USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 37:sc= 0.39! USER MOD Set 1.2: B 21 THR OG1 : rot 24:sc= 0.338 USER MOD Set 2.1: A 77 ASN : amide:sc= -0.537 X(o=0.19,f=-0.17) USER MOD Set 2.2: A 89 GLN : amide:sc= 0.732 X(o=0.19,f=-0.17) USER MOD Set 3.1: A 70 HIS : no HE2:sc= -1.62 K(o=-1.7,f=-5!) USER MOD Set 3.2: A 74 CYS SG : rot 163:sc= 0.0555 USER MOD Set 3.3: A 84 CYS SG : rot 180:sc= -0.14 USER MOD Set 4.1: A 62 GLN : amide:sc= -2.31! C(o=-2.3!,f=-8.3!) USER MOD Set 4.2: B 12 SER OG : rot 180:sc= 0.0269 USER MOD Set 5.1: A 45 HIS : no HD1:sc= -0.663 K(o=-1.3,f=-0.48) USER MOD Set 5.2: A 49 CYS SG : rot 95:sc= -0.666 USER MOD Set 6.1: A 22 HIS : no HD1:sc= -0.0365 X(o=-2.8,f=-2.8) USER MOD Set 6.2: A 26 CYS SG : rot 170:sc= 0.501 USER MOD Set 6.3: A 36 CYS SG : rot -176:sc= -3.25! USER MOD Set 7.1: A 14 GLN : amide:sc= -1.12 K(o=-1.4,f=-0.13) USER MOD Set 7.2: A 18 GLN : amide:sc= -0.283 K(o=-1.4,f=-2.3) USER MOD Set 8.1: A 1 ALA N :NH3+ 180:sc= 1.3 (180deg=0) USER MOD Set 8.2: A 4 SER OG : rot -139:sc= 0.999 USER MOD Single : A 2 THR OG1 : rot 180:sc=0.000434 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 77:sc= 0.842 USER MOD Single : A 19 SER OG : rot 171:sc= 0.7 USER MOD Single : A 25 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 CYS SG : rot 180:sc= -0.243 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.59! C(o=-1.6!,f=-6.7!) USER MOD Single : A 38 LYS NZ :NH3+ -172:sc= -0.504! (180deg=-1.13!) USER MOD Single : A 39 MET CE :methyl 177:sc= -4.62! (180deg=-4.76!) USER MOD Single : A 40 LYS NZ :NH3+ 132:sc= 0.242 (180deg=-2.12!) USER MOD Single : A 44 GLN : amide:sc= -0.846 K(o=-0.85,f=-0.088) USER MOD Single : A 46 THR OG1 : rot 100:sc= -4.32! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.435 (180deg=-0.76) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0189 USER MOD Single : A 54 ASN : amide:sc= -0.0165 K(o=-0.017,f=-1.5!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 47:sc= -16.2! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 30:sc= -2.43! USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.012) USER MOD Single : A 73 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.488 X(o=-0.49,f=-0.069) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.383 K(o=-0.38,f=-1.4!) USER MOD Single : A 88 LYS NZ :NH3+ -169:sc= -1.92! (180deg=-2.14!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.359 K(o=-0.36,f=-1.6) USER MOD Single : B 6 MET CE :methyl -143:sc= -0.0737 (180deg=-0.469) USER MOD Single : B 10 MET CE :methyl -166:sc= -2.12 (180deg=-2.51) USER MOD Single : B 18 GLN : amide:sc= 0.65 K(o=0.65,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.203 -14.211 1.016 1.00 0.00 N ATOM 2 CA ALA A 1 20.218 -13.188 -0.026 1.00 0.00 C ATOM 3 C ALA A 1 19.256 -12.071 0.361 1.00 0.00 C ATOM 4 O ALA A 1 18.695 -12.100 1.450 1.00 0.00 O ATOM 5 CB ALA A 1 19.830 -13.805 -1.360 1.00 0.00 C ATOM 0 H1 ALA A 1 20.857 -14.978 0.759 1.00 0.00 H new ATOM 0 H2 ALA A 1 20.500 -13.790 1.920 1.00 0.00 H new ATOM 0 H3 ALA A 1 19.241 -14.595 1.112 1.00 0.00 H new ATOM 0 HA ALA A 1 21.220 -12.771 -0.126 1.00 0.00 H new ATOM 0 HB1 ALA A 1 19.843 -13.037 -2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 1 20.540 -14.591 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.829 -14.230 -1.287 1.00 0.00 H new ATOM 13 N THR A 2 19.014 -11.119 -0.537 1.00 0.00 N ATOM 14 CA THR A 2 18.148 -9.969 -0.251 1.00 0.00 C ATOM 15 C THR A 2 16.665 -10.357 -0.435 1.00 0.00 C ATOM 16 O THR A 2 15.773 -9.508 -0.508 1.00 0.00 O ATOM 17 CB THR A 2 18.444 -8.850 -1.244 1.00 0.00 C ATOM 18 OG1 THR A 2 19.872 -8.817 -1.513 1.00 0.00 O ATOM 19 CG2 THR A 2 18.041 -7.494 -0.668 1.00 0.00 C ATOM 0 H THR A 2 19.408 -11.119 -1.478 1.00 0.00 H new ATOM 0 HA THR A 2 18.335 -9.649 0.774 1.00 0.00 H new ATOM 0 HB THR A 2 17.877 -9.041 -2.155 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.068 -8.100 -2.152 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.261 -6.711 -1.393 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.973 -7.495 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 2 18.600 -7.307 0.249 1.00 0.00 H new ATOM 27 N GLN A 3 16.412 -11.630 -0.468 1.00 0.00 N ATOM 28 CA GLN A 3 15.157 -12.154 -0.716 1.00 0.00 C ATOM 29 C GLN A 3 15.089 -13.364 0.162 1.00 0.00 C ATOM 30 O GLN A 3 14.557 -14.390 -0.189 1.00 0.00 O ATOM 31 CB GLN A 3 14.983 -12.479 -2.229 1.00 0.00 C ATOM 32 CG GLN A 3 14.647 -11.244 -3.058 1.00 0.00 C ATOM 33 CD GLN A 3 14.684 -11.471 -4.554 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.685 -11.808 -5.175 1.00 0.00 O ATOM 35 NE2 GLN A 3 15.835 -11.295 -5.144 1.00 0.00 N ATOM 0 H GLN A 3 17.126 -12.342 -0.312 1.00 0.00 H new ATOM 0 HA GLN A 3 14.344 -11.463 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 3 15.901 -12.928 -2.608 1.00 0.00 H new ATOM 0 HB3 GLN A 3 14.192 -13.219 -2.349 1.00 0.00 H new ATOM 0 HG2 GLN A 3 13.653 -10.893 -2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.348 -10.449 -2.805 1.00 0.00 H new ATOM 0 HE21 GLN A 3 16.650 -11.014 -4.599 1.00 0.00 H new ATOM 0 HE22 GLN A 3 15.920 -11.439 -6.150 1.00 0.00 H new ATOM 44 N SER A 4 15.613 -13.213 1.369 1.00 0.00 N ATOM 45 CA SER A 4 15.713 -14.371 2.251 1.00 0.00 C ATOM 46 C SER A 4 14.960 -14.249 3.571 1.00 0.00 C ATOM 47 O SER A 4 14.139 -15.089 3.910 1.00 0.00 O ATOM 48 CB SER A 4 17.094 -14.876 2.365 1.00 0.00 C ATOM 49 OG SER A 4 17.639 -15.249 1.100 1.00 0.00 O ATOM 0 H SER A 4 15.964 -12.336 1.752 1.00 0.00 H new ATOM 0 HA SER A 4 15.157 -15.161 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.723 -14.109 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.110 -15.737 3.033 1.00 0.00 H new ATOM 0 HG SER A 4 18.150 -16.080 1.196 1.00 0.00 H new ATOM 55 N PRO A 5 15.126 -13.281 4.479 1.00 0.00 N ATOM 56 CA PRO A 5 14.065 -13.038 5.468 1.00 0.00 C ATOM 57 C PRO A 5 13.052 -12.297 4.656 1.00 0.00 C ATOM 58 O PRO A 5 11.842 -12.343 4.854 1.00 0.00 O ATOM 59 CB PRO A 5 14.728 -12.138 6.526 1.00 0.00 C ATOM 60 CG PRO A 5 16.221 -12.475 6.418 1.00 0.00 C ATOM 61 CD PRO A 5 16.425 -12.756 4.926 1.00 0.00 C ATOM 0 HA PRO A 5 13.618 -13.899 5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.542 -11.083 6.326 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.343 -12.346 7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 5 16.844 -11.647 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.481 -13.341 7.027 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.697 -11.851 4.383 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.225 -13.478 4.762 1.00 0.00 H new ATOM 69 N GLY A 6 13.676 -11.646 3.677 1.00 0.00 N ATOM 70 CA GLY A 6 13.179 -10.805 2.671 1.00 0.00 C ATOM 71 C GLY A 6 12.416 -11.269 1.485 1.00 0.00 C ATOM 72 O GLY A 6 11.734 -10.386 1.024 1.00 0.00 O ATOM 0 H GLY A 6 14.689 -11.733 3.590 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.542 -10.078 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.039 -10.260 2.282 1.00 0.00 H new ATOM 76 N ASP A 7 12.286 -12.515 0.909 1.00 0.00 N ATOM 77 CA ASP A 7 11.528 -12.499 -0.294 1.00 0.00 C ATOM 78 C ASP A 7 10.145 -12.446 0.269 1.00 0.00 C ATOM 79 O ASP A 7 9.386 -11.601 -0.027 1.00 0.00 O ATOM 80 CB ASP A 7 11.698 -13.806 -0.981 1.00 0.00 C ATOM 81 CG ASP A 7 10.945 -14.029 -2.263 1.00 0.00 C ATOM 82 OD1 ASP A 7 9.773 -14.485 -2.201 1.00 0.00 O ATOM 83 OD2 ASP A 7 11.516 -13.859 -3.347 1.00 0.00 O ATOM 0 H ASP A 7 12.658 -13.406 1.238 1.00 0.00 H new ATOM 0 HA ASP A 7 11.785 -11.708 -0.998 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.760 -13.939 -1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.409 -14.591 -0.282 1.00 0.00 H new ATOM 88 N SER A 8 9.933 -13.221 1.256 1.00 0.00 N ATOM 89 CA SER A 8 8.695 -13.197 1.790 1.00 0.00 C ATOM 90 C SER A 8 8.381 -11.839 2.580 1.00 0.00 C ATOM 91 O SER A 8 7.279 -11.378 2.520 1.00 0.00 O ATOM 92 CB SER A 8 8.355 -14.447 2.515 1.00 0.00 C ATOM 93 OG SER A 8 8.595 -15.576 1.679 1.00 0.00 O ATOM 0 H SER A 8 10.606 -13.858 1.683 1.00 0.00 H new ATOM 0 HA SER A 8 7.993 -13.180 0.956 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.952 -14.524 3.424 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.309 -14.427 2.821 1.00 0.00 H new ATOM 0 HG SER A 8 8.370 -16.397 2.165 1.00 0.00 H new ATOM 99 N ARG A 9 9.393 -11.190 3.280 1.00 0.00 N ATOM 100 CA ARG A 9 9.187 -9.891 3.856 1.00 0.00 C ATOM 101 C ARG A 9 8.867 -8.883 2.717 1.00 0.00 C ATOM 102 O ARG A 9 7.793 -8.247 2.708 1.00 0.00 O ATOM 103 CB ARG A 9 10.474 -9.431 4.543 1.00 0.00 C ATOM 104 CG ARG A 9 10.278 -8.456 5.610 1.00 0.00 C ATOM 105 CD ARG A 9 9.512 -9.080 6.776 1.00 0.00 C ATOM 106 NE ARG A 9 9.311 -8.160 7.890 1.00 0.00 N ATOM 107 CZ ARG A 9 8.209 -8.128 8.651 1.00 0.00 C ATOM 108 NH1 ARG A 9 7.188 -8.949 8.388 1.00 0.00 N ATOM 109 NH2 ARG A 9 8.128 -7.282 9.669 1.00 0.00 N ATOM 0 H ARG A 9 10.325 -11.578 3.430 1.00 0.00 H new ATOM 0 HA ARG A 9 8.369 -9.938 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.982 -10.303 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.137 -9.000 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.244 -8.090 5.957 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.730 -7.595 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.542 -9.427 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 9 10.054 -9.957 7.131 1.00 0.00 H new ATOM 0 HE ARG A 9 10.058 -7.498 8.103 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.247 -9.602 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.350 -8.923 8.969 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.906 -6.654 9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.288 -7.259 10.247 1.00 0.00 H new ATOM 123 N ARG A 10 9.789 -8.799 1.721 1.00 0.00 N ATOM 124 CA ARG A 10 9.654 -7.831 0.623 1.00 0.00 C ATOM 125 C ARG A 10 8.420 -8.077 -0.155 1.00 0.00 C ATOM 126 O ARG A 10 7.655 -7.193 -0.323 1.00 0.00 O ATOM 127 CB ARG A 10 10.815 -7.809 -0.408 1.00 0.00 C ATOM 128 CG ARG A 10 12.123 -7.079 -0.086 1.00 0.00 C ATOM 129 CD ARG A 10 13.048 -7.827 0.849 1.00 0.00 C ATOM 130 NE ARG A 10 14.395 -7.255 0.796 1.00 0.00 N ATOM 131 CZ ARG A 10 14.967 -6.556 1.769 1.00 0.00 C ATOM 132 NH1 ARG A 10 14.496 -6.629 2.986 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.078 -5.880 1.537 1.00 0.00 N ATOM 0 H ARG A 10 10.621 -9.387 1.664 1.00 0.00 H new ATOM 0 HA ARG A 10 9.648 -6.874 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.070 -8.846 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.422 -7.375 -1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.652 -6.881 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.885 -6.112 0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.664 -7.777 1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 10 13.082 -8.881 0.572 1.00 0.00 H new ATOM 0 HE ARG A 10 14.936 -7.405 -0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.691 -7.222 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.934 -6.093 3.735 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.499 -5.894 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.515 -5.344 2.287 1.00 0.00 H new ATOM 147 N LEU A 11 8.224 -9.296 -0.598 1.00 0.00 N ATOM 148 CA LEU A 11 7.122 -9.630 -1.454 1.00 0.00 C ATOM 149 C LEU A 11 5.838 -9.456 -0.808 1.00 0.00 C ATOM 150 O LEU A 11 4.868 -9.138 -1.449 1.00 0.00 O ATOM 151 CB LEU A 11 7.245 -10.972 -2.101 1.00 0.00 C ATOM 152 CG LEU A 11 8.332 -11.027 -3.201 1.00 0.00 C ATOM 153 CD1 LEU A 11 9.727 -11.128 -2.734 1.00 0.00 C ATOM 154 CD2 LEU A 11 7.971 -11.888 -4.368 1.00 0.00 C ATOM 0 H LEU A 11 8.830 -10.084 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 11 7.171 -8.905 -2.266 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.473 -11.716 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.284 -11.247 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 11 8.329 -10.017 -3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.397 -11.159 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.968 -10.262 -2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.849 -12.038 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.783 -11.875 -5.095 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.805 -12.910 -4.028 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.061 -11.508 -4.833 1.00 0.00 H new ATOM 166 N SER A 12 5.836 -9.603 0.460 1.00 0.00 N ATOM 167 CA SER A 12 4.641 -9.365 1.218 1.00 0.00 C ATOM 168 C SER A 12 4.251 -7.859 1.093 1.00 0.00 C ATOM 169 O SER A 12 3.118 -7.514 0.743 1.00 0.00 O ATOM 170 CB SER A 12 4.840 -9.790 2.688 1.00 0.00 C ATOM 171 OG SER A 12 3.691 -9.617 3.490 1.00 0.00 O ATOM 0 H SER A 12 6.646 -9.888 1.011 1.00 0.00 H new ATOM 0 HA SER A 12 3.823 -9.967 0.822 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.138 -10.838 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.661 -9.214 3.115 1.00 0.00 H new ATOM 0 HG SER A 12 3.049 -10.333 3.301 1.00 0.00 H new ATOM 177 N ILE A 13 5.227 -6.982 1.257 1.00 0.00 N ATOM 178 CA ILE A 13 4.943 -5.522 1.170 1.00 0.00 C ATOM 179 C ILE A 13 4.984 -5.009 -0.213 1.00 0.00 C ATOM 180 O ILE A 13 4.450 -3.961 -0.495 1.00 0.00 O ATOM 181 CB ILE A 13 5.768 -4.581 2.013 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.968 -5.236 2.446 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.974 -3.915 3.139 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.888 -4.395 3.188 1.00 0.00 C ATOM 0 H ILE A 13 6.200 -7.224 1.446 1.00 0.00 H new ATOM 0 HA ILE A 13 3.938 -5.511 1.591 1.00 0.00 H new ATOM 0 HB ILE A 13 6.067 -3.739 1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.695 -6.089 3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.485 -5.632 1.572 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.630 -3.252 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.154 -3.337 2.713 