOM 218 CA ASP A 15 6.479 -10.715 -20.897 1.00 0.00 C ATOM 219 C ASP A 15 6.025 -9.975 -19.644 1.00 0.00 C ATOM 220 O ASP A 15 5.684 -8.792 -19.704 1.00 0.00 O ATOM 221 CB ASP A 15 7.375 -9.803 -21.735 1.00 0.00 C ATOM 222 CG ASP A 15 8.629 -9.435 -20.951 1.00 0.00 C ATOM 223 OD1 ASP A 15 8.692 -9.769 -19.780 1.00 0.00 O1- ATOM 224 OD2 ASP A 15 9.508 -8.821 -21.534 1.00 0.00 O ATOM 0 H ASP A 15 4.540 -10.501 -21.671 1.00 0.00 H new ATOM 0 HA ASP A 15 7.040 -11.600 -20.597 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.651 -10.304 -22.663 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.831 -8.900 -22.011 1.00 0.00 H new ATOM 229 N LYS A 16 6.027 -10.671 -18.510 1.00 0.00 N ATOM 230 CA LYS A 16 5.618 -10.061 -17.248 1.00 0.00 C ATOM 231 C LYS A 16 6.653 -10.329 -16.161 1.00 0.00 C ATOM 232 O LYS A 16 7.244 -11.408 -16.106 1.00 0.00 O ATOM 233 CB LYS A 16 4.261 -10.621 -16.817 1.00 0.00 C ATOM 234 CG LYS A 16 3.187 -10.175 -17.808 1.00 0.00 C ATOM 235 CD LYS A 16 1.833 -10.747 -17.386 1.00 0.00 C ATOM 236 CE LYS A 16 0.757 -10.299 -18.377 1.00 0.00 C ATOM 237 NZ LYS A 16 -0.560 -10.867 -17.970 1.00 0.00 N1+ ATOM 0 H LYS A 16 6.305 -11.650 -18.439 1.00 0.00 H new ATOM 0 HA LYS A 16 5.537 -8.984 -17.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.302 -11.709 -16.774 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.013 -10.272 -15.815 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.139 -9.087 -17.843 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.440 -10.515 -18.812 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.881 -11.835 -17.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.581 -10.408 -16.381 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.703 -9.211 -18.404 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.013 -10.631 -19.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.292 -10.563 -18.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.504 -11.905 -17.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.804 -10.529 -17.017 1.00 0.00 H new ATOM 251 N LYS A 17 6.865 -9.346 -15.292 1.00 0.00 N ATOM 252 CA LYS A 17 7.825 -9.500 -14.207 1.00 0.00 C ATOM 253 C LYS A 17 7.420 -10.640 -13.280 1.00 0.00 C ATOM 254 O LYS A 17 8.250 -11.464 -12.897 1.00 0.00 O ATOM 255 CB LYS A 17 7.921 -8.194 -13.411 1.00 0.00 C ATOM 256 CG LYS A 17 9.020 -8.308 -12.351 1.00 0.00 C ATOM 257 CD LYS A 17 9.137 -6.990 -11.586 1.00 0.00 C ATOM 258 CE LYS A 17 10.234 -7.115 -10.529 1.00 0.00 C ATOM 259 NZ LYS A 17 11.565 -6.971 -11.170 1.00 0.00 N1+ ATOM 0 H LYS A 17 6.390 -8.444 -15.317 1.00 0.00 H new ATOM 0 HA LYS A 17 8.797 -9.737 -14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.137 -7.364 -14.083 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.965 -7.978 -12.934 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.791 -9.121 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.971 -8.550 -12.824 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.369 -6.177 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.186 -6.745 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.104 -6.350 -9.763 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.163 -8.081 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.303 -6.955 -10.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.731 -7.773 -11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.595 -6.084 -11.712 1.00 0.00 H new ATOM 273 N GLU A 18 6.143 -10.678 -12.919 1.00 0.00 N ATOM 274 CA GLU A 18 5.642 -11.718 -12.031 1.00 0.00 C ATOM 275 C GLU A 18 6.544 -11.859 -10.810 1.00 0.00 C ATOM 276 O GLU A 18 6.663 -12.942 -10.236 1.00 0.00 O ATOM 277 CB GLU A 18 5.579 -13.053 -12.773 1.00 0.00 C ATOM 278 CG GLU A 18 4.555 -12.958 -13.902 1.00 0.00 C ATOM 279 CD GLU A 18 3.159 -12.746 -13.327 1.00 0.00 C ATOM 280 OE1 GLU A 18 2.968 -13.051 -12.162 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 2.301 -12.282 -14.059 1.00 0.00 O ATOM 0 H GLU A 18 5.440 -10.005 -13.225 1.00 0.00 H new ATOM 0 HA GLU A 18 4.642 -11.436 -11.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.560 -13.304 -13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.304 -13.852 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.812 -12.134 -14.568 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.576 -13.869 -14.500 1.00 0.00 H new ATOM 288 N GLY A 19 7.173 -10.755 -10.419 1.00 0.00 N ATOM 289 CA GLY A 19 8.064 -10.753 -9.261 1.00 0.00 C ATOM 290 C GLY A 19 7.570 -9.788 -8.191 1.00 0.00 C ATOM 291 O GLY A 19 7.229 -10.198 -7.081 1.00 0.00 O ATOM 0 H GLY A 19 7.083 -9.852 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.129 -11.759 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.070 -10.472 -9.573 1.00 0.00 H new ATOM 295 N GLU A 20 7.541 -8.503 -8.527 1.00 0.00 N ATOM 296 CA GLU A 20 7.096 -7.490 -7.583 1.00 0.00 C ATOM 297 C GLU A 20 5.635 -7.727 -7.199 1.00 0.00 C ATOM 298 O GLU A 20 5.257 -7.581 -6.036 1.00 0.00 O ATOM 299 CB GLU A 20 7.247 -6.094 -8.202 1.00 0.00 C ATOM 300 CG GLU A 20 6.802 -5.017 -7.202 1.00 0.00 C ATOM 301 CD GLU A 20 7.730 -5.025 -5.994 1.00 0.00 C ATOM 302 OE1 GLU A 20 8.830 -5.537 -6.120 1.00 0.00 O ATOM 303 OE2 GLU A 20 7.327 -4.523 -4.957 1.00 0.00 O1- ATOM 0 H GLU A 20 7.819 -8.142 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 20 7.713 -7.555 -6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.285 -5.926 -8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.649 -6.025 -9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.817 -4.036 -7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.775 -5.202 -6.886 1.00 0.00 H new ATOM 310 N TYR A 21 4.816 -8.082 -8.192 1.00 0.00 N ATOM 311 CA TYR A 21 3.388 -8.324 -7.962 1.00 0.00 C ATOM 312 C TYR A 21 3.144 -9.808 -7.713 1.00 0.00 C ATOM 313 O TYR A 21 3.937 -10.644 -8.139 1.00 0.00 O ATOM 314 CB TYR A 21 2.566 -7.840 -9.151 1.00 0.00 C ATOM 315 CG TYR A 21 2.751 -6.348 -9.312 1.00 0.00 C ATOM 316 CD1 TYR A 21 1.905 -5.449 -8.642 1.00 0.00 C ATOM 317 CD2 TYR A 21 3.770 -5.863 -10.141 1.00 0.00 C ATOM 318 CE1 TYR A 21 2.081 -4.067 -8.812 1.00 0.00 C ATOM 319 CE2 TYR A 21 3.944 -4.486 -10.305 1.00 0.00 C ATOM 320 CZ TYR A 21 3.101 -3.588 -9.642 1.00 0.00 C ATOM 321 OH TYR A 21 3.271 -2.229 -9.809 1.00 0.00 O ATOM 0 H TYR A 21 5.115 -8.208 -9.159 1.00 0.00 H new ATOM 0 HA TYR A 21 3.075 -7.764 -7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.879 -8.357 -10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.512 -8.073 -8.998 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.121 -5.820 -7.998 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.422 -6.554 -10.654 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.429 -3.373 -8.302 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.731 -4.115 -10.945 1.00 0.00 H new ATOM 0 HH TYR A 21 4.023 -2.066 -10.415 1.00 0.00 H new ATOM 331 N ILE A 22 2.058 -10.140 -7.007 1.00 0.00 N ATOM 332 CA ILE A 22 1.747 -11.530 -6.695 1.00 0.00 C ATOM 333 C ILE A 22 0.285 -11.791 -6.989 1.00 0.00 C ATOM 334 O ILE A 22 -0.479 -10.851 -7.178 1.00 0.00 O ATOM 335 CB ILE A 22 2.033 -11.816 -5.219 1.00 0.00 C ATOM 336 CG1 ILE A 22 1.088 -11.002 -4.314 1.00 0.00 C ATOM 337 CG2 ILE A 22 3.479 -11.432 -4.916 1.00 0.00 C ATOM 338 CD1 ILE A 22 1.347 -11.355 -2.857 1.00 0.00 C ATOM 0 H ILE A 22 1.385 -9.465 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 22 2.369 -12.183 -7.307 1.00 0.00 H new ATOM 0 HB ILE A 22 1.872 -12.876 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.245 -9.935 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.050 -11.214 -4.571 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.696 -11.631 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.150 -12.019 -5.543 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.625 -10.372 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.678 -10.778 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.168 -12.419 -2.703 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.381 -11.121 -2.604 1.00 0.00 H new ATOM 350 N LYS A 23 -0.115 -13.054 -6.995 1.00 0.00 N ATOM 351 CA LYS A 23 -1.514 -13.381 -7.237 1.00 0.00 C ATOM 352 C LYS A 23 -2.216 -13.731 -5.944 1.00 0.00 C ATOM 353 O LYS A 23 -2.174 -14.882 -5.505 1.00 0.00 O ATOM 354 CB LYS A 23 -1.594 -14.560 -8.208 1.00 0.00 C ATOM 355 CG LYS A 23 -3.047 -14.854 -8.579 1.00 0.00 C ATOM 356 CD LYS A 23 -3.081 -15.959 -9.632 1.00 0.00 C ATOM 357 CE LYS A 23 -4.528 -16.238 -10.008 1.00 0.00 C ATOM 358 NZ LYS A 23 -5.119 -15.018 -10.630 1.00 0.00 N1+ ATOM 0 H LYS A 23 0.495 -13.856 -6.838 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.010 -12.512 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.021 -14.336 -9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.143 -15.443 -7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.606 -15.160 -7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.526 -13.954 -8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.514 -15.658 -10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.611 -16.863 -9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.580 -17.076 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.098 -16.522 -9.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.928 -15.289 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.440 -14.369 -9.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.402 -14.545 -11.216 1.00 0.00 H new ATOM 372 N LEU A 24 -2.891 -12.740 -5.346 1.00 0.00 N ATOM 373 CA LEU A 24 -3.628 -12.959 -4.114 1.00 0.00 C ATOM 374 C LEU A 24 -5.125 -12.854 -4.360 1.00 0.00 C ATOM 375 O LEU A 24 -5.613 -11.875 -4.926 1.00 0.00 O ATOM 376 CB LEU A 24 -3.180 -11.975 -3.024 1.00 0.00 C ATOM 377 CG LEU A 24 -4.078 -12.119 -1.785 1.00 0.00 C ATOM 378 CD1 LEU A 24 -4.062 -13.551 -1.286 1.00 0.00 C ATOM 379 CD2 LEU A 24 -3.527 -11.242 -0.666 1.00 0.00 C ATOM 0 H LEU A 24 -2.936 -11.785 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.411 -13.968 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.141 -12.166 -2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.229 -10.954 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.092 -11.827 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.702 -13.638 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.429 -14.214 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.043 -13.833 -1.021 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.159 -11.339 0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.513 -11.558 -0.422 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.515 -10.202 -0.991 1.00 0.00 H new ATOM 391 N LYS A 25 -5.834 -13.893 -3.948 1.00 0.00 N ATOM 392 CA LYS A 25 -7.276 -13.970 -4.133 1.00 0.00 C ATOM 393 C LYS A 25 -7.982 -14.595 -2.938 1.00 0.00 C ATOM 394 O LYS A 25 -7.351 -15.188 -2.062 1.00 0.00 O ATOM 395 CB LYS A 25 -7.576 -14.741 -5.415 1.00 0.00 C ATOM 396 CG LYS A 25 -6.654 -15.958 -5.520 1.00 0.00 C ATOM 397 CD LYS A 25 -6.920 -16.674 -6.840 1.00 0.00 C ATOM 398 CE LYS A 25 -5.933 -17.829 -6.984 1.00 0.00 C ATOM 399 NZ LYS A 25 -6.182 -18.547 -8.265 1.00 0.00 N1+ ATOM 0 H LYS A 25 -5.430 -14.703 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.664 -12.955 -4.218 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.618 -15.062 -5.421 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.437 -14.093 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.611 -15.645 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.828 -16.635 -4.683 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.944 -17.048 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.812 -15.980 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.911 -17.451 -6.961 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.038 -18.516 -6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.453 -19.531 -8.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.950 -18.075 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.317 -18.537 -8.842 1.00 0.00 H new ATOM 413 N VAL A 26 -9.302 -14.455 -2.923 1.00 0.00 N ATOM 414 CA VAL A 26 -10.098 -15.018 -1.840 1.00 0.00 C ATOM 415 C VAL A 26 -11.324 -15.745 -2.378 1.00 0.00 C ATOM 416 O VAL A 26 -11.835 -15.414 -3.449 1.00 0.00 O ATOM 417 CB VAL A 26 -10.541 -13.899 -0.897 1.00 0.00 C ATOM 418 CG1 VAL A 26 -9.304 -13.203 -0.327 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.392 -12.886 -1.665 1.00 0.00 C ATOM 0 H VAL A 26 -9.838 -13.963 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.482 -15.738 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.132 -14.319 -0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.614 -12.404 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.700 -13.926 0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.715 -12.783 -1.142 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.706 -12.089 -0.991 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.805 -12.461 -2.480 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.271 -13.384 -2.073 1.00 0.00 H new ATOM 429 N ILE A 27 -11.790 -16.732 -1.622 1.00 0.00 N ATOM 430 CA ILE A 27 -12.961 -17.501 -2.019 1.00 0.00 C ATOM 431 C ILE A 27 -13.781 -17.945 -0.798 1.00 0.00 C ATOM 432 O ILE A 27 -13.560 -19.011 -0.230 1.00 0.00 O ATOM 433 CB ILE A 27 -12.517 -18.716 -2.848 1.00 0.00 C ATOM 434 CG1 ILE A 27 -11.382 -19.464 -2.121 1.00 0.00 C ATOM 435 CG2 ILE A 27 -12.032 -18.264 -4.230 1.00 0.00 C ATOM 436 CD1 ILE A 27 -11.091 -20.778 -2.839 1.00 0.00 C ATOM 0 H ILE A 27 -11.376 -17.017 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.605 -16.866 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 27 -13.368 -19.385 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -10.484 -18.846 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -11.666 -19.658 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -11.720 -19.134 -4.808 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -12.842 -17.753 -4.751 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.189 -17.583 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.288 -21.305 -2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.988 -21.397 -2.842 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.789 -20.572 -3.866 1.00 0.00 H new ATOM 448 N GLY A 28 -14.744 -17.137 -0.398 1.00 0.00 N ATOM 449 CA GLY A 28 -15.577 -17.485 0.744 1.00 0.00 C ATOM 450 C GLY A 28 -16.494 -18.648 0.402 1.00 0.00 C ATOM 451 O GLY A 28 -16.704 -18.971 -0.769 1.00 0.00 O ATOM 0 H GLY A 28 -14.970 -16.245 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.947 -17.749 1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.171 -16.622 1.044 1.00 0.00 H new ATOM 455 N GLN A 29 -17.029 -19.273 1.436 1.00 0.00 N ATOM 456 CA GLN A 29 -17.924 -20.406 1.267 1.00 0.00 C ATOM 457 C GLN A 29 -19.175 -19.982 0.514 1.00 0.00 C ATOM 458 O GLN A 29 -19.724 -20.753 -0.272 1.00 0.00 O ATOM 459 CB GLN A 29 -18.320 -20.993 2.622 1.00 0.00 C ATOM 460 CG GLN A 29 -19.166 -22.251 2.408 1.00 0.00 C ATOM 461 CD GLN A 29 -19.498 -22.893 3.750 1.00 0.00 C ATOM 462 OE1 GLN A 29 -18.888 -22.557 4.766 1.00 0.00 O ATOM 463 NE2 GLN A 29 -20.428 -23.806 3.819 1.00 0.00 N ATOM 0 H GLN A 29 -16.858 -19.014 2.408 1.00 0.00 H new ATOM 0 HA GLN A 29 -17.397 -21.168 0.693 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.428 -21.236 3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.882 -20.258 3.198 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.085 -21.995 1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.626 -22.960 1.781 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.933 -24.084 2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.650 -24.241 4.714 1.00 0.00 H new ATOM 472 N ASP A 30 -19.652 -18.774 0.792 1.00 0.00 N ATOM 473 CA ASP A 30 -20.880 -18.308 0.165 1.00 0.00 C ATOM 474 C ASP A 30 -20.827 -18.442 -1.353 1.00 0.00 C ATOM 475 O ASP A 30 -21.715 -19.062 -1.932 1.00 0.00 O ATOM 476 CB ASP A 30 -21.076 -16.828 0.499 1.00 0.00 C ATOM 477 CG ASP A 30 -19.854 -16.018 0.054 1.00 0.00 C ATOM 478 OD1 ASP A 30 -18.805 -16.610 -0.134 1.00 0.00 O1- ATOM 479 OD2 ASP A 30 -19.978 -14.808 -0.053 1.00 0.00 O ATOM 0 H ASP A 30 -19.217 -18.112 1.434 1.00 0.00 H new ATOM 0 HA ASP A 30 -21.700 -18.919 0.543 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.971 -16.451 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.231 -16.707 1.571 1.00 0.00 H new ATOM 484 N SER A 31 -19.772 -17.904 -1.968 1.00 0.00 N ATOM 485 CA SER A 31 -19.587 -17.985 -3.426 1.00 0.00 C ATOM 486 C SER A 31 -18.852 -16.757 -3.959 1.00 0.00 C ATOM 487 O SER A 31 -19.395 -15.998 -4.763 1.00 0.00 O ATOM 488 CB SER A 31 -20.938 -18.106 -4.153 1.00 0.00 C ATOM 489 OG SER A 31 -21.332 -19.471 -4.189 1.00 0.00 O ATOM 0 H SER A 31 -19.028 -17.405 -1.481 1.00 0.00 H new ATOM 0 HA SER A 31 -18.990 -18.877 -3.619 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.694 -17.511 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.855 -17.713 -5.166 1.00 0.00 H new ATOM 0 HG SER A 31 -21.413 -19.812 -3.274 1.00 0.00 H new ATOM 495 N SER A 32 -17.620 -16.558 -3.507 1.00 0.00 N ATOM 496 CA SER A 32 -16.833 -15.413 -3.954 1.00 0.00 C ATOM 497 C SER A 32 -15.669 -15.878 -4.823 1.00 0.00 C ATOM 498 O SER A 32 -15.002 -16.860 -4.509 1.00 0.00 O ATOM 499 CB SER A 32 -16.291 -14.652 -2.743 1.00 0.00 C ATOM 500 OG SER A 32 -17.379 -14.137 -1.987 1.00 0.00 O ATOM 0 H SER A 32 -17.147 -17.166 -2.839 1.00 0.00 H new ATOM 0 HA SER A 32 -17.475 -14.756 -4.541 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.684 -15.314 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.643 -13.839 -3.070 1.00 0.00 H new ATOM 0 HG SER A 32 -17.035 -13.650 -1.209 1.00 0.00 H new ATOM 506 N GLU A 33 -15.426 -15.159 -5.915 1.00 0.00 N ATOM 507 CA GLU A 33 -14.330 -15.505 -6.809 1.00 0.00 C ATOM 508 C GLU A 33 -13.661 -14.234 -7.310 1.00 0.00 C ATOM 509 O GLU A 33 -14.199 -13.558 -8.184 1.00 0.00 O ATOM 510 CB GLU A 33 -14.868 -16.308 -7.995 1.00 0.00 C ATOM 511 CG GLU A 33 -13.708 -16.731 -8.899 1.00 0.00 C ATOM 512 CD GLU A 33 -14.228 -17.586 -10.049 1.00 0.00 C ATOM 513 OE1 GLU A 33 -15.382 -17.979 -9.994 1.00 0.00 O1- ATOM 514 OE2 GLU A 33 -13.468 -17.831 -10.970 1.00 0.00 O ATOM 0 H GLU A 33 -15.967 -14.342 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.599 -16.108 -6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.403 -17.188 -7.638 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.582 -15.708 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.201 -15.849 -9.291 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.972 -17.291 -8.322 1.00 0.00 H new ATOM 521 N ILE A 34 -12.486 -13.927 -6.770 1.00 0.00 N ATOM 522 CA ILE A 34 -11.757 -12.727 -7.180 1.00 0.00 C ATOM 523 C ILE A 34 -10.362 -13.096 -7.654 1.00 0.00 C ATOM 524 O ILE A 34 -9.637 -13.793 -6.955 1.00 0.00 O ATOM 525 CB ILE A 34 -11.655 -11.766 -5.997 1.00 0.00 C ATOM 526 CG1 ILE A 34 -13.066 -11.454 -5.483 1.00 0.00 C ATOM 527 CG2 ILE A 34 -10.966 -10.470 -6.433 1.00 0.00 C ATOM 528 CD1 ILE A 34 -13.936 -10.810 -6.578 1.00 0.00 C ATOM 0 H ILE A 34 -12.020 -14.485 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.294 -12.248 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 34 -11.067 -12.227 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -13.539 -12.372 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -13.002 -10.783 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -10.898 -9.791 -5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.964 -10.696 -6.799 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -11.545 -10.000 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -14.929 -10.603 -6.179 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -13.476 -9.879 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.020 -11.492 -7.424 1.00 0.00 H new ATOM 540 N HIS A 35 -9.986 -12.629 -8.840 1.00 0.00 N ATOM 541 CA HIS A 35 -8.659 -12.927 -9.371 1.00 0.00 C ATOM 542 C HIS A 35 -7.931 -11.654 -9.792 1.00 0.00 C ATOM 543 O HIS A 35 -8.236 -11.076 -10.835 1.00 0.00 O ATOM 544 CB HIS A 35 -8.800 -13.846 -10.581 1.00 0.00 C ATOM 545 CG HIS A 35 -9.459 -15.129 -10.159 1.00 0.00 C ATOM 546 ND1 HIS A 35 -8.800 -16.081 -9.402 1.00 0.00 N ATOM 547 CD2 HIS A 35 -10.718 -15.630 -10.377 1.00 0.00 C ATOM 548 CE1 HIS A 35 -9.655 -17.099 -9.193 1.00 0.00 C ATOM 549 NE2 HIS A 35 -10.839 -16.875 -9.767 1.00 0.00 N ATOM 0 H HIS A 35 -10.570 -12.051 -9.444 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.077 -13.412 -8.587 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.392 -13.358 -11.355 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.820 -14.052 -11.011 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -11.497 -15.133 -10.937 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -9.413 -17.988 -8.630 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.656 -17.485 -9.760 1.00 0.00 H new ATOM 557 N PHE A 36 -6.960 -11.220 -8.991 1.00 0.00 N ATOM 558 CA PHE A 36 -6.204 -10.022 -9.321 1.00 0.00 C ATOM 559 C PHE A 36 -4.856 -10.066 -8.619 1.00 0.00 C ATOM 560 O PHE A 36 -4.674 -10.817 -7.660 1.00 0.00 O ATOM 561 CB PHE A 36 -6.993 -8.779 -8.897 1.00 0.00 C ATOM 562 CG PHE A 36 -7.012 -8.657 -7.393 1.00 0.00 C ATOM 563 CD1 PHE A 36 -7.654 -9.627 -6.618 1.00 0.00 C ATOM 564 CD2 PHE A 36 -6.361 -7.586 -6.771 1.00 0.00 C ATOM 565 CE1 PHE A 36 -7.661 -9.519 -5.223 1.00 0.00 C ATOM 566 CE2 PHE A 36 -6.371 -7.471 -5.381 1.00 0.00 C ATOM 567 CZ PHE A 36 -7.017 -8.445 -4.604 1.00 0.00 C ATOM 0 H PHE A 36 -6.683 -11.675 -8.121 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.039 -9.976 -10.397 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.543 -7.888 -9.335 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.013 -8.841 -9.276 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.145 -10.461 -7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.849 -6.846 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.164 -10.265 -4.626 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.883 -6.634 -4.904 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.016 -8.364 -3.527 1.00 0.00 H new ATOM 577 N LYS A 37 -3.925 -9.251 -9.088 1.00 0.00 N ATOM 578 CA LYS A 37 -2.593 -9.194 -8.494 1.00 0.00 C ATOM 579 C LYS A 37 -2.331 -7.889 -7.740 1.00 0.00 C ATOM 580 O LYS A 37 -2.736 -6.810 -8.175 1.00 0.00 O ATOM 581 CB LYS A 37 -1.528 -9.337 -9.577 1.00 0.00 C ATOM 582 CG LYS A 37 -1.628 -10.697 -10.278 1.00 0.00 C ATOM 583 CD LYS A 37 -0.593 -10.744 -11.399 1.00 0.00 C ATOM 584 CE LYS A 37 -0.765 -12.030 -12.185 1.00 0.00 C ATOM 585 NZ LYS A 37 -0.523 -13.191 -11.287 1.00 0.00 N1+ ATOM 0 H LYS A 37 -4.064 -8.620 -9.877 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.544 -10.017 -7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.641 -8.538 -10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.538 -9.225 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.452 -11.503 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.630 -10.842 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.713 -9.883 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.413 -10.690 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.770 -12.082 -12.603 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.069 -12.053 -13.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.084 -13.884 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.053 -12.866 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.431 -13.636 -11.043 1.00 0.00 H new ATOM 599 N VAL A 38 -1.667 -8.012 -6.586 1.00 0.00 N ATOM 600 CA VAL A 38 -1.359 -6.855 -5.747 1.00 0.00 C ATOM 601 C VAL A 38 0.127 -6.830 -5.419 1.00 0.00 C ATOM 602 O VAL A 38 0.756 -7.870 -5.246 1.00 0.00 O ATOM 603 CB VAL A 38 -2.151 -6.914 -4.431 1.00 0.00 C ATOM 604 CG1 VAL A 38 -1.564 -7.999 -3.523 1.00 0.00 C ATOM 605 CG2 VAL A 38 -2.072 -5.554 -3.734 1.00 0.00 C ATOM 0 H VAL A 38 -1.334 -8.901 -6.214 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.636 -5.956 -6.297 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.193 -7.154 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.128 -8.038 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.625 -8.965 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.521 -7.767 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.632 -5.591 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.030 -5.313 -3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.497 -4.788 -4.382 1.00 0.00 H new ATOM 615 N LYS A 39 0.678 -5.629 -5.341 1.00 0.00 N ATOM 616 CA LYS A 39 2.093 -5.450 -5.038 1.00 0.00 C ATOM 617 C LYS A 39 2.424 -5.943 -3.640 1.00 0.00 C ATOM 618 O LYS A 39 1.650 -5.752 -2.703 1.00 0.00 O ATOM 619 CB LYS A 39 2.450 -3.976 -5.178 1.00 0.00 C ATOM 620 CG LYS A 39 1.329 -3.126 -4.590 1.00 0.00 C ATOM 621 CD LYS A 39 0.506 -2.530 -5.722 1.00 0.00 C ATOM 622 CE LYS A 39 -0.638 -1.707 -5.137 1.00 0.00 C ATOM 623 NZ LYS A 39 -1.422 -1.124 -6.250 1.00 0.00 N1+ ATOM 0 H LYS A 39 0.166 -4.759 -5.484 1.00 0.00 H new ATOM 0 HA LYS A 39 2.680 -6.040 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.388 -3.767 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.600 -3.725 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.695 -3.735 -3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.745 -2.332 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.135 -1.902 -6.352 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.111 -3.324 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.275 -2.335 -4.514 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.246 -0.917 -4.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.206 -0.560 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.807 -0.514 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.804 -1.888 -6.843 1.00 0.00 H new ATOM 637 N MET A 40 3.585 -6.585 -3.515 1.00 0.00 N ATOM 638 CA MET A 40 4.017 -7.108 -2.227 1.00 0.00 C ATOM 639 C MET A 40 5.094 -6.205 -1.622 1.00 0.00 C ATOM 640 O MET A 40 6.289 -6.474 -1.746 1.00 0.00 O ATOM 641 CB MET A 40 4.547 -8.545 -2.388 1.00 0.00 C ATOM 642 CG MET A 40 4.923 -9.111 -1.017 1.00 0.00 C ATOM 643 SD MET A 40 5.474 -10.823 -1.209 1.00 0.00 S ATOM 644 CE MET A 40 7.005 -10.460 -2.100 1.00 0.00 C ATOM 0 H MET A 40 4.235 -6.752 -4.283 1.00 0.00 H new ATOM 0 HA MET A 40 3.162 -7.127 -1.551 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.789 -9.173 -2.856 1.00 0.00 H new ATOM 0 HB3 MET A 40 5.416 -8.551 -3.046 1.00 0.00 H new ATOM 0 HG2 MET A 40 5.714 -8.511 -0.567 1.00 0.00 H new ATOM 0 HG3 MET A 40 4.066 -9.066 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.741 -11.235 -1.889 1.00 0.00 H new ATOM 0 HE2 MET A 40 6.805 -10.432 -3.171 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.393 -9.494 -1.778 1.00 0.00 H new ATOM 654 N THR A 41 4.657 -5.134 -0.972 1.00 0.00 N ATOM 655 CA THR A 41 5.591 -4.197 -0.346 1.00 0.00 C ATOM 656 C THR A 41 4.958 -3.531 0.870 1.00 0.00 C ATOM 657 O THR A 41 5.571 -2.692 1.530 1.00 0.00 O ATOM 658 CB THR A 41 6.019 -3.140 -1.360 1.00 0.00 C ATOM 659 OG1 THR A 41 4.874 -2.424 -1.804 1.00 0.00 O ATOM 660 CG2 THR A 41 6.686 -3.820 -2.555 1.00 0.00 C ATOM 0 H THR A 41 3.672 -4.891 -0.863 1.00 0.00 H new ATOM 0 HA THR A 41 6.468 -4.752 -0.012 1.00 0.00 H new ATOM 0 HB THR A 41 6.724 -2.452 -0.893 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.146 -1.743 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.992 -3.065 -3.279 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.562 -4.374 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.981 -4.507 -3.023 1.00 0.00 H new ATOM 668 N THR A 42 3.734 -3.937 1.164 1.00 0.00 N ATOM 669 CA THR A 42 3.036 -3.398 2.322 1.00 0.00 C ATOM 670 C THR A 42 2.177 -4.452 3.021 1.00 0.00 C ATOM 671 O THR A 42 1.726 -5.406 2.388 1.00 0.00 O ATOM 672 CB THR A 42 2.146 -2.245 1.877 1.00 0.00 C ATOM 673 OG1 THR A 42 1.168 -2.737 0.975 1.00 0.00 O ATOM 674 CG2 THR A 42 2.995 -1.189 1.168 1.00 0.00 C ATOM 0 H THR A 42 3.209 -4.627 0.627 1.00 0.00 H new ATOM 0 HA THR A 42 3.788 -3.057 3.033 1.00 0.00 H new ATOM 0 HB THR A 42 1.661 -1.800 2.746 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.590 -2.000 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.358 -0.364 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.757 -0.816 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.476 -1.634 0.297 1.00 0.00 H new ATOM 682 N HIS A 43 1.981 -4.272 4.331 1.00 0.00 N ATOM 683 CA HIS A 43 1.188 -5.217 5.120 1.00 0.00 C ATOM 684 C HIS A 43 0.021 -5.720 4.282 1.00 0.00 C ATOM 685 O HIS A 43 -0.607 -4.957 3.551 1.00 0.00 O ATOM 686 CB HIS A 43 0.646 -4.525 6.376 1.00 0.00 C ATOM 687 CG HIS A 43 1.677 -3.563 6.902 1.00 0.00 C ATOM 688 ND1 HIS A 43 2.606 -3.661 7.907 1.00 0.00 N ATOM 689 CD2 HIS A 43 1.831 -2.295 6.367 1.00 0.00 C ATOM 690 CE1 HIS A 43 3.330 -2.474 7.995 1.00 0.00 C ATOM 691 NE2 HIS A 43 2.822 -1.685 7.045 1.00 0.00 N ATOM 0 H HIS A 43 2.357 -3.487 4.863 1.00 0.00 H new ATOM 0 HA HIS A 43 1.820 -6.054 5.415 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.277 -3.994 6.142 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.403 -5.267 7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.260 -1.872 5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.130 -2.242 8.683 1.00 0.00 H new ATOM 0 HE2 HIS A 43 3.145 -0.736 6.856 1.00 0.00 H new ATOM 699 N LEU A 44 -0.243 -7.015 4.374 1.00 0.00 N ATOM 700 CA LEU A 44 -1.321 -7.626 3.601 1.00 0.00 C ATOM 701 C LEU A 44 -2.614 -6.834 3.775 1.00 0.00 C ATOM 702 O LEU A 44 -3.615 -7.094 3.107 1.00 0.00 O ATOM 703 CB LEU A 44 -1.523 -9.077 4.059 1.00 0.00 C ATOM 704 CG LEU A 44 -2.414 -9.134 5.318 1.00 0.00 C ATOM 705 CD1 LEU A 44 -3.784 -9.698 4.952 1.00 0.00 C ATOM 706 CD2 LEU A 44 -1.768 -10.023 6.383 1.00 0.00 C ATOM 0 H LEU A 44 0.270 -7.663 4.972 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.051 -7.617 2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.981 -9.656 3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.557 -9.534 4.271 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.526 -8.125 5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.411 -9.737 5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.254 -9.057 4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.667 -10.703 4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.406 -10.055 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.643 -11.031 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.794 -9.617 6.654 1.00 0.00 H new ATOM 718 N LYS A 45 -2.589 -5.896 4.714 1.00 0.00 N ATOM 719 CA LYS A 45 -3.760 -5.095 5.020 1.00 0.00 C ATOM 720 C LYS A 45 -4.185 -4.283 3.813 1.00 0.00 C ATOM 721 O LYS A 45 -5.367 -4.164 3.510 1.00 0.00 O ATOM 722 CB LYS A 45 -3.462 -4.154 6.183 1.00 0.00 C ATOM 723 CG LYS A 45 -4.752 -3.431 6.589 1.00 0.00 C ATOM 724 CD LYS A 45 -4.493 -2.553 7.810 1.00 0.00 C ATOM 725 CE LYS A 45 -5.789 -1.856 8.236 1.00 0.00 C ATOM 726 NZ LYS A 45 -6.193 -0.875 7.190 1.00 0.00 N1+ ATOM 0 H LYS A 45 -1.767 -5.674 5.276 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.571 -5.770 5.295 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.064 -4.716 7.028 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.700 -3.430 5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.113 -2.821 5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.532 -4.159 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.110 -3.160 8.630 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.729 -1.810 7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.579 -2.592 8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.645 -1.348 9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.145 0.088 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.550 -0.951 6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.166 -1.076 6.883 1.00 0.00 H new ATOM 740 N LYS A 46 -3.209 -3.730 3.124 1.00 0.00 N ATOM 741 CA LYS A 46 -3.479 -2.918 1.953 1.00 0.00 C ATOM 742 C LYS A 46 -4.070 -3.755 0.856 1.00 0.00 C ATOM 743 O LYS A 46 -4.205 -3.287 -0.274 1.00 0.00 O ATOM 744 CB LYS A 46 -2.191 -2.267 1.459 1.00 0.00 C ATOM 745 CG LYS A 46 -1.594 -1.399 2.575 1.00 0.00 C ATOM 746 CD LYS A 46 -2.307 -0.042 2.692 1.00 0.00 C ATOM 747 CE LYS A 46 -1.771 0.921 1.624 1.00 0.00 C ATOM 748 NZ LYS A 46 -2.431 2.242 1.782 1.00 0.00 N1+ ATOM 0 H LYS A 46 -2.220 -3.827 3.354 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.194 -2.143 2.230 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.476 -3.033 1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.394 -1.657 0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.666 -1.929 3.525 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.534 -1.236 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.382 -0.174 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.149 0.378 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.691 1.027 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.963 0.522 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.071 2.898 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.459 2.132 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.226 2.622 2.728 1.00 0.00 H new ATOM 762 N LEU A 47 -4.459 -4.978 1.192 1.00 0.00 N ATOM 763 CA LEU A 47 -5.081 -5.842 0.218 1.00 0.00 C ATOM 764 C LEU A 47 -6.495 -6.190 0.643 1.00 0.00 C ATOM 765 O LEU A 47 -7.455 -5.876 -0.060 1.00 0.00 O ATOM 766 CB LEU A 47 -4.249 -7.123 0.027 1.00 0.00 C ATOM 767 CG LEU A 47 -4.766 -7.963 -1.147 1.00 0.00 C ATOM 768 CD1 LEU A 47 -6.104 -8.634 -0.806 1.00 0.00 C ATOM 769 CD2 LEU A 47 -4.935 -7.115 -2.394 1.00 0.00 C ATOM 0 H LEU A 47 -4.353 -5.384 2.122 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.126 -5.312 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.206 -6.858 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.279 -7.717 0.941 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.021 -8.735 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.444 -9.222 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.974 -9.287 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.846 -7.870 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.303 -7.737 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.650 -6.316 -2.197 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.974 -6.682 -2.672 1.00 0.00 H new ATOM 781 N LYS A 48 -6.627 -6.841 1.792 1.00 0.00 N ATOM 782 CA LYS A 48 -7.935 -7.225 2.288 1.00 0.00 C ATOM 783 C LYS A 48 -8.741 -6.009 2.717 1.00 0.00 C ATOM 784 O LYS A 48 -9.963 -6.059 2.782 1.00 0.00 O ATOM 785 CB LYS A 48 -7.775 -8.191 3.460 1.00 0.00 C ATOM 786 CG LYS A 48 -6.953 -7.525 4.583 1.00 0.00 C ATOM 787 CD LYS A 48 -7.879 -6.933 5.660 1.00 0.00 C ATOM 788 CE LYS A 48 -7.082 -6.665 6.940 1.00 0.00 C ATOM 789 NZ LYS A 48 -7.498 -5.358 7.510 1.00 0.00 N1+ ATOM 0 H LYS A 48 -5.848 -7.111 2.392 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.478 -7.717 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.755 -8.482 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.279 -9.102 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.285 -8.258 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.326 -6.738 4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.326 -6.007 5.299 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.697 -7.622 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.254 -7.462 7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.014 -6.657 6.