USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 943 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 9 HIS HD1 : A 9 HIS ND1 : A 338 ZNZN :(H bumps) USER MOD NoAdj-H: A 73 HIS HD1 : A 73 HIS ND1 : A 336 ZNZN :(H bumps) USER MOD NoAdj-H: A 77 HIS HE2 : A 77 HIS NE2 : A 337 ZNZN :(H bumps) USER MOD NoAdj-H: A 86 HIS HD1 : A 86 HIS ND1 : A 337 ZNZN :(H bumps) USER MOD Set 1.1: A 91 SER OG : rot -139:sc= 0.769 USER MOD Set 1.2: A 94 ASN : amide:sc= 0 X(o=0.73,f=0.73) USER MOD Set 1.3: A 96 SER OG : rot 180:sc= -0.0382 USER MOD Set 2.1: A 53 SER OG : rot -160:sc= 0.317 USER MOD Set 2.2: A 68 ASN : amide:sc= 0 K(o=0.32,f=-0.29) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.4) USER MOD Single : A 18 ASN : amide:sc= -2.54! C(o=-2.5!,f=-3.8!) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0756) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.00791 X(o=0.0079,f=0) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.112 F(o=-1.5!,f=-0.11) USER MOD Single : A 32 GLN : amide:sc= 0.974 K(o=0.97,f=-2.2!) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 1.2 (180deg=1.1) USER MOD Single : A 36 THR OG1 : rot -92:sc= 0.219 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 39 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0135) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0682 (180deg=-0.369) USER MOD Single : A 43 LYS NZ :NH3+ -130:sc= 0.96 (180deg=-0.124) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 173:sc= 1.3 (180deg=1.17) USER MOD Single : A 59 LYS NZ :NH3+ -124:sc= 1.1 (180deg=0.0925) USER MOD Single : A 62 HIS : no HE2:sc= -0.358 K(o=-0.36,f=-1.2) USER MOD Single : A 63 GLN : amide:sc= -1.82! C(o=-1.8!,f=-5.5!) USER MOD Single : A 69 SER OG : rot -83:sc= 2.01 USER MOD Single : A 70 GLN : amide:sc= 0.236 X(o=0.24,f=-0.074) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.493 F(o=-2.1!,f=-0.49) USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 0.104 (180deg=0.0594) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 29:sc= 0.758 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 11:sc= -0.659 USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -6.69! C(o=-7.5!,f=-6.7!) USER MOD Single : A 107 GLN : amide:sc= -0.666 K(o=-0.67,f=-1.7!) USER MOD Single : A 108 TYR OH : rot -121:sc= 0.125 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.561 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.34 K(o=0.34,f=-11!) USER MOD Single : A 113 GLN :FLIP amide:sc= -1.41 F(o=-5.3!,f=-1.4) USER MOD Single : A 116 GLN : amide:sc= -0.698 K(o=-0.7,f=-1.7) USER MOD Single : A 120 TYR OH : rot -15:sc= -3.11! USER MOD Single : A 123 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.526) USER MOD Single : A 124 GLN : amide:sc= 0.481 K(o=0.48,f=-0.73) USER MOD Single : A 126 SER OG : rot 40:sc= 0.0612 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 5 10.613 -21.873 -1.428 1.00 0.00 N ATOM 2 CA PRO A 5 10.171 -20.807 -0.530 1.00 0.00 C ATOM 3 C PRO A 5 8.694 -20.590 -0.694 1.00 0.00 C ATOM 4 O PRO A 5 7.970 -20.506 0.290 1.00 0.00 O ATOM 5 CB PRO A 5 10.986 -19.583 -0.957 1.00 0.00 C ATOM 6 CG PRO A 5 11.583 -19.950 -2.284 1.00 0.00 C ATOM 7 CD PRO A 5 11.716 -21.434 -2.296 1.00 0.00 C ATOM 0 HA PRO A 5 10.328 -21.033 0.525 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.354 -18.699 -1.041 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.762 -19.352 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.947 -19.612 -3.102 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.554 -19.473 -2.417 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.622 -21.839 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.684 -21.755 -1.912 1.00 0.00 H new ATOM 15 N VAL A 6 8.291 -20.531 -1.961 1.00 0.00 N ATOM 16 CA VAL A 6 6.920 -20.553 -2.447 1.00 0.00 C ATOM 17 C VAL A 6 5.986 -19.443 -1.895 1.00 0.00 C ATOM 18 O VAL A 6 6.037 -19.035 -0.725 1.00 0.00 O ATOM 19 CB VAL A 6 6.283 -21.984 -2.295 1.00 0.00 C ATOM 20 CG1 VAL A 6 5.828 -22.333 -0.882 1.00 0.00 C ATOM 21 CG2 VAL A 6 5.195 -22.195 -3.277 1.00 0.00 C ATOM 0 H VAL A 6 8.963 -20.462 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 6 7.006 -20.312 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 6 7.095 -22.679 -2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.403 -23.337 -0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.682 -22.295 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.074 -21.617 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.775 -23.192 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.415 -21.450 -3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.593 -22.098 -4.287 1.00 0.00 H new ATOM 31 N CYS A 7 5.112 -18.949 -2.727 1.00 0.00 N ATOM 32 CA CYS A 7 4.207 -18.011 -2.238 1.00 0.00 C ATOM 33 C CYS A 7 2.852 -18.658 -2.115 1.00 0.00 C ATOM 34 O CYS A 7 2.085 -18.751 -3.063 1.00 0.00 O ATOM 35 CB CYS A 7 4.156 -16.707 -3.008 1.00 0.00 C ATOM 36 SG CYS A 7 3.521 -15.349 -1.989 1.00 0.00 S ATOM 0 H CYS A 7 5.026 -19.186 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 7 4.565 -17.704 -1.255 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.155 -16.457 -3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.523 -16.828 -3.887 1.00 0.00 H new ATOM 41 N ARG A 8 2.597 -19.137 -0.950 1.00 0.00 N ATOM 42 CA ARG A 8 1.336 -19.738 -0.605 1.00 0.00 C ATOM 43 C ARG A 8 0.650 -18.829 0.335 1.00 0.00 C ATOM 44 O ARG A 8 -0.253 -19.194 1.066 1.00 0.00 O ATOM 45 CB ARG A 8 1.575 -21.089 0.041 1.00 0.00 C ATOM 46 CG ARG A 8 1.914 -22.159 -0.960 1.00 0.00 C ATOM 47 CD ARG A 8 0.720 -22.426 -1.849 1.00 0.00 C ATOM 48 NE ARG A 8 0.929 -23.548 -2.762 1.00 0.00 N ATOM 49 CZ ARG A 8 0.022 -23.984 -3.645 1.00 0.00 C ATOM 50 NH1 ARG A 8 -1.126 -23.331 -3.798 1.00 0.00 N ATOM 51 NH2 ARG A 8 0.275 -25.059 -4.370 1.00 0.00 N ATOM 0 H ARG A 8 3.269 -19.127 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 8 0.722 -19.892 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.386 -21.003 0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 8 0.684 -21.385 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 8 2.766 -21.848 -1.564 1.00 0.00 H new ATOM 0 HG3 ARG A 8 2.206 -23.073 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.152 -22.628 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.497 -21.530 -2.428 1.00 0.00 H new ATOM 0 HE ARG A 8 1.826 -24.031 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.316 -22.497 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.816 -23.664 -4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.159 -25.554 -4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.414 -25.394 -5.044 1.00 0.00 H new ATOM 65 N HIS A 9 1.025 -17.592 0.237 1.00 0.00 N ATOM 66 CA HIS A 9 0.609 -16.591 1.172 1.00 0.00 C ATOM 67 C HIS A 9 -0.326 -15.695 0.453 1.00 0.00 C ATOM 68 O HIS A 9 -0.600 -14.606 0.896 1.00 0.00 O ATOM 69 CB HIS A 9 1.826 -15.761 1.620 1.00 0.00 C ATOM 70 CG HIS A 9 3.008 -16.578 2.020 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.227 -16.444 1.385 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.099 -17.525 2.969 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.017 -17.332 1.977 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.373 -18.001 2.935 1.00 0.00 N ATOM 0 H HIS A 9 1.635 -17.244 -0.502 1.00 0.00 H new ATOM 0 HA HIS A 9 0.145 -17.049 2.046 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.117 -15.095 0.808 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.533 -15.131 2.460 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.310 -17.847 3.633 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.052 -17.493 1.715 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.763 -18.732 3.530 1.00 0.00 H new ATOM 82 N ILE A 10 -0.819 -16.178 -0.668 1.00 0.00 N ATOM 83 CA ILE A 10 -1.640 -15.384 -1.530 1.00 0.00 C ATOM 84 C ILE A 10 -2.947 -15.139 -0.826 1.00 0.00 C ATOM 85 O ILE A 10 -3.382 -14.049 -0.671 1.00 0.00 O ATOM 86 CB ILE A 10 -1.916 -16.111 -2.876 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.604 -16.606 -3.538 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.690 -15.207 -3.822 1.00 0.00 C ATOM 89 CD1 ILE A 10 0.401 -15.530 -3.844 1.00 0.00 C ATOM 0 H ILE A 10 -0.657 -17.129 -0.998 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.126 -14.449 -1.752 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.524 -16.989 -2.659 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.138 -17.340 -2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.855 -17.122 -4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.874 -15.733 -4.759 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.642 -14.933 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.110 -14.306 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.283 -15.976 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.039 -14.805 -4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.689 -15.028 -2.920 1.00 0.00 H new ATOM 101 N ARG A 11 -3.512 -16.201 -0.341 1.00 0.00 N ATOM 102 CA ARG A 11 -4.793 -16.155 0.359 1.00 0.00 C ATOM 103 C ARG A 11 -4.649 -15.465 1.717 1.00 0.00 C ATOM 104 O ARG A 11 -5.587 -14.866 2.226 1.00 0.00 O ATOM 105 CB ARG A 11 -5.295 -17.558 0.552 1.00 0.00 C ATOM 106 CG ARG A 11 -5.474 -18.315 -0.748 1.00 0.00 C ATOM 107 CD ARG A 11 -5.785 -19.777 -0.512 1.00 0.00 C ATOM 108 NE ARG A 11 -5.819 -20.538 -1.767 1.00 0.00 N ATOM 109 CZ ARG A 11 -5.299 -21.775 -1.924 1.00 0.00 C ATOM 110 NH1 ARG A 11 -4.800 -22.430 -0.875 1.00 0.00 N ATOM 111 NH2 ARG A 11 -5.296 -22.358 -3.122 1.00 0.00 N ATOM 0 H ARG A 11 -3.110 -17.136 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.502 -15.582 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.597 -18.102 1.188 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.248 -17.526 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.280 -17.861 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.567 -18.229 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.034 -20.205 0.152 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.747 -19.867 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.265 -20.104 -2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.810 -21.997 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.408 -23.364 -0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.688 -21.870 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.902 -23.292 -3.234 1.00 0.00 H new ATOM 125 N LYS A 12 -3.465 -15.548 2.276 1.00 0.00 N ATOM 126 CA LYS A 12 -3.176 -15.000 3.578 1.00 0.00 C ATOM 127 C LYS A 12 -2.889 -13.506 3.496 1.00 0.00 C ATOM 128 O LYS A 12 -3.197 -12.740 4.403 1.00 0.00 O ATOM 129 CB LYS A 12 -1.966 -15.711 4.123 1.00 0.00 C ATOM 130 CG LYS A 12 -2.116 -17.217 4.094 1.00 0.00 C ATOM 131 CD LYS A 12 -0.893 -17.902 4.610 1.00 0.00 C ATOM 132 CE LYS A 12 -0.691 -17.637 6.082 1.00 0.00 C ATOM 133 NZ LYS A 12 0.528 -18.282 6.603 1.00 0.00 N ATOM 0 H LYS A 12 -2.667 -16.003 1.834 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.040 -15.140 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.089 -15.425 3.543 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.789 -15.386 5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.978 -17.509 4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.313 -17.544 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.977 -18.975 4.441 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.020 -17.559 4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.631 -16.562 6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.557 -17.999 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.625 -18.073 7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.462 -19.311 6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.358 -17.918 6.093 1.00 0.00 H new ATOM 147 N GLY A 13 -2.324 -13.118 2.395 1.00 0.00 N ATOM 148 CA GLY A 13 -1.885 -11.763 2.186 1.00 0.00 C ATOM 149 C GLY A 13 -2.810 -10.987 1.334 1.00 0.00 C ATOM 150 O GLY A 13 -2.624 -9.808 1.153 1.00 0.00 O ATOM 0 H GLY A 13 -2.150 -13.737 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.783 -11.266 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.897 -11.773 1.727 1.00 0.00 H new ATOM 154 N LEU A 14 -3.775 -11.647 0.789 1.00 0.00 N ATOM 155 CA LEU A 14 -4.723 -11.033 -0.066 1.00 0.00 C ATOM 156 C LEU A 14 -6.103 -11.498 0.355 1.00 0.00 C ATOM 157 O LEU A 14 -6.358 -12.711 0.442 1.00 0.00 O ATOM 158 CB LEU A 14 -4.368 -11.457 -1.490 1.00 0.00 C ATOM 159 CG LEU A 14 -5.022 -10.786 -2.670 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.286 -11.198 -3.903 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.472 -11.159 -2.820 1.00 0.00 C ATOM 0 H LEU A 14 -3.927 -12.646 0.930 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.714 -9.944 -0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.291 -11.333 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.576 -12.524 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.981 -9.708 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.741 -10.725 -4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.244 -10.889 -3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.336 -12.281 -4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.892 -10.647 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.558 -12.237 -2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.018 -10.864 -1.924 1.00 0.00 H new ATOM 173 N GLU A 15 -6.982 -10.570 0.628 1.00 0.00 N ATOM 174 CA GLU A 15 -8.318 -10.929 1.023 1.00 0.00 C ATOM 175 C GLU A 15 -9.275 -10.178 0.112 1.00 0.00 C ATOM 176 O GLU A 15 -9.602 -9.039 0.376 1.00 0.00 O ATOM 177 CB GLU A 15 -8.565 -10.603 2.489 1.00 0.00 C ATOM 178 CG GLU A 15 -9.660 -11.410 3.128 1.00 0.00 C ATOM 179 CD GLU A 15 -11.013 -11.202 2.493 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.637 -10.168 2.740 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.453 -12.068 1.704 1.00 0.00 O ATOM 0 H GLU A 15 -6.799 -9.567 0.585 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.471 -12.004 0.923 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.641 -10.762 3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.811 -9.545 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.401 -12.467 3.072 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.721 -11.152 4.185 1.00 0.00 H new ATOM 188 N GLN A 16 -9.716 -10.829 -0.940 1.00 0.00 N ATOM 189 CA GLN A 16 -10.513 -10.185 -1.991 1.00 0.00 C ATOM 190 C GLN A 16 -11.743 -9.458 -1.442 1.00 0.00 C ATOM 191 O GLN A 16 -12.061 -8.369 -1.885 1.00 0.00 O ATOM 192 CB GLN A 16 -11.001 -11.204 -3.012 1.00 0.00 C ATOM 193 CG GLN A 16 -9.959 -12.205 -3.477 1.00 0.00 C ATOM 194 CD GLN A 16 -10.482 -13.135 -4.558 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.098 -14.302 -4.622 1.00 0.00 O ATOM 196 NE2 GLN A 16 -11.303 -12.629 -5.439 1.00 0.00 N ATOM 0 H GLN A 16 -9.539 -11.820 -1.103 1.00 0.00 H new ATOM 0 HA GLN A 16 -9.846 -9.458 -2.455 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.840 -11.751 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.381 -10.669 -3.882 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.089 -11.668 -3.