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.572 -4.680 3.803 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.764 -4.977 3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.197 -3.555 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.395 -4.019 4.085 1.00 0.00 H new ATOM 196 N GLN A 14 5.680 -5.687 -1.049 1.00 0.00 N ATOM 197 CA GLN A 14 5.711 -5.408 -2.431 1.00 0.00 C ATOM 198 C GLN A 14 4.305 -5.527 -2.934 1.00 0.00 C ATOM 199 O GLN A 14 3.843 -4.677 -3.589 1.00 0.00 O ATOM 200 CB GLN A 14 6.583 -6.425 -3.135 1.00 0.00 C ATOM 201 CG GLN A 14 6.847 -6.128 -4.543 1.00 0.00 C ATOM 202 CD GLN A 14 7.604 -7.244 -5.245 1.00 0.00 C ATOM 203 OE1 GLN A 14 7.007 -8.140 -5.813 1.00 0.00 O ATOM 204 NE2 GLN A 14 8.908 -7.231 -5.173 1.00 0.00 N ATOM 0 H GLN A 14 6.263 -6.479 -0.777 1.00 0.00 H new ATOM 0 HA GLN A 14 6.114 -4.413 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.534 -6.496 -2.607 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.106 -7.403 -3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.902 -5.956 -5.057 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.421 -5.204 -4.614 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.385 -6.469 -4.691 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.450 -7.983 -5.599 1.00 0.00 H new ATOM 213 N ARG A 15 3.644 -6.596 -2.552 1.00 0.00 N ATOM 214 CA ARG A 15 2.239 -6.842 -2.885 1.00 0.00 C ATOM 215 C ARG A 15 1.335 -5.906 -2.224 1.00 0.00 C ATOM 216 O ARG A 15 0.288 -5.582 -2.737 1.00 0.00 O ATOM 217 CB ARG A 15 1.842 -8.161 -2.438 1.00 0.00 C ATOM 218 CG ARG A 15 2.545 -9.222 -3.195 1.00 0.00 C ATOM 219 CD ARG A 15 1.788 -10.505 -3.062 1.00 0.00 C ATOM 220 NE ARG A 15 2.399 -11.619 -3.782 1.00 0.00 N ATOM 221 CZ ARG A 15 1.715 -12.542 -4.469 1.00 0.00 C ATOM 222 NH1 ARG A 15 0.416 -12.384 -4.694 1.00 0.00 N ATOM 223 NH2 ARG A 15 2.347 -13.597 -4.962 1.00 0.00 N ATOM 0 H ARG A 15 4.065 -7.337 -1.992 1.00 0.00 H new ATOM 0 HA ARG A 15 2.167 -6.731 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.058 -8.267 -1.375 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.765 -8.279 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 15 2.628 -8.942 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.560 -9.344 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.710 -10.764 -2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.772 -10.358 -3.430 1.00 0.00 H new ATOM 0 HE ARG A 15 3.416 -11.699 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.065 -11.556 -4.343 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.100 -13.090 -5.218 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.351 -13.704 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.829 -14.303 -5.486 1.00 0.00 H new ATOM 237 N ALA A 16 1.737 -5.515 -1.092 1.00 0.00 N ATOM 238 CA ALA A 16 1.046 -4.622 -0.270 1.00 0.00 C ATOM 239 C ALA A 16 1.012 -3.328 -0.989 1.00 0.00 C ATOM 240 O ALA A 16 -0.024 -2.784 -1.222 1.00 0.00 O ATOM 241 CB ALA A 16 1.776 -4.588 1.058 1.00 0.00 C ATOM 0 H ALA A 16 2.618 -5.831 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 16 0.014 -4.900 -0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.269 -3.900 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.784 -5.587 1.495 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.801 -4.253 0.901 1.00 0.00 H new ATOM 247 N ILE A 17 2.164 -2.913 -1.421 1.00 0.00 N ATOM 248 CA ILE A 17 2.307 -1.779 -2.273 1.00 0.00 C ATOM 249 C ILE A 17 1.694 -1.979 -3.636 1.00 0.00 C ATOM 250 O ILE A 17 1.019 -1.172 -4.054 1.00 0.00 O ATOM 251 CB ILE A 17 3.727 -1.438 -2.492 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.356 -0.916 -1.300 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.855 -0.470 -3.569 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.761 -0.752 -1.473 1.00 0.00 C ATOM 0 H ILE A 17 3.047 -3.365 -1.184 1.00 0.00 H new ATOM 0 HA ILE A 17 1.784 -0.978 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 17 4.236 -2.363 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.907 0.043 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.169 -1.591 -0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.907 -0.229 -3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.445 -0.891 -4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.308 0.437 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.197 -0.358 -0.555 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.214 -1.716 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.948 -0.057 -2.291 1.00 0.00 H new ATOM 266 N GLN A 18 2.024 -3.043 -4.342 1.00 0.00 N ATOM 267 CA GLN A 18 1.512 -3.282 -5.696 1.00 0.00 C ATOM 268 C GLN A 18 0.045 -3.276 -5.664 1.00 0.00 C ATOM 269 O GLN A 18 -0.560 -2.728 -6.552 1.00 0.00 O ATOM 270 CB GLN A 18 1.967 -4.633 -6.246 1.00 0.00 C ATOM 271 CG GLN A 18 3.432 -4.767 -6.588 1.00 0.00 C ATOM 272 CD GLN A 18 3.760 -6.186 -6.996 1.00 0.00 C ATOM 273 OE1 GLN A 18 4.055 -7.019 -6.152 1.00 0.00 O ATOM 274 NE2 GLN A 18 3.743 -6.471 -8.274 1.00 0.00 N ATOM 0 H GLN A 18 2.653 -3.771 -4.002 1.00 0.00 H new ATOM 0 HA GLN A 18 1.901 -2.493 -6.340 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.717 -5.400 -5.513 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.387 -4.848 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.685 -4.083 -7.398 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.038 -4.481 -5.728 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.492 -5.753 -8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.980 -7.411 -8.590 1.00 0.00 H new ATOM 283 N SER A 19 -0.542 -3.851 -4.633 1.00 0.00 N ATOM 284 CA SER A 19 -1.948 -3.787 -4.557 1.00 0.00 C ATOM 285 C SER A 19 -2.369 -2.446 -4.243 1.00 0.00 C ATOM 286 O SER A 19 -3.275 -1.966 -4.839 1.00 0.00 O ATOM 287 CB SER A 19 -2.544 -4.766 -3.638 1.00 0.00 C ATOM 288 OG SER A 19 -2.218 -6.083 -4.048 1.00 0.00 O ATOM 0 H SER A 19 -0.071 -4.344 -3.875 1.00 0.00 H new ATOM 0 HA SER A 19 -2.322 -4.061 -5.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.181 -4.592 -2.625 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.627 -4.642 -3.615 1.00 0.00 H new ATOM 0 HG SER A 19 -2.499 -6.720 -3.358 1.00 0.00 H new ATOM 294 N LEU A 20 -1.673 -1.830 -3.362 1.00 0.00 N ATOM 295 CA LEU A 20 -1.930 -0.538 -2.981 1.00 0.00 C ATOM 296 C LEU A 20 -1.823 0.466 -4.140 1.00 0.00 C ATOM 297 O LEU A 20 -2.705 1.279 -4.342 1.00 0.00 O ATOM 298 CB LEU A 20 -1.014 -0.150 -1.908 1.00 0.00 C ATOM 299 CG LEU A 20 -1.417 0.968 -1.301 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.308 0.595 -0.189 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.312 1.828 -1.026 1.00 0.00 C ATOM 0 H LEU A 20 -0.879 -2.252 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.962 -0.510 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.944 -0.957 -1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.014 -0.003 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.030 1.603 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.649 1.496 0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.168 0.051 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.767 -0.038 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.668 2.732 -0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.396 1.314 -0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.181 2.096 -1.960 1.00 0.00 H new ATOM 313 N VAL A 21 -0.740 0.388 -4.856 1.00 0.00 N ATOM 314 CA VAL A 21 -0.444 1.172 -5.977 1.00 0.00 C ATOM 315 C VAL A 21 -1.488 0.955 -7.014 1.00 0.00 C ATOM 316 O VAL A 21 -1.975 1.864 -7.589 1.00 0.00 O ATOM 317 CB VAL A 21 0.944 0.822 -6.592 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.980 1.338 -7.970 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.122 1.352 -5.761 1.00 0.00 C ATOM 0 H VAL A 21 0.001 -0.279 -4.640 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.419 2.212 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 21 1.061 -0.262 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.944 1.104 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.185 0.874 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.838 2.419 -7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.060 1.075 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.057 2.438 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.086 0.919 -4.761 1.00 0.00 H new ATOM 329 N HIS A 22 -1.799 -0.259 -7.221 1.00 0.00 N ATOM 330 CA HIS A 22 -2.803 -0.663 -8.185 1.00 0.00 C ATOM 331 C HIS A 22 -4.083 -0.178 -7.764 1.00 0.00 C ATOM 332 O HIS A 22 -4.769 0.279 -8.504 1.00 0.00 O ATOM 333 CB HIS A 22 -2.824 -2.130 -8.265 1.00 0.00 C ATOM 334 CG HIS A 22 -3.792 -2.754 -9.239 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.535 -2.894 -10.585 1.00 0.00 N ATOM 336 CD2 HIS A 22 -5.009 -3.301 -9.035 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.553 -3.501 -11.162 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.455 -3.757 -10.243 1.00 0.00 N ATOM 0 H HIS A 22 -1.367 -1.039 -6.726 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.569 -0.250 -9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.820 -2.469 -8.523 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.047 -2.519 -7.271 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.532 -3.366 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.632 -3.746 -12.211 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.348 -4.223 -10.405 1.00 0.00 H new ATOM 347 N ALA A 23 -4.347 -0.263 -6.566 1.00 0.00 N ATOM 348 CA ALA A 23 -5.571 0.191 -6.011 1.00 0.00 C ATOM 349 C ALA A 23 -5.697 1.689 -6.197 1.00 0.00 C ATOM 350 O ALA A 23 -6.742 2.211 -6.530 1.00 0.00 O ATOM 351 CB ALA A 23 -5.540 -0.228 -4.571 1.00 0.00 C ATOM 0 H ALA A 23 -3.709 -0.665 -5.880 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.447 -0.236 -6.499 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.459 0.092 -4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.454 -1.313 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.685 0.232 -4.076 1.00 0.00 H new ATOM 357 N ALA A 24 -4.617 2.314 -6.078 1.00 0.00 N ATOM 358 CA ALA A 24 -4.506 3.701 -6.235 1.00 0.00 C ATOM 359 C ALA A 24 -4.656 4.067 -7.704 1.00 0.00 C ATOM 360 O ALA A 24 -5.365 4.999 -8.085 1.00 0.00 O ATOM 361 CB ALA A 24 -3.136 4.014 -5.822 1.00 0.00 C ATOM 0 H ALA A 24 -3.732 1.857 -5.857 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.264 4.237 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.964 5.086 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.990 3.711 -4.785 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.432 3.477 -6.459 1.00 0.00 H new ATOM 367 N GLN A 25 -3.953 3.304 -8.504 1.00 0.00 N ATOM 368 CA GLN A 25 -3.788 3.530 -9.889 1.00 0.00 C ATOM 369 C GLN A 25 -4.924 2.971 -10.723 1.00 0.00 C ATOM 370 O GLN A 25 -5.242 3.498 -11.799 1.00 0.00 O ATOM 371 CB GLN A 25 -2.496 2.872 -10.323 1.00 0.00 C ATOM 372 CG GLN A 25 -2.103 3.194 -11.703 1.00 0.00 C ATOM 373 CD GLN A 25 -1.184 2.160 -12.376 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.269 1.983 -13.589 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.264 1.524 -11.661 1.00 0.00 N ATOM 0 H GLN A 25 -3.463 2.472 -8.175 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.774 4.608 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.698 3.178 -9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.599 1.791 -10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.005 3.303 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.600 4.161 -11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.203 1.679 -10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.382 0.880 -12.118 1.00 0.00 H new ATOM 384 N CYS A 26 -5.543 1.966 -10.221 1.00 0.00 N ATOM 385 CA CYS A 26 -6.622 1.338 -10.857 1.00 0.00 C ATOM 386 C CYS A 26 -7.764 2.194 -10.483 1.00 0.00 C ATOM 387 O CYS A 26 -7.990 2.379 -9.311 1.00 0.00 O ATOM 388 CB CYS A 26 -6.820 -0.114 -10.289 1.00 0.00 C ATOM 389 SG CYS A 26 -8.093 -1.115 -11.105 1.00 0.00 S ATOM 0 H CYS A 26 -5.297 1.550 -9.323 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.491 1.233 -11.934 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.870 -0.643 -10.358 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.067 -0.039 -9.230 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.010 -2.345 -10.691 1.00 0.00 H new ATOM 395 N ARG A 27 -8.499 2.727 -11.396 1.00 0.00 N ATOM 396 CA ARG A 27 -9.488 3.637 -10.946 1.00 0.00 C ATOM 397 C ARG A 27 -10.772 3.333 -11.543 1.00 0.00 C ATOM 398 O ARG A 27 -11.196 3.806 -12.588 1.00 0.00 O ATOM 399 CB ARG A 27 -9.045 5.146 -11.001 1.00 0.00 C ATOM 400 CG ARG A 27 -8.271 5.611 -12.253 1.00 0.00 C ATOM 401 CD ARG A 27 -9.114 5.615 -13.506 1.00 0.00 C ATOM 402 NE ARG A 27 -8.358 5.989 -14.699 1.00 0.00 N ATOM 403 CZ ARG A 27 -8.508 5.401 -15.895 1.00 0.00 C ATOM 404 NH1 ARG A 27 -9.266 4.306 -16.013 1.00 0.00 N ATOM 405 NH2 ARG A 27 -7.876 5.884 -16.961 1.00 0.00 N ATOM 0 H ARG A 27 -8.442 2.562 -12.401 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.618 3.487 -9.874 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.938 5.763 -10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.426 5.348 -10.127 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.883 6.615 -12.080 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -7.411 4.959 -12.404 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.545 4.624 -13.651 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.945 6.308 -13.376 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.675 6.742 -14.617 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.731 3.917 -15.193 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.379 3.860 -16.923 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.276 6.703 -16.870 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.992 5.435 -17.869 