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.820 -5.067 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.522 -4.642 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.445 -5.448 7.931 1.00 0.00 H new ATOM 803 N GLU A 49 -8.049 -4.926 3.012 1.00 0.00 N ATOM 804 CA GLU A 49 -8.718 -3.707 3.441 1.00 0.00 C ATOM 805 C GLU A 49 -9.630 -3.183 2.332 1.00 0.00 C ATOM 806 O GLU A 49 -10.759 -2.772 2.584 1.00 0.00 O ATOM 807 CB GLU A 49 -7.671 -2.638 3.791 1.00 0.00 C ATOM 808 CG GLU A 49 -8.362 -1.375 4.302 1.00 0.00 C ATOM 809 CD GLU A 49 -7.318 -0.314 4.652 1.00 0.00 C ATOM 810 OE1 GLU A 49 -6.157 -0.525 4.340 1.00 0.00 O1- ATOM 811 OE2 GLU A 49 -7.698 0.695 5.227 1.00 0.00 O ATOM 0 H GLU A 49 -7.032 -4.862 2.964 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.322 -3.930 4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.988 -3.021 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.071 -2.403 2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.043 -0.991 3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.963 -1.609 5.180 1.00 0.00 H new ATOM 818 N SER A 50 -9.145 -3.238 1.100 1.00 0.00 N ATOM 819 CA SER A 50 -9.953 -2.795 -0.035 1.00 0.00 C ATOM 820 C SER A 50 -11.115 -3.741 -0.269 1.00 0.00 C ATOM 821 O SER A 50 -12.262 -3.316 -0.441 1.00 0.00 O ATOM 822 CB SER A 50 -9.073 -2.704 -1.286 1.00 0.00 C ATOM 823 OG SER A 50 -8.089 -1.694 -1.084 1.00 0.00 O ATOM 0 H SER A 50 -8.214 -3.578 0.859 1.00 0.00 H new ATOM 0 HA SER A 50 -10.363 -1.809 0.186 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.594 -3.664 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.682 -2.468 -2.159 1.00 0.00 H new ATOM 0 HG SER A 50 -7.519 -1.629 -1.879 1.00 0.00 H new ATOM 829 N TYR A 51 -10.814 -5.032 -0.247 1.00 0.00 N ATOM 830 CA TYR A 51 -11.830 -6.049 -0.426 1.00 0.00 C ATOM 831 C TYR A 51 -12.841 -5.998 0.709 1.00 0.00 C ATOM 832 O TYR A 51 -14.050 -6.079 0.500 1.00 0.00 O ATOM 833 CB TYR A 51 -11.201 -7.444 -0.538 1.00 0.00 C ATOM 834 CG TYR A 51 -12.289 -8.489 -0.667 1.00 0.00 C ATOM 835 CD1 TYR A 51 -12.893 -8.730 -1.908 1.00 0.00 C ATOM 836 CD2 TYR A 51 -12.672 -9.230 0.449 1.00 0.00 C ATOM 837 CE1 TYR A 51 -13.885 -9.710 -2.022 1.00 0.00 C ATOM 838 CE2 TYR A 51 -13.662 -10.209 0.338 1.00 0.00 C ATOM 839 CZ TYR A 51 -14.269 -10.452 -0.899 1.00 0.00 C ATOM 840 OH TYR A 51 -15.256 -11.411 -1.012 1.00 0.00 O ATOM 0 H TYR A 51 -9.872 -5.396 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 51 -12.353 -5.845 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.539 -7.486 -1.403 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -10.590 -7.649 0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.593 -8.160 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -12.202 -9.047 1.404 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -14.355 -9.894 -2.977 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -13.959 -10.778 1.207 1.00 0.00 H new ATOM 0 HH TYR A 51 -16.136 -10.986 -0.935 1.00 0.00 H new ATOM 850 N CYS A 52 -12.319 -5.930 1.924 1.00 0.00 N ATOM 851 CA CYS A 52 -13.167 -5.924 3.108 1.00 0.00 C ATOM 852 C CYS A 52 -14.052 -4.685 3.182 1.00 0.00 C ATOM 853 O CYS A 52 -15.244 -4.771 3.462 1.00 0.00 O ATOM 854 CB CYS A 52 -12.292 -5.941 4.362 1.00 0.00 C ATOM 855 SG CYS A 52 -11.424 -7.521 4.477 1.00 0.00 S ATOM 0 H CYS A 52 -11.319 -5.878 2.117 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.803 -6.807 3.046 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -11.574 -5.122 4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -12.907 -5.788 5.249 1.00 0.00 H new ATOM 0 HG CYS A 52 -10.566 -7.617 3.505 1.00 0.00 H new ATOM 861 N GLN A 53 -13.464 -3.527 2.938 1.00 0.00 N ATOM 862 CA GLN A 53 -14.218 -2.284 2.993 1.00 0.00 C ATOM 863 C GLN A 53 -15.251 -2.195 1.879 1.00 0.00 C ATOM 864 O GLN A 53 -16.356 -1.693 2.081 1.00 0.00 O ATOM 865 CB GLN A 53 -13.271 -1.096 2.898 1.00 0.00 C ATOM 866 CG GLN A 53 -12.434 -0.993 4.176 1.00 0.00 C ATOM 867 CD GLN A 53 -11.360 0.078 4.006 1.00 0.00 C ATOM 868 OE1 GLN A 53 -10.870 0.296 2.898 1.00 0.00 O ATOM 869 NE2 GLN A 53 -10.957 0.762 5.044 1.00 0.00 N ATOM 0 H GLN A 53 -12.477 -3.420 2.702 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.747 -2.266 3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.617 -1.209 2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.839 -0.178 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.075 -0.747 5.023 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -11.970 -1.954 4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.363 0.582 5.962 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -10.237 1.476 4.936 1.00 0.00 H new ATOM 878 N ARG A 54 -14.869 -2.643 0.690 1.00 0.00 N ATOM 879 CA ARG A 54 -15.760 -2.557 -0.452 1.00 0.00 C ATOM 880 C ARG A 54 -16.850 -3.628 -0.338 1.00 0.00 C ATOM 881 O ARG A 54 -17.798 -3.648 -1.126 1.00 0.00 O ATOM 882 CB ARG A 54 -14.971 -2.720 -1.765 1.00 0.00 C ATOM 883 CG ARG A 54 -14.788 -4.192 -2.113 1.00 0.00 C ATOM 884 CD ARG A 54 -13.822 -4.353 -3.280 1.00 0.00 C ATOM 885 NE ARG A 54 -13.890 -5.733 -3.765 1.00 0.00 N ATOM 886 CZ ARG A 54 -14.781 -6.085 -4.696 1.00 0.00 C ATOM 887 NH1 ARG A 54 -15.647 -5.218 -5.154 1.00 0.00 N ATOM 888 NH2 ARG A 54 -14.818 -7.311 -5.135 1.00 0.00 N ATOM 0 H ARG A 54 -13.960 -3.064 0.496 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.232 -1.574 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.497 -2.214 -2.575 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.996 -2.241 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.410 -4.732 -1.245 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.752 -4.633 -2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.079 -3.659 -4.080 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.806 -4.114 -2.964 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.251 -6.433 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.647 -4.261 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.322 -5.499 -5.865 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.166 -8.004 -4.768 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.499 -7.578 -5.846 1.00 0.00 H new ATOM 902 N GLN A 55 -16.712 -4.516 0.655 1.00 0.00 N ATOM 903 CA GLN A 55 -17.705 -5.576 0.874 1.00 0.00 C ATOM 904 C GLN A 55 -18.142 -5.616 2.332 1.00 0.00 C ATOM 905 O GLN A 55 -19.270 -5.251 2.664 1.00 0.00 O ATOM 906 CB GLN A 55 -17.172 -6.963 0.466 1.00 0.00 C ATOM 907 CG GLN A 55 -16.992 -7.017 -1.044 1.00 0.00 C ATOM 908 CD GLN A 55 -16.623 -8.427 -1.477 1.00 0.00 C ATOM 909 OE1 GLN A 55 -16.590 -9.337 -0.653 1.00 0.00 O ATOM 910 NE2 GLN A 55 -16.361 -8.660 -2.734 1.00 0.00 N ATOM 0 H GLN A 55 -15.932 -4.523 1.313 1.00 0.00 H new ATOM 0 HA GLN A 55 -18.560 -5.338 0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -16.222 -7.159 0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -17.866 -7.739 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -17.912 -6.705 -1.539 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -16.213 -6.319 -1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -16.391 -7.898 -3.411 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.126 -9.604 -3.039 1.00 0.00 H new ATOM 919 N GLY A 56 -17.238 -6.055 3.196 1.00 0.00 N ATOM 920 CA GLY A 56 -17.542 -6.131 4.623 1.00 0.00 C ATOM 921 C GLY A 56 -16.270 -6.197 5.452 1.00 0.00 C ATOM 922 O GLY A 56 -15.205 -6.536 4.945 1.00 0.00 O ATOM 0 H GLY A 56 -16.299 -6.361 2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.128 -5.261 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.155 -7.011 4.821 1.00 0.00 H new ATOM 926 N VAL A 57 -16.381 -5.872 6.734 1.00 0.00 N ATOM 927 CA VAL A 57 -15.205 -5.907 7.584 1.00 0.00 C ATOM 928 C VAL A 57 -15.102 -7.266 8.277 1.00 0.00 C ATOM 929 O VAL A 57 -16.107 -7.772 8.742 1.00 0.00 O ATOM 930 CB VAL A 57 -15.300 -4.798 8.637 1.00 0.00 C ATOM 931 CG1 VAL A 57 -16.399 -5.123 9.623 1.00 0.00 C ATOM 932 CG2 VAL A 57 -13.981 -4.651 9.397 1.00 0.00 C ATOM 0 H VAL A 57 -17.246 -5.590 7.194 1.00 0.00 H new ATOM 0 HA VAL A 57 -14.317 -5.751 6.972 1.00 0.00 H new ATOM 0 HB VAL A 57 -15.519 -3.862 8.124 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -16.463 -4.332 10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -17.350 -5.202 9.095 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -16.178 -6.070 10.115 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.075 -3.857 10.138 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.743 -5.589 9.898 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.184 -4.401 8.697 1.00 0.00 H new ATOM 942 N PRO A 58 -13.922 -7.845 8.382 1.00 0.00 N ATOM 943 CA PRO A 58 -13.709 -9.155 9.078 1.00 0.00 C ATOM 944 C PRO A 58 -13.976 -9.088 10.555 1.00 0.00 C ATOM 945 O PRO A 58 -14.134 -10.111 11.217 1.00 0.00 O ATOM 946 CB PRO A 58 -12.255 -9.495 8.790 1.00 0.00 C ATOM 947 CG PRO A 58 -11.601 -8.202 8.488 1.00 0.00 C ATOM 948 CD PRO A 58 -12.652 -7.354 7.817 1.00 0.00 C ATOM 0 HA PRO A 58 -14.404 -9.914 8.718 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.788 -9.981 9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.172 -10.183 7.949 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.238 -7.726 9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.739 -8.343 7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -12.505 -6.295 8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -12.626 -7.470 6.733 1.00 0.00 H new ATOM 956 N MET A 59 -13.998 -7.887 11.069 1.00 0.00 N ATOM 957 CA MET A 59 -14.227 -7.707 12.487 1.00 0.00 C ATOM 958 C MET A 59 -15.657 -8.080 12.877 1.00 0.00 C ATOM 959 O MET A 59 -16.393 -7.254 13.416 1.00 0.00 O ATOM 960 CB MET A 59 -13.987 -6.260 12.866 1.00 0.00 C ATOM 961 CG MET A 59 -12.514 -5.912 12.632 1.00 0.00 C ATOM 962 SD MET A 59 -12.189 -4.214 13.178 1.00 0.00 S ATOM 963 CE MET A 59 -10.493 -4.090 12.553 1.00 0.00 C ATOM 0 H MET A 59 -13.863 -7.026 10.539 1.00 0.00 H new ATOM 0 HA MET A 59 -13.536 -8.362 13.017 1.00 0.00 H new ATOM 0 HB2 MET A 59 -14.626 -5.606 12.272 1.00 0.00 H new ATOM 0 HB3 MET A 59 -14.249 -6.098 13.912 1.00 0.00 H new ATOM 0 HG2 MET A 59 -11.876 -6.607 13.177 1.00 0.00 H new ATOM 0 HG3 MET A 59 -12.270 -6.017 11.575 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.091 -3.104 12.785 1.00 0.00 H new ATOM 0 HE2 MET A 59 -9.875 -4.854 13.024 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.492 -4.237 11.473 1.00 0.00 H new ATOM 973 N ASN A 60 -16.035 -9.329 12.619 1.00 0.00 N ATOM 974 CA ASN A 60 -17.372 -9.800 12.966 1.00 0.00 C ATOM 975 C ASN A 60 -17.558 -11.242 12.493 1.00 0.00 C ATOM 976 O ASN A 60 -17.349 -12.191 13.251 1.00 0.00 O ATOM 977 CB ASN A 60 -18.440 -8.920 12.309 1.00 0.00 C ATOM 978 CG ASN A 60 -18.037 -8.590 10.878 1.00 0.00 C ATOM 979 OD1 ASN A 60 -16.997 -9.176 10.357 1.00 0.00 O ATOM 980 ND2 ASN A 60 -18.681 -7.775 10.217 1.00 0.00 N ATOM 0 H ASN A 60 -15.440 -10.028 12.175 1.00 0.00 H new ATOM 0 HA ASN A 60 -17.480 -9.749 14.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -19.401 -9.435 12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -18.567 -8.001 12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -18.400 -7.558 9.261 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -19.495 -7.317 10.626 1.00 0.00 H new ATOM 987 N SER A 61 -17.958 -11.391 11.229 1.00 0.00 N ATOM 988 CA SER A 61 -18.179 -12.719 10.646 1.00 0.00 C ATOM 989 C SER A 61 -17.033 -13.125 9.725 1.00 0.00 C ATOM 990 O SER A 61 -16.464 -14.207 9.865 1.00 0.00 O ATOM 991 CB SER A 61 -19.484 -12.738 9.855 1.00 0.00 C ATOM 992 OG SER A 61 -20.538 -12.266 10.685 1.00 0.00 O ATOM 0 H SER A 61 -18.135 -10.615 10.591 1.00 0.00 H new ATOM 0 HA SER A 61 -18.232 -13.431 11.470 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.395 -12.112 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 61 -19.700 -13.749 9.511 1.00 0.00 H new ATOM 0 HG SER A 61 -21.041 -11.571 10.211 1.00 0.00 H new ATOM 998 N LEU A 62 -16.713 -12.258 8.772 1.00 0.00 N ATOM 999 CA LEU A 62 -15.648 -12.539 7.817 1.00 0.00 C ATOM 1000 C LEU A 62 -14.312 -12.709 8.531 1.00 0.00 C ATOM 1001 O LEU A 62 -14.001 -12.012 9.497 1.00 0.00 O ATOM 1002 CB LEU A 62 -15.575 -11.387 6.808 1.00 0.00 C ATOM 1003 CG LEU A 62 -16.586 -11.583 5.685 1.00 0.00 C ATOM 1004 CD1 LEU A 62 -17.088 -10.215 5.229 1.00 0.00 C ATOM 1005 CD2 LEU A 62 -15.905 -12.274 4.496 1.00 0.00 C ATOM 0 H LEU A 62 -17.174 -11.358 8.640 1.00 0.00 H new ATOM 0 HA LEU A 62 -15.865 -13.471 7.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.767 -10.441 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -14.570 -11.326 6.391 1.00 0.00 H new ATOM 0 HG LEU A 62 -17.414 -12.194 6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.813 -10.343 4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -17.562 -9.704 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -16.248 -9.621 4.869 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.629 -12.414 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -15.082 -11.656 4.139 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -15.520 -13.244 4.811 1.00 0.00 H new ATOM 1017 N ARG A 63 -13.551 -13.677 8.053 1.00 0.00 N ATOM 1018 CA ARG A 63 -12.250 -14.005 8.625 1.00 0.00 C ATOM 1019 C ARG A 63 -11.213 -14.259 7.545 1.00 0.00 C ATOM 1020 O ARG A 63 -11.519 -14.817 6.506 1.00 0.00 O ATOM 1021 CB ARG A 63 -12.363 -15.230 9.542 1.00 0.00 C ATOM 1022 CG ARG A 63 -10.957 -15.693 9.967 1.00 0.00 C ATOM 1023 CD ARG A 63 -11.069 -16.789 11.021 1.00 0.00 C ATOM 1024 NE ARG A 63 -11.540 -16.231 12.283 1.00 0.00 N ATOM 1025 CZ ARG A 63 -11.867 -17.019 13.301 1.00 0.00 C ATOM 1026 NH1 ARG A 63 -11.780 -18.315 13.177 1.00 0.00 N ATOM 1027 NH2 ARG A 63 -12.266 -16.496 14.429 1.00 0.00 N ATOM 0 H ARG A 63 -13.814 -14.260 7.258 1.00 0.00 H new ATOM 0 HA ARG A 63 -11.922 -13.146 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -12.957 -14.984 10.422 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.881 -16.037 9.024 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.409 -16.064 9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.392 -14.850 10.365 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.756 -17.563 10.679 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.099 -17.265 11.165 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.620 -15.219 12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.461 -18.723 12.298 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.031 -18.920 13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.326 -15.483 14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -12.517 -17.101 15.211 1.00 0.00 H new ATOM 1041 N PHE A 64 -9.978 -13.854 7.818 1.00 0.00 N ATOM 1042 CA PHE A 64 -8.881 -14.071 6.879 1.00 0.00 C ATOM 1043 C PHE A 64 -7.877 -15.067 7.441 1.00 0.00 C ATOM 1044 O PHE A 64 -7.193 -14.763 8.418 1.00 0.00 O ATOM 1045 CB PHE A 64 -8.182 -12.740 6.578 1.00 0.00 C ATOM 1046 CG PHE A 64 -9.050 -11.924 5.664 1.00 0.00 C ATOM 1047 CD1 PHE A 64 -10.117 -11.193 6.178 1.00 0.00 C ATOM 1048 CD2 PHE A 64 -8.795 -11.925 4.290 1.00 0.00 C ATOM 1049 CE1 PHE A 64 -10.928 -10.449 5.316 1.00 0.00 C ATOM 1050 CE2 PHE A 64 -9.604 -11.186 3.431 1.00 0.00 C ATOM 1051 CZ PHE A 64 -10.671 -10.451 3.944 1.00 0.00 C ATOM 0 H PHE A 64 -9.711 -13.375 8.678 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.293 -14.480 5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.995 -12.196 7.504 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.213 -12.921 6.113 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.318 -11.201 7.239 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.970 -12.499 3.894 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -11.752 -9.874 5.711 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.405 -11.182 2.369 1.00 0.00 H new ATOM 0 HZ PHE A 64 -11.301 -9.881 3.278 1.00 0.00 H new ATOM 1061 N LEU A 65 -7.777 -16.254 6.834 1.00 0.00 N ATOM 1062 CA LEU A 65 -6.835 -17.244 7.321 1.00 0.00 C ATOM 1063 C LEU A 65 -5.686 -17.336 6.321 1.00 0.00 C ATOM 1064 O LEU A 65 -5.862 -17.815 5.200 1.00 0.00 O ATOM 1065 CB LEU A 65 -7.531 -18.607 7.399 1.00 0.00 C ATOM 1066 CG LEU A 65 -6.787 -19.518 8.375 1.00 0.00 C ATOM 1067 CD1 LEU A 65 -7.246 -19.229 9.811 1.00 0.00 C ATOM 1068 CD2 LEU A 65 -7.068 -20.982 8.039 1.00 0.00 C ATOM 0 H LEU A 65 -8.327 -16.541 6.024 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.467 -16.963 8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.564 -18.479 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.561 -19.066 6.411 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.717 -19.326 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.712 -19.881 10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.035 -18.189 10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.317 -19.411 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.534 -21.625 8.