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.624 -12.797 -2.625 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.603 -11.657 -5.358 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.644 -13.206 -6.208 1.00 0.00 H new ATOM 205 N GLY A 17 -12.380 -10.053 -0.444 1.00 0.00 N ATOM 206 CA GLY A 17 -13.627 -9.545 0.084 1.00 0.00 C ATOM 207 C GLY A 17 -13.540 -8.151 0.642 1.00 0.00 C ATOM 208 O GLY A 17 -14.294 -7.252 0.222 1.00 0.00 O ATOM 0 H GLY A 17 -12.044 -10.898 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.377 -9.561 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -13.977 -10.217 0.868 1.00 0.00 H new ATOM 212 N ASN A 18 -12.613 -7.930 1.545 1.00 0.00 N ATOM 213 CA ASN A 18 -12.497 -6.624 2.174 1.00 0.00 C ATOM 214 C ASN A 18 -11.886 -5.596 1.215 1.00 0.00 C ATOM 215 O ASN A 18 -12.050 -4.385 1.405 1.00 0.00 O ATOM 216 CB ASN A 18 -11.745 -6.659 3.543 1.00 0.00 C ATOM 217 CG ASN A 18 -10.251 -6.730 3.495 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.569 -6.126 4.326 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.727 -7.494 2.644 1.00 0.00 N ATOM 0 H ASN A 18 -11.935 -8.623 1.861 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.514 -6.306 2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.024 -5.768 4.106 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.107 -7.519 4.107 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.716 -7.625 2.631 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.314 -7.982 1.967 1.00 0.00 H new ATOM 226 N LEU A 19 -11.232 -6.093 0.160 1.00 0.00 N ATOM 227 CA LEU A 19 -10.605 -5.250 -0.868 1.00 0.00 C ATOM 228 C LEU A 19 -11.617 -4.391 -1.550 1.00 0.00 C ATOM 229 O LEU A 19 -11.464 -3.183 -1.586 1.00 0.00 O ATOM 230 CB LEU A 19 -9.880 -6.100 -1.916 1.00 0.00 C ATOM 231 CG LEU A 19 -8.426 -6.511 -1.647 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.477 -5.547 -2.287 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.111 -6.563 -0.188 1.00 0.00 C ATOM 0 H LEU A 19 -11.121 -7.093 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.879 -4.615 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.460 -7.011 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.901 -5.553 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.310 -7.508 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.452 -5.857 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.645 -5.532 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.642 -4.549 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.071 -6.859 -0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.270 -5.579 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.762 -7.289 0.299 1.00 0.00 H new ATOM 245 N LYS A 20 -12.696 -5.000 -2.025 1.00 0.00 N ATOM 246 CA LYS A 20 -13.751 -4.268 -2.758 1.00 0.00 C ATOM 247 C LYS A 20 -14.298 -3.107 -1.930 1.00 0.00 C ATOM 248 O LYS A 20 -14.454 -1.992 -2.431 1.00 0.00 O ATOM 249 CB LYS A 20 -14.923 -5.182 -3.182 1.00 0.00 C ATOM 250 CG LYS A 20 -14.676 -6.125 -4.368 1.00 0.00 C ATOM 251 CD LYS A 20 -13.607 -7.163 -4.104 1.00 0.00 C ATOM 252 CE LYS A 20 -13.361 -8.071 -5.307 1.00 0.00 C ATOM 253 NZ LYS A 20 -14.559 -8.848 -5.701 1.00 0.00 N ATOM 0 H LYS A 20 -12.874 -5.999 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.275 -3.883 -3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.209 -5.787 -2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.776 -4.549 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.608 -6.631 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.390 -5.534 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.677 -6.662 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.900 -7.771 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.034 -7.465 -6.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.548 -8.759 -5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.298 -9.542 -6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.939 -9.345 -4.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.282 -8.203 -6.079 1.00 0.00 H new ATOM 267 N LYS A 21 -14.444 -3.340 -0.651 1.00 0.00 N ATOM 268 CA LYS A 21 -15.072 -2.388 0.234 1.00 0.00 C ATOM 269 C LYS A 21 -14.096 -1.300 0.635 1.00 0.00 C ATOM 270 O LYS A 21 -14.490 -0.180 0.971 1.00 0.00 O ATOM 271 CB LYS A 21 -15.597 -3.143 1.428 1.00 0.00 C ATOM 272 CG LYS A 21 -16.608 -4.180 1.013 1.00 0.00 C ATOM 273 CD LYS A 21 -16.785 -5.240 2.049 1.00 0.00 C ATOM 274 CE LYS A 21 -17.820 -6.252 1.592 1.00 0.00 C ATOM 275 NZ LYS A 21 -18.015 -7.347 2.553 1.00 0.00 N ATOM 0 H LYS A 21 -14.131 -4.195 -0.192 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.899 -1.887 -0.268 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.770 -3.625 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.054 -2.446 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.566 -3.696 0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.292 -4.639 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.834 -5.740 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.097 -4.789 2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.771 -5.744 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.514 -6.668 0.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.732 -8.006 2.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.117 -7.853 2.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.334 -6.958 3.463 1.00 0.00 H new ATOM 289 N ALA A 22 -12.827 -1.614 0.564 1.00 0.00 N ATOM 290 CA ALA A 22 -11.816 -0.659 0.895 1.00 0.00 C ATOM 291 C ALA A 22 -11.547 0.242 -0.291 1.00 0.00 C ATOM 292 O ALA A 22 -11.488 1.464 -0.153 1.00 0.00 O ATOM 293 CB ALA A 22 -10.553 -1.360 1.329 1.00 0.00 C ATOM 0 H ALA A 22 -12.475 -2.528 0.278 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.167 -0.046 1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.793 -0.619 1.578 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.761 -1.975 2.205 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.191 -1.993 0.519 1.00 0.00 H new ATOM 299 N LEU A 23 -11.491 -0.356 -1.483 1.00 0.00 N ATOM 300 CA LEU A 23 -11.131 0.387 -2.701 1.00 0.00 C ATOM 301 C LEU A 23 -12.261 1.312 -3.128 1.00 0.00 C ATOM 302 O LEU A 23 -12.112 2.122 -4.025 1.00 0.00 O ATOM 303 CB LEU A 23 -10.735 -0.529 -3.851 1.00 0.00 C ATOM 304 CG LEU A 23 -9.815 -1.706 -3.501 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.389 -2.459 -4.717 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.619 -1.323 -2.632 1.00 0.00 C ATOM 0 H LEU A 23 -11.688 -1.345 -1.635 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.256 0.987 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.645 -0.928 -4.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.243 0.074 -4.614 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.423 -2.371 -2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.739 -3.284 -4.425 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.268 -2.853 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.849 -1.791 -5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.018 -2.209 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.011 -0.585 -3.155 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.973 -0.901 -1.691 1.00 0.00 H new ATOM 318 N VAL A 24 -13.386 1.165 -2.501 1.00 0.00 N ATOM 319 CA VAL A 24 -14.465 2.121 -2.672 1.00 0.00 C ATOM 320 C VAL A 24 -14.025 3.508 -2.167 1.00 0.00 C ATOM 321 O VAL A 24 -14.172 4.528 -2.856 1.00 0.00 O ATOM 322 CB VAL A 24 -15.716 1.699 -1.863 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.750 2.805 -1.860 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.312 0.435 -2.422 1.00 0.00 C ATOM 0 H VAL A 24 -13.593 0.396 -1.863 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.707 2.155 -3.734 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.404 1.511 -0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.621 2.488 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.324 3.700 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.051 3.024 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.190 0.157 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.603 0.598 -3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.575 -0.367 -2.374 1.00 0.00 H new ATOM 334 N ASN A 25 -13.405 3.502 -1.005 1.00 0.00 N ATOM 335 CA ASN A 25 -13.118 4.719 -0.250 1.00 0.00 C ATOM 336 C ASN A 25 -11.682 5.184 -0.428 1.00 0.00 C ATOM 337 O ASN A 25 -11.251 6.154 0.202 1.00 0.00 O ATOM 338 CB ASN A 25 -13.377 4.469 1.246 1.00 0.00 C ATOM 339 CG ASN A 25 -14.815 4.111 1.580 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.652 4.994 1.827 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.117 2.829 1.621 1.00 0.00 N ATOM 0 H ASN A 25 -13.081 2.649 -0.549 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.775 5.500 -0.633 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.726 3.664 1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.098 5.362 1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.064 2.536 1.862 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -14.404 2.130 1.412 1.00 0.00 H new ATOM 348 N VAL A 26 -10.958 4.526 -1.296 1.00 0.00 N ATOM 349 CA VAL A 26 -9.535 4.825 -1.468 1.00 0.00 C ATOM 350 C VAL A 26 -9.241 6.074 -2.238 1.00 0.00 C ATOM 351 O VAL A 26 -10.068 6.588 -3.010 1.00 0.00 O ATOM 352 CB VAL A 26 -8.759 3.715 -2.191 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.587 2.504 -1.354 1.00 0.00 C ATOM 354 CG2 VAL A 26 -9.404 3.376 -3.504 1.00 0.00 C ATOM 0 H VAL A 26 -11.314 3.783 -1.897 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.213 4.935 -0.433 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.760 4.105 -2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.032 1.751 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.037 2.762 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.565 2.107 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.835 2.587 -3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.424 3.033 -3.331 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.422 4.261 -4.140 1.00 0.00 H new ATOM 364 N GLU A 27 -8.059 6.542 -1.988 1.00 0.00 N ATOM 365 CA GLU A 27 -7.397 7.499 -2.784 1.00 0.00 C ATOM 366 C GLU A 27 -6.229 6.814 -3.415 1.00 0.00 C ATOM 367 O GLU A 27 -5.215 6.505 -2.782 1.00 0.00 O ATOM 368 CB GLU A 27 -6.927 8.719 -2.048 1.00 0.00 C ATOM 369 CG GLU A 27 -6.411 8.473 -0.673 1.00 0.00 C ATOM 370 CD GLU A 27 -7.509 8.400 0.345 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.177 9.428 0.579 1.00 0.00 O ATOM 372 OE2 GLU A 27 -7.743 7.330 0.917 1.00 0.00 O ATOM 0 H GLU A 27 -7.511 6.245 -1.180 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.117 7.872 -3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.141 9.196 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.753 9.427 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.846 7.541 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.718 9.269 -0.400 1.00 0.00 H new ATOM 379 N TRP A 28 -6.412 6.503 -4.602 1.00 0.00 N ATOM 380 CA TRP A 28 -5.433 5.828 -5.386 1.00 0.00 C ATOM 381 C TRP A 28 -4.163 6.587 -5.552 1.00 0.00 C ATOM 382 O TRP A 28 -4.162 7.761 -5.914 1.00 0.00 O ATOM 383 CB TRP A 28 -5.993 5.392 -6.702 1.00 0.00 C ATOM 384 CG TRP A 28 -6.789 4.174 -6.565 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.093 4.024 -6.805 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.311 2.921 -6.116 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.468 2.744 -6.546 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.388 2.050 -6.122 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.065 2.454 -5.711 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.271 0.749 -5.749 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.954 1.151 -5.327 1.00 0.00 C ATOM 392 CH2 TRP A 28 -6.053 0.313 -5.350 1.00 0.00 C ATOM 0 H TRP A 28 -7.275 6.706 -5.107 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.164 4.937 -4.818 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.611 6.188 -7.118 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.179 5.219 -7.406 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.753 4.805 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.410 2.368 -6.654 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.206 3.108 -5.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.122 0.084 -5.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.998 0.769 -5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.937 -0.716 -5.042 1.00 0.00 H new ATOM 403 N ASN A 29 -3.086 5.889 -5.209 1.00 0.00 N ATOM 404 CA ASN A 29 -1.707 6.359 -5.330 1.00 0.00 C ATOM 405 C ASN A 29 -1.413 7.389 -4.269 1.00 0.00 C ATOM 406 O ASN A 29 -0.416 8.089 -4.303 1.00 0.00 O ATOM 407 CB ASN A 29 -1.442 6.876 -6.733 1.00 0.00 C ATOM 408 CG ASN A 29 -0.003 6.838 -7.159 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.679 5.806 -6.812 1.00 0.00 O flip ATOM 410 ND2 ASN A 29 0.464 7.725 -7.875 1.00 0.00 N flip ATOM 0 H ASN A 29 -3.149 4.946 -4.825 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.025 5.524 -5.167 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.030 6.289 -7.438 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.798 7.904 -6.799 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.109 8.530 -8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 29 1.424 7.655 -8.214 1.00 0.00 H new ATOM 417 N ILE A 30 -2.266 7.416 -3.293 1.00 0.00 N ATOM 418 CA ILE A 30 -2.123 8.279 -2.175 1.00 0.00 C ATOM 419 C ILE A 30 -2.127 7.422 -0.960 1.00 0.00 C ATOM 420 O ILE A 30 -3.109 6.745 -0.686 1.00 0.00 O ATOM 421 CB ILE A 30 -3.267 9.329 -2.055 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.346 10.193 -3.319 1.00 0.00 C ATOM 423 CG2 ILE A 30 -3.060 10.214 -0.806 1.00 0.00 C ATOM 424 CD1 ILE A 30 -4.401 11.266 -3.274 1.00 0.00 C ATOM 0 H ILE A 30 -3.096 6.825 -3.256 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.197 8.842 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.211 8.795 -1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.376 10.661 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.539 9.546 -4.175 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.868 10.942 -0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.059 9.589 0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.107 10.737 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.387 11.829 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.381 10.807 -3.141 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.200 11.940 -2.441 1.00 0.00 H new ATOM 436 N CYS A 31 -1.003 7.346 -0.314 1.00 0.00 N ATOM 437 CA CYS A 31 -0.914 6.656 0.949 1.00 0.00 C ATOM 438 C CYS A 31 -1.895 7.259 1.937 1.00 0.00 C ATOM 439 O CYS A 31 -1.710 8.368 2.430 1.00 0.00 O ATOM 440 CB CYS A 31 0.538 6.612 1.496 1.00 0.00 C ATOM 441 SG CYS A 31 0.742 6.126 3.224 1.00 0.00 S ATOM 0 H CYS A 31 -0.126 7.754 -0.638 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.193 5.614 0.792 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.113 5.922 0.879 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.980 7.600 1.366 1.00 0.00 H new ATOM 446 N GLN A 32 -2.948 6.518 2.184 1.00 0.00 N