USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 1666 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 : A 66 ASNHD21 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : A 66 ASNHD22 : A 66 ASN OD1 : A 198 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD21 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD NoAdj : B 66 ASNHD22 : B 66 ASN OD1 : B 200 CACA :(metal ligand) USER MOD Set 1.1: B 39 LYS NZ :NH3+ -161:sc= 1.22 (180deg=-0.257) USER MOD Set 1.2: B 43 THR OG1 : rot 76:sc= 1.56 USER MOD Set 2.1: A 85 LYS NZ :NH3+ -177:sc= 2.39 (180deg=1.1) USER MOD Set 2.2: B 74 ASN : amide:sc= 1.03 K(o=3.4,f=-9.5!) USER MOD Set 3.1: A 61 LYS NZ :NH3+ 170:sc= 2.22 (180deg=0.818) USER MOD Set 3.2: A 67 GLN : amide:sc= 1.06 K(o=3.3,f=-9.2!) USER MOD Set 4.1: A 39 LYS NZ :NH3+ 167:sc= 2.19 (180deg=0.774) USER MOD Set 4.2: A 43 THR OG1 : rot 79:sc= 1.67 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -128:sc= 0.361 (180deg=-0.0397) USER MOD Single : A 7 THR OG1 : rot 96:sc= 1.23 USER MOD Single : A 12 SER OG : rot -9:sc= 0.403 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 91:sc= 1.03 USER MOD Single : A 22 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0.151 K(o=0.15,f=-5.7!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 34:sc= -0.153 USER MOD Single : A 34 SER OG : rot -166:sc= 1.13 USER MOD Single : A 36 ASN : amide:sc= 1.18 K(o=1.2,f=-0.14) USER MOD Single : A 44 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 45 GLN : amide:sc= 1.08 K(o=1.1,f=-0.17) USER MOD Single : A 48 HIS : no HE2:sc= 0.718 K(o=0.72,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.828 (180deg=0.0602) USER MOD Single : A 55 SER OG : rot 86:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ 138:sc= 2.19 (180deg=1.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 101:sc= 1.21 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= 1.01 (180deg=-0.105) USER MOD Single : A 74 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.0058) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.407) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 155:sc= 1.99 (180deg=-0.803!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 149:sc= 1.14 (180deg=-0.678) USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= 1.26 (180deg=1.19) USER MOD Single : B 1 MET CE :methyl -171:sc= 0 (180deg=-0.0771) USER MOD Single : B 1 MET N :NH3+ -161:sc= 0.0912 (180deg=-2.1!) USER MOD Single : B 7 THR OG1 : rot 180:sc= -0.181 USER MOD Single : B 12 SER OG : rot -80:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 82:sc= 1.23 USER MOD Single : B 22 THR OG1 : rot 76:sc= 1.18 USER MOD Single : B 26 GLN : amide:sc= 1.95 K(o=2,f=-0.16) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0.0846 USER MOD Single : B 34 SER OG : rot 90:sc= 1.22 USER MOD Single : B 36 ASN : amide:sc= 0.76 