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -8.138 -21.174 8.114 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.732 -21.193 7.024 1.00 0.00 H new ATOM 1080 N PHE A 66 -4.526 -16.835 6.719 1.00 0.00 N ATOM 1081 CA PHE A 66 -3.361 -16.820 5.842 1.00 0.00 C ATOM 1082 C PHE A 66 -2.927 -18.244 5.516 1.00 0.00 C ATOM 1083 O PHE A 66 -2.603 -18.556 4.369 1.00 0.00 O ATOM 1084 CB PHE A 66 -2.221 -16.045 6.498 1.00 0.00 C ATOM 1085 CG PHE A 66 -1.248 -15.572 5.442 1.00 0.00 C ATOM 1086 CD1 PHE A 66 -1.670 -14.608 4.519 1.00 0.00 C ATOM 1087 CD2 PHE A 66 0.065 -16.059 5.388 1.00 0.00 C ATOM 1088 CE1 PHE A 66 -0.795 -14.144 3.540 1.00 0.00 C ATOM 1089 CE2 PHE A 66 0.942 -15.591 4.401 1.00 0.00 C ATOM 1090 CZ PHE A 66 0.508 -14.633 3.479 1.00 0.00 C ATOM 0 H PHE A 66 -4.365 -16.433 7.643 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.626 -16.321 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.618 -15.192 7.048 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.707 -16.679 7.221 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.678 -14.223 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.400 -16.793 6.106 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.127 -13.404 2.827 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.952 -15.970 4.352 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.184 -14.272 2.718 1.00 0.00 H new ATOM 1100 N GLU A 67 -2.913 -19.109 6.530 1.00 0.00 N ATOM 1101 CA GLU A 67 -2.515 -20.497 6.341 1.00 0.00 C ATOM 1102 C GLU A 67 -3.378 -21.428 7.196 1.00 0.00 C ATOM 1103 O GLU A 67 -4.317 -22.051 6.701 1.00 0.00 O ATOM 1104 CB GLU A 67 -1.035 -20.672 6.711 1.00 0.00 C ATOM 1105 CG GLU A 67 -0.656 -19.721 7.859 1.00 0.00 C ATOM 1106 CD GLU A 67 0.796 -19.927 8.259 1.00 0.00 C ATOM 1107 OE1 GLU A 67 1.266 -21.049 8.162 1.00 0.00 O1- ATOM 1108 OE2 GLU A 67 1.419 -18.958 8.665 1.00 0.00 O ATOM 0 H GLU A 67 -3.173 -18.870 7.487 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.658 -20.758 5.292 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.847 -21.704 7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.409 -20.471 5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.812 -18.687 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.305 -19.899 8.717 1.00 0.00 H new ATOM 1115 N GLY A 68 -3.040 -21.520 8.477 1.00 0.00 N ATOM 1116 CA GLY A 68 -3.765 -22.372 9.415 1.00 0.00 C ATOM 1117 C GLY A 68 -3.934 -21.660 10.757 1.00 0.00 C ATOM 1118 O GLY A 68 -3.916 -22.297 11.811 1.00 0.00 O ATOM 0 H GLY A 68 -2.261 -21.010 8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.742 -22.626 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.226 -23.308 9.558 1.00 0.00 H new ATOM 1122 N GLN A 69 -4.093 -20.341 10.711 1.00 0.00 N ATOM 1123 CA GLN A 69 -4.257 -19.559 11.930 1.00 0.00 C ATOM 1124 C GLN A 69 -4.711 -18.139 11.605 1.00 0.00 C ATOM 1125 O GLN A 69 -5.066 -17.841 10.467 1.00 0.00 O ATOM 1126 CB GLN A 69 -2.948 -19.532 12.717 1.00 0.00 C ATOM 1127 CG GLN A 69 -1.860 -18.872 11.872 1.00 0.00 C ATOM 1128 CD GLN A 69 -0.526 -18.931 12.604 1.00 0.00 C ATOM 1129 OE1 GLN A 69 -0.390 -19.654 13.589 1.00 0.00 O ATOM 1130 NE2 GLN A 69 0.476 -18.223 12.166 1.00 0.00 N ATOM 0 H GLN A 69 -4.112 -19.795 9.850 1.00 0.00 H new ATOM 0 HA GLN A 69 -5.026 -20.030 12.542 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.083 -18.983 13.649 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.651 -20.546 12.984 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.779 -19.377 10.909 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.126 -17.835 11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.359 -17.624 11.348 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.378 -18.267 12.641 1.00 0.00 H new ATOM 1139 N ARG A 70 -4.670 -17.270 12.608 1.00 0.00 N ATOM 1140 CA ARG A 70 -5.068 -15.878 12.414 1.00 0.00 C ATOM 1141 C ARG A 70 -3.873 -14.954 12.635 1.00 0.00 C ATOM 1142 O ARG A 70 -3.070 -15.170 13.545 1.00 0.00 O ATOM 1143 CB ARG A 70 -6.180 -15.511 13.394 1.00 0.00 C ATOM 1144 CG ARG A 70 -7.409 -16.374 13.123 1.00 0.00 C ATOM 1145 CD ARG A 70 -8.479 -16.076 14.176 1.00 0.00 C ATOM 1146 NE ARG A 70 -8.975 -14.715 14.018 1.00 0.00 N ATOM 1147 CZ ARG A 70 -9.846 -14.199 14.877 1.00 0.00 C ATOM 1148 NH1 ARG A 70 -10.270 -14.913 15.884 1.00 0.00 N ATOM 1149 NH2 ARG A 70 -10.282 -12.980 14.710 1.00 0.00 N ATOM 0 H ARG A 70 -4.369 -17.499 13.555 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.431 -15.759 11.393 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.839 -15.659 14.419 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.435 -14.456 13.292 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.798 -16.170 12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.139 -17.430 13.151 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.302 -16.784 14.079 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.063 -16.205 15.175 1.00 0.00 H new ATOM 0 HE ARG A 70 -8.648 -14.150 13.235 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.932 -15.867 16.011 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.939 -14.517 16.544 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.954 -12.425 13.920 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.951 -12.583 15.369 1.00 0.00 H new ATOM 1163 N ILE A 71 -3.760 -13.930 11.792 1.00 0.00 N ATOM 1164 CA ILE A 71 -2.657 -12.978 11.889 1.00 0.00 C ATOM 1165 C ILE A 71 -3.176 -11.544 11.952 1.00 0.00 C ATOM 1166 O ILE A 71 -4.281 -11.250 11.494 1.00 0.00 O ATOM 1167 CB ILE A 71 -1.730 -13.141 10.673 1.00 0.00 C ATOM 1168 CG1 ILE A 71 -2.517 -12.873 9.377 1.00 0.00 C ATOM 1169 CG2 ILE A 71 -1.171 -14.564 10.645 1.00 0.00 C ATOM 1170 CD1 ILE A 71 -1.559 -12.813 8.184 1.00 0.00 C ATOM 0 H ILE A 71 -4.417 -13.739 11.036 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.104 -13.182 12.806 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.909 -12.428 10.749 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.256 -13.659 9.221 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.064 -11.934 9.462 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.514 -14.680 9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.607 -14.752 11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.993 -15.276 10.573 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.125 -12.623 7.272 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.837 -12.011 8.337 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.032 -13.763 8.093 1.00 0.00 H new ATOM 1182 N ALA A 72 -2.363 -10.655 12.509 1.00 0.00 N ATOM 1183 CA ALA A 72 -2.731 -9.247 12.613 1.00 0.00 C ATOM 1184 C ALA A 72 -2.512 -8.539 11.277 1.00 0.00 C ATOM 1185 O ALA A 72 -1.784 -9.028 10.415 1.00 0.00 O ATOM 1186 CB ALA A 72 -1.929 -8.562 13.723 1.00 0.00 C ATOM 0 H ALA A 72 -1.447 -10.882 12.895 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.789 -9.185 12.867 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.217 -7.513 13.785 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.134 -9.052 14.675 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.864 -8.633 13.500 1.00 0.00 H new ATOM 1192 N ASP A 73 -3.168 -7.399 11.114 1.00 0.00 N ATOM 1193 CA ASP A 73 -3.070 -6.625 9.876 1.00 0.00 C ATOM 1194 C ASP A 73 -2.115 -5.437 10.047 1.00 0.00 C ATOM 1195 O ASP A 73 -2.157 -4.484 9.268 1.00 0.00 O ATOM 1196 CB ASP A 73 -4.459 -6.126 9.472 1.00 0.00 C ATOM 1197 CG ASP A 73 -5.089 -5.332 10.606 1.00 0.00 C ATOM 1198 OD1 ASP A 73 -4.497 -5.286 11.671 1.00 0.00 O1- ATOM 1199 OD2 ASP A 73 -6.158 -4.787 10.392 1.00 0.00 O ATOM 0 H ASP A 73 -3.775 -6.986 11.822 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.672 -7.271 9.093 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.383 -5.502 8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.096 -6.973 9.215 1.00 0.00 H new ATOM 1204 N ASN A 74 -1.276 -5.501 11.079 1.00 0.00 N ATOM 1205 CA ASN A 74 -0.318 -4.426 11.361 1.00 0.00 C ATOM 1206 C ASN A 74 1.126 -4.889 11.160 1.00 0.00 C ATOM 1207 O ASN A 74 2.068 -4.262 11.646 1.00 0.00 O ATOM 1208 CB ASN A 74 -0.523 -3.928 12.785 1.00 0.00 C ATOM 1209 CG ASN A 74 -0.240 -5.049 13.773 1.00 0.00 C ATOM 1210 OD1 ASN A 74 0.308 -6.088 13.401 1.00 0.00 O ATOM 1211 ND2 ASN A 74 -0.610 -4.911 15.013 1.00 0.00 N ATOM 0 H ASN A 74 -1.238 -6.282 11.734 1.00 0.00 H new ATOM 0 HA ASN A 74 -0.498 -3.612 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.137 -3.083 12.982 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.545 -3.571 12.911 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.447 -5.664 15.681 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.063 -4.049 15.317 1.00 0.00 H new ATOM 1218 N HIS A 75 1.280 -5.994 10.450 1.00 0.00 N ATOM 1219 CA HIS A 75 2.608 -6.540 10.199 1.00 0.00 C ATOM 1220 C HIS A 75 2.723 -7.061 8.776 1.00 0.00 C ATOM 1221 O HIS A 75 1.724 -7.423 8.151 1.00 0.00 O ATOM 1222 CB HIS A 75 2.890 -7.694 11.164 1.00 0.00 C ATOM 1223 CG HIS A 75 1.937 -8.822 10.877 1.00 0.00 C ATOM 1224 ND1 HIS A 75 2.169 -9.760 9.880 1.00 0.00 N ATOM 1225 CD2 HIS A 75 0.749 -9.181 11.452 1.00 0.00 C ATOM 1226 CE1 HIS A 75 1.141 -10.625 9.891 1.00 0.00 C ATOM 1227 NE2 HIS A 75 0.246 -10.317 10.831 1.00 0.00 N ATOM 0 H HIS A 75 0.513 -6.527 10.040 1.00 0.00 H new ATOM 0 HA HIS A 75 3.331 -5.738 10.347 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.919 -8.034 11.052 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.775 -7.358 12.195 1.00 0.00 H new ATOM 0 HD1 HIS A 75 2.973 -9.787 9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.273 -8.658 12.268 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.050 -11.467 9.221 1.00 0.00 H new ATOM 1235 N THR A 76 3.961 -7.098 8.281 1.00 0.00 N ATOM 1236 CA THR A 76 4.244 -7.579 6.934 1.00 0.00 C ATOM 1237 C THR A 76 5.364 -8.625 6.951 1.00 0.00 C ATOM 1238 O THR A 76 5.292 -9.617 6.227 1.00 0.00 O ATOM 1239 CB THR A 76 4.655 -6.414 6.017 1.00 0.00 C ATOM 1240 OG1 THR A 76 3.829 -5.287 6.267 1.00 0.00 O ATOM 1241 CG2 THR A 76 4.517 -6.837 4.559 1.00 0.00 C ATOM 0 H THR A 76 4.787 -6.798 8.799 1.00 0.00 H new ATOM 0 HA THR A 76 3.333 -8.038 6.550 1.00 0.00 H new ATOM 0 HB THR A 76 5.692 -6.148 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.809 -5.103 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.809 -6.010 3.911 1.00 0.00 H new ATOM 0 HG22 THR A 76 5.162 -7.694 4.366 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.481 -7.109 4.356 1.00 0.00 H new ATOM 1249 N PRO A 77 6.404 -8.417 7.736 1.00 0.00 N ATOM 1250 CA PRO A 77 7.562 -9.345 7.813 1.00 0.00 C ATOM 1251 C PRO A 77 7.353 -10.456 8.835 1.00 0.00 C ATOM 1252 O PRO A 77 8.234 -11.282 9.054 1.00 0.00 O ATOM 1253 CB PRO A 77 8.731 -8.313 8.090 1.00 0.00 C ATOM 1254 CG PRO A 77 8.104 -7.246 8.922 1.00 0.00 C ATOM 1255 CD PRO A 77 6.602 -7.290 8.674 1.00 0.00 C ATOM 0 HA PRO A 77 7.760 -9.953 6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.562 -8.787 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 77 9.130 -7.907 7.160 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.322 -7.406 9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 77 8.507 -6.268 8.658 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.053 -7.447 9.602 1.00 0.00 H new ATOM 0 HD3 PRO A 77 6.244 -6.353 8.247 1.00 0.00 H new ATOM 1263 N LYS A 78 6.172 -10.482 9.438 1.00 0.00 N ATOM 1264 CA LYS A 78 5.866 -11.520 10.414 1.00 0.00 C ATOM 1265 C LYS A 78 5.898 -12.903 9.777 1.00 0.00 C ATOM 1266 O LYS A 78 6.521 -13.827 10.304 1.00 0.00 O ATOM 1267 CB LYS A 78 4.488 -11.261 11.013 1.00 0.00 C ATOM 1268 CG LYS A 78 4.332 -12.029 12.326 1.00 0.00 C ATOM 1269 CD LYS A 78 3.005 -11.665 12.984 1.00 0.00 C ATOM 1270 CE LYS A 78 2.878 -12.427 14.298 1.00 0.00 C ATOM 1271 NZ LYS A 78 1.597 -12.063 14.967 1.00 0.00 N1+ ATOM 0 H LYS A 78 5.422 -9.810 9.273 1.00 0.00 H new ATOM 0 HA LYS A 78 6.624 -11.491 11.197 1.00 0.00 H new ATOM 0 HB2 LYS A 78 4.354 -10.194 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 78 3.714 -11.567 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 78 4.372 -13.102 12.137 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.158 -11.792 12.997 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.956 -10.591 13.165 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.176 -11.914 12.322 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.910 -13.500 14.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.720 -12.191 14.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.513 -12.584 15.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.584 -11.041 15.