ATOM 447 CA GLN A 32 -4.035 6.905 3.102 1.00 0.00 C ATOM 448 C GLN A 32 -3.479 7.085 4.480 1.00 0.00 C ATOM 449 O GLN A 32 -4.012 7.800 5.301 1.00 0.00 O ATOM 450 CB GLN A 32 -5.067 5.804 3.195 1.00 0.00 C ATOM 451 CG GLN A 32 -5.352 5.130 1.913 1.00 0.00 C ATOM 452 CD GLN A 32 -6.550 4.260 2.049 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.446 3.087 2.408 1.00 0.00 O ATOM 454 NE2 GLN A 32 -7.691 4.808 1.781 1.00 0.00 N ATOM 0 H GLN A 32 -3.093 5.606 1.751 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.484 7.823 2.723 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.725 5.061 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.994 6.223 3.586 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.518 5.872 1.132 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.492 4.533 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.732 5.784 1.487 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.550 4.264 1.864 1.00 0.00 H new ATOM 463 N ASP A 33 -2.419 6.401 4.725 1.00 0.00 N ATOM 464 CA ASP A 33 -1.772 6.466 6.018 1.00 0.00 C ATOM 465 C ASP A 33 -0.953 7.786 6.146 1.00 0.00 C ATOM 466 O ASP A 33 -0.531 8.163 7.226 1.00 0.00 O ATOM 467 CB ASP A 33 -0.924 5.208 6.241 1.00 0.00 C ATOM 468 CG ASP A 33 -0.694 4.876 7.707 1.00 0.00 C ATOM 469 OD1 ASP A 33 -1.662 4.538 8.411 1.00 0.00 O ATOM 470 OD2 ASP A 33 0.445 4.897 8.163 1.00 0.00 O ATOM 0 H ASP A 33 -1.967 5.781 4.053 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.522 6.488 6.809 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.412 4.361 5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.041 5.340 5.752 1.00 0.00 H new ATOM 475 N CYS A 34 -0.713 8.473 4.997 1.00 0.00 N ATOM 476 CA CYS A 34 -0.100 9.763 4.952 1.00 0.00 C ATOM 477 C CYS A 34 -1.092 10.894 5.152 1.00 0.00 C ATOM 478 O CYS A 34 -0.795 11.870 5.803 1.00 0.00 O ATOM 479 CB CYS A 34 0.596 9.968 3.624 1.00 0.00 C ATOM 480 SG CYS A 34 2.321 9.473 3.487 1.00 0.00 S ATOM 0 H CYS A 34 -0.957 8.110 4.076 1.00 0.00 H new ATOM 0 HA CYS A 34 0.616 9.788 5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.032 9.426 2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.532 11.027 3.374 1.00 0.00 H new ATOM 485 N LYS A 35 -2.267 10.735 4.602 1.00 0.00 N ATOM 486 CA LYS A 35 -3.267 11.823 4.565 1.00 0.00 C ATOM 487 C LYS A 35 -3.784 12.138 5.951 1.00 0.00 C ATOM 488 O LYS A 35 -4.266 13.231 6.229 1.00 0.00 O ATOM 489 CB LYS A 35 -4.440 11.439 3.696 1.00 0.00 C ATOM 490 CG LYS A 35 -5.228 10.292 4.243 1.00 0.00 C ATOM 491 CD LYS A 35 -6.425 9.970 3.428 1.00 0.00 C ATOM 492 CE LYS A 35 -7.427 11.113 3.388 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.707 10.682 2.808 1.00 0.00 N ATOM 0 H LYS A 35 -2.576 9.866 4.166 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.770 12.702 4.154 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.097 12.301 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.078 11.181 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.587 9.412 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.540 10.526 5.261 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.114 9.728 2.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.908 9.081 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.592 11.490 4.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.019 11.937 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.302 11.515 2.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.531 10.176 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.195 10.050 3.475 1.00 0.00 H new ATOM 507 N THR A 36 -3.674 11.168 6.795 1.00 0.00 N ATOM 508 CA THR A 36 -4.117 11.236 8.137 1.00 0.00 C ATOM 509 C THR A 36 -3.065 11.872 9.027 1.00 0.00 C ATOM 510 O THR A 36 -3.202 11.918 10.253 1.00 0.00 O ATOM 511 CB THR A 36 -4.488 9.834 8.625 1.00 0.00 C ATOM 512 OG1 THR A 36 -3.473 8.897 8.205 1.00 0.00 O ATOM 513 CG2 THR A 36 -5.828 9.416 8.053 1.00 0.00 C ATOM 0 H THR A 36 -3.254 10.270 6.553 1.00 0.00 H new ATOM 0 HA THR A 36 -5.003 11.869 8.187 1.00 0.00 H new ATOM 0 HB THR A 36 -4.556 9.843 9.713 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.725 8.506 7.342 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.080 8.417 8.408 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.596 10.119 8.374 1.00 0.00 H new ATOM 0 HG23 THR A 36 -5.773 9.411 6.964 1.00 0.00 H new ATOM 521 N ASP A 37 -2.018 12.366 8.412 1.00 0.00 N ATOM 522 CA ASP A 37 -0.991 13.066 9.144 1.00 0.00 C ATOM 523 C ASP A 37 -1.232 14.551 9.035 1.00 0.00 C ATOM 524 O ASP A 37 -0.576 15.270 8.270 1.00 0.00 O ATOM 525 CB ASP A 37 0.414 12.720 8.657 1.00 0.00 C ATOM 526 CG ASP A 37 1.493 13.225 9.603 1.00 0.00 C ATOM 527 OD1 ASP A 37 1.860 12.466 10.536 1.00 0.00 O ATOM 528 OD2 ASP A 37 1.993 14.351 9.440 1.00 0.00 O ATOM 0 H ASP A 37 -1.855 12.296 7.408 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.047 12.750 10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.504 11.639 8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.570 13.151 7.668 1.00 0.00 H new ATOM 533 N ASN A 38 -2.237 15.016 9.728 1.00 0.00 N ATOM 534 CA ASN A 38 -2.535 16.441 9.716 1.00 0.00 C ATOM 535 C ASN A 38 -1.762 17.162 10.770 1.00 0.00 C ATOM 536 O ASN A 38 -2.260 17.654 11.793 1.00 0.00 O ATOM 537 CB ASN A 38 -3.989 16.741 9.766 1.00 0.00 C ATOM 538 CG ASN A 38 -4.325 18.225 9.537 1.00 0.00 C ATOM 539 OD1 ASN A 38 -4.439 19.016 10.475 1.00 0.00 O ATOM 540 ND2 ASN A 38 -4.484 18.609 8.303 1.00 0.00 N ATOM 0 H ASN A 38 -2.860 14.448 10.302 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.204 16.821 8.749 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -4.500 16.142 9.012 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.381 16.435 10.736 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.708 19.583 8.097 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.385 17.936 7.543 1.00 0.00 H new ATOM 547 N LYS A 39 -0.546 17.066 10.562 1.00 0.00 N ATOM 548 CA LYS A 39 0.473 17.754 11.289 1.00 0.00 C ATOM 549 C LYS A 39 1.048 18.712 10.297 1.00 0.00 C ATOM 550 O LYS A 39 1.331 19.875 10.585 1.00 0.00 O ATOM 551 CB LYS A 39 1.548 16.774 11.733 1.00 0.00 C ATOM 552 CG LYS A 39 1.050 15.629 12.565 1.00 0.00 C ATOM 553 CD LYS A 39 2.200 14.729 12.881 1.00 0.00 C ATOM 554 CE LYS A 39 1.768 13.502 13.644 1.00 0.00 C ATOM 555 NZ LYS A 39 1.249 13.806 14.991 1.00 0.00 N ATOM 0 H LYS A 39 -0.168 16.466 9.829 1.00 0.00 H new ATOM 0 HA LYS A 39 0.089 18.246 12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.043 16.374 10.848 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.303 17.317 12.302 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.597 15.999 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.277 15.080 12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.688 14.426 11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.939 15.277 13.466 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.998 12.981 13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.615 12.821 13.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.033 12.918 15.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.964 14.338 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.383 14.376 14.909 1.00 0.00 H new ATOM 569 N VAL A 40 1.169 18.199 9.104 1.00 0.00 N ATOM 570 CA VAL A 40 1.597 18.930 7.969 1.00 0.00 C ATOM 571 C VAL A 40 0.394 19.183 7.070 1.00 0.00 C ATOM 572 O VAL A 40 -0.719 18.710 7.368 1.00 0.00 O ATOM 573 CB VAL A 40 2.689 18.169 7.199 1.00 0.00 C ATOM 574 CG1 VAL A 40 3.951 18.060 8.032 1.00 0.00 C ATOM 575 CG2 VAL A 40 2.205 16.788 6.762 1.00 0.00 C ATOM 0 H VAL A 40 0.961 17.221 8.900 1.00 0.00 H new ATOM 0 HA VAL A 40 2.026 19.878 8.294 1.00 0.00 H new ATOM 0 HB VAL A 40 2.919 18.737 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.712 17.518 7.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.317 19.059 8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.732 17.524 8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.002 16.278 6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.931 16.204 7.640 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.336 16.896 6.113 1.00 0.00 H new ATOM 585 N LYS A 41 0.600 19.893 5.985 1.00 0.00 N ATOM 586 CA LYS A 41 -0.492 20.246 5.100 1.00 0.00 C ATOM 587 C LYS A 41 -0.863 19.092 4.197 1.00 0.00 C ATOM 588 O LYS A 41 -2.037 18.715 4.107 1.00 0.00 O ATOM 589 CB LYS A 41 -0.144 21.480 4.272 1.00 0.00 C ATOM 590 CG LYS A 41 0.077 22.725 5.068 1.00 0.00 C ATOM 591 CD LYS A 41 -1.155 23.126 5.813 1.00 0.00 C ATOM 592 CE LYS A 41 -0.934 24.444 6.507 1.00 0.00 C ATOM 593 NZ LYS A 41 -0.766 25.562 5.547 1.00 0.00 N ATOM 0 H LYS A 41 1.514 20.239 5.692 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.357 20.479 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.756 21.271 3.694 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.947 21.660 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.894 22.567 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.381 23.534 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.996 23.205 5.124 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.413 22.360 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.780 24.654 7.162 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.050 24.375 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.921 26.466 6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.197 25.541 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.456 25.464 4.775 1.00 0.00 H new ATOM 607 N ASP A 42 0.122 18.527 3.546 1.00 0.00 N ATOM 608 CA ASP A 42 -0.087 17.415 2.633 1.00 0.00 C ATOM 609 C ASP A 42 1.107 16.528 2.708 1.00 0.00 C ATOM 610 O ASP A 42 2.136 16.916 3.254 1.00 0.00 O ATOM 611 CB ASP A 42 -0.249 17.866 1.164 1.00 0.00 C ATOM 612 CG ASP A 42 -1.467 18.719 0.879 1.00 0.00 C ATOM 613 OD1 ASP A 42 -1.393 19.960 1.035 1.00 0.00 O ATOM 614 OD2 ASP A 42 -2.504 18.182 0.438 1.00 0.00 O ATOM 0 H ASP A 42 1.095 18.820 3.629 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.006 16.911 2.931 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.641 18.424 0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.291 16.979 0.532 1.00 0.00 H new ATOM 619 N LYS A 43 1.001 15.369 2.140 1.00 0.00 N ATOM 620 CA LYS A 43 2.089 14.425 2.148 1.00 0.00 C ATOM 621 C LYS A 43 2.582 14.130 0.761 1.00 0.00 C ATOM 622 O LYS A 43 3.408 13.226 0.561 1.00 0.00 O ATOM 623 CB LYS A 43 1.711 13.154 2.875 1.00 0.00 C ATOM 624 CG LYS A 43 1.795 13.240 4.381 1.00 0.00 C ATOM 625 CD LYS A 43 3.229 13.415 4.804 1.00 0.00 C ATOM 626 CE LYS A 43 3.393 13.274 6.295 1.00 0.00 C ATOM 627 NZ LYS A 43 4.794 13.456 6.700 1.00 0.00 N ATOM 0 H LYS A 43 0.163 15.044 1.657 1.00 0.00 H new ATOM 0 HA LYS A 43 2.911 14.889 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.693 12.881 2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.362 12.349 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.196 14.077 4.740 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.382 12.336 4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.850 12.676 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.583 14.397 4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.768 14.009 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.047 12.289 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.083 12.668 7.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.400 13.476 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.892 14.353 7.218 1.00 0.00 H new ATOM 641 N ALA A 44 2.075 14.887 -0.193 1.00 0.00 N ATOM 642 CA ALA A 44 2.520 14.785 -1.553 1.00 0.00 C ATOM 643 C ALA A 44 3.968 15.208 -1.613 1.00 0.00 C ATOM 644 O ALA A 44 4.805 14.478 -2.104 1.00 0.00 O ATOM 645 CB ALA A 44 1.664 15.643 -2.458 1.00 0.00 C ATOM 0 H ALA A 44 1.347 15.584 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 44 2.427 13.756 -1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.017 15.553 -3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.627 15.312 -2.400 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.730 16.684 -2.142 1.00 0.00 H new ATOM 651 N GLU A 45 4.238 16.405 -1.084 1.00 0.00 N ATOM 652 CA GLU A 45 5.600 16.959 -0.925 1.00 0.00 C ATOM 653 C GLU A 45 6.342 17.082 -2.266 1.00 0.00 C ATOM 654 O GLU A 45 7.560 17.254 -2.305 1.00 0.00 O ATOM 655 CB GLU A 45 6.395 16.070 0.050 1.00 0.00 C ATOM 656 CG GLU A 45 5.734 15.907 1.417 1.00 0.00 C ATOM 657 CD GLU A 45 5.723 17.175 2.225 1.00 0.00 C ATOM 658 OE1 GLU A 45 4.953 18.103 1.914 1.00 0.00 O ATOM 659 OE2 GLU A 45 6.489 17.264 3.209 1.00 0.00 O ATOM 0 H GLU A 45 3.508 17.033 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 45 5.510 17.968 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.529 15.085 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.389 16.496 0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.709 15.563 1.279 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.258 15.132 1.976 1.00 0.00 H new ATOM 666 N GLU A 46 5.595 17.086 -3.345 1.00 0.00 N ATOM 667 CA GLU A 46 6.171 17.047 -4.663 1.00 0.00 C ATOM 668 C GLU A 46 6.582 18.418 -5.198 1.00 0.00 C ATOM 669 O GLU A 46 5.813 19.103 -5.905 1.00 0.00 O ATOM 670 CB GLU A 46 5.292 16.246 -5.646 1.00 0.00 C ATOM 671 CG GLU A 46 3.820 16.642 -5.653 1.00 0.00 C ATOM 672 CD GLU A 46 2.999 15.811 -6.605 1.00 0.00 C ATOM 673 OE1 GLU A 46 2.505 14.731 -6.209 1.00 0.00 O ATOM 674 OE2 GLU A 46 2.833 16.219 -7.769 1.00 0.00 O ATOM 0 H GLU A 46 4.576 17.116 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 46 7.111 16.504 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.692 16.369 -6.