1.00 0.00 H new ATOM 419 N ASN A 28 -11.314 2.435 -10.890 1.00 0.00 N ATOM 420 CA ASN A 28 -12.583 1.953 -11.051 1.00 0.00 C ATOM 421 C ASN A 28 -12.972 1.594 -9.639 1.00 0.00 C ATOM 422 O ASN A 28 -12.320 0.706 -9.073 1.00 0.00 O ATOM 423 CB ASN A 28 -12.393 0.745 -11.876 1.00 0.00 C ATOM 424 CG ASN A 28 -13.602 0.148 -12.444 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.708 0.309 -11.931 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.402 -0.630 -13.458 1.00 0.00 N ATOM 0 H ASN A 28 -10.820 1.959 -10.135 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.325 2.607 -11.510 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.718 0.993 -12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.893 -0.009 -11.268 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.182 -1.144 -13.868 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.465 -0.729 -13.847 1.00 0.00 H new ATOM 433 N ALA A 29 -13.907 2.248 -9.017 1.00 0.00 N ATOM 434 CA ALA A 29 -14.188 1.915 -7.624 1.00 0.00 C ATOM 435 C ALA A 29 -14.895 0.575 -7.514 1.00 0.00 C ATOM 436 O ALA A 29 -14.901 -0.043 -6.465 1.00 0.00 O ATOM 437 CB ALA A 29 -14.952 3.015 -6.921 1.00 0.00 C ATOM 0 H ALA A 29 -14.478 2.991 -9.420 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.231 1.825 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.139 2.725 -5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.366 3.934 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -15.902 3.180 -7.429 1.00 0.00 H new ATOM 443 N ASN A 30 -15.449 0.133 -8.625 1.00 0.00 N ATOM 444 CA ASN A 30 -16.129 -1.124 -8.747 1.00 0.00 C ATOM 445 C ASN A 30 -15.454 -1.944 -9.804 1.00 0.00 C ATOM 446 O ASN A 30 -16.117 -2.594 -10.638 1.00 0.00 O ATOM 447 CB ASN A 30 -17.585 -0.903 -9.123 1.00 0.00 C ATOM 448 CG ASN A 30 -18.425 -0.234 -8.031 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.963 -0.920 -7.140 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.586 1.086 -8.081 1.00 0.00 N ATOM 0 H ASN A 30 -15.433 0.665 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.092 -1.647 -7.791 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.626 -0.290 -10.023 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.034 -1.865 -9.372 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.159 1.557 -7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.136 1.627 -8.819 1.00 0.00 H new ATOM 457 N CYS A 31 -14.120 -1.883 -9.818 1.00 0.00 N ATOM 458 CA CYS A 31 -13.354 -2.882 -10.542 1.00 0.00 C ATOM 459 C CYS A 31 -13.726 -4.074 -9.853 1.00 0.00 C ATOM 460 O CYS A 31 -13.718 -4.018 -8.593 1.00 0.00 O ATOM 461 CB CYS A 31 -11.837 -2.755 -10.262 1.00 0.00 C ATOM 462 SG CYS A 31 -10.841 -4.082 -10.959 1.00 0.00 S ATOM 0 H CYS A 31 -13.565 -1.168 -9.347 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.531 -2.821 -11.616 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.484 -1.804 -10.661 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.680 -2.726 -9.184 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.589 -3.882 -10.671 1.00 0.00 H new ATOM 468 N SER A 32 -14.023 -5.183 -10.481 1.00 0.00 N ATOM 469 CA SER A 32 -14.240 -6.086 -9.548 1.00 0.00 C ATOM 470 C SER A 32 -13.043 -6.942 -9.606 1.00 0.00 C ATOM 471 O SER A 32 -12.958 -7.944 -10.308 1.00 0.00 O ATOM 472 CB SER A 32 -15.495 -6.898 -9.931 1.00 0.00 C ATOM 473 OG SER A 32 -15.948 -7.713 -8.860 1.00 0.00 O ATOM 0 H SER A 32 -14.098 -5.406 -11.473 1.00 0.00 H new ATOM 0 HA SER A 32 -14.404 -5.666 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 32 -16.291 -6.216 -10.229 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.272 -7.525 -10.794 1.00 0.00 H new ATOM 0 HG SER A 32 -16.745 -8.210 -9.141 1.00 0.00 H new ATOM 479 N LEU A 33 -12.066 -6.437 -8.953 1.00 0.00 N ATOM 480 CA LEU A 33 -11.178 -6.968 -8.212 1.00 0.00 C ATOM 481 C LEU A 33 -11.480 -6.353 -6.856 1.00 0.00 C ATOM 482 O LEU A 33 -11.028 -5.271 -6.610 1.00 0.00 O ATOM 483 CB LEU A 33 -9.827 -6.694 -8.790 1.00 0.00 C ATOM 484 CG LEU A 33 -8.698 -7.161 -8.000 1.00 0.00 C ATOM 485 CD1 LEU A 33 -9.012 -8.378 -7.254 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.551 -7.375 -8.834 1.00 0.00 C ATOM 0 H LEU A 33 -11.919 -5.428 -8.994 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.186 -8.055 -8.129 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.773 -7.156 -9.776 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.725 -5.619 -8.936 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.472 -6.380 -7.274 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.139 -8.688 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.843 -8.185 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.289 -9.170 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.718 -7.724 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.786 -8.124 -9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.277 -6.440 -9.322 1.00 0.00 H new ATOM 498 N PRO A 34 -12.373 -6.873 -6.087 1.00 0.00 N ATOM 499 CA PRO A 34 -12.627 -6.404 -4.712 1.00 0.00 C ATOM 500 C PRO A 34 -11.427 -6.456 -3.846 1.00 0.00 C ATOM 501 O PRO A 34 -11.382 -5.827 -2.825 1.00 0.00 O ATOM 502 CB PRO A 34 -13.731 -7.293 -4.256 1.00 0.00 C ATOM 503 CG PRO A 34 -14.461 -7.463 -5.530 1.00 0.00 C ATOM 504 CD PRO A 34 -13.373 -7.770 -6.514 1.00 0.00 C ATOM 0 HA PRO A 34 -12.895 -5.348 -4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.367 -8.239 -3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.345 -6.833 -3.481 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.190 -8.272 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.008 -6.561 -5.804 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.047 -8.809 -6.460 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.682 -7.586 -7.543 1.00 0.00 H new ATOM 512 N SER A 35 -10.478 -7.205 -4.246 1.00 0.00 N ATOM 513 CA SER A 35 -9.195 -7.128 -3.623 1.00 0.00 C ATOM 514 C SER A 35 -8.516 -5.795 -4.046 1.00 0.00 C ATOM 515 O SER A 35 -7.857 -5.141 -3.199 1.00 0.00 O ATOM 516 CB SER A 35 -8.347 -8.399 -3.898 1.00 0.00 C ATOM 517 OG SER A 35 -7.066 -8.322 -3.337 1.00 0.00 O ATOM 0 H SER A 35 -10.553 -7.884 -5.003 1.00 0.00 H new ATOM 0 HA SER A 35 -9.299 -7.109 -2.538 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.864 -9.270 -3.496 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.260 -8.548 -4.974 1.00 0.00 H new ATOM 0 HG SER A 35 -7.113 -7.856 -2.476 1.00 0.00 H new ATOM 523 N CYS A 36 -8.753 -5.317 -5.330 1.00 0.00 N ATOM 524 CA CYS A 36 -8.265 -4.045 -5.689 1.00 0.00 C ATOM 525 C CYS A 36 -9.018 -3.074 -4.852 1.00 0.00 C ATOM 526 O CYS A 36 -8.428 -2.255 -4.189 1.00 0.00 O ATOM 527 CB CYS A 36 -8.461 -3.636 -7.174 1.00 0.00 C ATOM 528 SG CYS A 36 -7.851 -1.998 -7.534 1.00 0.00 S ATOM 0 H CYS A 36 -9.263 -5.816 -6.059 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.186 -4.060 -5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -7.951 -4.356 -7.814 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.521 -3.685 -7.421 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.121 -1.696 -8.769 1.00 0.00 H new ATOM 534 N GLN A 37 -10.373 -3.258 -4.878 1.00 0.00 N ATOM 535 CA GLN A 37 -11.362 -2.469 -4.140 1.00 0.00 C ATOM 536 C GLN A 37 -10.984 -2.273 -2.815 1.00 0.00 C ATOM 537 O GLN A 37 -11.019 -1.189 -2.351 1.00 0.00 O ATOM 538 CB GLN A 37 -12.788 -3.018 -4.158 1.00 0.00 C ATOM 539 CG GLN A 37 -13.447 -3.138 -5.558 1.00 0.00 C ATOM 540 CD GLN A 37 -14.946 -3.413 -5.475 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.391 -4.547 -5.425 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.737 -2.381 -5.485 1.00 0.00 N ATOM 0 H GLN A 37 -10.804 -3.992 -5.440 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.379 -1.525 -4.684 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.784 -4.004 -3.693 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.412 -2.376 -3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.280 -2.216 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.964 -3.940 -6.116 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.347 -1.440 -5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.748 -2.513 -5.451 1.00 0.00 H new ATOM 551 N LYS A 38 -10.624 -3.276 -2.215 1.00 0.00 N ATOM 552 CA LYS A 38 -10.289 -3.215 -0.939 1.00 0.00 C ATOM 553 C LYS A 38 -9.081 -2.317 -0.621 1.00 0.00 C ATOM 554 O LYS A 38 -9.151 -1.473 0.224 1.00 0.00 O ATOM 555 CB LYS A 38 -10.048 -4.507 -0.477 1.00 0.00 C ATOM 556 CG LYS A 38 -9.298 -4.436 0.759 1.00 0.00 C ATOM 557 CD LYS A 38 -9.703 -5.345 1.689 1.00 0.00 C ATOM 558 CE LYS A 38 -9.472 -6.716 1.209 1.00 0.00 C ATOM 559 NZ LYS A 38 -10.141 -7.679 2.071 1.00 0.00 N ATOM 0 H LYS A 38 -10.555 -4.204 -2.632 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.131 -2.749 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.990 -5.030 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.492 -5.075 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.241 -4.593 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.393 -3.433 1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.162 -5.185 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.762 -5.204 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.840 -6.817 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.402 -6.923 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.858 -8.642 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.872 -7.505 3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.171 -7.579 1.969 1.00 0.00 H new ATOM 573 N MET A 39 -7.984 -2.577 -1.273 1.00 0.00 N ATOM 574 CA MET A 39 -6.723 -1.844 -1.019 1.00 0.00 C ATOM 575 C MET A 39 -6.921 -0.404 -1.274 1.00 0.00 C ATOM 576 O MET A 39 -6.397 0.473 -0.619 1.00 0.00 O ATOM 577 CB MET A 39 -5.692 -2.281 -1.997 1.00 0.00 C ATOM 578 CG MET A 39 -4.848 -3.402 -1.596 1.00 0.00 C ATOM 579 SD MET A 39 -3.334 -2.991 -0.697 1.00 0.00 S ATOM 580 CE MET A 39 -3.951 -2.016 0.621 1.00 0.00 C ATOM 0 H MET A 39 -7.912 -3.293 -1.996 1.00 0.00 H new ATOM 0 HA MET A 39 -6.422 -2.036 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.195 -2.548 -2.927 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.047 -1.430 -2.216 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.443 -4.072 -0.975 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.572 -3.959 -2.491 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.131 -1.739 1.284 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.414 -1.114 0.221 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.692 -2.587 1.180 1.00 0.00 H new ATOM 590 N LYS A 40 -7.623 -0.240 -2.285 1.00 0.00 N ATOM 591 CA LYS A 40 -8.082 0.961 -2.839 1.00 0.00 C ATOM 592 C LYS A 40 -8.861 1.674 -1.778 1.00 0.00 C ATOM 593 O LYS A 40 -8.563 2.741 -1.434 1.00 0.00 O ATOM 594 CB LYS A 40 -9.012 0.517 -3.839 1.00 0.00 C ATOM 595 CG LYS A 40 -9.046 1.220 -5.045 1.00 0.00 C ATOM 596 CD LYS A 40 -9.970 0.484 -5.953 1.00 0.00 C ATOM 597 CE LYS A 40 -9.669 0.759 -7.342 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.143 2.087 -7.728 1.00 0.00 N ATOM 0 H LYS A 40 -7.941 -1.042 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.294 1.609 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.791 -0.526 -4.064 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.011 0.545 -3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.393 2.241 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.049 1.287 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.891 -0.587 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.000 0.770 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.593 0.691 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.135 0.004 -7.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.387 2.593 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.971 1.993 -8.