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.799 -12.310 14.347 1.00 0.00 H new ATOM 1285 N GLU A 79 5.233 -13.030 8.638 1.00 0.00 N ATOM 1286 CA GLU A 79 5.183 -14.304 7.923 1.00 0.00 C ATOM 1287 C GLU A 79 5.114 -14.109 6.415 1.00 0.00 C ATOM 1288 O GLU A 79 6.041 -14.500 5.709 1.00 0.00 O ATOM 1289 CB GLU A 79 3.967 -15.123 8.401 1.00 0.00 C ATOM 1290 CG GLU A 79 4.154 -15.566 9.859 1.00 0.00 C ATOM 1291 CD GLU A 79 5.383 -16.465 9.982 1.00 0.00 C ATOM 1292 OE1 GLU A 79 5.809 -16.993 8.968 1.00 0.00 O ATOM 1293 OE2 GLU A 79 5.888 -16.598 11.084 1.00 0.00 O1- ATOM 0 H GLU A 79 4.721 -12.271 8.188 1.00 0.00 H new ATOM 0 HA GLU A 79 6.104 -14.844 8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.060 -14.525 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.837 -15.997 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.267 -14.692 10.501 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.268 -16.100 10.201 1.00 0.00 H new ATOM 1300 N LEU A 80 4.003 -13.504 5.982 1.00 0.00 N ATOM 1301 CA LEU A 80 3.733 -13.232 4.553 1.00 0.00 C ATOM 1302 C LEU A 80 4.861 -13.861 3.725 1.00 0.00 C ATOM 1303 O LEU A 80 4.998 -15.088 3.709 1.00 0.00 O ATOM 1304 CB LEU A 80 3.695 -11.735 4.284 1.00 0.00 C ATOM 1305 CG LEU A 80 2.290 -11.208 4.524 1.00 0.00 C ATOM 1306 CD1 LEU A 80 1.876 -11.448 5.980 1.00 0.00 C ATOM 1307 CD2 LEU A 80 2.283 -9.719 4.213 1.00 0.00 C ATOM 0 H LEU A 80 3.262 -13.186 6.606 1.00 0.00 H new ATOM 0 HA LEU A 80 2.765 -13.655 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.403 -11.221 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.000 -11.532 3.257 1.00 0.00 H new ATOM 0 HG LEU A 80 1.579 -11.728 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.868 -11.066 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.897 -12.517 6.193 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.569 -10.932 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.283 -9.317 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.992 -9.208 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.569 -9.563 3.173 1.00 0.00 H new ATOM 1319 N GLY A 81 5.697 -13.041 3.065 1.00 0.00 N ATOM 1320 CA GLY A 81 6.819 -13.582 2.304 1.00 0.00 C ATOM 1321 C GLY A 81 6.340 -14.461 1.158 1.00 0.00 C ATOM 1322 O GLY A 81 6.904 -15.524 0.900 1.00 0.00 O ATOM 0 H GLY A 81 5.615 -12.024 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.421 -12.764 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.463 -14.162 2.965 1.00 0.00 H new ATOM 1326 N MET A 82 5.284 -14.020 0.494 1.00 0.00 N ATOM 1327 CA MET A 82 4.723 -14.794 -0.607 1.00 0.00 C ATOM 1328 C MET A 82 5.504 -14.524 -1.888 1.00 0.00 C ATOM 1329 O MET A 82 6.107 -13.461 -2.049 1.00 0.00 O ATOM 1330 CB MET A 82 3.253 -14.446 -0.808 1.00 0.00 C ATOM 1331 CG MET A 82 2.539 -14.530 0.545 1.00 0.00 C ATOM 1332 SD MET A 82 2.889 -16.104 1.385 1.00 0.00 S ATOM 1333 CE MET A 82 1.919 -17.186 0.323 1.00 0.00 C ATOM 0 H MET A 82 4.802 -13.143 0.692 1.00 0.00 H new ATOM 0 HA MET A 82 4.799 -15.853 -0.361 1.00 0.00 H new ATOM 0 HB2 MET A 82 3.156 -13.444 -1.225 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.796 -15.133 -1.520 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.856 -13.700 1.177 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.464 -14.426 0.398 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.842 -18.172 0.781 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.921 -16.768 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.406 -17.274 -0.648 1.00 0.00 H new ATOM 1343 N GLU A 83 5.490 -15.493 -2.796 1.00 0.00 N ATOM 1344 CA GLU A 83 6.201 -15.341 -4.061 1.00 0.00 C ATOM 1345 C GLU A 83 5.261 -14.900 -5.177 1.00 0.00 C ATOM 1346 O GLU A 83 5.529 -13.923 -5.876 1.00 0.00 O ATOM 1347 CB GLU A 83 6.862 -16.670 -4.441 1.00 0.00 C ATOM 1348 CG GLU A 83 7.994 -16.993 -3.462 1.00 0.00 C ATOM 1349 CD GLU A 83 8.585 -18.363 -3.783 1.00 0.00 C ATOM 1350 OE1 GLU A 83 8.117 -18.982 -4.725 1.00 0.00 O ATOM 1351 OE2 GLU A 83 9.492 -18.774 -3.081 1.00 0.00 O1- ATOM 0 H GLU A 83 5.001 -16.381 -2.683 1.00 0.00 H new ATOM 0 HA GLU A 83 6.961 -14.570 -3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 83 6.122 -17.470 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.254 -16.613 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.769 -16.229 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.616 -16.981 -2.440 1.00 0.00 H new ATOM 1358 N GLU A 84 4.167 -15.631 -5.347 1.00 0.00 N ATOM 1359 CA GLU A 84 3.205 -15.303 -6.389 1.00 0.00 C ATOM 1360 C GLU A 84 1.845 -15.912 -6.072 1.00 0.00 C ATOM 1361 O GLU A 84 0.829 -15.220 -6.076 1.00 0.00 O ATOM 1362 CB GLU A 84 3.698 -15.827 -7.740 1.00 0.00 C ATOM 1363 CG GLU A 84 2.715 -15.422 -8.845 1.00 0.00 C ATOM 1364 CD GLU A 84 3.220 -15.909 -10.198 1.00 0.00 C ATOM 1365 OE1 GLU A 84 4.383 -16.270 -10.279 1.00 0.00 O ATOM 1366 OE2 GLU A 84 2.437 -15.909 -11.135 1.00 0.00 O1- ATOM 0 H GLU A 84 3.926 -16.446 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 84 3.104 -14.219 -6.435 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.688 -15.426 -7.957 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.794 -16.912 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.732 -15.846 -8.641 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.599 -14.338 -8.860 1.00 0.00 H new ATOM 1373 N GLU A 85 1.827 -17.218 -5.824 1.00 0.00 N ATOM 1374 CA GLU A 85 0.573 -17.906 -5.539 1.00 0.00 C ATOM 1375 C GLU A 85 0.185 -17.741 -4.076 1.00 0.00 C ATOM 1376 O GLU A 85 0.453 -18.614 -3.249 1.00 0.00 O ATOM 1377 CB GLU A 85 0.721 -19.396 -5.866 1.00 0.00 C ATOM 1378 CG GLU A 85 -0.611 -20.117 -5.635 1.00 0.00 C ATOM 1379 CD GLU A 85 -0.481 -21.592 -5.996 1.00 0.00 C ATOM 1380 OE1 GLU A 85 0.639 -22.042 -6.178 1.00 0.00 O ATOM 1381 OE2 GLU A 85 -1.504 -22.251 -6.086 1.00 0.00 O1- ATOM 0 H GLU A 85 2.655 -17.814 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.211 -17.468 -6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.036 -19.520 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.497 -19.839 -5.241 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.912 -20.016 -4.592 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.392 -19.655 -6.238 1.00 0.00 H new ATOM 1388 N ASP A 86 -0.463 -16.623 -3.776 1.00 0.00 N ATOM 1389 CA ASP A 86 -0.908 -16.350 -2.424 1.00 0.00 C ATOM 1390 C ASP A 86 -2.410 -16.614 -2.307 1.00 0.00 C ATOM 1391 O ASP A 86 -3.207 -15.985 -2.988 1.00 0.00 O ATOM 1392 CB ASP A 86 -0.570 -14.906 -2.028 1.00 0.00 C ATOM 1393 CG ASP A 86 -0.924 -14.684 -0.559 1.00 0.00 C ATOM 1394 OD1 ASP A 86 -1.503 -15.581 0.029 1.00 0.00 O1- ATOM 1395 OD2 ASP A 86 -0.610 -13.622 -0.044 1.00 0.00 O ATOM 0 H ASP A 86 -0.690 -15.894 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.386 -17.016 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.490 -14.712 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.122 -14.207 -2.656 1.00 0.00 H new ATOM 1400 N VAL A 87 -2.794 -17.565 -1.463 1.00 0.00 N ATOM 1401 CA VAL A 87 -4.213 -17.896 -1.299 1.00 0.00 C ATOM 1402 C VAL A 87 -4.658 -17.729 0.151 1.00 0.00 C ATOM 1403 O VAL A 87 -4.032 -18.261 1.068 1.00 0.00 O ATOM 1404 CB VAL A 87 -4.461 -19.333 -1.739 1.00 0.00 C ATOM 1405 CG1 VAL A 87 -5.863 -19.769 -1.303 1.00 0.00 C ATOM 1406 CG2 VAL A 87 -4.343 -19.439 -3.260 1.00 0.00 C ATOM 0 H VAL A 87 -2.157 -18.116 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.791 -17.211 -1.918 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.718 -19.982 -1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -6.039 -20.797 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -5.943 -19.704 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.606 -19.117 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.521 -20.469 -3.568 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.081 -18.787 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.343 -19.136 -3.569 1.00 0.00 H new ATOM 1416 N ILE A 88 -5.762 -17.008 0.337 1.00 0.00 N ATOM 1417 CA ILE A 88 -6.333 -16.782 1.666 1.00 0.00 C ATOM 1418 C ILE A 88 -7.774 -17.280 1.733 1.00 0.00 C ATOM 1419 O ILE A 88 -8.607 -16.918 0.904 1.00 0.00 O ATOM 1420 CB ILE A 88 -6.276 -15.296 2.031 1.00 0.00 C ATOM 1421 CG1 ILE A 88 -4.812 -14.856 2.184 1.00 0.00 C ATOM 1422 CG2 ILE A 88 -7.036 -15.046 3.334 1.00 0.00 C ATOM 1423 CD1 ILE A 88 -4.722 -13.328 2.275 1.00 0.00 C ATOM 0 H ILE A 88 -6.283 -16.567 -0.421 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.738 -17.345 2.385 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.743 -14.715 1.235 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.381 -15.306 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.228 -15.212 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.989 -13.986 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.077 -15.344 3.211 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -6.584 -15.629 4.136 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.679 -13.031 2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.134 -12.885 1.368 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.290 -12.981 3.138 1.00 0.00 H new ATOM 1435 N GLU A 89 -8.055 -18.099 2.738 1.00 0.00 N ATOM 1436 CA GLU A 89 -9.400 -18.642 2.934 1.00 0.00 C ATOM 1437 C GLU A 89 -10.183 -17.779 3.896 1.00 0.00 C ATOM 1438 O GLU A 89 -9.635 -17.275 4.878 1.00 0.00 O ATOM 1439 CB GLU A 89 -9.309 -20.064 3.483 1.00 0.00 C ATOM 1440 CG GLU A 89 -8.727 -20.980 2.418 1.00 0.00 C ATOM 1441 CD GLU A 89 -8.550 -22.392 2.968 1.00 0.00 C ATOM 1442 OE1 GLU A 89 -8.822 -22.587 4.143 1.00 0.00 O1- ATOM 1443 OE2 GLU A 89 -8.151 -23.259 2.207 1.00 0.00 O ATOM 0 H GLU A 89 -7.372 -18.404 3.432 1.00 0.00 H new ATOM 0 HA GLU A 89 -9.913 -18.654 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.683 -20.082 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.297 -20.415 3.780 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.385 -21.001 1.549 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.766 -20.591 2.081 1.00 0.00 H new ATOM 1450 N VAL A 90 -11.474 -17.622 3.616 1.00 0.00 N ATOM 1451 CA VAL A 90 -12.326 -16.826 4.477 1.00 0.00 C ATOM 1452 C VAL A 90 -13.631 -17.555 4.761 1.00 0.00 C ATOM 1453 O VAL A 90 -14.055 -18.406 3.981 1.00 0.00 O ATOM 1454 CB VAL A 90 -12.630 -15.474 3.814 1.00 0.00 C ATOM 1455 CG1 VAL A 90 -11.336 -14.698 3.587 1.00 0.00 C ATOM 1456 CG2 VAL A 90 -13.310 -15.708 2.461 1.00 0.00 C ATOM 0 H VAL A 90 -11.943 -18.032 2.809 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.801 -16.660 5.418 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.287 -14.902 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.563 -13.741 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.843 -14.524 4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.676 -15.274 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.525 -14.748 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.649 -16.287 1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.241 -16.255 2.611 1.00 0.00 H new ATOM 1466 N TYR A 91 -14.272 -17.202 5.873 1.00 0.00 N ATOM 1467 CA TYR A 91 -15.541 -17.822 6.235 1.00 0.00 C ATOM 1468 C TYR A 91 -16.601 -16.752 6.445 1.00 0.00 C ATOM 1469 O TYR A 91 -16.344 -15.743 7.099 1.00 0.00 O ATOM 1470 CB TYR A 91 -15.373 -18.643 7.519 1.00 0.00 C ATOM 1471 CG TYR A 91 -14.380 -19.752 7.270 1.00 0.00 C ATOM 1472 CD1 TYR A 91 -14.805 -20.954 6.692 1.00 0.00 C ATOM 1473 CD2 TYR A 91 -13.032 -19.580 7.620 1.00 0.00 C ATOM 1474 CE1 TYR A 91 -13.884 -21.983 6.461 1.00 0.00 C ATOM 1475 CE2 TYR A 91 -12.115 -20.610 7.390 1.00 0.00 C ATOM 1476 CZ TYR A 91 -12.539 -21.813 6.810 1.00 0.00 C ATOM 1477 OH TYR A 91 -11.633 -22.826 6.583 1.00 0.00 O ATOM 0 H TYR A 91 -13.937 -16.498 6.531 1.00 0.00 H new ATOM 0 HA TYR A 91 -15.856 -18.482 5.426 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -15.027 -18.004 8.331 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -16.332 -19.059 7.827 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -15.843 -21.088 6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -12.703 -18.653 8.066 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.212 -22.909 6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.078 -20.478 7.660 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.744 -22.543 6.882 1.00 0.00 H new ATOM 1487 N GLN A 92 -17.790 -16.983 5.897 1.00 0.00 N ATOM 1488 CA GLN A 92 -18.876 -16.025 6.042 1.00 0.00 C ATOM 1489 C GLN A 92 -20.072 -16.667 6.741 1.00 0.00 C ATOM 1490 O GLN A 92 -20.853 -17.388 6.123 1.00 0.00 O ATOM 1491 CB GLN A 92 -19.305 -15.524 4.661 1.00 0.00 C ATOM 1492 CG GLN A 92 -18.162 -14.749 4.013 1.00 0.00 C ATOM 1493 CD GLN A 92 -18.597 -14.192 2.655 1.00 0.00 C ATOM 1494 OE1 GLN A 92 -19.743 -14.377 2.247 1.00 0.00 O ATOM 1495 NE2 GLN A 92 -17.743 -13.513 1.933 1.00 0.00 N ATOM 0 H GLN A 92 -18.023 -17.815 5.355 1.00 0.00 H new ATOM 0 HA GLN A 92 -18.523 -15.190 6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -19.588 -16.367 4.030 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -20.183 -14.885 4.753 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -17.852 -13.933 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -17.298 -15.401 3.886 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.794 -13.361 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -18.026 -13.135 1.029 1.00 0.00 H new ATOM 1504 N GLU A 93 -20.210 -16.383 8.030 1.00 0.00 N ATOM 1505 CA GLU A 93 -21.320 -16.920 8.813 1.00 0.00 C ATOM 1506 C GLU A 93 -22.648 -16.363 8.315 1.00 0.00 C ATOM 1507 O GLU A 93 -23.652 -17.074 8.259 1.00 0.00 O ATOM 1508 CB GLU A 93 -21.136 -16.577 10.291 1.00 0.00 C ATOM 1509 CG GLU A 93 -19.950 -17.365 10.855 1.00 0.00 C ATOM 1510 CD GLU A 93 -19.719 -16.984 12.313 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -20.434 -16.125 12.802 1.00 0.00 O1- ATOM 1512 OE2 GLU A 93 -18.834 -17.562 12.922 1.00 0.00 O ATOM 0 H GLU A 93 -19.571 -15.786 8.555 1.00 0.00 H new ATOM 0 HA GLU A 93 -21.330 -18.004 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.964 -15.507 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -22.043 -16.817 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.143 -18.435 10.776 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.054 -17.158 10.270 1.00 0.00 H new ATOM 1519 N GLN A 94 -22.643 -15.081 7.959 1.00 0.00 N ATOM 1520 CA GLN A 94 -23.849 -14.423 7.472 1.00 0.00 C ATOM 1521 C GLN A 94 -23.514 -13.430 6.366 1.00 0.00 C ATOM 1522 O GLN A 94 -22.395 -12.918 6.292 1.00 0.00 O ATOM 1523 CB GLN A 94 -24.539 -13.701 8.628 1.00 0.00 C ATOM 1524 CG GLN A 94 -23.613 -12.621 9.183 1.00 0.00 C ATOM 1525 CD GLN A 94 -24.261 -11.970 10.392 1.00 0.00 C ATOM 1526 OE1 GLN A 94 -24.678 -10.743 10.305 1.00 0.00 O ATOM 1527 NE2 GLN A 94 -24.409 -12.603 11.437 1.00 0.00 N ATOM 0 H GLN A 94 -21.820 -14.480 7.999 1.00 0.00 H new ATOM 0 HA GLN A 94 -24.518 -15.179 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -25.472 -13.253 8.285 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -24.796 -14.412 9.413 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -22.654 -13.058 9.462 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -23.411 -11.872 8.418 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -24.080 -13.566 11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -24.861 -12.164 12.239 1.00 0.00 H new ATOM 1536 N THR A 95 -24.491 -13.162 5.508 1.00 0.00 N ATOM 1537 CA THR A 95 -24.298 -12.229 4.407 1.00 0.00 C ATOM 1538 C THR A 95 -24.173 -10.802 4.933 1.00 0.00 C ATOM 1539 O THR A 95 -23.582 -9.941 4.284 1.00 0.00 O ATOM 1540 CB THR A 95 -25.466 -12.316 3.423 1.00 0.00 C ATOM 1541 OG1 THR A 95 -26.677 -12.000 4.097 1.00 0.00 O ATOM 1542 CG2 THR A 95 -25.552 -13.736 2.857 1.00 0.00 C ATOM 0 H THR A 95 -25.422 -13.577 5.554 1.00 0.00 H new ATOM 0 HA THR A 95 -23.377 -12.498 3.889 1.00 0.00 H new ATOM 0 HB THR A 95 -25.308 -11.609 2.608 1.00 0.00 H new ATOM 0 HG1 THR A 95 -27.138 -11.278 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 95 -26.384 -13.798 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 95 -24.623 -13.979 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.710 -14.443 3.671 1.00 0.00 H new ATOM 1550 N GLY A 96 -24.744 -10.562 6.109 1.00 0.00 N ATOM 1551 CA GLY A 96 -24.696 -9.233 6.710 1.00 0.00 C ATOM 1552 C GLY A 96 -25.790 -8.333 6.138 1.00 0.00 C ATOM 1553 O GLY A 96 -25.856 -7.146 6.458 1.00 0.00 O ATOM 0 H GLY A 96 -25.241 -11.262 6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -24.815 -9.314 7.790 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -23.719 -8.784 6.530 1.00 0.00 H new ATOM 1557 N GLY A 97 -26.642 -8.901 5.294 1.00 0.00 N ATOM 1558 CA GLY A 97 -27.724 -8.138 4.687 1.00 0.00 C ATOM 1559 C GLY A 97 -28.690 -9.073 3.977 1.00 0.00 C ATOM 1560 O GLY A 97 -28.460 -10.281 3.926 1.00 0.00 O ATOM 0 H GLY A 97 -26.605 -9.882 5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -28.252 -7.570 5.453 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -27.317 -7.416 3.978 1.00 0.00 H new ATOM 1564 N HIS A 98 -29.770 -8.510 3.442 1.00 0.00 N ATOM 1565 CA HIS A 98 -30.775 -9.305 2.741 1.00 0.00 C ATOM 1566 C HIS A 98 -31.361 -10.382 3.653 1.00 0.00 C ATOM 1567 O HIS A 98 -32.515 -10.287 4.076 1.00 0.00 O ATOM 1568 CB HIS A 98 -30.167 -9.945 1.486 1.00 0.00 C ATOM 1569 CG HIS A 98 -31.127 -10.955 0.928 1.00 0.00 C ATOM 1570 ND1 HIS A 98 -32.286 -10.586 0.265 1.00 0.00 N ATOM 1571 CD2 HIS A 98 -31.116 -12.330 0.926 1.00 0.00 C ATOM 1572 CE1 HIS A 98 -32.918 -11.717 -0.105 1.00 0.00 C ATOM 1573 NE2 HIS A 98 -32.248 -12.805 0.274 1.00 0.00 N ATOM 0 H HIS A 98 -29.972 -7.511 3.480 1.00 0.00 H new ATOM 0 HA HIS A 98 -31.584 -8.638 2.442 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -29.953 -9.179 0.741 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -29.219 -10.424 1.731 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -30.345 -12.947 1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -33.854 -11.739 -0.643 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -32.510 -13.778 0.119 1.00 0.00 H new ATOM 1581 N SER A 99 -30.564 -11.399 3.958 1.00 0.00 N ATOM 1582 CA SER A 99 -31.012 -12.480 4.818 1.00 0.00 C ATOM 1583 C SER A 99 -31.200 -11.981 6.244 1.00 0.00 C ATOM 1584 O SER A 99 -30.475 -11.099 6.706 1.00 0.00 O ATOM 1585 CB SER A 99 -29.977 -13.602 4.804 1.00 0.00 C ATOM 1586 OG SER A 99 -29.863 -14.120 3.483 1.00 0.00 O ATOM 0 H SER A 99 -29.606 -11.495 3.622 1.00 0.00 H new ATOM 0 HA SER A 99 -31.967 -12.853 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 99 -29.012 -13.226 