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.368 15.187 -5.400 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.416 16.539 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.732 17.694 -5.926 1.00 0.00 H new ATOM 681 N GLU A 47 7.760 18.850 -4.766 1.00 0.00 N ATOM 682 CA GLU A 47 8.397 20.040 -5.254 1.00 0.00 C ATOM 683 C GLU A 47 9.895 20.035 -4.963 1.00 0.00 C ATOM 684 O GLU A 47 10.703 20.260 -5.859 1.00 0.00 O ATOM 685 CB GLU A 47 7.735 21.301 -4.766 1.00 0.00 C ATOM 686 CG GLU A 47 7.615 21.415 -3.288 1.00 0.00 C ATOM 687 CD GLU A 47 7.078 22.743 -2.907 1.00 0.00 C ATOM 688 OE1 GLU A 47 7.861 23.712 -2.845 1.00 0.00 O ATOM 689 OE2 GLU A 47 5.862 22.866 -2.712 1.00 0.00 O ATOM 0 H GLU A 47 8.301 18.364 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 47 8.273 20.033 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.299 22.157 -5.137 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.738 21.363 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.960 20.630 -2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 47 8.591 21.266 -2.826 1.00 0.00 H new ATOM 696 N THR A 48 10.270 19.779 -3.726 1.00 0.00 N ATOM 697 CA THR A 48 11.665 19.688 -3.387 1.00 0.00 C ATOM 698 C THR A 48 12.162 18.284 -3.666 1.00 0.00 C ATOM 699 O THR A 48 13.051 18.077 -4.503 1.00 0.00 O ATOM 700 CB THR A 48 11.905 20.048 -1.908 1.00 0.00 C ATOM 701 OG1 THR A 48 11.454 21.389 -1.656 1.00 0.00 O ATOM 702 CG2 THR A 48 13.379 19.914 -1.541 1.00 0.00 C ATOM 0 H THR A 48 9.628 19.632 -2.947 1.00 0.00 H new ATOM 0 HA THR A 48 12.216 20.402 -3.999 1.00 0.00 H new ATOM 0 HB THR A 48 11.339 19.352 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.607 21.614 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.518 20.174 -0.492 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.703 18.886 -1.706 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.971 20.585 -2.163 1.00 0.00 H new ATOM 710 N GLU A 49 11.562 17.327 -3.004 1.00 0.00 N ATOM 711 CA GLU A 49 11.951 15.963 -3.122 1.00 0.00 C ATOM 712 C GLU A 49 10.839 15.077 -2.653 1.00 0.00 C ATOM 713 O GLU A 49 9.731 15.547 -2.467 1.00 0.00 O ATOM 714 CB GLU A 49 13.228 15.694 -2.319 1.00 0.00 C ATOM 715 CG GLU A 49 14.388 15.342 -3.211 1.00 0.00 C ATOM 716 CD GLU A 49 14.031 14.179 -4.094 1.00 0.00 C ATOM 717 OE1 GLU A 49 14.147 13.031 -3.649 1.00 0.00 O ATOM 718 OE2 GLU A 49 13.564 14.393 -5.218 1.00 0.00 O ATOM 0 H GLU A 49 10.783 17.485 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 49 12.159 15.746 -4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.478 16.576 -1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.050 14.880 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.660 16.202 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 49 15.260 15.094 -2.605 1.00 0.00 H new ATOM 725 N GLU A 50 11.158 13.813 -2.470 1.00 0.00 N ATOM 726 CA GLU A 50 10.239 12.783 -1.998 1.00 0.00 C ATOM 727 C GLU A 50 9.144 12.457 -2.979 1.00 0.00 C ATOM 728 O GLU A 50 8.060 13.033 -2.944 1.00 0.00 O ATOM 729 CB GLU A 50 9.645 13.098 -0.632 1.00 0.00 C ATOM 730 CG GLU A 50 10.660 13.148 0.463 1.00 0.00 C ATOM 731 CD GLU A 50 10.063 13.615 1.754 1.00 0.00 C ATOM 732 OE1 GLU A 50 10.001 14.848 1.976 1.00 0.00 O ATOM 733 OE2 GLU A 50 9.643 12.780 2.576 1.00 0.00 O ATOM 0 H GLU A 50 12.096 13.456 -2.650 1.00 0.00 H new ATOM 0 HA GLU A 50 10.861 11.894 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.129 14.057 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.896 12.345 -0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.095 12.158 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.472 13.816 0.176 1.00 0.00 H new ATOM 740 N LYS A 51 9.444 11.585 -3.880 1.00 0.00 N ATOM 741 CA LYS A 51 8.467 11.026 -4.751 1.00 0.00 C ATOM 742 C LYS A 51 8.458 9.523 -4.542 1.00 0.00 C ATOM 743 O LYS A 51 9.150 8.777 -5.231 1.00 0.00 O ATOM 744 CB LYS A 51 8.679 11.406 -6.218 1.00 0.00 C ATOM 745 CG LYS A 51 8.638 12.914 -6.467 1.00 0.00 C ATOM 746 CD LYS A 51 10.005 13.604 -6.372 1.00 0.00 C ATOM 747 CE LYS A 51 10.945 13.146 -7.475 1.00 0.00 C ATOM 748 NZ LYS A 51 12.226 13.879 -7.458 1.00 0.00 N ATOM 0 H LYS A 51 10.389 11.235 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 51 7.491 11.442 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.641 11.016 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.912 10.924 -6.825 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.219 13.096 -7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.961 13.372 -5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.872 14.684 -6.433 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.453 13.392 -5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.138 12.079 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.462 13.285 -8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.878 13.455 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.059 14.875 -7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.645 13.825 -6.508 1.00 0.00 H new ATOM 762 N PRO A 52 7.732 9.080 -3.513 1.00 0.00 N ATOM 763 CA PRO A 52 7.707 7.697 -3.102 1.00 0.00 C ATOM 764 C PRO A 52 6.765 6.844 -3.916 1.00 0.00 C ATOM 765 O PRO A 52 5.916 7.343 -4.678 1.00 0.00 O ATOM 766 CB PRO A 52 7.190 7.804 -1.676 1.00 0.00 C ATOM 767 CG PRO A 52 6.222 8.922 -1.739 1.00 0.00 C ATOM 768 CD PRO A 52 6.854 9.912 -2.658 1.00 0.00 C ATOM 0 HA PRO A 52 8.680 7.220 -3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.713 6.879 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.996 8.011 -0.972 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.256 8.589 -2.118 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.047 9.352 -0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.108 10.445 -3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.423 10.663 -2.109 1.00 0.00 H new ATOM 776 N SER A 53 6.937 5.576 -3.774 1.00 0.00 N ATOM 777 CA SER A 53 6.093 4.620 -4.349 1.00 0.00 C ATOM 778 C SER A 53 4.938 4.378 -3.402 1.00 0.00 C ATOM 779 O SER A 53 5.064 4.616 -2.190 1.00 0.00 O ATOM 780 CB SER A 53 6.911 3.355 -4.602 1.00 0.00 C ATOM 781 OG SER A 53 7.785 3.080 -3.487 1.00 0.00 O ATOM 0 H SER A 53 7.702 5.174 -3.232 1.00 0.00 H new ATOM 0 HA SER A 53 5.682 4.953 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.242 2.510 -4.763 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.500 3.473 -5.512 1.00 0.00 H new ATOM 0 HG SER A 53 8.507 2.484 -3.777 1.00 0.00 H new ATOM 787 N VAL A 54 3.836 3.966 -3.925 1.00 0.00 N ATOM 788 CA VAL A 54 2.691 3.702 -3.105 1.00 0.00 C ATOM 789 C VAL A 54 2.319 2.269 -3.240 1.00 0.00 C ATOM 790 O VAL A 54 2.006 1.793 -4.321 1.00 0.00 O ATOM 791 CB VAL A 54 1.490 4.613 -3.428 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.326 4.309 -2.494 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.892 6.056 -3.275 1.00 0.00 C ATOM 0 H VAL A 54 3.697 3.802 -4.922 1.00 0.00 H new ATOM 0 HA VAL A 54 2.963 3.925 -2.073 1.00 0.00 H new ATOM 0 HB VAL A 54 1.177 4.427 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.514 4.961 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.024 3.269 -2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.633 4.480 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.041 6.697 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.217 6.237 -2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.710 6.280 -3.960 1.00 0.00 H new ATOM 803 N TRP A 55 2.407 1.589 -2.170 1.00 0.00 N ATOM 804 CA TRP A 55 2.121 0.212 -2.136 1.00 0.00 C ATOM 805 C TRP A 55 0.773 -0.019 -1.479 1.00 0.00 C ATOM 806 O TRP A 55 0.461 0.556 -0.434 1.00 0.00 O ATOM 807 CB TRP A 55 3.258 -0.572 -1.463 1.00 0.00 C ATOM 808 CG TRP A 55 4.605 -0.446 -2.162 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.420 0.641 -2.165 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.293 -1.452 -2.936 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.564 0.387 -2.883 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.511 -0.890 -3.365 1.00 0.00 C ATOM 813 CE3 TRP A 55 5.000 -2.764 -3.308 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.432 -1.598 -4.139 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.908 -3.465 -4.076 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.113 -2.883 -4.481 1.00 0.00 C ATOM 0 H TRP A 55 2.686 1.981 -1.271 1.00 0.00 H new ATOM 0 HA TRP A 55 2.055 -0.169 -3.155 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.362 -0.227 -0.434 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.981 -1.625 -1.420 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.199 1.576 -1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.329 1.045 -3.032 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.074 -3.226 -2.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.361 -1.148 -4.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.684 -4.480 -4.369 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.806 -3.460 -5.076 1.00 0.00 H new ATOM 827 N LEU A 56 -0.032 -0.789 -2.141 1.00 0.00 N ATOM 828 CA LEU A 56 -1.337 -1.117 -1.672 1.00 0.00 C ATOM 829 C LEU A 56 -1.345 -2.502 -1.067 1.00 0.00 C ATOM 830 O LEU A 56 -0.948 -3.467 -1.713 1.00 0.00 O ATOM 831 CB LEU A 56 -2.368 -1.068 -2.788 1.00 0.00 C ATOM 832 CG LEU A 56 -3.766 -1.498 -2.352 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.651 -0.325 -2.045 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.386 -2.438 -3.336 1.00 0.00 C ATOM 0 H LEU A 56 0.205 -1.213 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.601 -0.374 -0.919 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.416 -0.053 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.038 -1.711 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.654 -2.048 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.635 -0.682 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.211 0.262 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.751 0.298 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.380 -2.722 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.464 -1.949 -4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.766 -3.330 -3.428 1.00 0.00 H new ATOM 846 N CYS A 57 -1.800 -2.580 0.151 1.00 0.00 N ATOM 847 CA CYS A 57 -1.949 -3.811 0.874 1.00 0.00 C ATOM 848 C CYS A 57 -3.015 -4.656 0.183 1.00 0.00 C ATOM 849 O CYS A 57 -4.190 -4.310 0.226 1.00 0.00 O ATOM 850 CB CYS A 57 -2.419 -3.471 2.291 1.00 0.00 C ATOM 851 SG CYS A 57 -2.377 -4.829 3.497 1.00 0.00 S ATOM 0 H CYS A 57 -2.087 -1.761 0.686 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.008 -4.360 0.907 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.802 -2.657 2.670 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.441 -3.096 2.232 1.00 0.00 H new ATOM 856 N LEU A 58 -2.616 -5.772 -0.413 1.00 0.00 N ATOM 857 CA LEU A 58 -3.526 -6.666 -1.132 1.00 0.00 C ATOM 858 C LEU A 58 -4.406 -7.403 -0.168 1.00 0.00 C ATOM 859 O LEU A 58 -5.345 -8.099 -0.537 1.00 0.00 O ATOM 860 CB LEU A 58 -2.676 -7.609 -1.943 1.00 0.00 C ATOM 861 CG LEU A 58 -2.077 -6.982 -3.186 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.793 -7.650 -3.552 1.00 0.00 C ATOM 863 CD2 LEU A 58 -3.049 -7.129 -4.333 1.00 0.00 C ATOM 0 H LEU A 58 -1.646 -6.088 -0.413 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.188 -6.105 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.870 -7.988 -1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.281 -8.467 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.881 -5.929 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.382 -7.183 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.083 -7.548 -2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.975 -8.707 -3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.624 -6.680 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.242 -8.187 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.984 -6.627 -4.084 1.00 0.00 H new ATOM 875 N LYS A 59 -4.087 -7.231 1.060 1.00 0.00 N ATOM 876 CA LYS A 59 -4.811 -7.810 2.116 1.00 0.00 C ATOM 877 C LYS A 59 -5.991 -6.940 2.562 1.00 0.00 C ATOM 878 O LYS A 59 -7.058 -7.459 2.795 1.00 0.00 O ATOM 879 CB LYS A 59 -3.891 -8.111 3.288 1.00 0.00 C ATOM 880 CG LYS A 59 -4.607 -8.698 4.456 1.00 0.00 C ATOM 881 CD LYS A 59 -5.117 -10.102 4.148 1.00 0.00 C ATOM 882 CE LYS A 59 -5.706 -10.781 5.368 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.964 -10.162 5.817 1.00 0.00 N ATOM 0 H LYS A 59 -3.292 -6.667 1.362 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.230 -8.745 1.745 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.112 -8.800 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.394 -7.192 3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.937 -8.733 5.315 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.445 -8.057 4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.873 -10.048 3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.298 -10.706 3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.885 -11.832 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.981 -10.749 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.875 -9.878 6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.166 -9.324 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.741 -10.846 5.721 1.00 0.00 H new ATOM 897 N CYS A 60 -5.795 -5.640 2.701 1.00 0.00 N ATOM 898 CA CYS A 60 -6.902 -4.786 3.196 1.00 0.00 C ATOM 899 C CYS A 60 -7.225 -3.567 2.335 1.00 0.00 C ATOM 900 O CYS A 60 -8.156 -2.842 2.644 1.00 0.00 O ATOM 901 CB CYS A 60 -6.642 -4.350 4.620 1.00 0.00 C ATOM 902 SG CYS A 60 -5.329 -3.129 4.784 1.00 0.00 S ATOM 0 H CYS A 60 -4.924 -5.152 2.493 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.784 -5.424 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.561 -3.938 5.037 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.386 -5.226 5.216 1.00 0.00 H new ATOM 907 N GLY A 61 -6.469 -3.330 1.314 1.00 0.00 N ATOM 908 CA GLY A 61 -6.743 -2.192 0.450 1.00 0.00 C ATOM 909 C GLY A 61 -6.196 -0.875 0.997 1.00 0.00 C ATOM 910 O GLY A 61 -6.673 0.190 0.647 1.00 0.00 O ATOM 0 H GLY A 61 -5.662 -3.893 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.310 -2.378 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.820 -2.101 0.311 1.00 0.00 H new ATOM 914 N HIS A 62 -5.251 -0.980 1.891 1.00 0.00 N ATOM 915 CA HIS A 62 -4.519 0.171 2.446 1.00 0.00 C ATOM 916 C HIS A 62 -3.457 0.674 1.475 1.00 0.00 C ATOM 917 O HIS A 62 -2.739 -0.125 0.891 1.00 0.00 O ATOM 918 CB HIS A 62 -3.864 -0.245 3.811 1.00 0.00 C ATOM 919 CG HIS A 62 -2.507 0.384 4.147 1.00 0.00 C ATOM 920 ND1 HIS A 62 -2.316 1.456 4.981 1.00 0.00 N ATOM 921 CD2 HIS A 62 -1.257 0.015 3.736 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.996 1.695 5.043 1.00 0.00 C ATOM 923 NE2 HIS A 62 -0.319 0.849 4.308 1.00 0.00 N ATOM 0 H HIS A 62 -4.948 -1.876 2.274 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.222 0.988 2.611 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.561 0.003 4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.746 -1.329 3.815 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -3.045 1.978 5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.037 -0.803 3.066 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.549 2.486 5.626 1.00 0.00 H new ATOM 931 N GLN A 63 -3.378 1.974 1.300 1.00 0.00 N ATOM 932 CA GLN A 63 -2.254 2.538 0.597 1.00 0.00 C ATOM 933 C GLN A 63 -1.260 3.120 1.541 1.00 0.00 C ATOM 934 O GLN A 63 -1.592 3.937 2.420 1.00 0.00 O ATOM 935 CB GLN A 63 -2.574 3.567 -0.452 1.00 0.00 C ATOM 936 CG GLN A 63 -3.221 3.042 -1.681 1.00 0.00 C ATOM 937 CD GLN A 63 -4.730 3.105 -1.618 1.00 0.00 C ATOM 938 OE1 GLN A 63 -5.330 3.005 -0.574 1.00 0.00 O ATOM 939 NE2 GLN A 63 -5.342 3.291 -2.735 1.00 0.00 N ATOM 0 H GLN A 63 -4.068 2.649 1.630 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.845 1.680 0.064 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.227 4.320 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.651 4.072 -0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.873 3.613 -2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.911 2.009 -1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.809 3.372 -3.601 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.360 3.358 -2.754 1.00 0.00 H new ATOM 948 N GLY A 64 -0.081 2.691 1.364 1.00 0.00 N ATOM 949 CA GLY A 64 1.005 3.118 2.118 1.00 0.00 C ATOM 950 C GLY A 64 2.143 3.482 1.246 1.00 0.00 C ATOM 951 O GLY A 64 2.292 2.971 0.154 1.00 0.00 O ATOM 0 H GLY A 64 0.160 1.999 0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.717 3.977 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.307 2.329 2.807 1.00 0.00 H new ATOM 955 N CYS A 65 2.924 4.376 1.713 1.00 0.00 N ATOM 956 CA CYS A 65 4.035 4.844 