K(o=0.76,f=-0.032) USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= 0.463 K(o=0.46,f=-6.8!) USER MOD Single : B 48 HIS : no HE2:sc= -0.498 K(o=-0.5,f=-2!) USER MOD Single : B 51 LYS NZ :NH3+ -167:sc= 1.02 (180deg=0.959) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ -175:sc= 2.19 (180deg=1.94) USER MOD Single : B 60 MET CE :methyl 174:sc= 0 (180deg=-0.0446) USER MOD Single : B 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : B 62 SER OG : rot 78:sc= 1.1 USER MOD Single : B 67 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 177:sc= 0.714 (180deg=0.245) USER MOD Single : B 76 TYR OH : rot 130:sc= 0 USER MOD Single : B 85 LYS NZ :NH3+ -139:sc= 0.859 (180deg=-0.723!) USER MOD Single : B 89 LYS NZ :NH3+ -154:sc= 1.45 (180deg=0.852!) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 91 LYS NZ :NH3+ 158:sc= 0.779 (180deg=-0.0452) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.11) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.474 -21.225 -19.924 1.00 5.81 N ATOM 2 CA MET A 1 10.610 -21.301 -21.118 1.00 4.34 C ATOM 3 C MET A 1 9.873 -19.966 -21.180 1.00 3.19 C ATOM 4 O MET A 1 10.320 -19.046 -20.500 1.00 3.79 O ATOM 5 CB MET A 1 9.668 -22.518 -21.064 1.00 4.39 C ATOM 6 CG MET A 1 10.400 -23.863 -21.156 1.00 5.74 C ATOM 7 SD MET A 1 9.288 -25.295 -21.120 1.00 6.74 S ATOM 8 CE MET A 1 10.471 -26.644 -21.332 1.00 8.16 C ATOM 0 H1 MET A 1 12.450 -21.470 -20.186 1.00 5.81 H new ATOM 0 H2 MET A 1 11.450 -20.259 -19.539 1.00 5.81 H new ATOM 0 H3 MET A 1 11.131 -21.893 -19.204 1.00 5.81 H new ATOM 0 HA MET A 1 11.188 -21.455 -22.029 1.00 4.34 H new ATOM 0 HB2 MET A 1 9.099 -22.486 -20.135 1.00 4.39 H new ATOM 0 HB3 MET A 1 8.949 -22.448 -21.881 1.00 4.39 H new ATOM 0 HG2 MET A 1 10.983 -23.888 -22.077 1.00 5.74 H new ATOM 0 HG3 MET A 1 11.106 -23.941 -20.330 1.00 5.74 H new ATOM 0 HE1 MET A 1 9.941 -27.596 -21.331 1.00 8.16 H new ATOM 0 HE2 MET A 1 10.996 -26.522 -22.279 1.00 8.16 H new ATOM 0 HE3 MET A 1 11.191 -26.629 -20.514 1.00 8.16 H new ATOM 20 N ALA A 2 8.788 -19.845 -21.948 1.00 2.55 N ATOM 21 CA ALA A 2 7.925 -18.675 -21.859 1.00 2.58 C ATOM 22 C ALA A 2 7.243 -18.634 -20.489 1.00 2.14 C ATOM 23 O ALA A 2 7.182 -19.649 -19.799 1.00 2.51 O ATOM 24 CB ALA A 2 6.895 -18.716 -22.992 1.00 3.61 C ATOM 0 H ALA A 2 8.491 -20.540 -22.633 1.00 2.55 H new ATOM 0 HA ALA A 2 8.519 -17.767 -21.965 1.00 2.58 H new ATOM 0 HB1 ALA A 2 6.248 -17.841 -22.927 1.00 3.61 H new ATOM 0 HB2 ALA A 2 7.410 -18.716 -23.952 1.00 3.61 H new ATOM 0 HB3 ALA A 2 6.293 -19.620 -22.904 1.00 3.61 H new ATOM 30 N ALA A 3 6.723 -17.457 -20.127 1.00 2.40 N ATOM 31 CA ALA A 3 5.981 -17.201 -18.899 1.00 2.51 C ATOM 32 C ALA A 3 6.839 -17.423 -17.649 1.00 1.95 C ATOM 33 O ALA A 3 6.733 -18.456 -16.993 1.00 2.46 O ATOM 34 CB ALA A 3 4.679 -18.014 -18.869 1.00 3.46 C ATOM 0 H ALA A 3 6.814 -16.625 -20.710 