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.409 2.622 -6.877 1.00 0.00 H new ATOM 612 N ARG A 41 -9.788 0.927 -1.188 1.00 0.00 N ATOM 613 CA ARG A 41 -10.665 1.302 -0.068 1.00 0.00 C ATOM 614 C ARG A 41 -9.911 1.452 1.138 1.00 0.00 C ATOM 615 O ARG A 41 -10.439 1.831 2.119 1.00 0.00 O ATOM 616 CB ARG A 41 -11.635 0.254 0.196 1.00 0.00 C ATOM 617 CG ARG A 41 -12.898 0.350 -0.615 1.00 0.00 C ATOM 618 CD ARG A 41 -13.837 -0.676 -0.133 1.00 0.00 C ATOM 619 NE ARG A 41 -15.087 -0.763 -0.901 1.00 0.00 N ATOM 620 CZ ARG A 41 -15.893 -1.843 -0.917 1.00 0.00 C ATOM 621 NH1 ARG A 41 -15.561 -2.941 -0.241 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.032 -1.820 -1.605 1.00 0.00 N ATOM 0 H ARG A 41 -9.965 -0.029 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.153 2.235 -0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.168 -0.712 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.896 0.277 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.337 1.343 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.682 0.200 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.341 -1.646 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.079 -0.469 0.909 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.362 0.046 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.692 -2.968 0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.175 -3.755 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.298 -0.983 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.639 -2.640 -1.614 1.00 0.00 H new ATOM 636 N VAL A 42 -8.712 0.999 1.107 1.00 0.00 N ATOM 637 CA VAL A 42 -7.841 1.168 2.137 1.00 0.00 C ATOM 638 C VAL A 42 -7.117 2.450 2.017 1.00 0.00 C ATOM 639 O VAL A 42 -7.040 3.182 2.973 1.00 0.00 O ATOM 640 CB VAL A 42 -7.021 -0.058 2.497 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.596 0.323 2.883 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.731 -0.597 3.654 1.00 0.00 C ATOM 0 H VAL A 42 -8.325 0.483 0.317 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.431 1.265 3.048 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.927 -0.762 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.035 -0.577 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.115 0.828 2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.618 0.990 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.224 -1.496 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.746 0.147 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.754 -0.845 3.370 1.00 0.00 H new ATOM 652 N VAL A 43 -6.642 2.740 0.833 1.00 0.00 N ATOM 653 CA VAL A 43 -6.199 4.023 0.472 1.00 0.00 C ATOM 654 C VAL A 43 -7.279 4.983 0.791 1.00 0.00 C ATOM 655 O VAL A 43 -7.095 5.915 1.527 1.00 0.00 O ATOM 656 CB VAL A 43 -5.878 4.050 -1.037 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.708 5.441 -1.501 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.663 3.118 -1.440 1.00 0.00 C ATOM 0 H VAL A 43 -6.559 2.053 0.083 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.294 4.290 1.018 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.735 3.623 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.482 5.444 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.628 5.999 -1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.889 5.909 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.493 3.186 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.766 3.439 -0.910 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.892 2.086 -1.173 1.00 0.00 H new ATOM 668 N GLN A 44 -8.405 4.645 0.354 1.00 0.00 N ATOM 669 CA GLN A 44 -9.531 5.443 0.466 1.00 0.00 C ATOM 670 C GLN A 44 -10.095 5.466 1.895 1.00 0.00 C ATOM 671 O GLN A 44 -10.654 6.502 2.338 1.00 0.00 O ATOM 672 CB GLN A 44 -10.518 5.005 -0.582 1.00 0.00 C ATOM 673 CG GLN A 44 -9.927 5.214 -1.961 1.00 0.00 C ATOM 674 CD GLN A 44 -9.739 6.667 -2.352 1.00 0.00 C ATOM 675 OE1 GLN A 44 -8.832 6.986 -3.103 1.00 0.00 O ATOM 676 NE2 GLN A 44 -10.577 7.554 -1.870 1.00 0.00 N ATOM 0 H GLN A 44 -8.577 3.757 -0.117 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.274 6.486 0.279 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.771 3.954 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.444 5.572 -0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.961 4.710 -2.009 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.573 4.734 -2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.327 7.260 -1.244 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.479 8.538 -2.121 1.00 0.00 H new ATOM 685 N HIS A 45 -9.874 4.356 2.658 1.00 0.00 N ATOM 686 CA HIS A 45 -10.377 4.273 4.070 1.00 0.00 C ATOM 687 C HIS A 45 -9.622 5.268 4.790 1.00 0.00 C ATOM 688 O HIS A 45 -10.157 6.159 5.345 1.00 0.00 O ATOM 689 CB HIS A 45 -10.128 2.890 4.721 1.00 0.00 C ATOM 690 CG HIS A 45 -10.746 2.654 6.089 1.00 0.00 C ATOM 691 ND1 HIS A 45 -11.988 2.087 6.261 1.00 0.00 N ATOM 692 CD2 HIS A 45 -10.261 2.858 7.342 1.00 0.00 C ATOM 693 CE1 HIS A 45 -12.245 1.956 7.542 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.212 2.414 8.223 1.00 0.00 N ATOM 0 H HIS A 45 -9.369 3.530 2.337 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.456 4.429 4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.502 2.123 4.043 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -9.051 2.743 4.805 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.304 3.290 7.596 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -13.149 1.543 7.966 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -11.134 2.434 9.240 1.00 0.00 H new ATOM 703 N THR A 46 -8.361 5.115 4.628 1.00 0.00 N ATOM 704 CA THR A 46 -7.333 5.979 5.077 1.00 0.00 C ATOM 705 C THR A 46 -7.698 7.444 4.875 1.00 0.00 C ATOM 706 O THR A 46 -7.864 8.133 5.824 1.00 0.00 O ATOM 707 CB THR A 46 -6.030 5.561 4.289 1.00 0.00 C ATOM 708 OG1 THR A 46 -5.500 4.396 4.776 1.00 0.00 O ATOM 709 CG2 THR A 46 -4.963 6.542 4.139 1.00 0.00 C ATOM 0 H THR A 46 -7.987 4.306 4.131 1.00 0.00 H new ATOM 0 HA THR A 46 -7.174 5.881 6.151 1.00 0.00 H new ATOM 0 HB THR A 46 -6.425 5.444 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.770 3.649 4.202 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.140 6.102 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.342 7.414 3.606 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.607 6.846 5.123 1.00 0.00 H new ATOM 717 N LYS A 47 -8.000 7.861 3.707 1.00 0.00 N ATOM 718 CA LYS A 47 -8.068 9.275 3.443 1.00 0.00 C ATOM 719 C LYS A 47 -9.279 9.905 4.066 1.00 0.00 C ATOM 720 O LYS A 47 -9.210 11.047 4.531 1.00 0.00 O ATOM 721 CB LYS A 47 -8.142 9.481 2.017 1.00 0.00 C ATOM 722 CG LYS A 47 -7.098 8.718 1.181 1.00 0.00 C ATOM 723 CD LYS A 47 -7.166 9.091 -0.259 1.00 0.00 C ATOM 724 CE LYS A 47 -6.248 10.222 -0.487 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.467 10.896 -1.782 1.00 0.00 N ATOM 0 H LYS A 47 -8.206 7.260 2.909 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.178 9.735 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.136 9.191 1.677 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.034 10.547 1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.100 8.929 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.260 7.645 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.887 8.243 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.184 9.367 -0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.368 10.947 0.318 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.220 9.862 -0.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.792 11.681 -1.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.325 10.216 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.438 11.267 -1.821 1.00 0.00 H new ATOM 739 N GLY A 48 -10.380 9.191 4.069 1.00 0.00 N ATOM 740 CA GLY A 48 -11.519 9.739 4.735 1.00 0.00 C ATOM 741 C GLY A 48 -11.409 9.520 6.224 1.00 0.00 C ATOM 742 O GLY A 48 -12.073 10.196 7.016 1.00 0.00 O ATOM 0 H GLY A 48 -10.503 8.275 3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.596 10.805 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.429 9.272 4.358 1.00 0.00 H new ATOM 746 N CYS A 49 -10.559 8.582 6.607 1.00 0.00 N ATOM 747 CA CYS A 49 -10.403 8.236 8.014 1.00 0.00 C ATOM 748 C CYS A 49 -9.226 8.933 8.622 1.00 0.00 C ATOM 749 O CYS A 49 -8.322 8.266 8.936 1.00 0.00 O ATOM 750 CB CYS A 49 -10.243 6.700 8.220 1.00 0.00 C ATOM 751 SG CYS A 49 -11.752 5.756 7.882 1.00 0.00 S ATOM 0 H CYS A 49 -9.969 8.048 5.969 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.315 8.566 8.512 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.446 6.337 7.572 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.930 6.511 9.247 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.727 5.321 6.657 1.00 0.00 H new ATOM 757 N LYS A 50 -9.285 10.244 8.929 1.00 0.00 N ATOM 758 CA LYS A 50 -8.054 11.024 9.371 1.00 0.00 C ATOM 759 C LYS A 50 -7.525 10.577 10.726 1.00 0.00 C ATOM 760 O LYS A 50 -6.372 10.915 11.207 1.00 0.00 O ATOM 761 CB LYS A 50 -8.284 12.481 9.291 1.00 0.00 C ATOM 762 CG LYS A 50 -7.033 13.282 9.026 1.00 0.00 C ATOM 763 CD LYS A 50 -6.478 13.065 7.593 1.00 0.00 C ATOM 764 CE LYS A 50 -7.530 13.257 6.490 1.00 0.00 C ATOM 765 NZ LYS A 50 -8.098 14.615 6.435 1.00 0.00 N ATOM 0 H LYS A 50 -10.140 10.798 8.889 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.257 10.791 8.665 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.007 12.682 8.501 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.730 12.821 10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.246 14.341 9.173 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.269 13.007 9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.654 13.758 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.067 12.058 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.078 13.024 5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.338 12.542 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.798 14.668 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.559 14.835 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.338 15.302 6.257 1.00 0.00 H new ATOM 779 N ARG A 51 -8.275 9.687 11.273 1.00 0.00 N ATOM 780 CA ARG A 51 -7.887 8.949 12.401 1.00 0.00 C ATOM 781 C ARG A 51 -6.668 8.041 12.043 1.00 0.00 C ATOM 782 O ARG A 51 -6.127 7.347 12.906 1.00 0.00 O ATOM 783 CB ARG A 51 -9.029 8.150 13.031 1.00 0.00 C ATOM 784 CG ARG A 51 -10.147 8.990 13.620 1.00 0.00 C ATOM 785 CD ARG A 51 -9.764 9.675 14.916 1.00 0.00 C ATOM 786 NE ARG A 51 -10.829 10.576 15.353 1.00 0.00 N ATOM 787 CZ ARG A 51 -11.268 10.731 16.607 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.733 10.031 17.611 1.00 0.00 N ATOM 789 NH2 ARG A 51 -12.246 11.593 16.848 1.00 0.00 N ATOM 0 H ARG A 51 -9.206 9.452 10.928 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.587 9.662 13.169 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.451 7.489 12.274 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.619 7.515 13.816 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.446 9.745 12.893 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.015 8.355 13.796 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.573 8.928 15.686 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.839 10.235 14.779 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.280 11.140 14.633 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.980 9.368 17.426 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.077 10.159 18.562 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.654 12.128 16.082 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.590 11.721 17.800 1.00 0.00 H new ATOM 803 N LYS A 52 -6.290 8.084 10.751 1.00 0.00 N ATOM 804 CA LYS A 52 -5.275 7.304 10.109 1.00 0.00 C ATOM 805 C LYS A 52 -4.058 7.150 10.991 1.00 0.00 C ATOM 806 O LYS A 52 -3.813 6.069 11.545 1.00 0.00 O ATOM 807 CB LYS A 52 -4.840 8.196 8.887 1.00 0.00 C ATOM 808 CG LYS A 52 -5.863 8.430 7.829 1.00 0.00 C ATOM 809 CD LYS A 52 -5.517 9.608 6.952 1.00 0.00 C ATOM 810 CE LYS A 52 -5.115 9.307 5.574 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.857 10.553 4.823 1.00 0.00 N ATOM 0 H LYS A 52 -6.738 8.725 10.097 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.643 6.309 9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.520 9.165 9.270 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.969 7.734 8.422 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.957 7.536 7.213 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.833 8.599 8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.381 10.272 6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.708 10.162 7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.219 8.687 5.578 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.898 8.733 5.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.383 10.326 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.758 11.033 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.247 11.179 5.387 1.00 0.00 H new ATOM 825 N THR A 53 -3.312 8.177 11.146 1.00 0.00 N ATOM 826 CA THR A 53 -2.393 8.268 12.130 1.00 0.00 C ATOM 827 C THR A 53 -2.916 8.950 13.389 1.00 0.00 C ATOM 828 O THR A 53 -2.429 8.677 14.487 1.00 0.00 O ATOM 829 CB THR A 53 -1.059 8.744 11.584 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.289 9.898 10.745 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.460 7.590 10.745 1.00 0.00 C ATOM 0 H THR A 53 -3.355 8.998 10.543 1.00 0.00 H new ATOM 0 HA THR A 53 -2.183 7.268 12.509 1.00 0.00 H new ATOM 0 HB THR A 53 -0.374 9.018 12.387 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.435 10.217 10.387 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.502 7.899 10.336 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.321 6.714 11.378 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.139 7.343 9.929 1.00 0.00 H new ATOM 839 N ASN A 54 -3.963 9.838 13.246 1.00 0.00 N ATOM 840 CA ASN A 54 -4.360 10.663 14.387 1.00 0.00 C ATOM 841 C ASN A 54 -5.002 9.883 15.517 1.00 0.00 C ATOM 842 O ASN A 54 -4.854 10.242 16.683 1.00 0.00 O ATOM 843 CB ASN A 54 -5.258 11.807 13.983 1.00 0.00 C ATOM 844 CG ASN A 54 -4.566 12.873 13.126 1.00 0.00 C ATOM 845 OD1 ASN A 54 -3.652 12.584 12.338 1.00 0.00 O ATOM 846 ND2 ASN A 54 -4.976 14.106 13.286 1.00 0.00 N ATOM 0 H ASN A 54 -4.503 9.978 12.392 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.421 11.066 14.767 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.110 11.409 13.431 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.653 12.279 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.542 14.861 12.755 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.730 14.312 13.942 1.00 0.00 H new ATOM 853 N GLY A 55 -5.696 8.836 15.183 1.00 0.00 N ATOM 854 CA GLY A 55 -6.371 8.036 16.178 1.00 0.00 C ATOM 855 C GLY A 55 -5.846 6.624 16.234 1.00 0.00 C ATOM 856 O GLY A 55 -6.453 5.753 16.873 1.00 0.00 O ATOM 0 H GLY A 55 -5.814 8.509 14.224 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.254 8.503 17.156 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.439 8.015 15.960 1.00 0.00 H new ATOM 860 N GLY A 56 -4.720 6.387 15.566 1.00 0.00 N ATOM 861 CA GLY A 56 -4.139 5.087 15.536 1.00 0.00 C ATOM 862 C GLY A 56 -4.991 4.108 14.871 1.00 0.00 C ATOM 863 O GLY A 56 -5.205 3.023 15.400 1.00 0.00 O ATOM 0 H GLY A 56 -4.205 7.095 15.042 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.178 5.134 15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.941 4.758 16.556 1.00 0.00 H new ATOM 867 N CYS A 57 -5.483 4.437 13.721 1.00 0.00 N ATOM 868 CA CYS A 57 -6.281 3.480 13.050 1.00 0.00 C ATOM 869 C CYS A 57 -5.360 2.917 12.049 1.00 0.00 C ATOM 870 O CYS A 57 -5.292 3.480 10.934 1.00 0.00 O ATOM 871 CB CYS A 57 -7.541 4.118 12.357 1.00 0.00 C ATOM 872 SG CYS A 57 -8.615 2.958 11.473 1.00 0.00 S ATOM 0 H CYS A 57 -5.350 5.329 