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 99 -30.272 -14.393 5.493 1.00 0.00 H new ATOM 0 HG SER A 99 -29.198 -14.840 3.470 1.00 0.00 H new ATOM 1592 N THR A 100 -32.177 -12.549 6.933 1.00 0.00 N ATOM 1593 CA THR A 100 -32.457 -12.159 8.307 1.00 0.00 C ATOM 1594 C THR A 100 -31.307 -12.555 9.226 1.00 0.00 C ATOM 1595 O THR A 100 -30.977 -11.838 10.169 1.00 0.00 O ATOM 1596 CB THR A 100 -33.748 -12.825 8.782 1.00 0.00 C ATOM 1597 OG1 THR A 100 -34.106 -12.306 10.056 1.00 0.00 O ATOM 1598 CG2 THR A 100 -33.546 -14.337 8.887 1.00 0.00 C ATOM 0 H THR A 100 -32.788 -13.279 6.566 1.00 0.00 H new ATOM 0 HA THR A 100 -32.572 -11.076 8.341 1.00 0.00 H new ATOM 0 HB THR A 100 -34.543 -12.619 8.065 1.00 0.00 H new ATOM 0 HG1 THR A 100 -34.935 -12.731 10.361 1.00 0.00 H new ATOM 0 HG21 THR A 100 -34.470 -14.805 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 100 -33.274 -14.736 7.910 1.00 0.00 H new ATOM 0 HG23 THR A 100 -32.749 -14.549 9.600 1.00 0.00 H new ATOM 1606 N VAL A 101 -30.699 -13.706 8.942 1.00 0.00 N ATOM 1607 CA VAL A 101 -29.588 -14.193 9.750 1.00 0.00 C ATOM 1608 C VAL A 101 -28.262 -13.963 9.033 1.00 0.00 C ATOM 1609 O VAL A 101 -28.926 -13.469 8.125 1.00 0.00 O ATOM 1610 CB VAL A 101 -29.766 -15.686 10.033 1.00 0.00 C ATOM 1611 CG1 VAL A 101 -29.742 -16.464 8.716 1.00 0.00 C ATOM 1612 CG2 VAL A 101 -28.627 -16.172 10.932 1.00 0.00 C ATOM 0 H VAL A 101 -30.956 -14.313 8.164 1.00 0.00 H new ATOM 0 HA VAL A 101 -29.578 -13.643 10.691 1.00 0.00 H new ATOM 0 HB VAL A 101 -30.721 -15.849 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.869 -17.527 8.919 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -30.552 -16.118 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -28.788 -16.302 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -28.752 -17.236 11.135 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.673 -16.008 10.431 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -28.644 -15.619 11.871 1.00 0.00 H new TER 1622 VAL A 101 ATOM 1623 N GLY B 201 32.557 -17.880 6.174 1.00 0.00 N ATOM 1624 CA GLY B 201 32.912 -17.359 7.526 1.00 0.00 C ATOM 1625 C GLY B 201 31.757 -16.535 8.091 1.00 0.00 C ATOM 1626 O GLY B 201 30.773 -16.267 7.404 1.00 0.00 O ATOM 0 HA2 GLY B 201 33.139 -18.188 8.196 1.00 0.00 H new ATOM 0 HA3 GLY B 201 33.810 -16.745 7.463 1.00 0.00 H new ATOM 1629 N GLN B 202 31.892 -16.144 9.333 1.00 0.00 N ATOM 1630 CA GLN B 202 30.830 -15.330 9.989 1.00 0.00 C ATOM 1631 C GLN B 202 31.479 -14.145 10.699 1.00 0.00 C ATOM 1632 O GLN B 202 32.499 -14.296 11.371 1.00 0.00 O ATOM 1633 CB GLN B 202 30.061 -16.181 11.008 1.00 0.00 C ATOM 1634 CG GLN B 202 28.940 -15.346 11.634 1.00 0.00 C ATOM 1635 CD GLN B 202 29.360 -14.864 13.016 1.00 0.00 C ATOM 1636 OE1 GLN B 202 30.125 -13.910 13.136 1.00 0.00 O ATOM 1637 NE2 GLN B 202 28.903 -15.473 14.076 1.00 0.00 N ATOM 0 H GLN B 202 32.697 -16.356 9.922 1.00 0.00 H new ATOM 0 HA GLN B 202 30.131 -14.974 9.232 1.00 0.00 H new ATOM 0 HB2 GLN B 202 29.643 -17.061 10.520 1.00 0.00 H new ATOM 0 HB3 GLN B 202 30.739 -16.538 11.784 1.00 0.00 H new ATOM 0 HG2 GLN B 202 28.711 -14.492 10.996 1.00 0.00 H new ATOM 0 HG3 GLN B 202 28.030 -15.941 11.708 1.00 0.00 H new ATOM 0 HE21 GLN B 202 28.268 -16.265 13.975 1.00 0.00 H new ATOM 0 HE22 GLN B 202 29.181 -15.157 15.005 1.00 0.00 H new ATOM 1646 N ASP B 203 30.900 -12.984 10.544 1.00 0.00 N ATOM 1647 CA ASP B 203 31.475 -11.772 11.199 1.00 0.00 C ATOM 1648 C ASP B 203 30.352 -10.819 11.604 1.00 0.00 C ATOM 1649 O ASP B 203 29.210 -11.235 11.812 1.00 0.00 O ATOM 1650 CB ASP B 203 32.467 -11.060 10.279 1.00 0.00 C ATOM 1651 CG ASP B 203 33.403 -10.194 11.118 1.00 0.00 C ATOM 1652 OD1 ASP B 203 34.123 -10.750 11.932 1.00 0.00 O1- ATOM 1653 OD2 ASP B 203 33.384 -8.992 10.938 1.00 0.00 O ATOM 0 H ASP B 203 30.056 -12.822 9.994 1.00 0.00 H new ATOM 0 HA ASP B 203 32.017 -12.091 12.090 1.00 0.00 H new ATOM 0 HB2 ASP B 203 33.042 -11.791 9.710 1.00 0.00 H new ATOM 0 HB3 ASP B 203 31.932 -10.443 9.557 1.00 0.00 H new ATOM 1658 N ARG B 204 30.685 -9.560 11.734 1.00 0.00 N ATOM 1659 CA ARG B 204 29.651 -8.544 12.157 1.00 0.00 C ATOM 1660 C ARG B 204 28.664 -8.315 10.995 1.00 0.00 C ATOM 1661 O ARG B 204 28.541 -9.161 10.109 1.00 0.00 O ATOM 1662 CB ARG B 204 30.312 -7.196 12.563 1.00 0.00 C ATOM 1663 CG ARG B 204 29.786 -6.696 13.936 1.00 0.00 C ATOM 1664 CD ARG B 204 28.313 -6.335 13.831 1.00 0.00 C ATOM 1665 NE ARG B 204 28.106 -5.148 12.951 1.00 0.00 N ATOM 1666 CZ ARG B 204 28.178 -3.939 13.448 1.00 0.00 C ATOM 1667 NH1 ARG B 204 28.453 -3.762 14.713 1.00 0.00 N ATOM 1668 NH2 ARG B 204 27.976 -2.906 12.677 1.00 0.00 N ATOM 0 H ARG B 204 31.619 -9.185 11.569 1.00 0.00 H new ATOM 0 HA ARG B 204 29.122 -8.930 13.028 1.00 0.00 H new ATOM 0 HB2 ARG B 204 31.394 -7.319 12.610 1.00 0.00 H new ATOM 0 HB3 ARG B 204 30.109 -6.445 11.799 1.00 0.00 H new ATOM 0 HG2 ARG B 204 29.926 -7.469 14.691 1.00 0.00 H new ATOM 0 HG3 ARG B 204 30.359 -5.827 14.259 1.00 0.00 H new ATOM 0 HD2 ARG B 204 27.756 -7.184 13.436 1.00 0.00 H new ATOM 0 HD3 ARG B 204 27.916 -6.127 14.825 1.00 0.00 H new ATOM 0 HE ARG B 204 27.908 -5.279 11.959 1.00 0.00 H new ATOM 0 HH11 ARG B 204 28.613 -4.568 15.318 1.00 0.00 H new ATOM 0 HH12 ARG B 204 28.508 -2.818 15.096 1.00 0.00 H new ATOM 0 HH21 ARG B 204 27.762 -3.041 11.689 1.00 0.00 H new ATOM 0 HH22 ARG B 204 28.032 -1.963 13.062 1.00 0.00 H new ATOM 1682 N PHE B 205 27.956 -7.201 11.017 1.00 0.00 N ATOM 1683 CA PHE B 205 26.966 -6.907 9.914 1.00 0.00 C ATOM 1684 C PHE B 205 27.250 -5.534 9.316 1.00 0.00 C ATOM 1685 O PHE B 205 26.409 -4.978 8.615 1.00 0.00 O ATOM 1686 CB PHE B 205 25.529 -6.901 10.447 1.00 0.00 C ATOM 1687 CG PHE B 205 25.442 -5.959 11.620 1.00 0.00 C ATOM 1688 CD1 PHE B 205 25.333 -4.578 11.412 1.00 0.00 C ATOM 1689 CD2 PHE B 205 25.467 -6.465 12.917 1.00 0.00 C ATOM 1690 CE1 PHE B 205 25.259 -3.710 12.503 1.00 0.00 C ATOM 1691 CE2 PHE B 205 25.390 -5.598 14.013 1.00 0.00 C ATOM 1692 CZ PHE B 205 25.288 -4.218 13.804 1.00 0.00 C ATOM 0 H PHE B 205 28.019 -6.488 11.743 1.00 0.00 H new ATOM 0 HA PHE B 205 27.072 -7.688 9.161 1.00 0.00 H new ATOM 0 HB2 PHE B 205 24.838 -6.590 9.663 1.00 0.00 H new ATOM 0 HB3 PHE B 205 25.236 -7.906 10.750 1.00 0.00 H new ATOM 0 HD1 PHE B 205 25.306 -4.184 10.407 1.00 0.00 H new ATOM 0 HD2 PHE B 205 25.546 -7.530 13.078 1.00 0.00 H new ATOM 0 HE1 PHE B 205 25.179 -2.645 12.341 1.00 0.00 H new ATOM 0 HE2 PHE B 205 25.409 -5.993 15.018 1.00 0.00 H new ATOM 0 HZ PHE B 205 25.232 -3.546 14.648 1.00 0.00 H new ATOM 1702 N VAL B 206 28.381 -4.972 9.634 1.00 0.00 N ATOM 1703 CA VAL B 206 28.683 -3.593 9.153 1.00 0.00 C ATOM 1704 C VAL B 206 28.477 -3.485 7.646 1.00 0.00 C ATOM 1705 O VAL B 206 29.399 -3.667 6.852 1.00 0.00 O ATOM 1706 CB VAL B 206 30.140 -3.260 9.479 1.00 0.00 C ATOM 1707 CG1 VAL B 206 30.560 -1.985 8.747 1.00 0.00 C ATOM 1708 CG2 VAL B 206 30.294 -3.047 10.983 1.00 0.00 C ATOM 0 H VAL B 206 29.108 -5.404 10.204 1.00 0.00 H new ATOM 0 HA VAL B 206 28.009 -2.895 9.649 1.00 0.00 H new ATOM 0 HB VAL B 206 30.772 -4.088 9.158 1.00 0.00 H new ATOM 0 HG11 VAL B 206 31.599 -1.755 8.984 1.00 0.00 H new ATOM 0 HG12 VAL B 206 30.457 -2.132 7.672 1.00 0.00 H new ATOM 0 HG13 VAL B 206 29.924 -1.158 9.062 1.00 0.00 H new ATOM 0 HG21 VAL B 206 31.333 -2.810 11.212 1.00 0.00 H new ATOM 0 HG22 VAL B 206 29.655 -2.223 11.301 1.00 0.00 H new ATOM 0 HG23 VAL B 206 30.004 -3.956 11.511 1.00 0.00 H new ATOM 1718 N TYR B 207 27.254 -3.192 7.278 1.00 0.00 N ATOM 1719 CA TYR B 207 26.906 -3.053 5.838 1.00 0.00 C ATOM 1720 C TYR B 207 25.604 -2.271 5.694 1.00 0.00 C ATOM 1721 O TYR B 207 25.053 -1.788 6.678 1.00 0.00 O ATOM 1722 CB TYR B 207 26.745 -4.420 5.211 1.00 0.00 C ATOM 1723 CG TYR B 207 28.074 -4.917 4.695 1.00 0.00 C ATOM 1724 CD1 TYR B 207 28.613 -4.370 3.525 1.00 0.00 C ATOM 1725 CD2 TYR B 207 28.757 -5.932 5.370 1.00 0.00 C ATOM 1726 CE1 TYR B 207 29.835 -4.839 3.030 1.00 0.00 C ATOM 1727 CE2 TYR B 207 29.980 -6.398 4.876 1.00 0.00 C ATOM 1728 CZ TYR B 207 30.518 -5.853 3.707 1.00 0.00 C ATOM 1729 OH TYR B 207 31.719 -6.321 3.217 1.00 0.00 O ATOM 0 H TYR B 207 26.478 -3.043 7.923 1.00 0.00 H new ATOM 0 HA TYR B 207 27.708 -2.517 5.331 1.00 0.00 H new ATOM 0 HB2 TYR B 207 26.347 -5.120 5.945 1.00 0.00 H new ATOM 0 HB3 TYR B 207 26.025 -4.371 4.394 1.00 0.00 H new ATOM 0 HD1 TYR B 207 28.085 -3.585 3.004 1.00 0.00 H new ATOM 0 HD2 TYR B 207 28.341 -6.356 6.272 1.00 0.00 H new ATOM 0 HE1 TYR B 207 30.250 -4.418 2.126 1.00 0.00 H new ATOM 0 HE2 TYR B 207 30.510 -7.181 5.399 1.00 0.00 H new ATOM 0 HH TYR B 207 32.061 -7.024 3.807 1.00 0.00 H new ATOM 1739 N THR B 208 25.125 -2.155 4.476 1.00 0.00 N ATOM 1740 CA THR B 208 23.849 -1.415 4.242 1.00 0.00 C ATOM 1741 C THR B 208 22.987 -2.125 3.197 1.00 0.00 C ATOM 1742 O THR B 208 23.457 -3.008 2.480 1.00 0.00 O ATOM 1743 CB THR B 208 24.114 0.016 3.796 1.00 0.00 C ATOM 1744 OG1 THR B 208 24.610 0.024 2.463 1.00 0.00 O ATOM 1745 CG2 THR B 208 25.140 0.660 4.731 1.00 0.00 C ATOM 0 H THR B 208 25.563 -2.540 3.639 1.00 0.00 H new ATOM 0 HA THR B 208 23.311 -1.392 5.190 1.00 0.00 H new ATOM 0 HB THR B 208 23.183 0.582 3.833 1.00 0.00 H new ATOM 0 HG1 THR B 208 24.777 0.948 2.182 1.00 0.00 H new ATOM 0 HG21 THR B 208 25.330 1.685 4.412 1.00 0.00 H new ATOM 0 HG22 THR B 208 24.752 0.663 5.750 1.00 0.00 H new ATOM 0 HG23 THR B 208 26.069 0.091 4.698 1.00 0.00 H new ATOM 1753 N CYS B 209 21.737 -1.731 3.138 1.00 0.00 N ATOM 1754 CA CYS B 209 20.773 -2.337 2.171 1.00 0.00 C ATOM 1755 C CYS B 209 20.240 -1.267 1.222 1.00 0.00 C ATOM 1756 O CYS B 209 19.770 -0.217 1.644 1.00 0.00 O ATOM 1757 CB CYS B 209 19.665 -3.012 2.954 1.00 0.00 C ATOM 1758 SG CYS B 209 18.131 -3.118 1.995 1.00 0.00 S ATOM 0 H CYS B 209 21.340 -1.002 3.731 1.00 0.00 H new ATOM 0 HA CYS B 209 21.267 -3.088 1.555 1.00 0.00 H new ATOM 0 HB2 CYS B 209 19.983 -4.014 3.243 1.00 0.00 H new ATOM 0 HB3 CYS B 209 19.481 -2.458 3.874 1.00 0.00 H new ATOM 1763 N ASN B 210 20.390 -1.535 -0.046 1.00 0.00 N ATOM 1764 CA ASN B 210 19.995 -0.567 -1.104 1.00 0.00 C ATOM 1765 C ASN B 210 18.527 -0.710 -1.481 1.00 0.00 C ATOM 1766 O ASN B 210 18.051 -0.028 -2.388 1.00 0.00 O ATOM 1767 CB ASN B 210 20.864 -0.775 -2.346 1.00 0.00 C ATOM 1768 CG ASN B 210 20.821 0.473 -3.223 1.00 0.00 C ATOM 1769 OD1 ASN B 210 20.706 1.588 -2.712 1.00 0.00 O ATOM 1770 ND2 ASN B 210 20.914 0.352 -4.518 1.00 0.00 N ATOM 0 H ASN B 210 20.780 -2.408 -0.400 1.00 0.00 H new ATOM 0 HA ASN B 210 20.144 0.437 -0.707 1.00 0.00 H new ATOM 0 HB2 ASN B 210 21.891 -0.988 -2.051 1.00 0.00 H new ATOM 0 HB3 ASN B 210 20.509 -1.638 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN B 210 20.892 1.182 -5.111 1.00 0.00 H new ATOM 0 HD22 ASN B 210 21.009 -0.572 -4.938 1.00 0.00 H new ATOM 1777 N GLU B 211 17.816 -1.561 -0.807 1.00 0.00 N ATOM 1778 CA GLU B 211 16.373 -1.718 -1.135 1.00 0.00 C ATOM 1779 C GLU B 211 15.530 -0.733 -0.316 1.00 0.00 C ATOM 1780 O GLU B 211 14.554 -0.189 -0.833 1.00 0.00 O ATOM 1781 CB GLU B 211 15.929 -3.158 -0.864 1.00 0.00 C ATOM 1782 CG GLU B 211 16.518 -4.128 -1.900 1.00 0.00 C ATOM 1783 CD GLU B 211 16.019 -3.786 -3.304 1.00 0.00 C ATOM 1784 OE1 GLU B 211 14.818 -3.650 -3.466 1.00 0.00 O1- ATOM 1785 OE2 GLU B 211 16.848 -3.673 -4.194 1.00 0.00 O ATOM 0 H GLU B 211 18.163 -2.150 -0.051 1.00 0.00 H new ATOM 0 HA GLU B 211 16.225 -1.499 -2.193 1.00 0.00 H new ATOM 0 HB2 GLU B 211 16.244 -3.456 0.136 1.00 0.00 H new ATOM 0 HB3 GLU B 211 14.841 -3.216 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU B 211 17.607 -4.079 -1.874 1.00 0.00 H new ATOM 0 HG3 GLU B 211 16.238 -5.151 -1.648 1.00 0.00 H new ATOM 1792 N CYS B 212 15.900 -0.497 0.927 1.00 0.00 N ATOM 1793 CA CYS B 212 15.120 0.467 1.774 1.00 0.00 C ATOM 1794 C CYS B 212 16.062 1.485 2.426 1.00 0.00 C ATOM 1795 O CYS B 212 15.609 2.430 3.076 1.00 0.00 O ATOM 1796 CB CYS B 212 14.324 -0.279 2.858 1.00 0.00 C ATOM 1797 SG CYS B 212 15.437 -1.281 3.878 1.00 0.00 S ATOM 0 H CYS B 212 16.702 -0.928 1.387 1.00 0.00 H new ATOM 0 HA CYS B 212 14.417 0.994 1.129 1.00 0.00 H new ATOM 0 HB2 CYS B 212 13.791 0.436 3.484 1.00 0.00 H new ATOM 0 HB3 CYS B 212 13.573 -0.917 2.393 1.00 0.00 H new ATOM 1802 N LYS B 213 17.345 1.286 2.259 1.00 0.00 N ATOM 1803 CA LYS B 213 18.360 2.223 2.858 1.00 0.00 C ATOM 1804 C LYS B 213 18.255 2.216 4.389 1.00 0.00 C ATOM 1805 O LYS B 213 18.326 3.257 5.045 1.00 0.00 O ATOM 1806 CB LYS B 213 18.189 3.663 2.301 1.00 0.00 C ATOM 1807 CG LYS B 213 19.082 3.890 1.056 1.00 0.00 C ATOM 1808 CD LYS B 213 20.349 4.670 1.447 1.00 0.00 C ATOM 1809 CE LYS B 213 21.214 3.829 2.392 1.00 0.00 C ATOM 1810 NZ LYS B 213 22.467 4.573 2.709 1.00 0.00 N1+ ATOM 0 H LYS B 213 17.742 0.510 1.730 1.00 0.00 H new ATOM 0 HA LYS B 213 19.353 1.873 2.577 1.00 0.00 H new ATOM 0 HB2 LYS B 213 17.145 3.833 2.039 1.00 0.00 H new ATOM 0 HB3 LYS B 213 18.446 4.388 3.074 1.00 0.00 H new ATOM 0 HG2 LYS B 213 19.357 2.931 0.617 1.00 0.00 H new ATOM 0 HG3 LYS B 213 18.527 4.441 0.297 1.00 0.00 H new ATOM 0 HD2 LYS B 213 20.917 4.927 0.553 1.00 0.00 H new ATOM 0 HD3 LYS B 213 20.074 5.607 1.931 1.00 0.00 H new ATOM 0 HE2 LYS B 213 20.665 3.611 3.308 1.00 0.00 H new ATOM 0 HE3 LYS B 213 21.453 2.872 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 213 23.056 4.004 3.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 213 22.992 4.759 1.831 1.00 0.00 H new ATOM 0 HZ3 LYS B 213 22.228 5.476 3.167 1.00 0.00 H new ATOM 1824 N HIS B 214 18.106 1.045 4.946 1.00 0.00 N ATOM 1825 CA HIS B 214 18.018 0.944 6.442 1.00 0.00 C ATOM 1826 C HIS B 214 18.754 -0.302 6.933 1.00 0.00 C ATOM 1827 O HIS B 214 18.124 -1.323 7.211 1.00 0.00 O ATOM 1828 CB HIS B 214 16.552 0.840 6.878 1.00 0.00 C ATOM 1829 CG HIS B 214 16.458 1.120 8.350 1.00 0.00 C ATOM 1830 ND1 HIS B 214 17.012 0.273 9.300 1.00 0.00 N ATOM 1831 CD2 HIS B 214 15.875 2.143 9.055 1.00 0.00 C ATOM 1832 CE1 HIS B 214 16.755 0.798 10.511 1.00 0.00 C ATOM 1833 NE2 HIS B 214 16.064 1.937 10.418 1.00 0.00 N ATOM 0 H HIS B 214 18.041 0.160 4.442 1.00 0.00 H new ATOM 0 HA HIS B 214 18.474 1.837 6.869 1.00 0.00 H new ATOM 0 HB2 HIS B 214 15.942 1.551 6.320 1.00 0.00 H new ATOM 0 HB3 HIS B 214 16.164 -0.155 6.659 1.00 0.00 H new ATOM 0 HD1 HIS B 214 17.521 -0.591 9.113 1.00 0.00 H new ATOM 0 HD2 HIS B 214 15.350 2.980 8.619 1.00 0.00 H new ATOM 0 HE1 HIS B 214 17.069 0.353 11.444 1.00 0.00 H new ATOM 1841 N HIS B 215 20.059 -0.253 7.004 1.00 0.00 N ATOM 1842 CA HIS B 215 20.794 -1.476 7.424 1.00 0.00 C ATOM 1843 C HIS B 215 20.259 -1.949 8.758 1.00 0.00 C ATOM 1844 O HIS B 215 19.802 -1.160 9.585 1.00 0.00 O ATOM 1845 CB HIS B 215 22.283 -1.193 7.581 1.00 0.00 C ATOM 1846 CG HIS B 215 22.609 -0.953 9.021 1.00 0.00 C ATOM 1847 ND1 HIS B 215 22.331 0.244 9.663 1.00 0.00 N ATOM 1848 CD2 HIS B 215 23.211 -1.752 9.954 1.00 0.00 C ATOM 1849 CE1 HIS B 215 22.763 0.127 10.933 1.00 0.00 C ATOM 1850 NE2 HIS B 215 23.308 -1.071 11.161 1.00 0.00 N ATOM 0 H HIS B 215 20.634 0.563 6.794 1.00 0.00 H new ATOM 0 HA HIS B 215 20.652 -2.236 6.656 1.00 0.00 H new ATOM 0 HB2 HIS B 215 22.863 -2.035 7.204 1.00 0.00 H new ATOM 0 HB3 HIS B 215 22.561 -0.323 6.987 1.00 0.00 H new ATOM 0 HD1 HIS B 215 21.882 1.062 9.250 1.00 0.00 H new ATOM 0 HD2 HIS B 215 23.558 -2.760 9.779 1.00 0.00 H new ATOM 0 HE1 HIS B 215 22.679 0.906 11.676 1.00 0.00 H new ATOM 1858 N VAL B 216 20.315 -3.234 8.943 1.00 0.00 N ATOM 1859 CA VAL B 216 19.805 -3.829 10.222 1.00 0.00 C ATOM 1860 C VAL B 216 20.720 -4.971 10.653 1.00 0.00 C ATOM 1861 O VAL B 216 20.950 -5.880 9.878 1.00 0.00 O ATOM 1862 CB VAL B 216 18.391 -4.382 10.016 1.00 0.00 C ATOM 1863 CG1 VAL B 216 17.516 -3.346 9.313 1.00 0.00 C ATOM 1864 CG2 VAL B 216 18.463 -5.650 9.169 1.00 0.00 C ATOM 0 H VAL B 216 20.689 -3.904 8.271 1.00 0.00 H new ATOM 0 HA VAL B 216 19.787 -3.054 10.988 1.00 0.00 H new ATOM 0 HB VAL B 216 17.953 -4.612 10.987 1.00 0.00 H new ATOM 0 HG11 VAL B 216 16.514 -3.751 9.173 1.00 0.00 H new ATOM 0 HG12 VAL B 216 17.460 -2.443 9.922 1.00 0.00 H new ATOM 0 HG13 VAL B 216 17.948 -3.103 8.342 1.00 0.00 H new ATOM 0 HG21 VAL B 216 17.458 -6.046 9.021 1.00 0.00 H new ATOM 0 HG22 VAL B 216 18.908 -5.417 8.202 1.00 0.00 H new ATOM 0 HG23 VAL B 216 19.075 -6.394 9.679 1.00 0.00 H new ATOM 1874 N GLU B 217 21.203 -4.885 11.872 1.00 0.00 N ATOM 1875 CA GLU B 217 22.124 -5.925 12.481 1.00 0.00 C ATOM 1876 C GLU B 217 22.200 -7.233 11.662 1.00 0.00 C ATOM 1877 O GLU B 217 22.022 -8.321 12.206 1.00 0.00 O ATOM 1878 CB GLU B 217 21.617 -6.239 13.896 1.00 0.00 C ATOM 1879 CG GLU B 217 22.594 -7.162 14.632 1.00 0.00 C ATOM 1880 CD GLU B 217 21.842 -8.371 15.178 1.00 0.00 C ATOM 1881 OE1 GLU B 217 20.760 -8.181 15.707 1.00 0.00 