1.00 2.40 H new ATOM 0 HA ALA A 3 5.707 -16.146 -18.890 1.00 2.51 H new ATOM 0 HB1 ALA A 3 4.142 -17.807 -17.943 1.00 3.46 H new ATOM 0 HB2 ALA A 3 4.057 -17.736 -19.720 1.00 3.46 H new ATOM 0 HB3 ALA A 3 4.913 -19.077 -18.923 1.00 3.46 H new ATOM 40 N GLU A 4 7.674 -16.437 -17.308 1.00 1.62 N ATOM 41 CA GLU A 4 8.576 -16.480 -16.178 1.00 1.75 C ATOM 42 C GLU A 4 7.812 -16.127 -14.892 1.00 1.55 C ATOM 43 O GLU A 4 7.334 -14.998 -14.779 1.00 1.47 O ATOM 44 CB GLU A 4 9.718 -15.498 -16.486 1.00 2.46 C ATOM 45 CG GLU A 4 10.934 -15.805 -15.618 1.00 2.99 C ATOM 46 CD GLU A 4 11.629 -17.095 -16.046 1.00 3.84 C ATOM 47 OE1 GLU A 4 12.274 -17.066 -17.117 1.00 4.35 O ATOM 48 OE2 GLU A 4 11.473 -18.097 -15.318 1.00 4.92 O ATOM 0 H GLU A 4 7.734 -15.565 -17.834 1.00 1.62 H new ATOM 0 HA GLU A 4 8.994 -17.474 -16.018 1.00 1.75 H new ATOM 0 HB2 GLU A 4 9.989 -15.565 -17.540 1.00 2.46 H new ATOM 0 HB3 GLU A 4 9.385 -14.476 -16.307 1.00 2.46 H new ATOM 0 HG2 GLU A 4 11.640 -14.976 -15.676 1.00 2.99 H new ATOM 0 HG3 GLU A 4 10.625 -15.888 -14.576 1.00 2.99 H new ATOM 55 N PRO A 5 7.656 -17.057 -13.933 1.00 1.79 N ATOM 56 CA PRO A 5 6.907 -16.805 -12.714 1.00 1.85 C ATOM 57 C PRO A 5 7.777 -16.017 -11.731 1.00 1.80 C ATOM 58 O PRO A 5 8.604 -16.598 -11.028 1.00 1.93 O ATOM 59 CB PRO A 5 6.541 -18.195 -12.184 1.00 2.37 C ATOM 60 CG PRO A 5 7.715 -19.066 -12.635 1.00 2.60 C ATOM 61 CD PRO A 5 8.146 -18.429 -13.958 1.00 2.28 C ATOM 0 HA PRO A 5 6.011 -16.205 -12.872 1.00 1.85 H new ATOM 0 HB2 PRO A 5 6.433 -18.196 -11.099 1.00 2.37 H new ATOM 0 HB3 PRO A 5 5.597 -18.547 -12.599 1.00 2.37 H new ATOM 0 HG2 PRO A 5 8.524 -19.059 -11.904 1.00 2.60 H new ATOM 0 HG3 PRO A 5 7.415 -20.105 -12.769 1.00 2.60 H new ATOM 0 HD2 PRO A 5 9.230 -18.452 -14.065 1.00 2.28 H new ATOM 0 HD3 PRO A 5 7.730 -18.974 -14.805 1.00 2.28 H new ATOM 69 N LEU A 6 7.590 -14.698 -11.669 1.00 1.87 N ATOM 70 CA LEU A 6 8.213 -13.870 -10.643 1.00 1.95 C ATOM 71 C LEU A 6 7.463 -14.047 -9.312 1.00 1.83 C ATOM 72 O LEU A 6 6.505 -14.818 -9.231 1.00 1.82 O ATOM 73 CB LEU A 6 8.381 -12.413 -11.125 1.00 2.39 C ATOM 74 CG LEU A 6 7.335 -11.882 -12.120 1.00 1.06 C ATOM 75 CD1 LEU A 6 5.936 -11.879 -11.498 1.00 1.64 C ATOM 76 CD2 LEU A 6 7.697 -10.439 -12.506 1.00 1.92 C ATOM 0 H LEU A 6 7.006 -14.179 -12.325 1.00 1.87 H new ATOM 0 HA LEU A 6 9.234 -14.200 -10.452 1.00 1.95 H new ATOM 0 HB2 LEU A 6 8.376 -11.764 -10.249 1.00 2.39 H new ATOM 0 HB3 LEU A 6 9.365 -12.320 -11.585 1.00 2.39 H new ATOM 0 HG LEU A 6 7.333 -12.532 -12.995 1.00 1.06 H new ATOM 0 HD11 LEU A 6 5.216 -11.499 -12.223 1.00 1.64 H new ATOM 0 HD12 LEU A 6 5.662 -12.895 -11.213 1.00 1.64 H new ATOM 0 HD13 LEU A 6 5.932 -11.241 -10.614 1.00 1.64 H new ATOM 0 HD21 LEU A 6 6.960 -10.055 -13.211 1.00 1.92 H new ATOM 0 HD22 LEU A 6 7.704 -9.814 -11.613 1.00 1.92 H new ATOM 0 HD23 LEU