13.245 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.693 2.739 13.735 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.133 4.627 13.117 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.201 4.879 11.655 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.614 3.604 10.950 1.00 0.00 H new ATOM 878 N PRO A 58 -4.504 1.865 12.357 1.00 0.00 N ATOM 879 CA PRO A 58 -3.491 1.782 11.375 1.00 0.00 C ATOM 880 C PRO A 58 -3.824 0.941 10.154 1.00 0.00 C ATOM 881 O PRO A 58 -3.059 0.044 9.794 1.00 0.00 O ATOM 882 CB PRO A 58 -2.694 0.713 12.186 1.00 0.00 C ATOM 883 CG PRO A 58 -3.805 -0.196 12.581 1.00 0.00 C ATOM 884 CD PRO A 58 -4.760 0.696 13.166 1.00 0.00 C ATOM 0 HA PRO A 58 -3.140 2.756 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.939 0.210 11.582 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.180 1.141 13.047 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.219 -0.724 11.722 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.473 -0.954 13.291 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.785 0.336 13.073 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.579 0.870 14.227 1.00 0.00 H new ATOM 892 N ILE A 59 -4.480 1.548 9.312 1.00 0.00 N ATOM 893 CA ILE A 59 -4.585 1.234 8.051 1.00 0.00 C ATOM 894 C ILE A 59 -3.775 1.993 7.226 1.00 0.00 C ATOM 895 O ILE A 59 -2.944 1.523 6.637 1.00 0.00 O ATOM 896 CB ILE A 59 -5.927 0.747 7.665 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.245 0.751 6.259 1.00 0.00 C ATOM 898 CG2 ILE A 59 -7.045 1.165 8.565 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.875 2.025 5.776 1.00 0.00 C ATOM 0 H ILE A 59 -5.016 2.382 9.550 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.090 0.289 7.826 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.821 -0.320 7.861 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.332 0.572 5.691 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.920 -0.078 6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.984 0.755 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.860 0.792 9.572 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.107 2.253 8.587 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.083 1.946 4.709 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.806 2.198 6.315 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.194 2.857 5.953 1.00 0.00 H new ATOM 911 N CYS A 60 -4.005 3.290 7.394 1.00 0.00 N ATOM 912 CA CYS A 60 -3.215 4.398 6.860 1.00 0.00 C ATOM 913 C CYS A 60 -1.941 4.435 7.545 1.00 0.00 C ATOM 914 O CYS A 60 -1.067 5.005 7.108 1.00 0.00 O ATOM 915 CB CYS A 60 -3.825 5.764 7.131 1.00 0.00 C ATOM 916 SG CYS A 60 -2.874 7.148 6.422 1.00 0.00 S ATOM 0 H CYS A 60 -4.800 3.619 7.942 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.150 4.223 5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.837 5.786 6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.909 5.907 8.208 1.00 0.00 H new ATOM 0 HG CYS A 60 -2.562 6.874 5.190 1.00 0.00 H new ATOM 922 N LYS A 61 -1.871 3.905 8.676 1.00 0.00 N ATOM 923 CA LYS A 61 -0.662 3.916 9.333 1.00 0.00 C ATOM 924 C LYS A 61 0.164 2.879 8.770 1.00 0.00 C ATOM 925 O LYS A 61 1.293 3.153 8.417 1.00 0.00 O ATOM 926 CB LYS A 61 -0.802 3.717 10.728 1.00 0.00 C ATOM 927 CG LYS A 61 0.461 3.928 11.431 1.00 0.00 C ATOM 928 CD LYS A 61 0.399 3.235 12.707 1.00 0.00 C ATOM 929 CE LYS A 61 -0.827 3.566 13.568 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.637 3.060 14.946 1.00 0.00 N ATOM 0 H LYS A 61 -2.642 3.455 9.169 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.206 4.897 9.201 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.556 4.400 11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.160 2.705 10.918 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.293 3.552 10.836 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.635 4.993 11.586 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.414 2.161 12.521 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.298 3.472 13.276 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.986 4.644 13.588 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.720 3.120 13.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.474 3.290 15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.507 2.028 14.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.204 3.505 15.366 1.00 0.00 H new ATOM 944 N GLN A 62 -0.373 1.670 8.629 1.00 0.00 N ATOM 945 CA GLN A 62 0.467 0.716 8.009 1.00 0.00 C ATOM 946 C GLN A 62 0.487 0.863 6.493 1.00 0.00 C ATOM 947 O GLN A 62 1.372 0.410 5.856 1.00 0.00 O ATOM 948 CB GLN A 62 0.301 -0.661 8.546 1.00 0.00 C ATOM 949 CG GLN A 62 0.467 -0.695 10.081 1.00 0.00 C ATOM 950 CD GLN A 62 0.870 -2.052 10.575 1.00 0.00 C ATOM 951 OE1 GLN A 62 2.050 -2.340 10.741 1.00 0.00 O ATOM 952 NE2 GLN A 62 -0.056 -2.887 10.792 1.00 0.00 N ATOM 0 H GLN A 62 -1.304 1.367 8.914 1.00 0.00 H new ATOM 0 HA GLN A 62 1.492 0.945 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.685 -1.041 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.034 -1.323 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.217 0.037 10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.471 -0.402 10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.029 -2.619 10.645 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.171 -3.828 11.114 1.00 0.00 H new ATOM 961 N LEU A 63 -0.494 1.533 5.970 1.00 0.00 N ATOM 962 CA LEU A 63 -0.523 2.010 4.615 1.00 0.00 C ATOM 963 C LEU A 63 0.419 3.186 4.413 1.00 0.00 C ATOM 964 O LEU A 63 1.074 3.182 3.508 1.00 0.00 O ATOM 965 CB LEU A 63 -1.922 2.309 4.184 1.00 0.00 C ATOM 966 CG LEU A 63 -2.129 3.262 3.090 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.421 2.821 1.893 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.496 3.260 2.792 1.00 0.00 C ATOM 0 H LEU A 63 -1.334 1.774 6.496 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.155 1.214 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.388 1.367 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.464 2.680 5.054 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.767 4.247 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.584 3.539 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.354 2.751 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.795 1.844 1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.692 3.959 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.801 2.258 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.061 3.561 3.674 1.00 0.00 H new ATOM 980 N ILE A 64 0.432 4.211 5.254 1.00 0.00 N ATOM 981 CA ILE A 64 1.507 5.254 5.215 1.00 0.00 C ATOM 982 C ILE A 64 2.810 4.559 5.263 1.00 0.00 C ATOM 983 O ILE A 64 3.652 4.839 4.525 1.00 0.00 O ATOM 984 CB ILE A 64 1.463 6.260 6.447 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.423 7.371 6.301 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.829 6.754 6.927 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.467 8.467 7.357 1.00 0.00 C ATOM 0 H ILE A 64 -0.274 4.363 5.975 1.00 0.00 H new ATOM 0 HA ILE A 64 1.358 5.837 4.306 1.00 0.00 H new ATOM 0 HB ILE A 64 1.107 5.642 7.271 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.548 7.832 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.568 6.918 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.695 7.434 7.769 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.434 5.903 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.333 7.278 6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.314 9.200 7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.307 8.029 8.342 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.440 8.958 7.332 1.00 0.00 H new ATOM 999 N ALA A 65 2.913 3.662 6.166 1.00 0.00 N ATOM 1000 CA ALA A 65 4.071 2.849 6.342 1.00 0.00 C ATOM 1001 C ALA A 65 4.442 2.195 5.029 1.00 0.00 C ATOM 1002 O ALA A 65 5.575 2.264 4.549 1.00 0.00 O ATOM 1003 CB ALA A 65 3.711 1.794 7.301 1.00 0.00 C ATOM 0 H ALA A 65 2.169 3.459 6.833 1.00 0.00 H new ATOM 0 HA ALA A 65 4.911 3.449 6.693 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.571 1.145 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.411 2.248 8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.884 1.206 6.902 1.00 0.00 H new ATOM 1009 N LEU A 66 3.439 1.597 4.473 1.00 0.00 N ATOM 1010 CA LEU A 66 3.475 0.948 3.244 1.00 0.00 C ATOM 1011 C LEU A 66 3.769 1.918 2.039 1.00 0.00 C ATOM 1012 O LEU A 66 4.775 1.781 1.327 1.00 0.00 O ATOM 1013 CB LEU A 66 2.153 0.186 3.072 1.00 0.00 C ATOM 1014 CG LEU A 66 1.826 -0.168 1.656 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.727 -1.173 1.269 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.414 -0.628 1.353 1.00 0.00 C ATOM 0 H LEU A 66 2.519 1.558 4.912 1.00 0.00 H new ATOM 0 HA LEU A 66 4.310 0.248 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.195 -0.729 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.343 0.791 3.479 1.00 0.00 H new ATOM 0 HG LEU A 66 1.911 0.763 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.526 -1.465 0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.747 -0.797 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.608 -2.039 1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.324 -0.849 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.192 -1.525 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.291 0.159 1.621 1.00 0.00 H new ATOM 1028 N ALA A 67 2.874 2.850 1.830 1.00 0.00 N ATOM 1029 CA ALA A 67 2.921 3.836 0.836 1.00 0.00 C ATOM 1030 C ALA A 67 4.190 4.638 0.918 1.00 0.00 C ATOM 1031 O ALA A 67 4.825 4.871 -0.093 1.00 0.00 O ATOM 1032 CB ALA A 67 1.691 4.736 0.946 1.00 0.00 C ATOM 0 H ALA A 67 2.037 2.925 2.408 1.00 0.00 H new ATOM 0 HA ALA A 67 2.914 3.348 -0.139 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.730 5.502 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.789 4.137 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.675 5.212 1.927 1.00 0.00 H new ATOM 1038 N ALA A 68 4.563 5.049 2.120 1.00 0.00 N ATOM 1039 CA ALA A 68 5.740 5.837 2.319 1.00 0.00 C ATOM 1040 C ALA A 68 6.997 5.116 2.066 1.00 0.00 C ATOM 1041 O ALA A 68 7.880 5.713 1.556 1.00 0.00 O ATOM 1042 CB ALA A 68 5.790 6.557 3.648 1.00 0.00 C ATOM 0 H ALA A 68 4.050 4.839 2.976 1.00 0.00 H new ATOM 0 HA ALA A 68 5.652 6.603 1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.714 7.130 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.938 7.232 3.729 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.754 5.829 4.458 1.00 0.00 H new ATOM 1048 N TYR A 69 7.119 3.840 2.408 1.00 0.00 N ATOM 1049 CA TYR A 69 8.350 3.169 2.101 1.00 0.00 C ATOM 1050 C TYR A 69 8.437 2.985 0.597 1.00 0.00 C ATOM 1051 O TYR A 69 9.522 3.018 0.008 1.00 0.00 O ATOM 1052 CB TYR A 69 8.475 1.880 2.898 1.00 0.00 C ATOM 1053 CG TYR A 69 8.168 0.584 2.240 1.00 0.00 C ATOM 1054 CD1 TYR A 69 9.179 -0.074 1.584 1.00 0.00 C ATOM 1055 CD2 TYR A 69 6.929 0.013 2.259 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.972 -1.251 0.951 1.00 0.00 C ATOM 1057 CE2 TYR A 69 6.704 -1.177 1.615 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.751 -1.803 0.955 1.00 0.00 C ATOM 1059 OH TYR A 69 7.547 -2.972 0.263 1.00 0.00 O ATOM 0 H TYR A 69 6.408 3.279 2.877 1.00 0.00 H new ATOM 0 HA TYR A 69 9.209 3.768 2.403 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.498 1.824 3.271 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.823 1.968 3.767 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.168 0.361 1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.121 0.501 2.784 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.788 -1.744 0.444 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.720 -1.623 1.622 1.00 0.00 H new ATOM 0 HH TYR A 69 8.377 -3.493 0.249 1.00 0.00 H new ATOM 1069 N HIS A 70 7.263 2.841 -0.015 1.00 0.00 N ATOM 1070 CA HIS A 70 7.153 2.836 -1.488 1.00 0.00 C ATOM 1071 C HIS A 70 7.687 4.133 -2.006 1.00 0.00 C ATOM 1072 O HIS A 70 8.569 4.157 -2.808 1.00 0.00 O ATOM 1073 CB HIS A 70 5.692 2.706 -2.019 1.00 0.00 C ATOM 1074 CG HIS A 70 5.565 2.731 -3.535 1.00 0.00 C ATOM 1075 ND1 HIS A 70 6.065 1.754 -4.377 1.00 0.00 N ATOM 1076 CD2 HIS A 70 4.976 3.649 -4.343 1.00 0.00 C ATOM 1077 CE1 HIS A 70 5.780 2.081 -5.627 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.126 3.214 -5.626 1.00 0.00 N ATOM 0 H HIS A 70 6.376 2.726 0.475 1.00 0.00 H new ATOM 0 HA HIS A 70 7.711 1.965 -1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.266 1.774 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.095 3.518 -1.604 1.00 0.00 H new ATOM 0 HD1 HIS A 70 6.571 0.918 -4.083 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.481 4.555 -4.028 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.044 1.507 -6.503 1.00 0.00 H new ATOM 1087 N ALA A 71 7.082 5.178 -1.530 1.00 0.00 N ATOM 1088 CA ALA A 71 7.367 6.557 -1.839 1.00 0.00 C ATOM 1089 C ALA A 71 8.803 6.852 -1.692 1.00 0.00 C ATOM 1090 O ALA A 71 9.439 7.379 -2.568 1.00 0.00 O ATOM 1091 CB ALA A 71 6.673 7.341 -0.808 1.00 0.00 C ATOM 0 H ALA A 71 6.316 5.088 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 71 7.061 6.781 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.846 8.403 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.603 7.136 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.054 7.066 0.176 1.00 0.00 H new ATOM 1097 N LYS A 72 9.271 6.472 -0.564 1.00 0.00 N ATOM 1098 CA LYS A 72 10.607 6.663 -0.111 1.00 0.00 C ATOM 1099 C LYS A 72 11.624 6.233 -1.192 1.00 0.00 C ATOM 1100 O LYS A 72 12.651 6.900 -1.410 1.00 0.00 O ATOM 1101 CB LYS A 72 10.805 5.855 1.173 1.00 0.00 C ATOM 1102 CG LYS A 72 10.822 6.673 2.415 1.00 0.00 C ATOM 1103 CD LYS A 72 10.296 5.829 3.510 1.00 0.00 C ATOM 1104 CE LYS A 72 10.499 6.423 4.870 1.00 0.00 C ATOM 1105 NZ LYS A 72 9.851 7.747 5.028 1.00 0.00 N ATOM 0 H LYS A 72 8.694 5.984 0.121 1.00 0.00 H new ATOM 0 HA LYS A 72 10.777 7.721 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.008 5.116 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.743 5.305 1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.835 7.007 2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.211 7.568 2.293 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.231 5.662 3.350 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.781 4.854 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.104 5.739 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.568 6.523 5.