O1- ATOM 1882 OE2 GLU B 217 22.361 -9.469 15.057 1.00 0.00 O ATOM 0 H GLU B 217 20.993 -4.109 12.500 1.00 0.00 H new ATOM 0 HA GLU B 217 23.132 -5.510 12.492 1.00 0.00 H new ATOM 0 HB2 GLU B 217 21.493 -5.312 14.457 1.00 0.00 H new ATOM 0 HB3 GLU B 217 20.636 -6.711 13.839 1.00 0.00 H new ATOM 0 HG2 GLU B 217 23.383 -7.487 13.954 1.00 0.00 H new ATOM 0 HG3 GLU B 217 23.076 -6.622 15.447 1.00 0.00 H new ATOM 1889 N THR B 218 22.437 -7.125 10.378 1.00 0.00 N ATOM 1890 CA THR B 218 22.506 -8.339 9.508 1.00 0.00 C ATOM 1891 C THR B 218 22.640 -7.904 8.042 1.00 0.00 C ATOM 1892 O THR B 218 22.012 -6.924 7.644 1.00 0.00 O ATOM 1893 CB THR B 218 21.223 -9.160 9.697 1.00 0.00 C ATOM 1894 OG1 THR B 218 21.426 -10.112 10.730 1.00 0.00 O ATOM 1895 CG2 THR B 218 20.839 -9.877 8.394 1.00 0.00 C ATOM 0 H THR B 218 22.587 -6.241 9.892 1.00 0.00 H new ATOM 0 HA THR B 218 23.369 -8.947 9.779 1.00 0.00 H new ATOM 0 HB THR B 218 20.409 -8.487 9.969 1.00 0.00 H new ATOM 0 HG1 THR B 218 21.927 -9.698 11.463 1.00 0.00 H new ATOM 0 HG21 THR B 218 19.927 -10.453 8.551 1.00 0.00 H new ATOM 0 HG22 THR B 218 20.672 -9.140 7.609 1.00 0.00 H new ATOM 0 HG23 THR B 218 21.645 -10.548 8.097 1.00 0.00 H new ATOM 1903 N ARG B 219 23.369 -8.639 7.228 1.00 0.00 N ATOM 1904 CA ARG B 219 23.427 -8.256 5.772 1.00 0.00 C ATOM 1905 C ARG B 219 23.751 -9.488 4.931 1.00 0.00 C ATOM 1906 O ARG B 219 24.764 -10.155 5.145 1.00 0.00 O ATOM 1907 CB ARG B 219 24.423 -7.073 5.498 1.00 0.00 C ATOM 1908 CG ARG B 219 25.131 -7.152 4.103 1.00 0.00 C ATOM 1909 CD ARG B 219 24.291 -6.489 2.988 1.00 0.00 C ATOM 1910 NE ARG B 219 24.806 -5.127 2.665 1.00 0.00 N ATOM 1911 CZ ARG B 219 25.799 -4.973 1.832 1.00 0.00 C ATOM 1912 NH1 ARG B 219 26.395 -6.011 1.313 1.00 0.00 N ATOM 1913 NH2 ARG B 219 26.194 -3.768 1.517 1.00 0.00 N ATOM 0 H ARG B 219 23.910 -9.461 7.495 1.00 0.00 H new ATOM 0 HA ARG B 219 22.446 -7.882 5.479 1.00 0.00 H new ATOM 0 HB2 ARG B 219 23.880 -6.130 5.566 1.00 0.00 H new ATOM 0 HB3 ARG B 219 25.182 -7.061 6.280 1.00 0.00 H new ATOM 0 HG2 ARG B 219 26.104 -6.664 4.162 1.00 0.00 H new ATOM 0 HG3 ARG B 219 25.313 -8.196 3.848 1.00 0.00 H new ATOM 0 HD2 ARG B 219 24.313 -7.111 2.093 1.00 0.00 H new ATOM 0 HD3 ARG B 219 23.250 -6.422 3.304 1.00 0.00 H new ATOM 0 HE ARG B 219 24.378 -4.309 3.099 1.00 0.00 H new ATOM 0 HH11 ARG B 219 26.086 -6.952 1.557 1.00 0.00 H new ATOM 0 HH12 ARG B 219 27.170 -5.882 0.663 1.00 0.00 H new ATOM 0 HH21 ARG B 219 25.727 -2.956 1.921 1.00 0.00 H new ATOM 0 HH22 ARG B 219 26.969 -3.639 0.867 1.00 0.00 H new ATOM 1927 N TRP B 220 22.899 -9.750 3.970 1.00 0.00 N ATOM 1928 CA TRP B 220 23.114 -10.911 3.062 1.00 0.00 C ATOM 1929 C TRP B 220 23.415 -10.398 1.654 1.00 0.00 C ATOM 1930 O TRP B 220 22.679 -9.567 1.116 1.00 0.00 O ATOM 1931 CB TRP B 220 21.859 -11.775 3.054 1.00 0.00 C ATOM 1932 CG TRP B 220 21.720 -12.418 4.387 1.00 0.00 C ATOM 1933 CD1 TRP B 220 20.893 -11.998 5.369 1.00 0.00 C ATOM 1934 CD2 TRP B 220 22.424 -13.576 4.904 1.00 0.00 C ATOM 1935 NE1 TRP B 220 21.046 -12.823 6.465 1.00 0.00 N ATOM 1936 CE2 TRP B 220 21.983 -13.822 6.227 1.00 0.00 C ATOM 1937 CE3 TRP B 220 23.393 -14.426 4.350 1.00 0.00 C ATOM 1938 CZ2 TRP B 220 22.502 -14.892 6.975 1.00 0.00 C ATOM 1939 CZ3 TRP B 220 23.912 -15.494 5.095 1.00 0.00 C ATOM 1940 CH2 TRP B 220 23.469 -15.726 6.403 1.00 0.00 C ATOM 0 H TRP B 220 22.060 -9.204 3.777 1.00 0.00 H new ATOM 0 HA TRP B 220 23.956 -11.510 3.408 1.00 0.00 H new ATOM 0 HB2 TRP B 220 20.982 -11.167 2.834 1.00 0.00 H new ATOM 0 HB3 TRP B 220 21.926 -12.533 2.273 1.00 0.00 H new ATOM 0 HD1 TRP B 220 20.222 -11.154 5.307 1.00 0.00 H new ATOM 0 HE1 TRP B 220 20.535 -12.713 7.341 1.00 0.00 H new ATOM 0 HE3 TRP B 220 23.742 -14.256 3.342 1.00 0.00 H new ATOM 0 HZ2 TRP B 220 22.157 -15.069 7.983 1.00 0.00 H new ATOM 0 HZ3 TRP B 220 24.658 -16.141 4.658 1.00 0.00 H new ATOM 0 HH2 TRP B 220 23.874 -16.550 6.971 1.00 0.00 H new ATOM 1951 N HIS B 221 24.491 -10.878 1.082 1.00 0.00 N ATOM 1952 CA HIS B 221 24.887 -10.425 -0.285 1.00 0.00 C ATOM 1953 C HIS B 221 24.646 -11.554 -1.287 1.00 0.00 C ATOM 1954 O HIS B 221 25.342 -12.567 -1.278 1.00 0.00 O ATOM 1955 CB HIS B 221 26.368 -10.026 -0.286 1.00 0.00 C ATOM 1956 CG HIS B 221 26.704 -9.332 -1.580 1.00 0.00 C ATOM 1957 ND1 HIS B 221 27.142 -8.016 -1.616 1.00 0.00 N ATOM 1958 CD2 HIS B 221 26.650 -9.740 -2.892 1.00 0.00 C ATOM 1959 CE1 HIS B 221 27.330 -7.683 -2.906 1.00 0.00 C ATOM 1960 NE2 HIS B 221 27.045 -8.695 -3.722 1.00 0.00 N ATOM 0 H HIS B 221 25.114 -11.566 1.505 1.00 0.00 H new ATOM 0 HA HIS B 221 24.287 -9.561 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS B 221 26.578 -9.367 0.557 1.00 0.00 H new ATOM 0 HB3 HIS B 221 26.993 -10.910 -0.163 1.00 0.00 H new ATOM 0 HD1 HIS B 221 27.294 -7.410 -0.810 1.00 0.00 H new ATOM 0 HD2 HIS B 221 26.347 -10.721 -3.227 1.00 0.00 H new ATOM 0 HE1 HIS B 221 27.670 -6.713 -3.238 1.00 0.00 H new ATOM 1968 N CYS B 222 23.667 -11.369 -2.134 1.00 0.00 N ATOM 1969 CA CYS B 222 23.332 -12.402 -3.160 1.00 0.00 C ATOM 1970 C CYS B 222 24.400 -12.393 -4.259 1.00 0.00 C ATOM 1971 O CYS B 222 24.731 -11.335 -4.794 1.00 0.00 O ATOM 1972 CB CYS B 222 21.947 -12.078 -3.752 1.00 0.00 C ATOM 1973 SG CYS B 222 21.538 -13.290 -5.023 1.00 0.00 S ATOM 0 H CYS B 222 23.078 -10.536 -2.159 1.00 0.00 H new ATOM 0 HA CYS B 222 23.308 -13.393 -2.707 1.00 0.00 H new ATOM 0 HB2 CYS B 222 21.192 -12.090 -2.966 1.00 0.00 H new ATOM 0 HB3 CYS B 222 21.947 -11.075 -4.178 1.00 0.00 H new ATOM 1978 N THR B 223 24.943 -13.550 -4.597 1.00 0.00 N ATOM 1979 CA THR B 223 25.994 -13.583 -5.655 1.00 0.00 C ATOM 1980 C THR B 223 25.343 -13.533 -7.033 1.00 0.00 C ATOM 1981 O THR B 223 25.581 -12.592 -7.778 1.00 0.00 O ATOM 1982 CB THR B 223 26.832 -14.858 -5.531 1.00 0.00 C ATOM 1983 OG1 THR B 223 27.197 -15.054 -4.173 1.00 0.00 O ATOM 1984 CG2 THR B 223 28.098 -14.725 -6.382 1.00 0.00 C ATOM 0 H THR B 223 24.703 -14.453 -4.188 1.00 0.00 H new ATOM 0 HA THR B 223 26.644 -12.717 -5.529 1.00 0.00 H new ATOM 0 HB THR B 223 26.248 -15.710 -5.879 1.00 0.00 H new ATOM 0 HG1 THR B 223 27.732 -15.871 -4.093 1.00 0.00 H new ATOM 0 HG21 THR B 223 28.694 -15.634 -6.293 1.00 0.00 H new ATOM 0 HG22 THR B 223 27.821 -14.574 -7.425 1.00 0.00 H new ATOM 0 HG23 THR B 223 28.682 -13.873 -6.035 1.00 0.00 H new ATOM 1992 N VAL B 224 24.620 -14.567 -7.393 1.00 0.00 N ATOM 1993 CA VAL B 224 24.009 -14.640 -8.758 1.00 0.00 C ATOM 1994 C VAL B 224 23.662 -13.238 -9.289 1.00 0.00 C ATOM 1995 O VAL B 224 23.971 -12.913 -10.435 1.00 0.00 O ATOM 1996 CB VAL B 224 22.740 -15.538 -8.723 1.00 0.00 C ATOM 1997 CG1 VAL B 224 22.114 -15.692 -10.111 1.00 0.00 C ATOM 1998 CG2 VAL B 224 23.112 -16.919 -8.175 1.00 0.00 C ATOM 0 H VAL B 224 24.426 -15.370 -6.794 1.00 0.00 H new ATOM 0 HA VAL B 224 24.739 -15.081 -9.437 1.00 0.00 H new ATOM 0 HB VAL B 224 22.005 -15.058 -8.077 1.00 0.00 H new ATOM 0 HG11 VAL B 224 21.230 -16.326 -10.043 1.00 0.00 H new ATOM 0 HG12 VAL B 224 21.829 -14.712 -10.492 1.00 0.00 H new ATOM 0 HG13 VAL B 224 22.837 -16.148 -10.788 1.00 0.00 H new ATOM 0 HG21 VAL B 224 22.225 -17.551 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL B 224 23.864 -17.375 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL B 224 23.513 -16.815 -7.167 1.00 0.00 H new ATOM 2008 N CYS B 225 23.003 -12.444 -8.487 1.00 0.00 N ATOM 2009 CA CYS B 225 22.587 -11.077 -8.955 1.00 0.00 C ATOM 2010 C CYS B 225 23.740 -10.076 -8.815 1.00 0.00 C ATOM 2011 O CYS B 225 23.754 -9.041 -9.481 1.00 0.00 O ATOM 2012 CB CYS B 225 21.581 -10.843 -8.239 1.00 0.00 C ATOM 2013 SG CYS B 225 20.105 -11.893 -8.208 1.00 0.00 S ATOM 0 H CYS B 225 22.733 -12.676 -7.531 1.00 0.00 H new ATOM 0 HA CYS B 225 22.339 -11.001 -10.014 1.00 0.00 H new ATOM 0 HB2 CYS B 225 21.942 -10.791 -7.212 1.00 0.00 H new ATOM 0 HB3 CYS B 225 21.240 -9.843 -8.508 1.00 0.00 H new ATOM 2018 N GLU B 226 24.701 -10.420 -8.002 1.00 0.00 N ATOM 2019 CA GLU B 226 25.917 -9.560 -7.802 1.00 0.00 C ATOM 2020 C GLU B 226 25.543 -8.111 -7.465 1.00 0.00 C ATOM 2021 O GLU B 226 24.512 -7.594 -7.889 1.00 0.00 O ATOM 2022 CB GLU B 226 26.780 -9.586 -9.071 1.00 0.00 C ATOM 2023 CG GLU B 226 28.082 -8.808 -8.840 1.00 0.00 C ATOM 2024 CD GLU B 226 28.950 -9.542 -7.823 1.00 0.00 C ATOM 2025 OE1 GLU B 226 28.611 -10.664 -7.482 1.00 0.00 O1- ATOM 2026 OE2 GLU B 226 29.939 -8.970 -7.399 1.00 0.00 O ATOM 0 H GLU B 226 24.700 -11.280 -7.453 1.00 0.00 H new ATOM 0 HA GLU B 226 26.476 -9.965 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU B 226 27.007 -10.616 -9.345 1.00 0.00 H new ATOM 0 HB3 GLU B 226 26.229 -9.149 -9.904 1.00 0.00 H new ATOM 0 HG2 GLU B 226 28.622 -8.698 -9.780 1.00 0.00 H new ATOM 0 HG3 GLU B 226 27.857 -7.803 -8.482 1.00 0.00 H new ATOM 2033 N ASP B 227 26.402 -7.479 -6.711 1.00 0.00 N ATOM 2034 CA ASP B 227 26.167 -6.057 -6.317 1.00 0.00 C ATOM 2035 C ASP B 227 24.752 -5.913 -5.800 1.00 0.00 C ATOM 2036 O ASP B 227 24.161 -4.835 -5.870 1.00 0.00 O ATOM 2037 CB ASP B 227 26.352 -5.127 -7.519 1.00 0.00 C ATOM 2038 CG ASP B 227 27.830 -5.028 -7.873 1.00 0.00 C ATOM 2039 OD1 ASP B 227 28.645 -5.407 -7.049 1.00 0.00 O1- ATOM 2040 OD2 ASP B 227 28.129 -4.566 -8.965 1.00 0.00 O ATOM 0 H ASP B 227 27.263 -7.889 -6.348 1.00 0.00 H new ATOM 0 HA ASP B 227 26.885 -5.785 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP B 227 25.789 -5.505 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP B 227 25.957 -4.138 -7.289 1.00 0.00 H new ATOM 2045 N TYR B 228 24.228 -6.985 -5.283 1.00 0.00 N ATOM 2046 CA TYR B 228 22.843 -6.948 -4.744 1.00 0.00 C ATOM 2047 C TYR B 228 22.936 -7.189 -3.245 1.00 0.00 C ATOM 2048 O TYR B 228 23.468 -8.212 -2.811 1.00 0.00 O ATOM 2049 CB TYR B 228 22.010 -8.034 -5.426 1.00 0.00 C ATOM 2050 CG TYR B 228 20.544 -7.692 -5.340 1.00 0.00 C ATOM 2051 CD1 TYR B 228 20.042 -6.612 -6.074 1.00 0.00 C ATOM 2052 CD2 TYR B 228 19.684 -8.462 -4.548 1.00 0.00 C ATOM 2053 CE1 TYR B 228 18.682 -6.295 -6.014 1.00 0.00 C ATOM 2054 CE2 TYR B 228 18.322 -8.145 -4.487 1.00 0.00 C ATOM 2055 CZ TYR B 228 17.821 -7.061 -5.221 1.00 0.00 C ATOM 2056 OH TYR B 228 16.478 -6.753 -5.163 1.00 0.00 O ATOM 0 H TYR B 228 24.699 -7.887 -5.210 1.00 0.00 H new ATOM 0 HA TYR B 228 22.362 -5.989 -4.934 1.00 0.00 H new ATOM 0 HB2 TYR B 228 22.308 -8.130 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR B 228 22.195 -8.997 -4.951 1.00 0.00 H new ATOM 0 HD1 TYR B 228 20.706 -6.022 -6.688 1.00 0.00 H new ATOM 0 HD2 TYR B 228 20.071 -9.299 -3.985 1.00 0.00 H new ATOM 0 HE1 TYR B 228 18.296 -5.460 -6.579 1.00 0.00 H new ATOM 0 HE2 TYR B 228 17.657 -8.736 -3.874 1.00 0.00 H new ATOM 0 HH TYR B 228 16.023 -7.384 -4.567 1.00 0.00 H new ATOM 2066 N ASP B 229 22.444 -6.252 -2.471 1.00 0.00 N ATOM 2067 CA ASP B 229 22.515 -6.407 -0.973 1.00 0.00 C ATOM 2068 C ASP B 229 21.113 -6.309 -0.376 1.00 0.00 C ATOM 2069 O ASP B 229 20.302 -5.485 -0.794 1.00 0.00 O ATOM 2070 CB ASP B 229 23.481 -5.380 -0.336 1.00 0.00 C ATOM 2071 CG ASP B 229 24.888 -5.606 -0.862 1.00 0.00 C ATOM 2072 OD1 ASP B 229 25.326 -6.738 -0.830 1.00 0.00 O ATOM 2073 OD2 ASP B 229 25.505 -4.643 -1.292 1.00 0.00 O1- ATOM 0 H ASP B 229 22.000 -5.395 -2.801 1.00 0.00 H new ATOM 0 HA ASP B 229 22.920 -7.393 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP B 229 23.154 -4.366 -0.568 1.00 0.00 H new ATOM 0 HB3 ASP B 229 23.468 -5.479 0.749 1.00 0.00 H new ATOM 2078 N LEU B 230 20.834 -7.179 0.570 1.00 0.00 N ATOM 2079 CA LEU B 230 19.478 -7.210 1.204 1.00 0.00 C ATOM 2080 C LEU B 230 19.576 -7.218 2.745 1.00 0.00 C ATOM 2081 O LEU B 230 20.500 -7.791 3.319 1.00 0.00 O ATOM 2082 CB LEU B 230 18.746 -8.472 0.721 1.00 0.00 C ATOM 2083 CG LEU B 230 18.487 -8.385 -0.789 1.00 0.00 C ATOM 2084 CD1 LEU B 230 17.853 -9.689 -1.282 1.00 0.00 C ATOM 2085 CD2 LEU B 230 17.538 -7.222 -1.091 1.00 0.00 C ATOM 0 H LEU B 230 21.492 -7.871 0.930 1.00 0.00 H new ATOM 0 HA LEU B 230 18.930 -6.314 0.914 1.00 0.00 H new ATOM 0 HB2 LEU B 230 19.343 -9.356 0.945 1.00 0.00 H new ATOM 0 HB3 LEU B 230 17.802 -8.581 1.254 1.00 0.00 H new ATOM 0 HG LEU B 230 19.436 -8.222 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU B 230 17.671 -9.622 -2.355 1.00 0.00 H new ATOM 0 HD12 LEU B 230 18.528 -10.521 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU B 230 16.909 -9.853 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU B 230 17.360 -7.167 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU B 230 16.592 -7.381 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU B 230 17.986 -6.289 -0.750 1.00 0.00 H new ATOM 2097 N CYS B 231 18.591 -6.610 3.384 1.00 0.00 N ATOM 2098 CA CYS B 231 18.547 -6.579 4.895 1.00 0.00 C ATOM 2099 C CYS B 231 17.531 -7.622 5.383 1.00 0.00 C ATOM 2100 O CYS B 231 16.972 -8.369 4.581 1.00 0.00 O ATOM 2101 CB CYS B 231 18.153 -5.001 5.548 1.00 0.00 C ATOM 2102 SG CYS B 231 16.476 -4.753 4.919 1.00 0.00 S ATOM 0 H CYS B 231 17.815 -6.134 2.924 1.00 0.00 H new ATOM 0 HA CYS B 231 19.548 -6.813 5.256 1.00 0.00 H new ATOM 0 HB2 CYS B 231 18.188 -4.988 6.637 1.00 0.00 H new ATOM 0 HB3 CYS B 231 18.840 -4.230 5.198 1.00 0.00 H new ATOM 2107 N ILE B 232 17.319 -7.677 6.677 1.00 0.00 N ATOM 2108 CA ILE B 232 16.362 -8.673 7.260 1.00 0.00 C ATOM 2109 C ILE B 232 14.917 -8.343 6.824 1.00 0.00 C ATOM 2110 O ILE B 232 14.055 -9.218 6.753 1.00 0.00 O ATOM 2111 CB ILE B 232 16.470 -8.645 8.795 1.00 0.00 C ATOM 2112 CG1 ILE B 232 17.844 -9.163 9.239 1.00 0.00 C ATOM 2113 CG2 ILE B 232 15.360 -9.494 9.432 1.00 0.00 C ATOM 2114 CD1 ILE B 232 17.987 -9.131 10.766 1.00 0.00 C ATOM 0 H ILE B 232 17.772 -7.070 7.360 1.00 0.00 H new ATOM 0 HA ILE B 232 16.614 -9.669 6.897 1.00 0.00 H new ATOM 0 HB ILE B 232 16.353 -7.614 9.128 1.00 0.00 H new ATOM 0 HG12 ILE B 232 17.983 -10.183 8.880 1.00 0.00 H new ATOM 0 HG13 ILE B 232 18.627 -8.556 8.786 1.00 0.00 H new ATOM 0 HG21 ILE B 232 15.454 -9.461 10.517 1.00 0.00 H new ATOM 0 HG22 ILE B 232 14.387 -9.099 9.140 1.00 0.00 H new ATOM 0 HG23 ILE B 232 15.450 -10.525 9.091 1.00 0.00 H new ATOM 0 HD11 ILE B 232 18.972 -9.504 11.047 1.00 0.00 H new ATOM 0 HD12 ILE B 232 17.872 -8.107 11.121 1.00 0.00 H new ATOM 0 HD13 ILE B 232 17.219 -9.759 11.217 1.00 0.00 H new ATOM 2126 N ASN B 233 14.672 -7.092 6.542 1.00 0.00 N ATOM 2127 CA ASN B 233 13.297 -6.662 6.117 1.00 0.00 C ATOM 2128 C ASN B 233 13.014 -7.034 4.658 1.00 0.00 C ATOM 2129 O ASN B 233 12.035 -7.720 4.365 1.00 0.00 O ATOM 2130 CB ASN B 233 13.144 -5.145 6.293 1.00 0.00 C ATOM 2131 CG ASN B 233 11.809 -4.672 5.714 1.00 0.00 C ATOM 2132 OD1 ASN B 233 10.765 -5.239 6.033 1.00 0.00 O ATOM 2133 ND2 ASN B 233 11.778 -3.667 4.885 1.00 0.00 N ATOM 0 H ASN B 233 15.363 -6.343 6.586 1.00 0.00 H new ATOM 0 HA ASN B 233 12.579 -7.185 6.748 1.00 0.00 H new ATOM 0 HB2 ASN B 233 13.200 -4.888 7.351 1.00 0.00 H new ATOM 0 HB3 ASN B 233 13.966 -4.630 5.796 1.00 0.00 H new ATOM 0 HD21 ASN B 233 10.888 -3.350 4.500 1.00 0.00 H new ATOM 0 HD22 ASN B 233 12.644 -3.197 4.621 1.00 0.00 H new ATOM 2140 N CYS B 234 13.817 -6.534 3.762 1.00 0.00 N ATOM 2141 CA CYS B 234 13.571 -6.786 2.308 1.00 0.00 C ATOM 2142 C CYS B 234 13.647 -8.292 2.033 1.00 0.00 C ATOM 2143 O CYS B 234 12.839 -8.843 1.289 1.00 0.00 O ATOM 2144 CB CYS B 234 14.506 -6.087 1.681 1.00 0.00 C ATOM 2145 SG CYS B 234 14.521 -4.289 1.797 1.00 0.00 S ATOM 0 H CYS B 234 14.635 -5.961 3.970 1.00 0.00 H new ATOM 0 HA CYS B 234 12.583 -6.478 1.965 1.00 0.00 H new ATOM 0 HB2 CYS B 234 15.472 -6.443 2.041 1.00 0.00 H new ATOM 0 HB3 CYS B 234 14.446 -6.343 0.623 1.00 0.00 H new ATOM 2150 N TYR B 235 14.609 -8.926 2.632 1.00 0.00 N ATOM 2151 CA TYR B 235 14.790 -10.398 2.447 1.00 0.00 C ATOM 2152 C TYR B 235 13.542 -11.163 2.885 1.00 0.00 C ATOM 2153 O TYR B 235 13.058 -12.037 2.166 1.00 0.00 O ATOM 2154 CB TYR B 235 15.997 -10.877 3.254 1.00 0.00 C ATOM 2155 CG TYR B 235 16.002 -12.386 3.292 1.00 0.00 C ATOM 2156 CD1 TYR B 235 16.223 -13.126 2.123 1.00 0.00 C ATOM 2157 CD2 TYR B 235 15.792 -13.048 4.509 1.00 0.00 C ATOM 2158 CE1 TYR B 235 16.231 -14.526 2.172 1.00 0.00 C ATOM 2159 CE2 TYR B 235 15.798 -14.443 4.558 1.00 0.00 C ATOM 2160 CZ TYR B 235 16.018 -15.185 3.391 1.00 0.00 C ATOM 2161 OH TYR B 235 16.026 -16.562 3.439 1.00 0.00 O ATOM 0 H TYR B 235 15.290 -8.486 3.251 1.00 0.00 H new ATOM 0 HA TYR B 235 14.958 -10.591 1.387 1.00 0.00 H new ATOM 0 HB2 TYR B 235 16.919 -10.510 2.804 1.00 0.00 H new ATOM 0 HB3 TYR B 235 15.955 -10.476 4.267 1.00 0.00 H new ATOM 0 HD1 TYR B 235 16.387 -12.617 1.185 1.00 0.00 H new ATOM 0 HD2 TYR B 235 15.625 -12.478 5.411 1.00 0.00 H new ATOM 0 HE1 TYR B 235 16.401 -15.097 1.271 1.00 0.00 H new ATOM 0 HE2 TYR B 235 15.633 -14.951 5.497 1.00 0.00 H new ATOM 0 HH TYR B 235 15.864 -16.858 