0.990 1.00 0.00 C ATOM 957 C CYS A 65 5.178 3.876 1.205 1.00 0.00 C ATOM 958 O CYS A 65 5.415 3.412 2.345 1.00 0.00 O ATOM 959 CB CYS A 65 4.344 6.260 1.425 1.00 0.00 C ATOM 960 SG CYS A 65 4.485 6.451 3.198 1.00 0.00 S ATOM 0 H CYS A 65 2.805 4.811 2.628 1.00 0.00 H new ATOM 0 HA CYS A 65 3.843 4.886 -0.082 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.276 6.579 0.959 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.561 6.923 1.058 1.00 0.00 H new ATOM 965 N GLY A 66 5.830 3.542 0.135 1.00 0.00 N ATOM 966 CA GLY A 66 6.806 2.513 0.140 1.00 0.00 C ATOM 967 C GLY A 66 8.147 2.891 0.672 1.00 0.00 C ATOM 968 O GLY A 66 8.311 3.839 1.430 1.00 0.00 O ATOM 0 H GLY A 66 5.693 3.985 -0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.424 1.679 0.729 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.930 2.151 -0.881 1.00 0.00 H new ATOM 972 N ARG A 67 9.116 2.180 0.176 1.00 0.00 N ATOM 973 CA ARG A 67 10.499 2.193 0.647 1.00 0.00 C ATOM 974 C ARG A 67 11.205 3.491 0.324 1.00 0.00 C ATOM 975 O ARG A 67 12.265 3.786 0.859 1.00 0.00 O ATOM 976 CB ARG A 67 11.218 1.032 -0.018 1.00 0.00 C ATOM 977 CG ARG A 67 10.439 -0.263 0.093 1.00 0.00 C ATOM 978 CD ARG A 67 11.133 -1.414 -0.591 1.00 0.00 C ATOM 979 NE ARG A 67 12.339 -1.835 0.102 1.00 0.00 N ATOM 980 CZ ARG A 67 13.287 -2.601 -0.423 1.00 0.00 C ATOM 981 NH1 ARG A 67 13.281 -2.874 -1.732 1.00 0.00 N ATOM 982 NH2 ARG A 67 14.252 -3.075 0.354 1.00 0.00 N ATOM 0 H ARG A 67 8.973 1.540 -0.605 1.00 0.00 H new ATOM 0 HA ARG A 67 10.506 2.098 1.733 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.385 1.265 -1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.199 0.904 0.440 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.291 -0.505 1.145 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.450 -0.127 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.446 -2.257 -0.661 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.387 -1.125 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 67 12.466 -1.518 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.547 -2.493 -2.329 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.011 -3.463 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.262 -2.850 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.984 -3.664 -0.043 1.00 0.00 H new ATOM 996 N ASN A 68 10.586 4.271 -0.513 1.00 0.00 N ATOM 997 CA ASN A 68 11.174 5.491 -1.008 1.00 0.00 C ATOM 998 C ASN A 68 10.562 6.693 -0.347 1.00 0.00 C ATOM 999 O ASN A 68 10.688 7.809 -0.831 1.00 0.00 O ATOM 1000 CB ASN A 68 10.979 5.562 -2.509 1.00 0.00 C ATOM 1001 CG ASN A 68 11.632 4.397 -3.210 1.00 0.00 C ATOM 1002 OD1 ASN A 68 12.668 3.881 -2.769 1.00 0.00 O ATOM 1003 ND2 ASN A 68 11.039 3.959 -4.271 1.00 0.00 N ATOM 0 H ASN A 68 9.652 4.081 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 68 12.239 5.490 -0.774 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.913 5.574 -2.738 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.397 6.495 -2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.423 3.161 -4.777 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.187 4.411 -4.603 1.00 0.00 H new ATOM 1010 N SER A 69 9.887 6.475 0.742 1.00 0.00 N ATOM 1011 CA SER A 69 9.319 7.566 1.468 1.00 0.00 C ATOM 1012 C SER A 69 10.062 7.710 2.770 1.00 0.00 C ATOM 1013 O SER A 69 10.750 6.772 3.196 1.00 0.00 O ATOM 1014 CB SER A 69 7.840 7.321 1.731 1.00 0.00 C ATOM 1015 OG SER A 69 7.637 6.151 2.494 1.00 0.00 O ATOM 0 H SER A 69 9.718 5.553 1.145 1.00 0.00 H new ATOM 0 HA SER A 69 9.408 8.482 0.884 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.416 8.177 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.310 7.234 0.782 1.00 0.00 H new ATOM 0 HG SER A 69 7.649 5.369 1.903 1.00 0.00 H new ATOM 1021 N GLN A 70 9.941 8.842 3.406 1.00 0.00 N ATOM 1022 CA GLN A 70 10.577 9.046 4.684 1.00 0.00 C ATOM 1023 C GLN A 70 9.724 8.403 5.778 1.00 0.00 C ATOM 1024 O GLN A 70 10.230 7.991 6.830 1.00 0.00 O ATOM 1025 CB GLN A 70 10.754 10.547 4.945 1.00 0.00 C ATOM 1026 CG GLN A 70 11.471 10.888 6.248 1.00 0.00 C ATOM 1027 CD GLN A 70 12.872 10.322 6.310 1.00 0.00 C ATOM 1028 OE1 GLN A 70 13.835 10.965 5.884 1.00 0.00 O ATOM 1029 NE2 GLN A 70 13.000 9.138 6.842 1.00 0.00 N ATOM 0 H GLN A 70 9.408 9.641 3.062 1.00 0.00 H new ATOM 0 HA GLN A 70 11.563 8.581 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.310 10.983 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.771 11.019 4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.516 11.971 6.360 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.891 10.505 7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.177 8.640 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 70 13.923 8.710 6.918 1.00 0.00 H new ATOM 1038 N GLU A 71 8.446 8.269 5.486 1.00 0.00 N ATOM 1039 CA GLU A 71 7.492 7.756 6.438 1.00 0.00 C ATOM 1040 C GLU A 71 7.444 6.235 6.428 1.00 0.00 C ATOM 1041 O GLU A 71 7.271 5.627 7.472 1.00 0.00 O ATOM 1042 CB GLU A 71 6.110 8.318 6.102 1.00 0.00 C ATOM 1043 CG GLU A 71 5.998 9.830 6.243 1.00 0.00 C ATOM 1044 CD GLU A 71 5.957 10.286 7.686 1.00 0.00 C ATOM 1045 OE1 GLU A 71 6.881 9.974 8.459 1.00 0.00 O ATOM 1046 OE2 GLU A 71 4.992 10.968 8.061 1.00 0.00 O ATOM 0 H GLU A 71 8.043 8.514 4.581 1.00 0.00 H new ATOM 0 HA GLU A 71 7.800 8.067 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.857 8.040 5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.372 7.848 6.752 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.845 10.300 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.097 10.172 5.734 1.00 0.00 H new ATOM 1053 N GLN A 72 7.624 5.633 5.238 1.00 0.00 N ATOM 1054 CA GLN A 72 7.576 4.171 5.034 1.00 0.00 C ATOM 1055 C GLN A 72 6.395 3.503 5.748 1.00 0.00 C ATOM 1056 O GLN A 72 6.532 2.442 6.358 1.00 0.00 O ATOM 1057 CB GLN A 72 8.914 3.491 5.363 1.00 0.00 C ATOM 1058 CG GLN A 72 9.993 3.820 4.367 1.00 0.00 C ATOM 1059 CD GLN A 72 11.205 3.023 4.550 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.223 1.920 3.950 1.00 0.00 O flip ATOM 1061 NE2 GLN A 72 12.123 3.400 5.269 1.00 0.00 N flip ATOM 0 H GLN A 72 7.809 6.153 4.380 1.00 0.00 H new ATOM 0 HA GLN A 72 7.403 4.025 3.968 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.238 3.797 6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.770 2.411 5.393 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.610 3.661 3.359 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.245 4.877 4.449 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.066 4.304 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.944 2.809 5.399 1.00 0.00 H new ATOM 1070 N HIS A 73 5.220 4.107 5.606 1.00 0.00 N ATOM 1071 CA HIS A 73 4.036 3.676 6.246 1.00 0.00 C ATOM 1072 C HIS A 73 3.605 2.270 5.844 1.00 0.00 C ATOM 1073 O HIS A 73 2.997 1.596 6.632 1.00 0.00 O ATOM 1074 CB HIS A 73 2.933 4.650 5.960 1.00 0.00 C ATOM 1075 CG HIS A 73 2.972 5.972 6.696 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.686 7.115 6.036 1.00 0.00 N ATOM 1077 CD2 HIS A 73 3.125 6.256 8.018 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.637 8.069 6.904 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.902 7.613 8.140 1.00 0.00 N ATOM 0 H HIS A 73 5.088 4.931 5.020 1.00 0.00 H new ATOM 0 HA HIS A 73 4.249 3.638 7.314 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.935 4.858 4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.985 4.164 6.188 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.370 5.563 8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.412 9.099 6.668 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.932 8.162 8.999 1.00 0.00 H new ATOM 1087 N ALA A 74 3.920 1.848 4.620 1.00 0.00 N ATOM 1088 CA ALA A 74 3.585 0.480 4.167 1.00 0.00 C ATOM 1089 C ALA A 74 4.414 -0.543 4.946 1.00 0.00 C ATOM 1090 O ALA A 74 3.909 -1.599 5.397 1.00 0.00 O ATOM 1091 CB ALA A 74 3.834 0.338 2.670 1.00 0.00 C ATOM 0 H ALA A 74 4.401 2.419 3.925 1.00 0.00 H new ATOM 0 HA ALA A 74 2.528 0.295 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.582 -0.674 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.213 1.052 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.884 0.535 2.456 1.00 0.00 H new ATOM 1097 N LEU A 75 5.655 -0.183 5.184 1.00 0.00 N ATOM 1098 CA LEU A 75 6.579 -1.027 5.907 1.00 0.00 C ATOM 1099 C LEU A 75 6.106 -1.091 7.344 1.00 0.00 C ATOM 1100 O LEU A 75 5.938 -2.166 7.912 1.00 0.00 O ATOM 1101 CB LEU A 75 8.031 -0.485 5.825 1.00 0.00 C ATOM 1102 CG LEU A 75 8.742 -0.491 4.438 1.00 0.00 C ATOM 1103 CD1 LEU A 75 8.835 -1.885 3.884 1.00 0.00 C ATOM 1104 CD2 LEU A 75 8.074 0.434 3.423 1.00 0.00 C ATOM 0 H LEU A 75 6.053 0.706 4.881 1.00 0.00 H new ATOM 0 HA LEU A 75 6.597 -2.023 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.024 0.542 6.191 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.643 -1.066 6.515 1.00 0.00 H new ATOM 0 HG LEU A 75 9.747 -0.107 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.335 -1.859 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.404 -2.512 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.833 -2.296 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.614 0.387 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.042 0.119 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.089 1.457 3.798 1.00 0.00 H new ATOM 1116 N LYS A 76 5.839 0.071 7.912 1.00 0.00 N ATOM 1117 CA LYS A 76 5.280 0.184 9.246 1.00 0.00 C ATOM 1118 C LYS A 76 3.918 -0.499 9.369 1.00 0.00 C ATOM 1119 O LYS A 76 3.557 -0.983 10.431 1.00 0.00 O ATOM 1120 CB LYS A 76 5.182 1.640 9.612 1.00 0.00 C ATOM 1121 CG LYS A 76 6.534 2.240 9.690 1.00 0.00 C ATOM 1122 CD LYS A 76 6.503 3.695 9.982 1.00 0.00 C ATOM 1123 CE LYS A 76 7.906 4.157 10.112 1.00 0.00 C ATOM 1124 NZ LYS A 76 7.987 5.596 10.428 1.00 0.00 N ATOM 0 H LYS A 76 6.005 0.969 7.457 1.00 0.00 H new ATOM 0 HA LYS A 76 5.944 -0.332 9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.584 2.169 8.871 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.672 1.748 10.569 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.108 1.731 10.464 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.055 2.075 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.995 4.235 9.183 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.949 3.889 10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.405 3.585 10.895 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.440 3.959 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.941 5.822 10.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.788 6.151 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 7.288 5.830 11.162 1.00 0.00 H new ATOM 1138 N HIS A 77 3.187 -0.575 8.266 1.00 0.00 N ATOM 1139 CA HIS A 77 1.882 -1.233 8.243 1.00 0.00 C ATOM 1140 C HIS A 77 2.072 -2.721 8.390 1.00 0.00 C ATOM 1141 O HIS A 77 1.261 -3.411 9.016 1.00 0.00 O ATOM 1142 CB HIS A 77 1.098 -0.880 6.978 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.278 -1.484 6.876 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.392 -0.912 7.431 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.713 -2.593 6.209 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.449 -1.657 7.094 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.093 -2.689 6.349 1.00 0.00 N ATOM 0 H HIS A 77 3.475 -0.187 7.368 1.00 0.00 H new ATOM 0 HA HIS A 77 1.287 -0.873 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.004 0.204 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.679 -1.196 6.112 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.411 -0.066 8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.087 -3.283 5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.465 -1.443 7.392 1.00 0.00 H new ATOM 1155 N TYR A 78 3.143 -3.213 7.822 1.00 0.00 N ATOM 1156 CA TYR A 78 3.494 -4.591 8.027 1.00 0.00 C ATOM 1157 C TYR A 78 4.038 -4.792 9.429 1.00 0.00 C ATOM 1158 O TYR A 78 3.804 -5.824 10.054 1.00 0.00 O ATOM 1159 CB TYR A 78 4.496 -5.085 7.010 1.00 0.00 C ATOM 1160 CG TYR A 78 4.793 -6.559 7.187 1.00 0.00 C ATOM 1161 CD1 TYR A 78 3.800 -7.502 6.964 1.00 0.00 C ATOM 1162 CD2 TYR A 78 6.045 -7.008 7.599 1.00 0.00 C ATOM 1163 CE1 TYR A 78 4.037 -8.842 7.142 1.00 0.00 C ATOM 1164 CE2 TYR A 78 6.289 -8.359 7.776 1.00 0.00 C ATOM 1165 CZ TYR A 78 5.277 -9.269 7.541 1.00 0.00 C ATOM 1166 OH TYR A 78 5.506 -10.612 7.708 1.00 0.00 O ATOM 0 H TYR A 78 3.778 -2.687 7.222 1.00 0.00 H new ATOM 0 HA TYR A 78 2.583 -5.176 7.900 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.112 -4.909 6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.420 -4.514 7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.822 -7.175 6.644 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.834 -6.294 7.782 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.248 -9.559 6.968 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.263 -8.699 8.095 1.00 0.00 H new ATOM 0 HH TYR A 78 6.433 -10.753 7.992 1.00 0.00 H new ATOM 1176 N LEU A 79 4.732 -3.797 9.953 1.00 0.00 N ATOM 1177 CA LEU A 79 5.300 -3.886 11.290 1.00 0.00 C ATOM 1178 C LEU A 79 4.230 -3.620 12.341 1.00 0.00 C ATOM 1179 O LEU A 79 4.469 -3.745 13.554 1.00 0.00 O ATOM 1180 CB LEU A 79 6.448 -2.880 11.436 1.00 0.00 C ATOM 1181 CG LEU A 79 7.557 -2.996 10.387 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.684 -2.018 10.661 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.068 -4.420 10.303 1.00 0.00 C ATOM 0 H LEU A 79 4.917 -2.916 9.473 1.00 0.00 H new ATOM 0 HA LEU A 79 5.689 -4.893 11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.034 -1.873 11.393 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.891 -3.001 12.424 1.00 0.00 H new ATOM 0 HG LEU A 79 7.132 -2.734 9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.454 -2.127 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.295 -1.000 10.641 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.114 -2.223 11.642 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.855 -4.480 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.467 -4.721 11.272 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.250 -5.084 10.025 1.00 0.00 H new ATOM 1195 N THR A 80 3.066 -3.247 11.865 1.00 0.00 N ATOM 1196 CA THR A 80 1.918 -3.038 12.714 1.00 0.00 C ATOM 1197 C THR A 80 1.534 -4.383 13.356 1.00 0.00 C ATOM 1198 O THR A 80 1.548 -5.410 12.680 1.00 0.00 O ATOM 1199 CB THR A 80 0.724 -2.464 11.887 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.062 -1.148 11.391 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.569 -2.390 12.698 1.00 0.00 C ATOM 0 H THR A 80 2.888 -3.079 10.875 1.00 0.00 H new ATOM 0 HA THR A 80 2.161 -2.315 13.492 1.00 0.00 H new ATOM 0 HB THR A 80 0.548 -3.148 11.057 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.032 -1.085 11.266 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.366 -1.984 12.075 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.845 -3.389 13.035 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.419 -1.744 13.563 1.00 0.00 H new ATOM 1209 N PRO A 81 1.289 -4.410 14.671 1.00 0.00 N ATOM 1210 CA PRO A 81 0.865 -5.612 15.359 1.00 0.00 C ATOM 1211 C PRO A 81 -0.536 -6.021 14.981 1.00 0.00 C ATOM 1212 O PRO A 81 -1.551 -5.470 15.428 1.00 0.00 O ATOM 1213 CB PRO A 81 0.957 -5.274 16.813 1.00 0.00 C ATOM 1214 CG PRO A 81 0.808 -3.817 16.842 1.00 0.00 C ATOM 1215 CD PRO A 81 1.440 -3.289 15.598 1.00 0.00 C ATOM 0 HA PRO A 81 1.490 -6.464 15.091 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.174 -5.768 17.389 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.911 -5.587 17.237 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.245 -3.538 16.888 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.288 -3.398 17.726 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.938 -2.392 15.236 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.487 -3.028 15.753 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.545 -6.894 14.089 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.726 -7.514 13.558 1.00 0.00 C ATOM 1225 C ARG A 82 -1.583 -9.033 13.559 1.00 0.00 C ATOM 1226 O ARG A 82 -0.505 -9.565 13.279 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.095 -6.901 12.167 1.00 0.00 C ATOM 1228 CG ARG A 82 -0.896 -6.530 11.287 1.00 0.00 C ATOM 1229 CD ARG A 82 -0.287 -7.683 10.566 1.00 0.00 C ATOM 1230 NE ARG A 82 1.176 -7.592 10.564 1.00 0.00 N ATOM 1231 CZ ARG A 82 2.011 -8.641 10.616 1.00 0.00 C ATOM 1232 NH1 ARG A 82 1.534 -9.878 10.718 1.00 0.00 N ATOM 1233 NH2 ARG A 82 3.318 -8.441 10.593 1.00 0.00 N ATOM 0 H ARG A 82 0.312 -7.241 13.659 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.576 -7.299 14.206 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.718 -7.613 11.626 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.699 -6.008 12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -1.212 -5.785 10.557 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -0.134 -6.062 11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -0.596 -8.615 11.039 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -0.654 -7.709 9.540 1.00 0.00 H new ATOM 0 HE ARG A 82 1.591 -6.661 10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 82 0.527 -10.035 10.757 1.00 0.00 H new ATOM 0 HH12 ARG A 82 2.175 -10.670 10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.688 -7.492 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.956 -9.236 10.632 1.00 0.00 H new ATOM 1247 N SER A 83 -2.648 -9.707 13.947 1.00 0.00 N ATOM 1248 CA SER A 83 -2.700 -11.154 14.032 1.00 0.00 C ATOM 1249 C SER A 83 -2.705 -11.746 12.626 1.00 0.00 C ATOM 1250 O SER A 83 -2.138 -12.823 12.379 1.00 0.00 O ATOM 1251 CB SER A 83 -3.962 -11.539 14.780 1.00 0.00 C ATOM 1252 OG SER A 83 -4.078 -10.763 15.974 1.00 0.00 O ATOM 0 H SER A 83 -3.521 -9.254 14.218 1.00 0.00 H new ATOM 0 HA SER A 83 -1.830 -11.541 14.562 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.834 -11.378 14.146 1.00 0.00 H new ATOM 0 HB3 SER A 83 -3.939 -12.600 15.027 1.00 0.00 H new ATOM 0 HG SER A 83 -4.896 -11.016 16.450 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.335 -11.017 11.712 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.324 -11.337 10.294 1.00 0.00 C ATOM 1260 C GLU A 84 -1.917 -10.992 9.792 1.00 0.00 C ATOM 1261 O GLU A 84 -1.163 -10.401 10.528 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.335 -10.447 9.576 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.765 -10.552 10.060 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.644 -9.547 9.362 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.659 -8.355 9.768 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.281 -9.888 8.375 1.00 0.00 O ATOM 0 H GLU A 84 -3.872 -10.180 11.939 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.576 -12.382 10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.013 -9.410 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.312 -10.688 8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.142 -11.559 9.878 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.802 -10.387 11.137 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.496 -11.373 8.599 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.177 -10.983 8.131 1.00 0.00 C ATOM 1275 C PRO A 85 -0.144 -9.641 7.358 1.00 0.00 C ATOM 1276 O PRO A 85 0.697 -8.800 7.636 1.00 0.00 O ATOM 1277 CB PRO A 85 0.238 -12.158 7.262 1.00 0.00 C ATOM 1278 CG PRO A 85 -1.045 -12.726 6.730 1.00 0.00 C ATOM 1279 CD PRO A 85 -2.156 -12.312 7.678 1.00 0.00 C ATOM 0 HA PRO A 85 0.503 -10.789 8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.892 -11.837 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.788 -12.901 7.840 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.241 -12.354 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -0.984 -13.812 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.981 -11.838 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.570 -13.169 8.209 1.00 0.00 H new ATOM 1287 N HIS A 86 -1.079 -9.448 6.402 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.108 -8.232 5.540 1.00 0.00 C ATOM 1289 C HIS A 86 0.236 -8.060 4.836 1.00 0.00 C ATOM 1290 O HIS A 86 0.679 -6.953 4.581 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.452 -6.953 6.363 1.00 0.00 C ATOM 1292 CG HIS A 86 -2.858 -6.910 6.901 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.716 -5.856 6.632 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.497 -7.811 7.683 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -4.845 -6.158 7.259 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.755 -7.328 7.906 1.00 0.00 N ATOM 0 H HIS A 86 -1.825 -10.114 6.203 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.892 -8.367 4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.756 -6.877 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.292 -6.078 5.733 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.089 -8.737 8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.729 -5.537 7.249 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.487 -7.773 8.460 1.00 0.00 H new ATOM 1304 N CYS A 87 0.798 -9.175 4.409 1.00 0.00 N ATOM 1305 CA CYS A 87 2.165 -9.211 3.921 1.00 0.00 C ATOM 1306 C CYS A 87 2.270 -9.016 2.443 1.00 0.00 C ATOM 1307 O CYS A 87 3.323 -9.283 1.847 1.00 0.00 O ATOM 1308 CB CYS A 87 2.795 -10.542 4.278 1.00 0.00 C ATOM 1309 SG CYS A 87 1.748 -11.979 3.918 1.00 0.00 S ATOM 0 H CYS A 87 0.323 -10.078 4.390 1.00 0.00 H new ATOM 0 HA CYS A 87 2.687 -8.382 4.399 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.734 -10.645 3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.041 -10.542 5.340 1.00 0.00 H new ATOM 0 HG CYS A 87 0.729 -11.605 3.202 1.00 0.00 H new ATOM 1315 N LEU A 88 1.222 -8.563 1.865 1.00 0.00 N ATOM 1316 CA LEU A 88 1.145 -8.403 0.455 1.00 0.00 C ATOM 1317 C LEU A 88 0.796 -7.042 0.107 1.00 0.00 C ATOM 1318 O LEU A 88 -0.233 -6.529 0.521 1.00 0.00 O ATOM 1319 CB LEU A 88 0.228 -9.423 -0.175 1.00 0.00 C ATOM 1320 CG LEU A 88 0.851 -10.761 -0.292 1.00 0.00 C ATOM 1321 CD1 LEU A 88 -0.047 -11.789 -0.882 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.123 -10.722 -1.066 1.00 0.00 C ATOM 0 H LEU A 88 0.376 -8.287 2.363 1.00 0.00 H new ATOM 0 HA LEU A 88 2.134 -8.592 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.682 -9.502 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.067 -9.077 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 88 1.061 -11.054 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.478 -12.743 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.934 -11.898 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.344 -11.481 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.544 -11.726 -1.126 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.926 -10.351 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.832 -10.061 -0.568 1.00 0.00 H new ATOM 1334 N VAL A 89 1.687 -6.432 -0.611 1.00 0.00 N ATOM 1335 CA VAL A 89 1.479 -5.107 -1.095 1.00 0.00 C ATOM 1336 C VAL A 89 1.849 -5.064 -2.561 1.00 0.00 C ATOM 1337 O VAL A 89 2.742 -5.783 -3.000 1.00 0.00 O ATOM 1338 CB VAL A 89 2.303 -4.040 -0.321 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.919 -3.979 1.146 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.781 -4.288 -0.473 1.00 0.00 C ATOM 0 H VAL A 89 2.582 -6.842 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 89 0.428 -4.862 -0.944 1.00 0.00 H new ATOM 0 HB VAL A 89 2.066 -3.071 -0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.519 -3.220 1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.863 -3.724 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.098 -4.949 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.336 -3.528 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.027 -5.274 -0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.051 -4.241 -1.528 1.00 0.00 H new ATOM 1350 N LEU A 90 1.124 -4.327 -3.318 1.00 0.00 N ATOM 1351 CA LEU A 90 1.441 -4.146 -4.700 1.00 0.00 C ATOM 1352 C LEU A 90 1.857 -2.713 -4.910 1.00 0.00 C ATOM 1353 O LEU A 90 1.397 -1.834 -4.208 1.00 0.00 O ATOM 1354 CB LEU A 90 0.221 -4.540 -5.579 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.918 -3.534 -5.670 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.677 -2.548 -6.773 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.253 -4.194 -5.839 1.00 0.00 C ATOM 0 H LEU A 90 0.291 -3.828 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 90 2.267 -4.792 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.581 -4.737 -6.589 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.184 -5.477 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.940 -3.000 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.505 -1.841 -6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.251 -2.009 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.601 -3.076 -7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.030 -3.432 -5.899 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.253 -4.785 -6.755 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.447 -4.845 -4.987 1.00 0.00 H new ATOM 1369 N SER A 91 2.700 -2.477 -5.840 1.00 0.00 N ATOM 1370 CA SER A 91 3.175 -1.154 -6.087 1.00 0.00 C ATOM 1371 C SER A 91 2.295 -0.452 -7.117 1.00 0.00 C ATOM 1372 O SER A 91 1.946 -1.017 -8.137 1.00 0.00 O ATOM 1373 CB SER A 91 4.636 -1.202 -6.546 1.00 0.00 C ATOM 1374 OG SER A 91 4.799 -1.628 -7.879 1.00 0.00 O ATOM 0 H SER A 91 3.087 -3.190 -6.458 1.00 0.00 H new ATOM 0 HA SER A 91 3.124 -0.579 -5.162 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.075 -0.210 -6.435 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.192 -1.872 -5.890 1.00 0.00 H new ATOM 0 HG SER A 91 5.569 -2.231 -7.938 1.00 0.00 H new ATOM 1380 N LEU A 92 1.956 0.768 -6.848 1.00 0.00 N ATOM 1381 CA LEU A 92 1.141 1.577 -7.744 1.00 0.00 C ATOM 1382 C LEU A 92 1.998 2.337 -8.725 1.00 0.00 C ATOM 1383 O LEU A 92 1.519 3.218 -9.431 1.00 0.00 O ATOM 1384 CB LEU A 92 0.309 2.547 -6.917 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.865 1.927 -6.191 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.431 2.876 -5.171 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.919 1.616 -7.193 1.00 0.00 C ATOM 0 H LEU A 92 2.233 1.251 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 92 0.487 0.918 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.959 3.025 -6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.064 3.333 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.530 1.026 -5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.273 2.405 -4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.662 3.126 -4.441 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.769 3.785 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.777 1.167 -6.692 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.230 2.534 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.524 0.918 -7.931 1.00 0.00 H new ATOM 1399 N ASP A 93 3.247 1.981 -8.783 1.00 0.00 N ATOM 1400 CA ASP A 93 4.199 2.700 -9.602 1.00 0.00 C ATOM 1401 C ASP A 93 4.834 1.780 -10.608 1.00 0.00 C ATOM 1402 O ASP A 93 5.143 2.179 -11.721 1.00 0.00 O ATOM 1403 CB ASP A 93 5.286 3.334 -8.721 1.00 0.00 C ATOM 1404 CG ASP A 93 4.730 4.313 -7.705 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.260 3.871 -6.630 1.00 0.00 O ATOM 1406 OD2 ASP A 93 4.762 5.544 -7.954 1.00 0.00 O ATOM 0 H ASP A 93 3.640 1.191 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 93 3.665 3.487 -10.134 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.828 2.546 -8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.006 3.849 -9.357 1.00 0.00 H new ATOM 1411 N ASN A 94 5.043 0.540 -10.210 1.00 0.00 N ATOM 1412 CA ASN A 94 5.684 -0.440 -11.093 1.00 0.00 C ATOM 1413 C ASN A 94 4.727 -1.580 -11.341 1.00 0.00 C ATOM 1414 O ASN A 94 4.919 -2.400 -12.248 1.00 0.00 O ATOM 1415 CB ASN A 94 6.942 -1.028 -10.425 1.00 0.00 C ATOM 1416 CG ASN A 94 7.792 -0.026 -9.701 1.00 0.00 C ATOM 1417 OD1 ASN A 94 7.564 0.242 -8.521 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.760 0.510 -10.350 1.00 0.00 N ATOM 0 H ASN A 94 4.784 0.181 -9.291 1.00 0.00 H new ATOM 0 HA ASN A 94 5.956 0.060 -12.022 1.00 0.00 H new ATOM 0 HB2 ASN A 94 6.635 -1.801 -9.720 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.549 -1.515 -11.188 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.372 1.183 -9.889 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.918 0.263 -11.327 1.00 0.00 H new ATOM 1425 N TRP A 95 3.703 -1.622 -10.515 1.00 0.00 N ATOM 1426 CA TRP A 95 2.730 -2.694 -10.469 1.00 0.00 C ATOM 1427 C TRP A 95 3.399 -4.004 -10.166 1.00 0.00 C ATOM 1428 O TRP A 95 3.352 -4.932 -10.963 1.00 0.00 O ATOM 1429 CB TRP A 95 1.833 -2.781 -11.715 1.00 0.00 C ATOM 1430 CG TRP A 95 0.883 -1.642 -11.842 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.023 -0.544 -12.624 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.360 -1.485 -11.146 1.00 0.00 C ATOM 1433 NE1 TRP A 95 -0.063 0.273 -12.472 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.919 -0.274 -11.564 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -1.053 -2.256 -10.215 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -2.139 0.195 -11.082 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -2.264 -1.792 -9.736 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.793 -0.576 -10.169 1.00 0.00 C ATOM 0 H TRP A 95 3.518 -0.886 -9.834 1.00 0.00 H new ATOM 0 HA TRP A 95 2.049 -2.453 -9.653 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.462 -2.820 -12.604 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.269 -3.713 -11.683 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.865 -0.344 -13.270 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -0.210 1.155 -12.962 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.651 -3.199 -9.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.551 1.135 -11.