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.968 8.076 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.292 8.429 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.838 7.666 4.809 1.00 0.00 H new ATOM 1119 N HIS A 73 11.309 5.127 -1.865 1.00 0.00 N ATOM 1120 CA HIS A 73 12.147 4.633 -2.994 1.00 0.00 C ATOM 1121 C HIS A 73 11.572 4.915 -4.440 1.00 0.00 C ATOM 1122 O HIS A 73 12.361 5.152 -5.357 1.00 0.00 O ATOM 1123 CB HIS A 73 12.507 3.131 -2.830 1.00 0.00 C ATOM 1124 CG HIS A 73 13.471 2.606 -3.846 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.826 2.741 -3.744 1.00 0.00 N ATOM 1126 CD2 HIS A 73 13.249 1.919 -4.981 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.392 2.164 -4.771 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.460 1.652 -5.540 1.00 0.00 N ATOM 0 H HIS A 73 10.492 4.551 -1.663 1.00 0.00 H new ATOM 0 HA HIS A 73 13.056 5.231 -2.927 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.928 2.979 -1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.590 2.544 -2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.286 1.632 -5.376 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.455 2.116 -4.957 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.617 1.141 -6.409 1.00 0.00 H new ATOM 1137 N CYS A 74 10.246 4.892 -4.649 1.00 0.00 N ATOM 1138 CA CYS A 74 9.674 5.132 -5.970 1.00 0.00 C ATOM 1139 C CYS A 74 9.816 6.629 -6.280 1.00 0.00 C ATOM 1140 O CYS A 74 9.199 7.429 -5.581 1.00 0.00 O ATOM 1141 CB CYS A 74 8.126 4.809 -6.019 1.00 0.00 C ATOM 1142 SG CYS A 74 7.513 4.452 -7.688 1.00 0.00 S ATOM 0 H CYS A 74 9.558 4.710 -3.919 1.00 0.00 H new ATOM 0 HA CYS A 74 10.196 4.491 -6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.921 3.954 -5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.573 5.655 -5.611 1.00 0.00 H new ATOM 0 HG CYS A 74 6.359 3.859 -7.609 1.00 0.00 H new ATOM 1148 N GLN A 75 10.613 7.057 -7.268 1.00 0.00 N ATOM 1149 CA GLN A 75 10.622 8.480 -7.537 1.00 0.00 C ATOM 1150 C GLN A 75 9.422 8.813 -8.386 1.00 0.00 C ATOM 1151 O GLN A 75 9.480 8.730 -9.614 1.00 0.00 O ATOM 1152 CB GLN A 75 11.937 8.992 -8.208 1.00 0.00 C ATOM 1153 CG GLN A 75 13.154 8.860 -7.313 1.00 0.00 C ATOM 1154 CD GLN A 75 13.169 9.900 -6.193 1.00 0.00 C ATOM 1155 OE1 GLN A 75 13.745 10.965 -6.365 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.496 9.654 -5.067 1.00 0.00 N ATOM 0 H GLN A 75 11.216 6.478 -7.852 1.00 0.00 H new ATOM 0 HA GLN A 75 10.575 8.996 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.109 8.434 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.811 10.038 -8.488 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.175 7.861 -6.878 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.057 8.965 -7.914 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.022 8.760 -4.941 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.456 10.360 -4.332 1.00 0.00 H new ATOM 1165 N GLU A 76 8.303 9.127 -7.744 1.00 0.00 N ATOM 1166 CA GLU A 76 7.142 9.476 -8.457 1.00 0.00 C ATOM 1167 C GLU A 76 6.349 10.484 -7.694 1.00 0.00 C ATOM 1168 O GLU A 76 6.095 10.338 -6.495 1.00 0.00 O ATOM 1169 CB GLU A 76 6.271 8.283 -8.856 1.00 0.00 C ATOM 1170 CG GLU A 76 5.069 8.731 -9.658 1.00 0.00 C ATOM 1171 CD GLU A 76 5.486 9.364 -10.960 1.00 0.00 C ATOM 1172 OE1 GLU A 76 5.659 8.649 -11.953 1.00 0.00 O ATOM 1173 OE2 GLU A 76 5.644 10.595 -10.989 1.00 0.00 O ATOM 0 H GLU A 76 8.203 9.139 -6.729 1.00 0.00 H new ATOM 0 HA GLU A 76 7.483 9.913 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.861 7.578 -9.442 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.939 7.755 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.423 7.876 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.485 9.443 -9.075 1.00 0.00 H new ATOM 1180 N ASN A 77 5.947 11.478 -8.393 1.00 0.00 N ATOM 1181 CA ASN A 77 5.333 12.598 -7.804 1.00 0.00 C ATOM 1182 C ASN A 77 3.915 12.775 -8.355 1.00 0.00 C ATOM 1183 O ASN A 77 3.221 13.749 -8.072 1.00 0.00 O ATOM 1184 CB ASN A 77 6.238 13.818 -8.004 1.00 0.00 C ATOM 1185 CG ASN A 77 5.771 15.093 -7.281 1.00 0.00 C ATOM 1186 OD1 ASN A 77 5.988 16.207 -7.764 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.167 14.958 -6.146 1.00 0.00 N ATOM 0 H ASN A 77 6.039 11.534 -9.407 1.00 0.00 H new ATOM 0 HA ASN A 77 5.213 12.461 -6.729 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.242 13.569 -7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.310 14.028 -9.071 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.859 15.783 -5.631 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.998 14.027 -5.766 1.00 0.00 H new ATOM 1194 N LYS A 78 3.513 11.829 -9.150 1.00 0.00 N ATOM 1195 CA LYS A 78 2.312 11.957 -9.917 1.00 0.00 C ATOM 1196 C LYS A 78 0.983 11.726 -9.262 1.00 0.00 C ATOM 1197 O LYS A 78 0.461 12.621 -8.604 1.00 0.00 O ATOM 1198 CB LYS A 78 2.419 11.313 -11.282 1.00 0.00 C ATOM 1199 CG LYS A 78 2.199 12.267 -12.439 1.00 0.00 C ATOM 1200 CD LYS A 78 3.173 13.440 -12.420 1.00 0.00 C ATOM 1201 CE LYS A 78 4.630 12.987 -12.406 1.00 0.00 C ATOM 1202 NZ LYS A 78 5.017 12.230 -13.616 1.00 0.00 N ATOM 0 H LYS A 78 4.008 10.948 -9.285 1.00 0.00 H new ATOM 0 HA LYS A 78 2.273 13.040 -10.032 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.406 10.861 -11.381 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.690 10.505 -11.348 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.306 11.725 -13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.178 12.646 -12.404 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.999 14.067 -13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.979 14.056 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.274 13.861 -12.311 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.802 12.366 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.016 11.951 -13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.425 11.379 -13.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.882 12.827 -14.457 1.00 0.00 H new ATOM 1216 N CYS A 79 0.417 10.563 -9.412 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.977 10.518 -9.146 1.00 0.00 C ATOM 1218 C CYS A 79 -1.563 9.503 -8.180 1.00 0.00 C ATOM 1219 O CYS A 79 -2.365 9.920 -7.351 1.00 0.00 O ATOM 1220 CB CYS A 79 -1.757 10.532 -10.462 1.00 0.00 C ATOM 1221 SG CYS A 79 -1.299 9.205 -11.613 1.00 0.00 S ATOM 0 H CYS A 79 0.867 9.693 -9.697 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.101 11.424 -8.552 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.822 10.455 -10.241 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.602 11.493 -10.953 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.015 9.301 -12.694 1.00 0.00 H new ATOM 1227 N PRO A 80 -1.242 8.181 -8.170 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.147 7.331 -7.571 1.00 0.00 C ATOM 1229 C PRO A 80 -2.028 7.100 -6.078 1.00 0.00 C ATOM 1230 O PRO A 80 -3.052 7.024 -5.394 1.00 0.00 O ATOM 1231 CB PRO A 80 -2.001 6.101 -8.439 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.566 5.993 -8.791 1.00 0.00 C ATOM 1233 CD PRO A 80 -0.018 7.383 -8.622 1.00 0.00 C ATOM 0 HA PRO A 80 -3.152 7.753 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.337 5.211 -7.907 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.614 6.186 -9.336 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.052 5.285 -8.141 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.436 5.639 -9.814 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.781 7.415 -7.881 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.395 7.770 -9.553 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.852 7.062 -5.545 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.751 6.562 -4.218 1.00 0.00 C ATOM 1243 C VAL A 81 -0.542 7.616 -3.109 1.00 0.00 C ATOM 1244 O VAL A 81 0.356 8.551 -3.222 1.00 0.00 O ATOM 1245 CB VAL A 81 0.290 5.400 -4.110 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.300 4.718 -2.722 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.010 4.386 -5.180 1.00 0.00 C ATOM 0 H VAL A 81 0.019 7.358 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.746 6.165 -4.019 1.00 0.00 H new ATOM 0 HB VAL A 81 1.279 5.837 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.044 3.921 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.548 5.454 -1.957 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.684 4.298 -2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.733 3.573 -5.109 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.997 3.988 -5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.090 4.859 -6.159 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.367 7.422 -1.986 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.259 8.069 -0.698 1.00 0.00 C ATOM 1259 C PRO A 82 0.108 7.793 -0.239 1.00 0.00 C ATOM 1260 O PRO A 82 0.741 6.939 -0.779 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.306 7.390 0.199 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.455 6.130 -0.479 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.433 6.505 -1.937 1.00 0.00 C ATOM 0 HA PRO A 82 -1.434 9.145 -0.703 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.958 7.270 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.240 7.950 0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.646 5.443 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.388 5.636 -0.206 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.258 5.641 -2.578 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.373 6.954 -2.257 1.00 0.00 H new ATOM 1271 N PHE A 83 0.464 8.315 0.830 1.00 0.00 N ATOM 1272 CA PHE A 83 1.765 8.851 0.987 1.00 0.00 C ATOM 1273 C PHE A 83 2.947 8.057 0.377 1.00 0.00 C ATOM 1274 O PHE A 83 3.793 7.518 0.966 1.00 0.00 O ATOM 1275 CB PHE A 83 1.973 9.166 2.419 1.00 0.00 C ATOM 1276 CG PHE A 83 0.726 9.765 3.059 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.275 8.915 3.526 1.00 0.00 C ATOM 1278 CD2 PHE A 83 0.514 11.126 3.136 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.433 9.390 4.053 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -0.675 11.613 3.667 1.00 0.00 C ATOM 1281 CZ PHE A 83 -1.645 10.724 4.125 1.00 0.00 C ATOM 0 H PHE A 83 -0.132 8.397 1.654 1.00 0.00 H new ATOM 0 HA PHE A 83 1.785 9.752 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.254 8.258 2.953 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.803 9.865 2.520 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.125 7.847 3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 83 1.270 11.812 2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.184 8.703 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.846 12.678 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.569 11.101 4.539 1.00 0.00 H new ATOM 1291 N CYS A 84 2.922 8.398 -0.811 1.00 0.00 N ATOM 1292 CA CYS A 84 3.580 8.275 -2.010 1.00 0.00 C ATOM 1293 C CYS A 84 3.373 9.700 -2.334 1.00 0.00 C ATOM 1294 O CYS A 84 3.628 10.454 -1.446 1.00 0.00 O ATOM 1295 CB CYS A 84 2.952 7.268 -2.984 1.00 0.00 C ATOM 1296 SG CYS A 84 3.789 7.119 -4.589 1.00 0.00 S ATOM 0 H CYS A 84 2.128 9.000 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 84 4.596 7.881 -2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.937 6.288 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.915 7.554 -3.158 1.00 0.00 H new ATOM 0 HG CYS A 84 3.170 6.241 -5.321 1.00 0.00 H new ATOM 1302 N LEU A 85 3.127 10.072 -3.537 1.00 0.00 N ATOM 1303 CA LEU A 85 3.154 11.509 -4.089 1.00 0.00 C ATOM 1304 C LEU A 85 2.602 12.752 -3.174 1.00 0.00 C ATOM 1305 O LEU A 85 2.310 13.826 -3.691 1.00 0.00 O ATOM 1306 CB LEU A 85 2.548 11.627 -5.538 1.00 0.00 C ATOM 1307 CG LEU A 85 1.206 10.952 -5.919 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.387 9.525 -6.313 1.00 0.00 C ATOM 1309 CD2 LEU A 85 0.190 11.097 -4.828 1.00 0.00 C ATOM 0 H LEU A 85 2.880 9.394 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 85 4.234 11.655 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.437 12.691 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.301 11.244 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 85 0.825 11.476 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.420 9.093 -6.571 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.052 9.467 -7.175 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.821 8.970 -5.481 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.739 10.612 -5.