4.359 1.00 0.00 H new ATOM 2171 N ASN B 236 13.036 -10.841 4.039 1.00 0.00 N ATOM 2172 CA ASN B 236 11.819 -11.536 4.548 1.00 0.00 C ATOM 2173 C ASN B 236 10.599 -11.190 3.689 1.00 0.00 C ATOM 2174 O ASN B 236 9.767 -12.052 3.404 1.00 0.00 O ATOM 2175 CB ASN B 236 11.555 -11.129 6.004 1.00 0.00 C ATOM 2176 CG ASN B 236 12.541 -11.832 6.938 1.00 0.00 C ATOM 2177 OD1 ASN B 236 13.176 -12.810 6.546 1.00 0.00 O ATOM 2178 ND2 ASN B 236 12.717 -11.380 8.156 1.00 0.00 N ATOM 0 H ASN B 236 13.413 -10.123 4.657 1.00 0.00 H new ATOM 0 HA ASN B 236 11.990 -12.611 4.496 1.00 0.00 H new ATOM 0 HB2 ASN B 236 11.651 -10.048 6.110 1.00 0.00 H new ATOM 0 HB3 ASN B 236 10.533 -11.387 6.282 1.00 0.00 H new ATOM 0 HD21 ASN B 236 13.381 -11.839 8.779 1.00 0.00 H new ATOM 0 HD22 ASN B 236 12.190 -10.569 8.480 1.00 0.00 H new ATOM 2185 N THR B 237 10.487 -9.944 3.319 1.00 0.00 N ATOM 2186 CA THR B 237 9.307 -9.511 2.510 1.00 0.00 C ATOM 2187 C THR B 237 9.438 -9.954 1.052 1.00 0.00 C ATOM 2188 O THR B 237 8.517 -10.551 0.495 1.00 0.00 O ATOM 2189 CB THR B 237 9.178 -7.983 2.562 1.00 0.00 C ATOM 2190 OG1 THR B 237 9.251 -7.557 3.915 1.00 0.00 O ATOM 2191 CG2 THR B 237 7.834 -7.554 1.964 1.00 0.00 C ATOM 0 H THR B 237 11.157 -9.208 3.540 1.00 0.00 H new ATOM 0 HA THR B 237 8.419 -9.979 2.935 1.00 0.00 H new ATOM 0 HB THR B 237 9.985 -7.530 1.987 1.00 0.00 H new ATOM 0 HG1 THR B 237 10.187 -7.552 4.206 1.00 0.00 H new ATOM 0 HG21 THR B 237 7.748 -6.468 2.004 1.00 0.00 H new ATOM 0 HG22 THR B 237 7.775 -7.885 0.927 1.00 0.00 H new ATOM 0 HG23 THR B 237 7.022 -8.003 2.535 1.00 0.00 H new ATOM 2199 N LYS B 238 10.555 -9.656 0.444 1.00 0.00 N ATOM 2200 CA LYS B 238 10.746 -10.045 -0.996 1.00 0.00 C ATOM 2201 C LYS B 238 10.852 -11.564 -1.131 1.00 0.00 C ATOM 2202 O LYS B 238 10.303 -12.144 -2.066 1.00 0.00 O ATOM 2203 CB LYS B 238 12.007 -9.397 -1.573 1.00 0.00 C ATOM 2204 CG LYS B 238 11.749 -7.904 -1.827 1.00 0.00 C ATOM 2205 CD LYS B 238 12.933 -7.264 -2.565 1.00 0.00 C ATOM 2206 CE LYS B 238 12.601 -5.829 -2.990 1.00 0.00 C ATOM 2207 NZ LYS B 238 13.484 -5.416 -4.113 1.00 0.00 N1+ ATOM 0 H LYS B 238 11.340 -9.165 0.872 1.00 0.00 H new ATOM 0 HA LYS B 238 9.878 -9.692 -1.553 1.00 0.00 H new ATOM 0 HB2 LYS B 238 12.840 -9.520 -0.881 1.00 0.00 H new ATOM 0 HB3 LYS B 238 12.289 -9.891 -2.503 1.00 0.00 H new ATOM 0 HG2 LYS B 238 10.839 -7.782 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS B 238 11.586 -7.392 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS B 238 13.811 -7.262 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS B 238 13.184 -7.859 -3.443 1.00 0.00 H new ATOM 0 HE2 LYS B 238 11.556 -5.763 -3.294 1.00 0.00 H new ATOM 0 HE3 LYS B 238 12.731 -5.151 -2.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 238 14.016 -4.564 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS B 238 14.149 -6.185 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 238 12.905 -5.210 -4.952 1.00 0.00 H new ATOM 2221 N SER B 239 11.565 -12.195 -0.226 1.00 0.00 N ATOM 2222 CA SER B 239 11.737 -13.678 -0.307 1.00 0.00 C ATOM 2223 C SER B 239 12.800 -14.002 -1.361 1.00 0.00 C ATOM 2224 O SER B 239 12.621 -14.889 -2.194 1.00 0.00 O ATOM 2225 CB SER B 239 10.409 -14.345 -0.676 1.00 0.00 C ATOM 2226 OG SER B 239 10.240 -15.534 0.087 1.00 0.00 O ATOM 0 H SER B 239 12.033 -11.747 0.562 1.00 0.00 H new ATOM 0 HA SER B 239 12.056 -14.060 0.663 1.00 0.00 H new ATOM 0 HB2 SER B 239 9.582 -13.660 -0.487 1.00 0.00 H new ATOM 0 HB3 SER B 239 10.392 -14.579 -1.740 1.00 0.00 H new ATOM 0 HG SER B 239 9.389 -15.957 -0.151 1.00 0.00 H new ATOM 2232 N HIS B 240 13.888 -13.277 -1.322 1.00 0.00 N ATOM 2233 CA HIS B 240 14.988 -13.491 -2.317 1.00 0.00 C ATOM 2234 C HIS B 240 15.997 -14.490 -1.754 1.00 0.00 C ATOM 2235 O HIS B 240 16.829 -14.123 -0.926 1.00 0.00 O ATOM 2236 CB HIS B 240 14.596 -11.984 -4.301 1.00 0.00 C ATOM 2237 CG HIS B 240 16.002 -11.894 -4.826 1.00 0.00 C ATOM 2238 ND1 HIS B 240 16.521 -10.704 -5.328 1.00 0.00 N ATOM 2239 CD2 HIS B 240 17.040 -12.795 -4.841 1.00 0.00 C ATOM 2240 CE1 HIS B 240 17.820 -10.914 -5.601 1.00 0.00 C ATOM 2241 NE2 HIS B 240 18.179 -12.164 -5.313 1.00 0.00 N ATOM 0 H HIS B 240 14.065 -12.540 -0.640 1.00 0.00 H new ATOM 0 HA HIS B 240 15.707 -13.762 -3.090 1.00 0.00 H new ATOM 0 HB2 HIS B 240 13.905 -12.416 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS B 240 14.192 -11.012 -4.016 1.00 0.00 H new ATOM 0 HD1 HIS B 240 16.009 -9.832 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS B 240 16.977 -13.829 -4.534 1.00 0.00 H new ATOM 0 HE1 HIS B 240 18.487 -10.165 -6.002 1.00 0.00 H new ATOM 2249 N ALA B 241 15.930 -15.732 -2.167 1.00 0.00 N ATOM 2250 CA ALA B 241 16.900 -16.725 -1.601 1.00 0.00 C ATOM 2251 C ALA B 241 18.274 -16.557 -2.258 1.00 0.00 C ATOM 2252 O ALA B 241 19.053 -15.710 -1.827 1.00 0.00 O ATOM 2253 CB ALA B 241 16.376 -18.141 -1.852 1.00 0.00 C ATOM 0 H ALA B 241 15.267 -16.096 -2.851 1.00 0.00 H new ATOM 0 HA ALA B 241 17.002 -16.556 -0.529 1.00 0.00 H new ATOM 0 HB1 ALA B 241 17.078 -18.867 -1.442 1.00 0.00 H new ATOM 0 HB2 ALA B 241 15.406 -18.261 -1.369 1.00 0.00 H new ATOM 0 HB3 ALA B 241 16.270 -18.305 -2.924 1.00 0.00 H new ATOM 2259 N HIS B 242 18.577 -17.357 -3.263 1.00 0.00 N ATOM 2260 CA HIS B 242 19.906 -17.293 -3.932 1.00 0.00 C ATOM 2261 C HIS B 242 21.000 -17.473 -2.874 1.00 0.00 C ATOM 2262 O HIS B 242 21.085 -16.716 -1.923 1.00 0.00 O ATOM 2263 CB HIS B 242 20.090 -15.984 -4.706 1.00 0.00 C ATOM 2264 CG HIS B 242 19.091 -15.964 -5.839 1.00 0.00 C ATOM 2265 ND1 HIS B 242 19.037 -14.939 -6.765 1.00 0.00 N ATOM 2266 CD2 HIS B 242 18.076 -16.823 -6.188 1.00 0.00 C ATOM 2267 CE1 HIS B 242 18.028 -15.182 -7.615 1.00 0.00 C ATOM 2268 NE2 HIS B 242 17.406 -16.324 -7.308 1.00 0.00 N ATOM 0 H HIS B 242 17.943 -18.058 -3.646 1.00 0.00 H new ATOM 0 HA HIS B 242 19.974 -18.096 -4.666 1.00 0.00 H new ATOM 0 HB2 HIS B 242 19.937 -15.128 -4.048 1.00 0.00 H new ATOM 0 HB3 HIS B 242 21.106 -15.910 -5.093 1.00 0.00 H new ATOM 0 HD2 HIS B 242 17.834 -17.742 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS B 242 17.755 -14.539 -8.439 1.00 0.00 H new ATOM 0 HE2 HIS B 242 16.610 -16.743 -7.789 1.00 0.00 H new ATOM 2276 N LYS B 243 21.793 -18.503 -3.011 1.00 0.00 N ATOM 2277 CA LYS B 243 22.855 -18.774 -1.986 1.00 0.00 C ATOM 2278 C LYS B 243 23.601 -17.494 -1.619 1.00 0.00 C ATOM 2279 O LYS B 243 24.559 -17.100 -2.285 1.00 0.00 O ATOM 2280 CB LYS B 243 23.849 -19.802 -2.530 1.00 0.00 C ATOM 2281 CG LYS B 243 23.164 -21.164 -2.696 1.00 0.00 C ATOM 2282 CD LYS B 243 24.169 -22.192 -3.233 1.00 0.00 C ATOM 2283 CE LYS B 243 23.499 -23.563 -3.409 1.00 0.00 C ATOM 2284 NZ LYS B 243 24.478 -24.552 -3.948 1.00 0.00 N1+ ATOM 0 H LYS B 243 21.755 -19.168 -3.783 1.00 0.00 H new ATOM 0 HA LYS B 243 22.372 -19.164 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS B 243 24.243 -19.466 -3.489 1.00 0.00 H new ATOM 0 HB3 LYS B 243 24.697 -19.893 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS B 243 22.764 -21.499 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS B 243 22.320 -21.076 -3.380 1.00 0.00 H new ATOM 0 HD2 LYS B 243 24.570 -21.852 -4.188 1.00 0.00 H new ATOM 0 HD3 LYS B 243 25.011 -22.278 -2.546 1.00 0.00 H new ATOM 0 HE2 LYS B 243 23.110 -23.911 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS B 243 22.649 -23.476 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 243 24.012 -25.475 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 243 24.830 -24.225 -4.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 243 25.276 -24.646 -3.287 1.00 0.00 H new ATOM 2298 N MET B 244 23.147 -16.860 -0.572 1.00 0.00 N ATOM 2299 CA MET B 244 23.794 -15.592 -0.122 1.00 0.00 C ATOM 2300 C MET B 244 24.910 -15.896 0.861 1.00 0.00 C ATOM 2301 O MET B 244 24.860 -16.883 1.594 1.00 0.00 O ATOM 2302 CB MET B 244 22.776 -14.669 0.539 1.00 0.00 C ATOM 2303 CG MET B 244 21.494 -14.710 -0.268 1.00 0.00 C ATOM 2304 SD MET B 244 20.375 -13.409 0.306 1.00 0.00 S ATOM 2305 CE MET B 244 19.739 -14.272 1.758 1.00 0.00 C ATOM 0 H MET B 244 22.354 -17.165 -0.007 1.00 0.00 H new ATOM 0 HA MET B 244 24.205 -15.092 -0.999 1.00 0.00 H new ATOM 0 HB2 MET B 244 22.588 -14.985 1.565 1.00 0.00 H new ATOM 0 HB3 MET B 244 23.162 -13.651 0.585 1.00 0.00 H new ATOM 0 HG2 MET B 244 21.714 -14.574 -1.327 1.00 0.00 H new ATOM 0 HG3 MET B 244 21.018 -15.685 -0.164 1.00 0.00 H new ATOM 0 HE1 MET B 244 19.031 -13.630 2.281 1.00 0.00 H new ATOM 0 HE2 MET B 244 19.237 -15.188 1.446 1.00 0.00 H new ATOM 0 HE3 MET B 244 20.565 -14.520 2.425 1.00 0.00 H new ATOM 2315 N VAL B 245 25.888 -15.031 0.883 1.00 0.00 N ATOM 2316 CA VAL B 245 27.028 -15.206 1.828 1.00 0.00 C ATOM 2317 C VAL B 245 27.027 -14.029 2.805 1.00 0.00 C ATOM 2318 O VAL B 245 27.123 -12.871 2.395 1.00 0.00 O ATOM 2319 CB VAL B 245 28.346 -15.263 1.040 1.00 0.00 C ATOM 2320 CG1 VAL B 245 28.574 -16.690 0.537 1.00 0.00 C ATOM 2321 CG2 VAL B 245 28.275 -14.320 -0.168 1.00 0.00 C ATOM 0 H VAL B 245 25.946 -14.207 0.284 1.00 0.00 H new ATOM 0 HA VAL B 245 26.927 -16.138 2.385 1.00 0.00 H new ATOM 0 HB VAL B 245 29.164 -14.959 1.693 1.00 0.00 H new ATOM 0 HG11 VAL B 245 29.508 -16.734 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL B 245 28.628 -17.371 1.386 1.00 0.00 H new ATOM 0 HG13 VAL B 245 27.749 -16.983 -0.112 1.00 0.00 H new ATOM 0 HG21 VAL B 245 29.213 -14.366 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL B 245 27.455 -14.623 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL B 245 28.107 -13.300 0.176 1.00 0.00 H new ATOM 2331 N LYS B 246 26.917 -14.326 4.080 1.00 0.00 N ATOM 2332 CA LYS B 246 26.900 -13.233 5.102 1.00 0.00 C ATOM 2333 C LYS B 246 28.262 -12.553 5.077 1.00 0.00 C ATOM 2334 O LYS B 246 29.282 -13.202 5.300 1.00 0.00 O ATOM 2335 CB LYS B 246 26.606 -13.855 6.505 1.00 0.00 C ATOM 2336 CG LYS B 246 27.018 -12.913 7.676 1.00 0.00 C ATOM 2337 CD LYS B 246 26.104 -11.669 7.730 1.00 0.00 C ATOM 2338 CE LYS B 246 25.173 -11.702 8.963 1.00 0.00 C ATOM 2339 NZ LYS B 246 23.823 -11.213 8.574 1.00 0.00 N1+ ATOM 0 H LYS B 246 26.839 -15.272 4.453 1.00 0.00 H new ATOM 0 HA LYS B 246 26.125 -12.497 4.888 1.00 0.00 H new ATOM 0 HB2 LYS B 246 25.543 -14.081 6.582 1.00 0.00 H new ATOM 0 HB3 LYS B 246 27.141 -14.800 6.599 1.00 0.00 H new ATOM 0 HG2 LYS B 246 26.959 -13.454 8.621 1.00 0.00 H new ATOM 0 HG3 LYS B 246 28.055 -12.602 7.550 1.00 0.00 H new ATOM 0 HD2 LYS B 246 26.716 -10.768 7.759 1.00 0.00 H new ATOM 0 HD3 LYS B 246 25.504 -11.617 6.821 1.00 0.00 H new ATOM 0 HE2 LYS B 246 25.106 -12.717 9.355 1.00 0.00 H new ATOM 0 HE3 LYS B 246 25.582 -11.080 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 246 23.136 -11.467 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS B 246 23.847 -10.179 8.464 1.00 0.00 H new ATOM 0 HZ3 LYS B 246 23.541 -11.651 7.674 1.00 0.00 H new ATOM 2353 N TRP B 247 28.269 -11.262 4.846 1.00 0.00 N ATOM 2354 CA TRP B 247 29.556 -10.514 4.827 1.00 0.00 C ATOM 2355 C TRP B 247 29.549 -9.513 5.968 1.00 0.00 C ATOM 2356 O TRP B 247 28.581 -8.779 6.162 1.00 0.00 O ATOM 2357 CB TRP B 247 29.715 -9.748 3.503 1.00 0.00 C ATOM 2358 CG TRP B 247 29.874 -10.685 2.330 1.00 0.00 C ATOM 2359 CD1 TRP B 247 30.096 -12.024 2.389 1.00 0.00 C ATOM 2360 CD2 TRP B 247 29.842 -10.350 0.911 1.00 0.00 C ATOM 2361 NE1 TRP B 247 30.172 -12.523 1.103 1.00 0.00 N ATOM 2362 CE2 TRP B 247 30.028 -11.535 0.161 1.00 0.00 C ATOM 2363 CE3 TRP B 247 29.662 -9.147 0.207 1.00 0.00 C ATOM 2364 CZ2 TRP B 247 30.033 -11.532 -1.228 1.00 0.00 C ATOM 2365 CZ3 TRP B 247 29.674 -9.137 -1.197 1.00 0.00 C ATOM 2366 CH2 TRP B 247 29.859 -10.329 -1.914 1.00 0.00 C ATOM 0 H TRP B 247 27.437 -10.698 4.670 1.00 0.00 H new ATOM 0 HA TRP B 247 30.380 -11.219 4.931 1.00 0.00 H new ATOM 0 HB2 TRP B 247 28.845 -9.111 3.344 1.00 0.00 H new ATOM 0 HB3 TRP B 247 30.583 -9.092 3.565 1.00 0.00 H new ATOM 0 HD1 TRP B 247 30.197 -12.604 3.294 1.00 0.00 H new ATOM 0 HE1 TRP B 247 30.318 -13.508 0.880 1.00 0.00 H new ATOM 0 HE3 TRP B 247 29.514 -8.225 0.749 1.00 0.00 H new ATOM 0 HZ2 TRP B 247 30.171 -12.454 -1.773 1.00 0.00 H new ATOM 0 HZ3 TRP B 247 29.540 -8.206 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP B 247 29.867 -10.316 -2.994 1.00 0.00 H new ATOM 2377 N GLY B 248 30.615 -9.491 6.705 1.00 0.00 N ATOM 2378 CA GLY B 248 30.717 -8.550 7.850 1.00 0.00 C ATOM 2379 C GLY B 248 32.189 -8.216 8.068 1.00 0.00 C ATOM 2380 O GLY B 248 33.068 -8.853 7.486 1.00 0.00 O ATOM 0 H GLY B 248 31.429 -10.089 6.564 1.00 0.00 H new ATOM 0 HA2 GLY B 248 30.148 -7.643 7.647 1.00 0.00 H new ATOM 0 HA3 GLY B 248 30.293 -8.998 8.748 1.00 0.00 H new ATOM 2384 N LEU B 249 32.453 -7.242 8.889 1.00 0.00 N ATOM 2385 CA LEU B 249 33.876 -6.862 9.143 1.00 0.00 C ATOM 2386 C LEU B 249 33.969 -5.944 10.375 1.00 0.00 C ATOM 2387 O LEU B 249 34.889 -5.127 10.458 1.00 0.00 O ATOM 2388 CB LEU B 249 34.461 -6.144 7.916 1.00 0.00 C ATOM 2389 CG LEU B 249 33.476 -5.107 7.365 1.00 0.00 C ATOM 2390 CD1 LEU B 249 34.173 -3.751 7.270 1.00 0.00 C ATOM 2391 CD2 LEU B 249 33.022 -5.537 5.965 1.00 0.00 C ATOM 0 H LEU B 249 31.756 -6.694 9.393 1.00 0.00 H new ATOM 0 HA LEU B 249 34.449 -7.770 9.331 1.00 0.00 H new ATOM 0 HB2 LEU B 249 35.396 -5.654 8.188 1.00 0.00 H new ATOM 0 HB3 LEU B 249 34.697 -6.874 7.142 1.00 0.00 H new ATOM 0 HG LEU B 249 32.613 -5.032 8.027 1.00 0.00 H new ATOM 0 HD11 LEU B 249 33.476 -3.010 6.878 1.00 0.00 H new ATOM 0 HD12 LEU B 249 34.510 -3.445 8.260 1.00 0.00 H new ATOM 0 HD13 LEU B 249 35.032 -3.829 6.603 1.00 0.00 H new ATOM 0 HD21 LEU B 249 32.321 -4.803 5.568 1.00 0.00 H new ATOM 0 HD22 LEU B 249 33.888 -5.605 5.306 1.00 0.00 H new ATOM 0 HD23 LEU B 249 32.534 -6.510 6.024 1.00 0.00 H new ATOM 2403 N GLY B 250 33.028 -6.059 11.302 1.00 0.00 N ATOM 2404 CA GLY B 250 33.053 -5.174 12.516 1.00 0.00 C ATOM 2405 C GLY B 250 33.265 -5.979 13.800 1.00 0.00 C ATOM 2406 O GLY B 250 33.948 -7.005 13.808 1.00 0.00 O ATOM 0 H GLY B 250 32.254 -6.722 11.265 1.00 0.00 H new ATOM 0 HA2 GLY B 250 33.850 -4.437 12.413 1.00 0.00 H new ATOM 0 HA3 GLY B 250 32.115 -4.622 12.583 1.00 0.00 H new ATOM 2410 N LEU B 251 32.692 -5.486 14.872 1.00 0.00 N ATOM 2411 CA LEU B 251 32.837 -6.161 16.199 1.00 0.00 C ATOM 2412 C LEU B 251 31.512 -6.835 16.556 1.00 0.00 C ATOM 2413 O LEU B 251 30.469 -6.181 16.591 1.00 0.00 O ATOM 2414 CB LEU B 251 33.187 -5.139 17.300 1.00 0.00 C ATOM 2415 CG LEU B 251 33.383 -3.727 16.716 1.00 0.00 C ATOM 2416 CD1 LEU B 251 32.016 -3.090 16.448 1.00 0.00 C ATOM 2417 CD2 LEU B 251 34.141 -2.863 17.728 1.00 0.00 C ATOM 0 H LEU B 251 32.126 -4.638 14.883 1.00 0.00 H new ATOM 0 HA LEU B 251 33.640 -6.895 16.133 1.00 0.00 H new ATOM 0 HB2 LEU B 251 32.392 -5.119 18.045 1.00 0.00 H new ATOM 0 HB3 LEU B 251 34.097 -5.452 17.813 1.00 0.00 H new ATOM 0 HG LEU B 251 33.947 -3.795 15.786 1.00 0.00 H new ATOM 0 HD11 LEU B 251 32.155 -2.091 16.035 1.00 0.00 H new ATOM 0 HD12 LEU B 251 31.462 -3.703 15.737 1.00 0.00 H new ATOM 0 HD13 LEU B 251 31.457 -3.022 17.381 1.00 0.00 H new ATOM 0 HD21 LEU B 251 34.282 -1.863 17.319 1.00 0.00 H new ATOM 0 HD22 LEU B 251 33.568 -2.799 18.653 1.00 0.00 H new ATOM 0 HD23 LEU B 251 35.113 -3.311 17.933 1.00 0.00 H new ATOM 2429 N ASP B 252 31.550 -8.117 16.814 1.00 0.00 N ATOM 2430 CA ASP B 252 30.292 -8.847 17.163 1.00 0.00 C ATOM 2431 C ASP B 252 30.090 -8.846 18.673 1.00 0.00 C ATOM 2432 O ASP B 252 30.820 -9.510 19.409 1.00 0.00 O ATOM 2433 CB ASP B 252 30.352 -10.285 16.645 1.00 0.00 C ATOM 2434 CG ASP B 252 28.992 -10.951 16.810 1.00 0.00 C ATOM 2435 OD1 ASP B 252 28.538 -11.057 17.938 1.00 0.00 O ATOM 2436 OD2 ASP B 252 28.417 -11.343 15.807 1.00 0.00 O1- ATOM 0 H ASP B 252 32.394 -8.689 16.799 1.00 0.00 H new ATOM 0 HA ASP B 252 29.451 -8.339 16.691 1.00 0.00 H new ATOM 0 HB2 ASP B 252 30.645 -10.291 15.595 1.00 0.00 H new ATOM 0 HB3 ASP B 252 31.110 -10.846 17.191 1.00 0.00 H new ATOM 2441 N ASP B 253 29.106 -8.105 19.109 1.00 0.00 N ATOM 2442 CA ASP B 253 28.811 -8.027 20.569 1.00 0.00 C ATOM 2443 C ASP B 253 27.852 -6.872 20.825 1.00 0.00 C ATOM 2444 O ASP B 253 27.446 -6.177 19.896 1.00 0.00 O ATOM 2445 CB ASP B 253 30.103 -7.814 21.356 1.00 0.00 C ATOM 2446 CG ASP B 253 29.810 -7.042 22.637 1.00 0.00 C ATOM 2447 OD1 ASP B 253 29.186 -7.611 23.518 1.00 0.00 O1- ATOM 2448 OD2 ASP B 253 30.212 -5.895 22.717 1.00 0.00 O ATOM 0 H ASP B 253 28.492 -7.549 18.514 1.00 0.00 H new ATOM 0 HA ASP B 253 28.354 -8.961 20.896 1.00 0.00 H new ATOM 0 HB2 ASP B 253 30.555 -8.776 21.597 1.00 0.00 H new ATOM 0 HB3 ASP B 253 30.823 -7.266 20.748 1.00 0.00 H new TER 2453 ASP B 253 HETATM 2454 ZN ZN B 300 16.133 -3.345 3.136 1.00 0.00 ZN HETATM 2455 ZN ZN B 301 19.628 -13.102 -6.303 1.00 0.00 ZN