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.810 -2.381 -9.014 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.740 -0.239 -9.773 1.00 0.00 H new ATOM 1449 N SER A 96 4.108 -4.044 -9.060 1.00 0.00 N ATOM 1450 CA SER A 96 4.740 -5.257 -8.631 1.00 0.00 C ATOM 1451 C SER A 96 4.083 -5.691 -7.375 1.00 0.00 C ATOM 1452 O SER A 96 3.319 -4.943 -6.804 1.00 0.00 O ATOM 1453 CB SER A 96 6.194 -5.017 -8.312 1.00 0.00 C ATOM 1454 OG SER A 96 6.838 -4.271 -9.341 1.00 0.00 O ATOM 0 H SER A 96 4.258 -3.245 -8.444 1.00 0.00 H new ATOM 0 HA SER A 96 4.656 -6.001 -9.424 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.276 -4.481 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.702 -5.973 -8.182 1.00 0.00 H new ATOM 0 HG SER A 96 7.778 -4.131 -9.104 1.00 0.00 H new ATOM 1460 N VAL A 97 4.383 -6.859 -6.938 1.00 0.00 N ATOM 1461 CA VAL A 97 3.905 -7.321 -5.690 1.00 0.00 C ATOM 1462 C VAL A 97 5.087 -7.597 -4.794 1.00 0.00 C ATOM 1463 O VAL A 97 6.110 -8.091 -5.260 1.00 0.00 O ATOM 1464 CB VAL A 97 3.046 -8.588 -5.864 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.845 -9.274 -4.574 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.704 -8.243 -6.397 1.00 0.00 C ATOM 0 H VAL A 97 4.971 -7.524 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 97 3.271 -6.558 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 97 3.579 -9.239 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.235 -10.165 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.812 -9.562 -4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.339 -8.603 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.114 -9.152 -6.512 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.200 -7.568 -5.705 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.812 -7.755 -7.366 1.00 0.00 H new ATOM 1476 N TRP A 98 4.956 -7.276 -3.549 1.00 0.00 N ATOM 1477 CA TRP A 98 5.967 -7.558 -2.606 1.00 0.00 C ATOM 1478 C TRP A 98 5.348 -8.413 -1.544 1.00 0.00 C ATOM 1479 O TRP A 98 4.211 -8.105 -1.065 1.00 0.00 O ATOM 1480 CB TRP A 98 6.566 -6.304 -1.973 1.00 0.00 C ATOM 1481 CG TRP A 98 7.806 -6.641 -1.229 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.940 -6.890 0.108 1.00 0.00 C ATOM 1483 CD2 TRP A 98 9.081 -6.831 -1.808 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.234 -7.238 0.387 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.957 -7.198 -0.780 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.567 -6.720 -3.115 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.290 -7.465 -1.014 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.891 -6.979 -3.353 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.749 -7.353 -2.307 1.00 0.00 C ATOM 0 H TRP A 98 4.136 -6.808 -3.163 1.00 0.00 H new ATOM 0 HA TRP A 98 6.790 -8.060 -3.114 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.787 -5.569 -2.747 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.842 -5.848 -1.298 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.144 -6.822 0.835 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.600 -7.485 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.909 -6.435 -3.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.951 -7.752 -0.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 11.279 -6.894 -4.357 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.788 -7.557 -2.520 1.00 0.00 H new ATOM 1500 N CYS A 99 6.037 -9.493 -1.180 1.00 0.00 N ATOM 1501 CA CYS A 99 5.555 -10.348 -0.132 1.00 0.00 C ATOM 1502 C CYS A 99 6.563 -10.331 0.946 1.00 0.00 C ATOM 1503 O CYS A 99 7.654 -10.819 0.762 1.00 0.00 O ATOM 1504 CB CYS A 99 5.277 -11.787 -0.621 1.00 0.00 C ATOM 1505 SG CYS A 99 4.782 -12.957 0.666 1.00 0.00 S ATOM 0 H CYS A 99 6.921 -9.783 -1.599 1.00 0.00 H new ATOM 0 HA CYS A 99 4.596 -9.977 0.229 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.493 -11.751 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.174 -12.167 -1.109 1.00 0.00 H new ATOM 1510 N TYR A 100 6.193 -9.797 2.072 1.00 0.00 N ATOM 1511 CA TYR A 100 7.139 -9.584 3.171 1.00 0.00 C ATOM 1512 C TYR A 100 7.645 -10.882 3.772 1.00 0.00 C ATOM 1513 O TYR A 100 8.785 -10.964 4.240 1.00 0.00 O ATOM 1514 CB TYR A 100 6.529 -8.738 4.257 1.00 0.00 C ATOM 1515 CG TYR A 100 6.165 -7.343 3.850 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.119 -6.338 3.809 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.869 -7.027 3.535 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.782 -5.052 3.458 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.512 -5.741 3.177 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.478 -4.753 3.143 1.00 0.00 C ATOM 1521 OH TYR A 100 5.139 -3.465 2.799 1.00 0.00 O ATOM 0 H TYR A 100 5.240 -9.493 2.272 1.00 0.00 H new ATOM 0 HA TYR A 100 7.991 -9.063 2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.633 -9.238 4.625 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.229 -8.685 5.091 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.144 -6.569 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.113 -7.797 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.538 -4.281 3.430 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.487 -5.510 2.926 1.00 0.00 H new ATOM 0 HH TYR A 100 5.905 -3.028 2.371 1.00 0.00 H new ATOM 1531 N VAL A 101 6.831 -11.892 3.717 1.00 0.00 N ATOM 1532 CA VAL A 101 7.181 -13.168 4.319 1.00 0.00 C ATOM 1533 C VAL A 101 8.005 -14.020 3.330 1.00 0.00 C ATOM 1534 O VAL A 101 8.689 -14.961 3.704 1.00 0.00 O ATOM 1535 CB VAL A 101 5.913 -13.895 4.819 1.00 0.00 C ATOM 1536 CG1 VAL A 101 4.960 -14.076 3.692 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.218 -15.219 5.517 1.00 0.00 C ATOM 0 H VAL A 101 5.917 -11.870 3.264 1.00 0.00 H new ATOM 0 HA VAL A 101 7.811 -12.995 5.192 1.00 0.00 H new ATOM 0 HB VAL A 101 5.451 -13.265 5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.067 -14.589 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.682 -13.102 3.290 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.431 -14.670 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.287 -15.681 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.729 -15.887 4.824 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.856 -15.036 6.382 1.00 0.00 H new ATOM 1547 N CYS A 102 7.939 -13.658 2.060 1.00 0.00 N ATOM 1548 CA CYS A 102 8.771 -14.285 1.064 1.00 0.00 C ATOM 1549 C CYS A 102 10.034 -13.472 0.949 1.00 0.00 C ATOM 1550 O CYS A 102 11.112 -13.982 0.639 1.00 0.00 O ATOM 1551 CB CYS A 102 8.075 -14.310 -0.280 1.00 0.00 C ATOM 1552 SG CYS A 102 6.998 -15.703 -0.590 1.00 0.00 S ATOM 0 H CYS A 102 7.317 -12.934 1.701 1.00 0.00 H new ATOM 0 HA CYS A 102 8.984 -15.313 1.357 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.489 -13.396 -0.379 1.00 0.00 H new ATOM 0 HB3 CYS A 102 8.836 -14.286 -1.060 1.00 0.00 H new ATOM 1557 N ASP A 103 9.853 -12.198 1.211 1.00 0.00 N ATOM 1558 CA ASP A 103 10.888 -11.168 1.164 1.00 0.00 C ATOM 1559 C ASP A 103 11.477 -11.080 -0.233 1.00 0.00 C ATOM 1560 O ASP A 103 12.694 -11.015 -0.440 1.00 0.00 O ATOM 1561 CB ASP A 103 11.961 -11.374 2.248 1.00 0.00 C ATOM 1562 CG ASP A 103 12.907 -10.183 2.394 1.00 0.00 C ATOM 1563 OD1 ASP A 103 12.472 -9.125 2.878 1.00 0.00 O ATOM 1564 OD2 ASP A 103 14.101 -10.287 2.034 1.00 0.00 O ATOM 0 H ASP A 103 8.941 -11.825 1.476 1.00 0.00 H new ATOM 0 HA ASP A 103 10.425 -10.207 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.471 -11.560 3.204 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.543 -12.264 2.009 1.00 0.00 H new ATOM 1569 N ASN A 104 10.596 -11.063 -1.199 1.00 0.00 N ATOM 1570 CA ASN A 104 10.963 -10.924 -2.538 1.00 0.00 C ATOM 1571 C ASN A 104 9.763 -10.307 -3.268 1.00 0.00 C ATOM 1572 O ASN A 104 8.660 -10.094 -2.645 1.00 0.00 O ATOM 1573 CB ASN A 104 11.312 -12.287 -3.157 1.00 0.00 C ATOM 1574 CG ASN A 104 10.099 -13.137 -3.348 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.427 -12.900 -4.399 1.00 0.00 O flip ATOM 1576 ND2 ASN A 104 9.784 -13.988 -2.557 1.00 0.00 N flip ATOM 0 H ASN A 104 9.591 -11.149 -1.049 1.00 0.00 H new ATOM 0 HA ASN A 104 11.847 -10.293 -2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.804 -12.135 -4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 104 12.022 -12.807 -2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.352 -14.146 -1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.949 -14.551 -2.719 1.00 0.00 H new ATOM 1583 N GLU A 105 9.946 -10.085 -4.555 1.00 0.00 N ATOM 1584 CA GLU A 105 8.945 -9.554 -5.429 1.00 0.00 C ATOM 1585 C GLU A 105 8.153 -10.690 -6.064 1.00 0.00 C ATOM 1586 O GLU A 105 8.743 -11.598 -6.626 1.00 0.00 O ATOM 1587 CB GLU A 105 9.649 -8.834 -6.519 1.00 0.00 C ATOM 1588 CG GLU A 105 8.717 -7.961 -7.283 1.00 0.00 C ATOM 1589 CD GLU A 105 9.372 -7.181 -8.392 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.891 -6.070 -8.146 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.375 -7.676 -9.542 1.00 0.00 O ATOM 0 H GLU A 105 10.829 -10.279 -5.027 1.00 0.00 H new ATOM 0 HA GLU A 105 8.271 -8.903 -4.872 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.453 -8.230 -6.098 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.111 -9.554 -7.194 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.924 -8.578 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.243 -7.263 -6.593 1.00 0.00 H new ATOM 1598 N VAL A 106 6.861 -10.623 -6.032 1.00 0.00 N ATOM 1599 CA VAL A 106 6.048 -11.720 -6.492 1.00 0.00 C ATOM 1600 C VAL A 106 5.603 -11.496 -7.939 1.00 0.00 C ATOM 1601 O VAL A 106 5.484 -10.336 -8.404 1.00 0.00 O ATOM 1602 CB VAL A 106 4.829 -11.952 -5.552 1.00 0.00 C ATOM 1603 CG1 VAL A 106 4.136 -13.269 -5.862 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.295 -11.949 -4.116 1.00 0.00 C ATOM 0 H VAL A 106 6.336 -9.818 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 106 6.656 -12.625 -6.465 1.00 0.00 H new ATOM 0 HB VAL A 106 4.113 -11.146 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.289 -13.402 -5.189 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.782 -13.260 -6.893 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.839 -14.091 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.442 -12.111 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.025 -12.745 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.755 -10.988 -3.885 1.00 0.00 H new ATOM 1614 N GLN A 107 5.383 -12.602 -8.627 1.00 0.00 N ATOM 1615 CA GLN A 107 4.986 -12.671 -9.974 1.00 0.00 C ATOM 1616 C GLN A 107 3.628 -13.323 -9.931 1.00 0.00 C ATOM 1617 O GLN A 107 3.361 -14.146 -9.052 1.00 0.00 O ATOM 1618 CB GLN A 107 5.935 -13.567 -10.815 1.00 0.00 C ATOM 1619 CG GLN A 107 7.431 -13.443 -10.498 1.00 0.00 C ATOM 1620 CD GLN A 107 7.834 -14.239 -9.260 1.00 0.00 C ATOM 1621 OE1 GLN A 107 7.245 -15.279 -8.961 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.777 -13.748 -8.519 1.00 0.00 N ATOM 0 H GLN A 107 5.492 -13.525 -8.207 1.00 0.00 H new ATOM 0 HA GLN A 107 4.994 -11.682 -10.432 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.639 -14.607 -10.676 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.786 -13.331 -11.869 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.010 -13.790 -11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.682 -12.393 -10.348 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.245 -12.885 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.051 -14.225 -7.660 1.00 0.00 H new ATOM 1631 N TYR A 108 2.810 -12.953 -10.820 1.00 0.00 N ATOM 1632 CA TYR A 108 1.413 -13.392 -10.863 1.00 0.00 C ATOM 1633 C TYR A 108 0.822 -13.302 -12.258 1.00 0.00 C ATOM 1634 O TYR A 108 1.296 -12.533 -13.117 1.00 0.00 O ATOM 1635 CB TYR A 108 0.572 -12.541 -9.890 1.00 0.00 C ATOM 1636 CG TYR A 108 0.841 -11.071 -10.024 1.00 0.00 C ATOM 1637 CD1 TYR A 108 0.153 -10.291 -10.929 1.00 0.00 C ATOM 1638 CD2 TYR A 108 1.829 -10.481 -9.268 1.00 0.00 C ATOM 1639 CE1 TYR A 108 0.449 -8.959 -11.075 1.00 0.00 C ATOM 1640 CE2 TYR A 108 2.125 -9.169 -9.393 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.438 -8.400 -10.300 1.00 0.00 C ATOM 1642 OH TYR A 108 1.753 -7.079 -10.446 1.00 0.00 O ATOM 0 H TYR A 108 3.062 -12.318 -11.578 1.00 0.00 H new ATOM 0 HA TYR A 108 1.391 -14.440 -10.565 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.486 -12.730 -10.070 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.782 -12.853 -8.867 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -0.628 -10.733 -11.530 1.00 0.00 H new ATOM 0 HD2 TYR A 108 2.380 -11.081 -8.559 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -0.089 -8.356 -11.791 1.00 0.00 H new ATOM 0 HE2 TYR A 108 2.898 -8.727 -8.782 1.00 0.00 H new ATOM 0 HH TYR A 108 2.698 -6.993 -10.693 1.00 0.00 H new ATOM 1652 N CYS A 109 -0.203 -14.068 -12.461 1.00 0.00 N ATOM 1653 CA CYS A 109 -0.973 -14.088 -13.673 1.00 0.00 C ATOM 1654 C CYS A 109 -2.423 -14.004 -13.235 1.00 0.00 C ATOM 1655 O CYS A 109 -2.693 -14.185 -12.048 1.00 0.00 O ATOM 1656 CB CYS A 109 -0.726 -15.401 -14.408 1.00 0.00 C ATOM 1657 SG CYS A 109 -1.198 -16.858 -13.441 1.00 0.00 S ATOM 0 H CYS A 109 -0.544 -14.726 -11.760 1.00 0.00 H new ATOM 0 HA CYS A 109 -0.707 -13.271 -14.344 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -1.285 -15.397 -15.344 1.00 0.00 H new ATOM 0 HB3 CYS A 109 0.330 -15.472 -14.668 1.00 0.00 H new ATOM 0 HG CYS A 109 -0.961 -17.933 -14.132 1.00 0.00 H new ATOM 1663 N SER A 110 -3.349 -13.789 -14.146 1.00 0.00 N ATOM 1664 CA SER A 110 -4.756 -13.645 -13.777 1.00 0.00 C ATOM 1665 C SER A 110 -5.412 -14.986 -13.388 1.00 0.00 C ATOM 1666 O SER A 110 -6.550 -15.017 -12.956 1.00 0.00 O ATOM 1667 CB SER A 110 -5.521 -12.952 -14.891 1.00 0.00 C ATOM 1668 OG SER A 110 -4.909 -11.710 -15.190 1.00 0.00 O ATOM 0 H SER A 110 -3.162 -13.709 -15.145 1.00 0.00 H new ATOM 0 HA SER A 110 -4.797 -13.022 -12.883 1.00 0.00 H new ATOM 0 HB2 SER A 110 -5.539 -13.583 -15.780 1.00 0.00 H new ATOM 0 HB3 SER A 110 -6.557 -12.795 -14.591 1.00 0.00 H new ATOM 0 HG SER A 110 -5.404 -11.266 -15.910 1.00 0.00 H new ATOM 1674 N SER A 111 -4.698 -16.087 -13.568 1.00 0.00 N ATOM 1675 CA SER A 111 -5.189 -17.362 -13.104 1.00 0.00 C ATOM 1676 C SER A 111 -5.023 -17.407 -11.578 1.00 0.00 C ATOM 1677 O SER A 111 -5.909 -17.853 -10.842 1.00 0.00 O ATOM 1678 CB SER A 111 -4.399 -18.489 -13.766 1.00 0.00 C ATOM 1679 OG SER A 111 -4.405 -18.346 -15.192 1.00 0.00 O ATOM 0 H SER A 111 -3.788 -16.118 -14.027 1.00 0.00 H new ATOM 0 HA SER A 111 -6.240 -17.489 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.372 -18.483 -13.400 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.830 -19.452 -13.491 1.00 0.00 H new ATOM 0 HG SER A 111 -3.892 -19.077 -15.596 1.00 0.00 H new ATOM 1685 N ASN A 112 -3.900 -16.877 -11.126 1.00 0.00 N ATOM 1686 CA ASN A 112 -3.572 -16.794 -9.711 1.00 0.00 C ATOM 1687 C ASN A 112 -4.421 -15.695 -9.092 1.00 0.00 C ATOM 1688 O ASN A 112 -4.631 -14.657 -9.720 1.00 0.00 O ATOM 1689 CB ASN A 112 -2.053 -16.481 -9.552 1.00 0.00 C ATOM 1690 CG ASN A 112 -1.530 -16.400 -8.100 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -2.222 -16.005 -7.179 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -0.296 -16.758 -7.906 1.00 0.00 N ATOM 0 H ASN A 112 -3.182 -16.488 -11.737 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.779 -17.738 -9.206 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -1.486 -17.248 -10.080 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.843 -15.533 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 112 0.108 -16.711 -6.970 1.00 0.00 H new ATOM 0 HD22 ASN A 112 0.269 -17.086 -8.689 1.00 0.00 H new ATOM 1699 N GLN A 113 -4.898 -15.929 -7.874 1.00 0.00 N ATOM 1700 CA GLN A 113 -5.738 -14.981 -7.119 1.00 0.00 C ATOM 1701 C GLN A 113 -5.063 -13.610 -7.041 1.00 0.00 C ATOM 1702 O GLN A 113 -5.718 -12.562 -7.117 1.00 0.00 O ATOM 1703 CB GLN A 113 -5.938 -15.498 -5.693 1.00 0.00 C ATOM 1704 CG GLN A 113 -6.841 -14.627 -4.839 1.00 0.00 C ATOM 1705 CD GLN A 113 -6.780 -14.975 -3.370 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -5.904 -14.314 -2.660 1.00 0.00 O flip ATOM 1707 NE2 GLN A 113 -7.521 -15.829 -2.883 1.00 0.00 N flip ATOM 0 H GLN A 113 -4.714 -16.795 -7.367 1.00 0.00 H new ATOM 0 HA GLN A 113 -6.696 -14.889 -7.631 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.357 -16.503 -5.738 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -4.965 -15.580 -5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.560 -13.582 -4.971 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -7.869 -14.727 -5.188 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -8.190 -16.321 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.465 -16.045 -1.888 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.754 -13.630 -6.929 1.00 0.00 N ATOM 1717 CA LEU A 114 -2.960 -12.439 -6.814 1.00 0.00 C ATOM 1718 C LEU A 114 -3.048 -11.625 -8.088 1.00 0.00 C ATOM 1719 O LEU A 114 -3.265 -10.418 -8.044 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.519 -12.855 -6.529 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.495 -11.756 -6.366 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.890 -10.824 -5.249 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.853 -12.360 -6.090 1.00 0.00 C ATOM 0 H LEU A 114 -3.207 -14.491 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.329 -11.814 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.516 -13.455 -5.619 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.190 -13.504 -7.340 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.447 -11.178 -7.289 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.140 -10.040 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.857 -10.375 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.959 -11.383 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.590 -11.566 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.807 -12.950 -5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.141 -13.003 -6.922 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.954 -12.302 -9.211 1.00 0.00 N ATOM 1736 CA GLY A 115 -3.063 -11.642 -10.471 1.00 0.00 C ATOM 1737 C GLY A 115 -4.463 -11.154 -10.692 1.00 0.00 C ATOM 1738 O GLY A 115 -4.649 -10.056 -11.175 1.00 0.00 O ATOM 0 H GLY A 115 -2.802 -13.309 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.369 -10.802 -10.509 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.780 -12.326 -11.271 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.456 -11.977 -10.312 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.885 -11.617 -10.395 1.00 0.00 C ATOM 1744 C GLN A 116 -7.143 -10.317 -9.712 1.00 0.00 C ATOM 1745 O GLN A 116 -7.788 -9.411 -10.271 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.743 -12.643 -9.670 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.620 -14.026 -10.164 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.553 -14.965 -9.441 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -9.623 -14.576 -8.981 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.165 -16.194 -9.343 1.00 0.00 N ATOM 0 H GLN A 116 -5.292 -12.912 -9.938 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.132 -11.567 -11.455 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.483 -12.628 -8.612 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.787 -12.339 -9.746 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -7.836 -14.051 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -6.592 -14.367 -10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -7.269 -16.479 -9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.755 -16.879 -8.870 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.599 -10.194 -8.526 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.856 -9.037 -7.733 1.00 0.00 C ATOM 1761 C VAL A 117 -6.074 -7.854 -8.203 1.00 0.00 C ATOM 1762 O VAL A 117 -6.616 -6.790 -8.298 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.744 -9.272 -6.225 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.557 -7.974 -5.465 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.999 -9.933 -5.775 1.00 0.00 C ATOM 0 H VAL A 117 -5.980 -10.882 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.909 -8.802 -7.889 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.872 -9.894 -6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.482 -8.185 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.645 -7.483 -5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.410 -7.320 -5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.950 -10.114 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.849 -9.288 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.118 -10.882 -6.298 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.807 -8.031 -8.503 1.00 0.00 N ATOM 1776 CA VAL A 118 -4.010 -6.934 -9.091 1.00 0.00 C ATOM 1777 C VAL A 118 -4.664 -6.419 -10.357 1.00 0.00 C ATOM 1778 O VAL A 118 -4.726 -5.231 -10.582 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.542 -7.342 -9.403 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.808 -6.230 -10.155 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.795 -7.648 -8.130 1.00 0.00 C ATOM 0 H VAL A 118 -4.297 -8.902 -8.359 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.978 -6.148 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.578 -8.233 -10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.784 -6.543 -10.359 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.320 -6.027 -11.096 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.796 -5.326 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.770 -7.931 -8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.788 -6.765 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.286 -8.469 -7.608 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.230 -7.319 -11.115 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.911 -6.983 -12.374 1.00 0.00 C ATOM 1793 C ASP A 119 -7.140 -6.161 -12.028 1.00 0.00 C ATOM 1794 O ASP A 119 -7.382 -5.077 -12.579 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.328 -8.279 -13.081 1.00 0.00 C ATOM 1796 CG ASP A 119 -7.018 -8.074 -14.402 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.330 -8.013 -15.439 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.269 -8.029 -14.433 1.00 0.00 O ATOM 0 H ASP A 119 -5.242 -8.314 -10.892 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.255 -6.418 -13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.441 -8.893 -13.240 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.991 -8.840 -12.422 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.841 -6.640 -11.029 1.00 0.00 N ATOM 1804 CA TYR A 120 -9.040 -6.004 -10.519 1.00 0.00 C ATOM 1805 C TYR A 120 -8.700 -4.603 -10.002 1.00 0.00 C ATOM 1806 O TYR A 120 -9.274 -3.608 -10.419 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.684 -6.909 -9.430 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.526 -6.194 -8.421 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.769 -5.687 -8.731 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -10.038 -6.003 -7.144 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.495 -4.998 -7.790 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.748 -5.337 -6.206 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.979 -4.825 -6.530 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.678 -4.107 -5.605 1.00 0.00 O ATOM 0 H TYR A 120 -7.593 -7.498 -10.536 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.776 -5.882 -11.314 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.298 -7.662 -9.924 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.889 -7.440 -8.905 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.176 -5.832 -9.721 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.065 -6.395 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.465 -4.595 -8.040 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.350 -5.209 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.383 -3.595 -6.053 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.695 -4.535 -9.210 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.265 -3.323 -8.578 1.00 0.00 C ATOM 1826 C VAL A 121 -6.698 -2.353 -9.603 1.00 0.00 C ATOM 1827 O VAL A 121 -6.862 -1.138 -9.480 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.217 -3.631 -7.468 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.532 -2.391 -6.990 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.867 -4.328 -6.298 1.00 0.00 C ATOM 0 H VAL A 121 -7.123 -5.344 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.130 -2.852 -8.111 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.468 -4.287 -7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.809 -2.650 -6.216 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.016 -1.916 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.271 -1.702 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.117 -4.534 -5.534 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.645 -3.689 -5.880 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.310 -5.266 -6.633 1.00 0.00 H new ATOM 1840 N ARG A 122 -6.090 -2.881 -10.619 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.568 -2.075 -11.663 1.00 0.00 C ATOM 1842 C ARG A 122 -6.702 -1.425 -12.422 1.00 0.00 C ATOM 1843 O ARG A 122 -6.582 -0.306 -12.871 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.643 -2.873 -12.557 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.943 -2.019 -13.566 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.649 -2.638 -14.023 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.048 -1.867 -15.109 1.00 0.00 N ATOM 1848 CZ ARG A 122 -0.834 -2.085 -15.615 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.078 -3.068 -15.147 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -0.378 -1.319 -16.586 1.00 0.00 N ATOM 0 H ARG A 122 -5.945 -3.883 -10.742 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.960 -1.278 -11.235 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.902 -3.385 -11.943 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.217 -3.643 -13.073 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.595 -1.864 -14.426 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.744 -1.037 -13.136 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.954 -2.694 -13.185 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -2.830 -3.660 -14.356 1.00 0.00 H new ATOM 0 HE ARG A 122 -2.597 -1.106 -15.509 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.424 -3.664 -14.395 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.850 -3.229 -15.539 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -0.954 -0.560 -16.950 1.00 0.00 H new ATOM 0 HH22 ARG A 122 0.551 -1.485 -16.973 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.822 -2.119 -12.510 1.00 0.00 N ATOM 1865 CA LYS A 123 -9.037 -1.564 -13.104 1.00 0.00 C ATOM 1866 C LYS A 123 -9.746 -0.636 -12.147 1.00 0.00 C ATOM 1867 O LYS A 123 -10.562 0.186 -12.545 1.00 0.00 O ATOM 1868 CB LYS A 123 -9.938 -2.706 -13.478 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.240 -3.565 -14.454 1.00 0.00 C ATOM 1870 CD LYS A 123 -10.075 -4.717 -14.951 1.00 0.00 C ATOM 1871 CE LYS A 123 -10.387 -5.698 -13.833 1.00 0.00 C ATOM 1872 NZ LYS A 123 -10.829 -7.007 -14.338 1.00 0.00 N ATOM 0 H LYS A 123 -7.921 -3.078 -12.176 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.772 -0.979 -13.985 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.205 -3.282 -12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.867 -2.329 -13.905 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.932 -2.957 -15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -8.332 -3.957 -13.996 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -11.005 -4.338 -15.375 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -9.546 -5.233 -15.753 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -9.500 -5.832 -13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.163 -5.279 -13.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.385 -7.492 -13.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -11.417 -6.872 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -9.998 -7.584 -14.581 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.447 -0.805 -10.882 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.997 0.092 -9.836 1.00 0.00 C ATOM 1888 C GLN A 124 -9.354 1.429 -9.922 1.00 0.00 C ATOM 1889 O GLN A 124 -10.008 2.469 -10.002 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.774 -0.402 -8.400 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.546 -1.616 -7.985 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.771 -1.831 -8.778 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.850 -1.344 -8.460 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.604 -2.574 -9.798 1.00 0.00 N ATOM 0 H GLN A 124 -8.834 -1.541 -10.531 1.00 0.00 H new ATOM 0 HA GLN A 124 -11.069 0.122 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.712 -0.613 -8.272 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.022 0.410 -7.717 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.905 -2.493 -8.075 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.815 -1.524 -6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.680 -2.949 -10.010 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.395 -2.794 -10.404 1.00 0.00 H new ATOM 1903 N ALA A 125 -8.053 1.381 -9.870 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.230 2.530 -9.912 1.00 0.00 C ATOM 1905 C ALA A 125 -7.294 3.154 -11.289 1.00 0.00 C ATOM 1906 O ALA A 125 -7.502 4.356 -11.416 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.823 2.132 -9.509 1.00 0.00 C ATOM 0 H ALA A 125 -7.531 0.508 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.577 3.288 -9.209 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.175 3.008 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.836 1.722 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.445 1.380 -10.201 1.00 0.00 H new ATOM 1913 N SER A 126 -7.199 2.301 -12.300 1.00 0.00 N ATOM 1914 CA SER A 126 -7.285 2.651 -13.719 1.00 0.00 C ATOM 1915 C SER A 126 -6.472 3.902 -14.121 1.00 0.00 C ATOM 1916 O SER A 126 -6.987 5.027 -14.054 1.00 0.00 O ATOM 1917 CB SER A 126 -8.755 2.672 -14.185 1.00 0.00 C ATOM 1918 OG SER A 126 -9.568 3.413 -13.281 1.00 0.00 O ATOM 1919 OXT SER A 126 -5.287 3.747 -14.498 1.00 0.00 O ATOM 0 H SER A 126 -7.054 1.302 -12.152 1.00 0.00 H new ATOM 0 HA SER A 126 -6.784 1.857 -14.272 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.818 3.112 -15.180 1.00 0.00 H new ATOM 0 HB3 SER A 126 -9.130 1.651 -14.263 1.00 0.00 H new ATOM 0 HG SER A 126 -9.081 4.208 -12.979 1.00 0.00 H new TER 1925 SER A 126 HETATM 1926 ZN ZN A 336 2.532 7.305 4.036 1.00 0.00 ZN HETATM 1927 ZN ZN A 337 -3.363 -4.121 5.474 1.00 0.00 ZN HETATM 1928 ZN ZN A 338 4.861 -15.143 -0.110 1.00 0.00 ZN