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.565 10.630 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.004 12.155 -4.643 1.00 0.00 H new ATOM 1321 N ASN A 86 2.479 12.547 -1.873 1.00 0.00 N ATOM 1322 CA ASN A 86 2.231 13.553 -0.828 1.00 0.00 C ATOM 1323 C ASN A 86 3.465 13.532 0.149 1.00 0.00 C ATOM 1324 O ASN A 86 3.904 14.573 0.642 1.00 0.00 O ATOM 1325 CB ASN A 86 0.926 13.238 -0.055 1.00 0.00 C ATOM 1326 CG ASN A 86 0.546 14.292 1.008 1.00 0.00 C ATOM 1327 OD1 ASN A 86 1.385 14.899 1.658 1.00 0.00 O ATOM 1328 ND2 ASN A 86 -0.720 14.529 1.158 1.00 0.00 N ATOM 0 H ASN A 86 2.554 11.608 -1.481 1.00 0.00 H new ATOM 0 HA ASN A 86 2.110 14.539 -1.277 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.107 13.148 -0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.032 12.269 0.433 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.031 15.233 1.828 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.405 14.012 0.606 1.00 0.00 H new ATOM 1335 N ILE A 87 4.063 12.321 0.377 1.00 0.00 N ATOM 1336 CA ILE A 87 5.349 12.238 1.107 1.00 0.00 C ATOM 1337 C ILE A 87 6.380 12.708 0.123 1.00 0.00 C ATOM 1338 O ILE A 87 7.376 13.339 0.460 1.00 0.00 O ATOM 1339 CB ILE A 87 5.729 10.764 1.694 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.844 10.848 3.224 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.083 10.207 1.129 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.565 11.235 3.936 1.00 0.00 C ATOM 0 H ILE A 87 3.683 11.424 0.074 1.00 0.00 H new ATOM 0 HA ILE A 87 5.290 12.848 2.008 1.00 0.00 H new ATOM 0 HB ILE A 87 4.935 10.085 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 87 6.176 9.882 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.618 11.573 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.279 9.224 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.018 10.123 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.894 10.886 1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.743 11.269 5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.239 12.216 3.591 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.791 10.499 3.719 1.00 0.00 H new ATOM 1354 N LYS A 88 6.080 12.448 -1.129 1.00 0.00 N ATOM 1355 CA LYS A 88 6.886 12.894 -2.183 1.00 0.00 C ATOM 1356 C LYS A 88 6.338 14.183 -2.667 1.00 0.00 C ATOM 1357 O LYS A 88 5.578 14.200 -3.606 1.00 0.00 O ATOM 1358 CB LYS A 88 6.878 11.949 -3.348 1.00 0.00 C ATOM 1359 CG LYS A 88 7.010 10.511 -2.992 1.00 0.00 C ATOM 1360 CD LYS A 88 7.880 9.816 -3.993 1.00 0.00 C ATOM 1361 CE LYS A 88 9.377 10.042 -3.722 1.00 0.00 C ATOM 1362 NZ LYS A 88 9.823 11.467 -3.703 1.00 0.00 N ATOM 0 H LYS A 88 5.260 11.916 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 88 7.906 12.978 -1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.949 12.087 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.693 12.218 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.438 10.412 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.026 10.042 -2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.667 8.747 -3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.636 10.174 -4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.626 9.590 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.949 9.511 -4.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.862 11.505 -3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.461 11.955 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.457 11.934 -2.849 1.00 0.00 H new ATOM 1376 N GLN A 89 6.580 15.203 -1.948 1.00 0.00 N ATOM 1377 CA GLN A 89 6.255 16.509 -2.386 1.00 0.00 C ATOM 1378 C GLN A 89 7.460 17.351 -2.165 1.00 0.00 C ATOM 1379 O GLN A 89 7.681 17.826 -1.050 1.00 0.00 O ATOM 1380 CB GLN A 89 5.074 17.087 -1.612 1.00 0.00 C ATOM 1381 CG GLN A 89 3.713 16.604 -2.100 1.00 0.00 C ATOM 1382 CD GLN A 89 3.344 17.189 -3.450 1.00 0.00 C ATOM 1383 OE1 GLN A 89 3.663 16.637 -4.505 1.00 0.00 O ATOM 1384 NE2 GLN A 89 2.643 18.289 -3.430 1.00 0.00 N ATOM 0 H GLN A 89 7.015 15.162 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 89 5.965 16.485 -3.437 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.183 16.829 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 89 5.107 18.174 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.719 15.516 -2.167 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.951 16.874 -1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 89 2.396 18.720 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.342 18.718 -4.305 1.00 0.00 H new ATOM 1393 N LYS A 90 8.268 17.511 -3.178 1.00 0.00 N ATOM 1394 CA LYS A 90 9.478 18.244 -3.060 1.00 0.00 C ATOM 1395 C LYS A 90 10.005 18.415 -4.471 1.00 0.00 C ATOM 1396 O LYS A 90 10.667 17.483 -4.985 1.00 0.00 O ATOM 1397 CB LYS A 90 10.491 17.430 -2.226 1.00 0.00 C ATOM 1398 CG LYS A 90 11.624 18.218 -1.577 1.00 0.00 C ATOM 1399 CD LYS A 90 11.112 19.136 -0.473 1.00 0.00 C ATOM 1400 CE LYS A 90 10.245 18.389 0.559 1.00 0.00 C ATOM 1401 NZ LYS A 90 10.927 17.229 1.193 1.00 0.00 N ATOM 1402 OXT LYS A 90 9.709 19.429 -5.107 1.00 0.00 O ATOM 0 H LYS A 90 8.096 17.131 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 90 9.322 19.205 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.945 16.907 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.930 16.668 -2.870 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.358 17.526 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 90 12.136 18.811 -2.335 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.960 19.597 0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.529 19.943 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.940 19.089 1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.335 18.040 0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.283 16.778 1.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.194 16.541 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.781 17.557 1.688 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 12.573 -2.778 -10.448 1.00 0.00 N ATOM 1418 CA LEU B 1 11.266 -2.169 -10.238 1.00 0.00 C ATOM 1419 C LEU B 1 11.272 -1.394 -8.946 1.00 0.00 C ATOM 1420 O LEU B 1 11.509 -1.968 -7.889 1.00 0.00 O ATOM 1421 CB LEU B 1 10.161 -3.233 -10.168 1.00 0.00 C ATOM 1422 CG LEU B 1 9.860 -4.006 -11.446 1.00 0.00 C ATOM 1423 CD1 LEU B 1 8.839 -5.091 -11.162 1.00 0.00 C ATOM 1424 CD2 LEU B 1 9.336 -3.064 -12.525 1.00 0.00 C ATOM 0 H1 LEU B 1 12.568 -3.313 -11.340 1.00 0.00 H new ATOM 0 H2 LEU B 1 13.299 -2.035 -10.494 1.00 0.00 H new ATOM 0 H3 LEU B 1 12.787 -3.422 -9.660 1.00 0.00 H new ATOM 0 HA LEU B 1 11.065 -1.507 -11.080 1.00 0.00 H new ATOM 0 HB2 LEU B 1 10.432 -3.951 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU B 1 9.242 -2.745 -9.843 1.00 0.00 H new ATOM 0 HG LEU B 1 10.781 -4.466 -11.804 1.00 0.00 H new ATOM 0 HD11 LEU B 1 8.627 -5.641 -12.079 1.00 0.00 H new ATOM 0 HD12 LEU B 1 9.235 -5.776 -10.412 1.00 0.00 H new ATOM 0 HD13 LEU B 1 7.920 -4.638 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU B 1 9.126 -3.631 -13.432 1.00 0.00 H new ATOM 0 HD22 LEU B 1 8.421 -2.584 -12.176 1.00 0.00 H new ATOM 0 HD23 LEU B 1 10.086 -2.303 -12.739 1.00 0.00 H new ATOM 1438 N PRO B 2 10.944 -0.091 -8.983 1.00 0.00 N ATOM 1439 CA PRO B 2 10.935 0.752 -7.785 1.00 0.00 C ATOM 1440 C PRO B 2 9.652 0.570 -6.959 1.00 0.00 C ATOM 1441 O PRO B 2 9.322 1.378 -6.084 1.00 0.00 O ATOM 1442 CB PRO B 2 11.033 2.166 -8.354 1.00 0.00 C ATOM 1443 CG PRO B 2 10.403 2.095 -9.706 1.00 0.00 C ATOM 1444 CD PRO B 2 10.554 0.673 -10.196 1.00 0.00 C ATOM 0 HA PRO B 2 11.743 0.507 -7.095 1.00 0.00 H new ATOM 0 HB2 PRO B 2 10.515 2.883 -7.717 1.00 0.00 H new ATOM 0 HB3 PRO B 2 12.071 2.491 -8.421 1.00 0.00 H new ATOM 0 HG2 PRO B 2 9.351 2.375 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO B 2 10.885 2.791 -10.392 1.00 0.00 H new ATOM 0 HD2 PRO B 2 9.623 0.297 -10.621 1.00 0.00 H new ATOM 0 HD3 PRO B 2 11.313 0.599 -10.975 1.00 0.00 H new ATOM 1452 N SER B 3 8.962 -0.510 -7.242 1.00 0.00 N ATOM 1453 CA SER B 3 7.746 -0.852 -6.582 1.00 0.00 C ATOM 1454 C SER B 3 8.029 -1.308 -5.161 1.00 0.00 C ATOM 1455 O SER B 3 7.351 -0.872 -4.222 1.00 0.00 O ATOM 1456 CB SER B 3 7.012 -1.917 -7.383 1.00 0.00 C ATOM 1457 OG SER B 3 6.806 -1.465 -8.718 1.00 0.00 O ATOM 0 H SER B 3 9.245 -1.183 -7.954 1.00 0.00 H new ATOM 0 HA SER B 3 7.103 0.026 -6.520 1.00 0.00 H new ATOM 0 HB2 SER B 3 7.589 -2.842 -7.388 1.00 0.00 H new ATOM 0 HB3 SER B 3 6.054 -2.141 -6.914 1.00 0.00 H new ATOM 0 HG SER B 3 6.335 -2.156 -9.228 1.00 0.00 H new ATOM 1463 N GLN B 4 9.061 -2.120 -5.006 1.00 0.00 N ATOM 1464 CA GLN B 4 9.451 -2.612 -3.707 1.00 0.00 C ATOM 1465 C GLN B 4 10.555 -1.737 -3.180 1.00 0.00 C ATOM 1466 O GLN B 4 11.302 -1.116 -3.973 1.00 0.00 O ATOM 1467 CB GLN B 4 9.952 -4.064 -3.771 1.00 0.00 C ATOM 1468 CG GLN B 4 11.262 -4.262 -4.535 1.00 0.00 C ATOM 1469 CD GLN B 4 11.749 -5.692 -4.479 1.00 0.00 C ATOM 1470 OE1 GLN B 4 11.488 -6.409 -3.523 1.00 0.00 O ATOM 1471 NE2 GLN B 4 12.454 -6.111 -5.488 1.00 0.00 N ATOM 0 H GLN B 4 9.645 -2.451 -5.774 1.00 0.00 H new ATOM 0 HA GLN B 4 8.579 -2.588 -3.054 1.00 0.00 H new ATOM 0 HB2 GLN B 4 10.083 -4.433 -2.754 1.00 0.00 H new ATOM 0 HB3 GLN B 4 9.181 -4.678 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN B 4 11.121 -3.969 -5.575 1.00 0.00 H new ATOM 0 HG3 GLN B 4 12.025 -3.604 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.651 -5.484 -6.268 1.00 0.00 H new ATOM 0 HE22 GLN B 4 12.810 -7.067 -5.500 1.00 0.00 H new ATOM 1480 N ALA B 5 10.666 -1.664 -1.892 1.00 0.00 N ATOM 1481 CA ALA B 5 11.731 -0.883 -1.297 1.00 0.00 C ATOM 1482 C ALA B 5 12.275 -1.539 -0.030 1.00 0.00 C ATOM 1483 O ALA B 5 11.903 -2.667 0.302 1.00 0.00 O ATOM 1484 CB ALA B 5 11.256 0.527 -1.031 1.00 0.00 C ATOM 0 H ALA B 5 10.045 -2.126 -1.228 1.00 0.00 H new ATOM 0 HA ALA B 5 12.557 -0.840 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA B 5 12.065 1.105 -0.584 1.00 0.00 H new ATOM 0 HB2 ALA B 5 10.953 0.992 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.407 0.502 -0.348 1.00 0.00 H new ATOM 1490 N MET B 6 13.155 -0.824 0.657 1.00 0.00 N ATOM 1491 CA MET B 6 13.813 -1.309 1.869 1.00 0.00 C ATOM 1492 C MET B 6 12.836 -1.515 3.019 1.00 0.00 C ATOM 1493 O MET B 6 12.059 -0.618 3.378 1.00 0.00 O ATOM 1494 CB MET B 6 14.954 -0.376 2.277 1.00 0.00 C ATOM 1495 CG MET B 6 16.095 -0.355 1.272 1.00 0.00 C ATOM 1496 SD MET B 6 17.419 0.800 1.699 1.00 0.00 S ATOM 1497 CE MET B 6 16.564 2.370 1.580 1.00 0.00 C ATOM 0 H MET B 6 13.437 0.119 0.389 1.00 0.00 H new ATOM 0 HA MET B 6 14.232 -2.288 1.635 1.00 0.00 H new ATOM 0 HB2 MET B 6 14.564 0.635 2.396 1.00 0.00 H new ATOM 0 HB3 MET B 6 15.339 -0.686 3.249 1.00 0.00 H new ATOM 0 HG2 MET B 6 16.513 -1.358 1.189 1.00 0.00 H new ATOM 0 HG3 MET B 6 15.699 -0.093 0.291 1.00 0.00 H new ATOM 0 HE1 MET B 6 17.238 3.121 1.167 1.00 0.00 H new ATOM 0 HE2 MET B 6 15.697 2.264 0.928 1.00 0.00 H new ATOM 0 HE3 MET B 6 16.237 2.682 2.572 1.00 0.00 H new ATOM 1507 N ASP B 7 12.955 -2.665 3.649 1.00 0.00 N ATOM 1508 CA ASP B 7 12.029 -3.140 4.691 1.00 0.00 C ATOM 1509 C ASP B 7 12.274 -2.482 6.052 1.00 0.00 C ATOM 1510 O ASP B 7 11.681 -2.862 7.054 1.00 0.00 O ATOM 1511 CB ASP B 7 12.150 -4.662 4.839 1.00 0.00 C ATOM 1512 CG ASP B 7 13.461 -5.101 5.463 1.00 0.00 C ATOM 1513 OD1 ASP B 7 14.532 -4.787 4.911 1.00 0.00 O ATOM 1514 OD2 ASP B 7 13.441 -5.799 6.490 1.00 0.00 O ATOM 0 H ASP B 7 13.712 -3.321 3.456 1.00 0.00 H new ATOM 0 HA ASP B 7 11.025 -2.862 4.370 1.00 0.00 H new ATOM 0 HB2 ASP B 7 11.324 -5.028 5.450 1.00 0.00 H new ATOM 0 HB3 ASP B 7 12.050 -5.125 3.857 1.00 0.00 H new ATOM 1519 N ASP B 8 13.104 -1.501 6.090 1.00 0.00 N ATOM 1520 CA ASP B 8 13.391 -0.824 7.352 1.00 0.00 C ATOM 1521 C ASP B 8 12.508 0.371 7.505 1.00 0.00 C ATOM 1522 O ASP B 8 12.252 0.858 8.599 1.00 0.00 O ATOM 1523 CB ASP B 8 14.863 -0.415 7.478 1.00 0.00 C ATOM 1524 CG ASP B 8 15.801 -1.589 7.563 1.00 0.00 C ATOM 1525 OD1 ASP B 8 15.772 -2.319 8.584 1.00 0.00 O ATOM 1526 OD2 ASP B 8 16.607 -1.787 6.624 1.00 0.00 O ATOM 0 H ASP B 8 13.605 -1.134 5.280 1.00 0.00 H new ATOM 0 HA ASP B 8 13.188 -1.535 8.153 1.00 0.00 H new ATOM 0 HB2 ASP B 8 15.137 0.199 6.620 1.00 0.00 H new ATOM 0 HB3 ASP B 8 14.986 0.205 8.366 1.00 0.00 H new ATOM 1531 N LEU B 9 11.972 0.790 6.402 1.00 0.00 N ATOM 1532 CA LEU B 9 11.212 2.026 6.320 1.00 0.00 C ATOM 1533 C LEU B 9 9.754 1.727 6.331 1.00 0.00 C ATOM 1534 O LEU B 9 8.929 2.548 5.947 1.00 0.00 O ATOM 1535 CB LEU B 9 11.597 2.747 5.029 1.00 0.00 C ATOM 1536 CG LEU B 9 13.097 2.902 4.807 1.00 0.00 C ATOM 1537 CD1 LEU B 9 13.396 3.806 3.627 1.00 0.00 C ATOM 1538 CD2 LEU B 9 13.758 3.383 6.081 1.00 0.00 C ATOM 0 H LEU B 9 12.043 0.288 5.517 1.00 0.00 H new ATOM 0 HA LEU B 9 11.436 2.662 7.177 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.173 2.203 4.185 1.00 0.00 H new ATOM 0 HB3 LEU B 9 11.140 3.737 5.032 1.00 0.00 H new ATOM 0 HG LEU B 9 13.517 1.928 4.556 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.475 3.893 3.499 1.00 0.00 H new ATOM 0 HD12 LEU B 9 12.957 3.383 2.724 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.971 4.793 3.808 1.00 0.00 H new ATOM 0 HD21 LEU B 9 14.830 3.492 5.916 1.00 0.00 H new ATOM 0 HD22 LEU B 9 13.336 4.346 6.369 1.00 0.00 H new ATOM 0 HD23 LEU B 9 13.585 2.658 6.877 1.00 0.00 H new ATOM 1550 N MET B 10 9.442 0.590 6.843 1.00 0.00 N ATOM 1551 CA MET B 10 8.088 0.087 6.765 1.00 0.00 C ATOM 1552 C MET B 10 7.580 -0.503 8.076 1.00 0.00 C ATOM 1553 O MET B 10 8.367 -0.990 8.902 1.00 0.00 O ATOM 1554 CB MET B 10 8.000 -0.953 5.615 1.00 0.00 C ATOM 1555 CG MET B 10 8.792 -2.266 5.800 1.00 0.00 C ATOM 1556 SD MET B 10 8.076 -3.441 6.982 1.00 0.00 S ATOM 1557 CE MET B 10 9.190 -4.821 6.854 1.00 0.00 C ATOM 0 H MET B 10 10.099 -0.023 7.326 1.00 0.00 H new ATOM 0 HA MET B 10 7.435 0.935 6.558 1.00 0.00 H new ATOM 0 HB2 MET B 10 6.951 -1.208 5.467 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.344 -0.475 4.698 1.00 0.00 H new ATOM 0 HG2 MET B 10 8.880 -2.758 4.831 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.803 -2.019 6.125 1.00 0.00 H new ATOM 0 HE1 MET B 10 8.742 -5.695 7.326 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.384 -5.036 5.803 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.128 -4.579 7.354 1.00 0.00 H new ATOM 1567 N LEU B 11 6.287 -0.346 8.294 1.00 0.00 N ATOM 1568 CA LEU B 11 5.553 -1.079 9.335 1.00 0.00 C ATOM 1569 C LEU B 11 5.157 -2.443 8.783 1.00 0.00 C ATOM 1570 O LEU B 11 5.292 -2.665 7.588 1.00 0.00 O ATOM 1571 CB LEU B 11 4.298 -0.324 9.813 1.00 0.00 C ATOM 1572 CG LEU B 11 4.476 0.766 10.880 1.00 0.00 C ATOM 1573 CD1 LEU B 11 4.941 0.122 12.136 1.00 0.00 C ATOM 1574 CD2 LEU B 11 5.465 1.842 10.456 1.00 0.00 C ATOM 0 H LEU B 11 5.704 0.295 7.756 1.00 0.00 H new ATOM 0 HA LEU B 11 6.207 -1.186 10.200 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.832 0.135 8.941 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.593 -1.059 10.201 1.00 0.00 H new ATOM 0 HG LEU B 11 3.516 1.260 11.025 1.00 0.00 H new ATOM 0 HD11 LEU B 11 5.073 0.881 12.907 1.00 0.00 H new ATOM 0 HD12 LEU B 11 4.201 -0.606 12.467 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.891 -0.382 11.956 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.553 2.587 11.247 1.00 0.00 H new ATOM 0 HD22 LEU B 11 6.440 1.389 10.274 1.00 0.00 H new ATOM 0 HD23 LEU B 11 5.112 2.322 9.543 1.00 0.00 H new ATOM 1586 N SER B 12 4.608 -3.312 9.635 1.00 0.00 N ATOM 1587 CA SER B 12 4.344 -4.702 9.274 1.00 0.00 C ATOM 1588 C SER B 12 3.472 -4.820 8.021 1.00 0.00 C ATOM 1589 O SER B 12 2.364 -4.276 7.965 1.00 0.00 O ATOM 1590 CB SER B 12 3.655 -5.413 10.409 1.00 0.00 C ATOM 1591 OG SER B 12 4.228 -5.023 11.664 1.00 0.00 O ATOM 0 H SER B 12 4.336 -3.072 10.588 1.00 0.00 H new ATOM 0 HA SER B 12 5.310 -5.162 9.066 1.00 0.00 H new ATOM 0 HB2 SER B 12 2.590 -5.180 10.400 1.00 0.00 H new ATOM 0 HB3 SER B 12 3.746 -6.491 10.280 1.00 0.00 H new ATOM 0 HG SER B 12 3.770 -5.491 12.393 1.00 0.00 H new ATOM 1597 N PRO B 13 3.961 -5.563 7.018 1.00 0.00 N ATOM 1598 CA PRO B 13 3.254 -5.776 5.747 1.00 0.00 C ATOM 1599 C PRO B 13 1.940 -6.474 5.920 1.00 0.00 C ATOM 1600 O PRO B 13 1.031 -6.328 5.088 1.00 0.00 O ATOM 1601 CB PRO B 13 4.179 -6.714 4.973 1.00 0.00 C ATOM 1602 CG PRO B 13 5.521 -6.552 5.581 1.00 0.00 C ATOM 1603 CD PRO B 13 5.290 -6.215 7.017 1.00 0.00 C ATOM 0 HA PRO B 13 3.041 -4.822 5.264 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.839 -7.747 5.047 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.197 -6.459 3.913 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.105 -7.467 5.485 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.082 -5.762 5.081 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.298 -7.107 7.643 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.063 -5.549 7.401 1.00 0.00 H new ATOM 1611 N ASP B 14 1.843 -7.149 7.038 1.00 0.00 N ATOM 1612 CA ASP B 14 0.780 -8.099 7.346 1.00 0.00 C ATOM 1613 C ASP B 14 -0.592 -7.551 7.051 1.00 0.00 C ATOM 1614 O ASP B 14 -1.409 -8.209 6.401 1.00 0.00 O ATOM 1615 CB ASP B 14 0.858 -8.539 8.805 1.00 0.00 C ATOM 1616 CG ASP B 14 -0.062 -9.695 9.102 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.363 -10.865 8.935 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -1.214 -9.480 9.504 1.00 0.00 O ATOM 0 H ASP B 14 2.523 -7.055 7.793 1.00 0.00 H new ATOM 0 HA ASP B 14 0.935 -8.960 6.696 1.00 0.00 H new ATOM 0 HB2 ASP B 14 1.883 -8.823 9.043 1.00 0.00 H new ATOM 0 HB3 ASP B 14 0.602 -7.699 9.450 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.942 -6.344 7.508 1.00 0.00 N ATOM 1624 CA ASP B 15 -2.286 -5.909 7.281 1.00 0.00 C ATOM 1625 C ASP B 15 -2.541 -5.180 5.968 1.00 0.00 C ATOM 1626 O ASP B 15 -3.678 -5.179 5.532 1.00 0.00 O ATOM 1627 CB ASP B 15 -2.990 -5.364 8.548 1.00 0.00 C ATOM 1628 CG ASP B 15 -2.100 -4.642 9.528 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -1.050 -5.226 9.921 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.474 -3.512 9.940 1.00 0.00 O ATOM 0 H ASP B 15 -0.336 -5.695 8.009 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.839 -6.827 7.081 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -3.784 -4.685 8.237 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -3.467 -6.197 9.064 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.595 -4.632 5.151 1.00 0.00 N ATOM 1636 CA ILE B 16 -2.004 -4.100 3.867 1.00 0.00 C ATOM 1637 C ILE B 16 -2.163 -5.231 2.892 1.00 0.00 C ATOM 1638 O ILE B 16 -2.929 -5.205 1.960 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.100 -2.962 3.384 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.329 -3.031 3.977 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.755 -1.671 3.763 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.397 -2.476 5.358 1.00 0.00 C ATOM 0 H ILE B 16 -0.600 -4.559 5.364 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.978 -3.621 3.967 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.981 -3.047 2.304 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.666 -4.068 3.988 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.014 -2.480 3.333 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.135 -0.838 3.432 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.734 -1.606 3.287 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.874 -1.628 4.846 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.419 -2.547 5.729 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.088 -1.431 5.346 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.266 -3.043 6.011 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.421 -6.199 3.193 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.547 -7.575 2.692 1.00 0.00 C ATOM 1656 C GLU B 17 -2.961 -8.101 2.869 1.00 0.00 C ATOM 1657 O GLU B 17 -3.529 -8.675 1.931 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.582 -8.522 3.402 1.00 0.00 C ATOM 1659 CG GLU B 17 0.740 -8.734 2.717 1.00 0.00 C ATOM 1660 CD GLU B 17 0.854 -10.139 2.162 1.00 0.00 C ATOM 1661 OE1 GLU B 17 0.213 -10.454 1.169 1.00 0.00 O ATOM 1662 OE2 GLU B 17 1.584 -10.972 2.746 1.00 0.00 O ATOM 0 H GLU B 17 -0.639 -6.093 3.839 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.302 -7.540 1.631 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.394 -8.137 4.404 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -1.070 -9.490 3.519 1.00 0.00 H new ATOM 0 HG2 GLU B 17 0.853 -8.011 1.909 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.551 -8.553 3.423 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.547 -7.903 4.035 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.907 -8.346 4.224 1.00 0.00 C ATOM 1671 C GLN B 18 -5.840 -7.376 3.559 1.00 0.00 C ATOM 1672 O GLN B 18 -6.934 -7.763 3.070 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.281 -8.630 5.683 1.00 0.00 C ATOM 1674 CG GLN B 18 -5.617 -7.448 6.489 1.00 0.00 C ATOM 1675 CD GLN B 18 -5.945 -7.808 7.920 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -5.081 -7.826 8.786 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -7.178 -8.137 8.178 1.00 0.00 N ATOM 0 H GLN B 18 -3.115 -7.452 4.841 1.00 0.00 H new ATOM 0 HA GLN B 18 -5.005 -9.320 3.745 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -6.132 -9.312 5.696 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -4.449 -9.149 6.159 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -4.780 -6.750 6.474 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -6.468 -6.935 6.041 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -7.878 -8.113 7.437 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -7.444 -8.419 9.122 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.366 -6.122 3.411 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.135 -5.144 2.779 1.00 0.00 C ATOM 1688 C TRP B 19 -6.029 -5.238 1.305 1.00 0.00 C ATOM 1689 O TRP B 19 -6.503 -4.398 0.622 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.907 -3.746 3.334 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.247 -3.721 4.777 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.331 -4.294 5.350 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.520 -3.111 5.825 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -7.283 -4.160 6.684 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -6.193 -3.409 7.011 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.357 -2.363 5.881 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.739 -2.987 8.235 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.905 -1.939 7.098 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.598 -2.253 8.264 1.00 0.00 C ATOM 0 H TRP B 19 -4.451 -5.808 3.735 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.178 -5.353 3.019 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.867 -3.452 3.190 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.520 -3.025 2.793 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -8.124 -4.790 4.809 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -7.952 -4.555 7.345 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.816 -2.119 4.978 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -6.271 -3.230 9.143 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -2.999 -1.353 7.157 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -4.219 -1.904 9.213 1.00 0.00 H new ATOM 1710 N PHE B 20 -5.336 -6.225 0.797 1.00 0.00 N ATOM 1711 CA PHE B 20 -5.595 -6.586 -0.441 1.00 0.00 C ATOM 1712 C PHE B 20 -6.289 -7.891 -0.401 1.00 0.00 C ATOM 1713 O PHE B 20 -7.434 -7.985 -0.819 1.00 0.00 O ATOM 1714 CB PHE B 20 -4.423 -6.549 -1.371 1.00 0.00 C ATOM 1715 CG PHE B 20 -3.282 -7.482 -1.255 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -2.201 -7.173 -0.486 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -3.259 -8.639 -2.014 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.112 -8.017 -0.462 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -2.180 -9.470 -2.003 1.00 0.00 C ATOM 1720 CZ PHE B 20 -1.104 -9.158 -1.228 1.00 0.00 C ATOM 0 H PHE B 20 -4.603 -6.749 1.275 1.00 0.00 H new ATOM 0 HA PHE B 20 -6.250 -5.837 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -4.822 -6.669 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -4.009 -5.543 -1.310 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.197 -6.268 0.104 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -4.113 -8.888 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.262 -7.781 0.161 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -2.177 -10.368 -2.603 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.242 -9.809 -1.216 1.00 0.00 H new ATOM 1730 N THR B 21 -5.697 -8.882 0.193 1.00 0.00 N ATOM 1731 CA THR B 21 -6.245 -10.072 0.170 1.00 0.00 C ATOM 1732 C THR B 21 -6.433 -10.632 1.576 1.00 0.00 C ATOM 1733 O THR B 21 -5.520 -11.100 2.253 1.00 0.00 O ATOM 1734 CB THR B 21 -5.426 -10.971 -0.772 1.00 0.00 C ATOM 1735 OG1 THR B 21 -5.805 -10.752 -2.141 1.00 0.00 O ATOM 1736 CG2 THR B 21 -5.520 -12.392 -0.403 1.00 0.00 C ATOM 0 H THR B 21 -4.811 -8.818 0.695 1.00 0.00 H new ATOM 0 HA THR B 21 -7.257 -10.019 -0.230 1.00 0.00 H new ATOM 0 HB THR B 21 -4.378 -10.692 -0.663 1.00 0.00 H new ATOM 0 HG1 THR B 21 -6.197 -9.859 -2.233 1.00 0.00 H new ATOM 0 HG21 THR B 21 -4.926 -12.988 -1.096 1.00 0.00 H new ATOM 0 HG22 THR B 21 -5.143 -12.531 0.610 1.00 0.00 H new ATOM 0 HG23 THR B 21 -6.561 -12.712 -0.450 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.578 -10.369 2.026 1.00 0.00 N ATOM 1745 CA GLU B 22 -8.241 -11.130 2.976 1.00 0.00 C ATOM 1746 C GLU B 22 -9.546 -11.267 2.215 1.00 0.00 C ATOM 1747 O GLU B 22 -9.798 -10.354 1.387 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.399 -10.400 4.329 1.00 0.00 C ATOM 1749 CG GLU B 22 -9.658 -9.562 4.498 1.00 0.00 C ATOM 1750 CD GLU B 22 -9.447 -8.280 5.272 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -9.259 -8.309 6.502 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -9.522 -7.214 4.651 1.00 0.00 O ATOM 0 H GLU B 22 -8.115 -9.558 1.718 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.759 -12.057 3.286 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.374 -11.144 5.125 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -7.534 -9.752 4.471 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -10.054 -9.318 3.512 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -10.414 -10.160 5.006 1.00 0.00 H new ATOM 1759 N ASP B 23 -10.345 -12.292 2.443 1.00 0.00 N ATOM 1760 CA ASP B 23 -11.521 -12.596 1.543 1.00 0.00 C ATOM 1761 C ASP B 23 -12.353 -11.362 1.224 1.00 0.00 C ATOM 1762 O ASP B 23 -13.052 -10.834 2.096 1.00 0.00 O ATOM 1763 CB ASP B 23 -12.427 -13.687 2.108 1.00 0.00 C ATOM 1764 CG ASP B 23 -13.570 -14.010 1.162 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -13.309 -14.566 0.065 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -14.738 -13.729 1.485 1.00 0.00 O ATOM 0 H ASP B 23 -10.233 -12.940 3.223 1.00 0.00 H new ATOM 0 HA ASP B 23 -11.077 -12.960 0.617 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -11.841 -14.588 2.293 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -12.829 -13.366 3.069 1.00 0.00 H new ATOM 1771 N PRO B 24 -12.238 -10.836 -0.014 1.00 0.00 N ATOM 1772 CA PRO B 24 -12.908 -9.634 -0.389 1.00 0.00 C ATOM 1773 C PRO B 24 -14.275 -9.876 -1.010 1.00 0.00 C ATOM 1774 O PRO B 24 -14.538 -10.904 -1.659 1.00 0.00 O ATOM 1775 CB PRO B 24 -11.944 -9.035 -1.390 1.00 0.00 C ATOM 1776 CG PRO B 24 -11.450 -10.214 -2.139 1.00 0.00 C ATOM 1777 CD PRO B 24 -11.408 -11.353 -1.145 1.00 0.00 C ATOM 0 HA PRO B 24 -13.128 -8.993 0.465 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -12.440 -8.320 -2.047 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -11.131 -8.503 -0.896 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -12.109 -10.450 -2.974 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -10.461 -10.024 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -11.821 -12.271 -1.564 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -10.389 -11.577 -0.830 1.00 0.00 H new ATOM 1785 N GLY B 25 -15.106 -8.933 -0.838 1.00 0.00 N ATOM 1786 CA GLY B 25 -16.438 -9.010 -1.292 1.00 0.00 C ATOM 1787 C GLY B 25 -17.252 -8.126 -0.437 1.00 0.00 C ATOM 1788 O GLY B 25 -16.721 -7.079 -0.011 1.00 0.00 O ATOM 1789 OXT GLY B 25 -18.373 -8.491 -0.085 1.00 0.00 O ATOM 0 H GLY B 25 -14.878 -8.059 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -16.505 -8.702 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -16.802 -10.036 -1.239 1.00 0.00 H new TER 1793 GLY B 25