A 6 8.684 -10.423 -12.968 1.00 1.92 H new ATOM 88 N THR A 7 7.928 -13.400 -8.240 1.00 1.81 N ATOM 89 CA THR A 7 7.392 -13.607 -6.901 1.00 1.83 C ATOM 90 C THR A 7 5.891 -13.301 -6.863 1.00 1.69 C ATOM 91 O THR A 7 5.423 -12.394 -7.540 1.00 1.66 O ATOM 92 CB THR A 7 8.164 -12.710 -5.921 1.00 1.98 C ATOM 93 OG1 THR A 7 9.552 -12.913 -6.063 1.00 3.91 O ATOM 94 CG2 THR A 7 7.778 -12.924 -4.460 1.00 1.05 C ATOM 0 H THR A 7 8.686 -12.719 -8.281 1.00 1.81 H new ATOM 0 HA THR A 7 7.515 -14.651 -6.612 1.00 1.83 H new ATOM 0 HB THR A 7 7.894 -11.686 -6.179 1.00 1.98 H new ATOM 0 HG1 THR A 7 9.922 -12.234 -6.664 1.00 3.91 H new ATOM 0 HG21 THR A 7 8.364 -12.257 -3.827 1.00 1.05 H new ATOM 0 HG22 THR A 7 6.717 -12.710 -4.329 1.00 1.05 H new ATOM 0 HG23 THR A 7 7.977 -13.958 -4.179 1.00 1.05 H new ATOM 102 N GLU A 8 5.132 -14.012 -6.031 1.00 1.81 N ATOM 103 CA GLU A 8 3.709 -13.761 -5.836 1.00 1.83 C ATOM 104 C GLU A 8 3.474 -12.289 -5.461 1.00 1.51 C ATOM 105 O GLU A 8 2.661 -11.592 -6.068 1.00 1.46 O ATOM 106 CB GLU A 8 3.246 -14.728 -4.751 1.00 2.14 C ATOM 107 CG GLU A 8 1.740 -14.814 -4.508 1.00 1.85 C ATOM 108 CD GLU A 8 1.469 -15.852 -3.423 1.00 2.20 C ATOM 109 OE1 GLU A 8 2.453 -16.205 -2.723 1.00 2.70 O ATOM 110 OE2 GLU A 8 0.299 -16.277 -3.326 1.00 2.49 O ATOM 0 H GLU A 8 5.492 -14.784 -5.470 1.00 1.81 H new ATOM 0 HA GLU A 8 3.133 -13.929 -6.746 1.00 1.83 H new ATOM 0 HB2 GLU A 8 3.607 -15.724 -5.006 1.00 2.14 H new ATOM 0 HB3 GLU A 8 3.726 -14.445 -3.815 1.00 2.14 H new ATOM 0 HG2 GLU A 8 1.352 -13.842 -4.204 1.00 1.85 H new ATOM 0 HG3 GLU A 8 1.225 -15.089 -5.429 1.00 1.85 H new ATOM 117 N LEU A 9 4.225 -11.782 -4.479 1.00 1.34 N ATOM 118 CA LEU A 9 4.185 -10.359 -4.174 1.00 1.19 C ATOM 119 C LEU A 9 4.588 -9.477 -5.373 1.00 1.08 C ATOM 120 O LEU A 9 3.932 -8.464 -5.588 1.00 0.99 O ATOM 121 CB LEU A 9 4.914 -10.050 -2.856 1.00 1.05 C ATOM 122 CG LEU A 9 3.945 -10.241 -1.669 1.00 1.05 C ATOM 123 CD1 LEU A 9 4.673 -10.509 -0.350 1.00 1.16 C ATOM 124 CD2 LEU A 9 3.067 -8.995 -1.471 1.00 1.61 C ATOM 0 H LEU A 9 4.856 -12.329 -3.894 1.00 1.34 H new ATOM 0 HA LEU A 9 3.146 -10.081 -3.997 1.00 1.19 H new ATOM 0 HB2 LEU A 9 5.776 -10.707 -2.743 1.00 1.05 H new ATOM 0 HB3 LEU A 9 5.292 -9.028 -2.869 1.00 1.05 H new ATOM 0 HG LEU A 9 3.337 -11.109 -1.923 1.00 1.05 H new ATOM 0 HD11 LEU A 9 3.943 -10.635 0.449 1.00 1.16 H new ATOM 0 HD12 LEU A 9 5.271 -11.416 -0.442 1.00 1.16 H new ATOM 0 HD13 LEU A 9 5.325 -9.667 -0.117 1.00 1.16 H new ATOM 0 HD21 LEU A 9 2.393 -9.155 -0.629 1.00 1.61 H new ATOM 0 HD22 LEU A 9 3.701 -8.131 -1.270 1.00 1.61 H new ATOM 0 HD23 LEU A 9 2.483 -8.814 -2.374 1.00 1.61 H new ATOM 136 N GLU A 10 5.601 -9.841 -6.181 1.00 1.10 N ATOM 137 CA GLU A 10 5.887 -9.158 -7.447 1.00 0.99 C ATOM 138 C GLU A 10 4.646 -9.114 -8.356 1.00 0.91 C ATOM 139 O GLU A 10 4.289 -8.040 -8.838 1.00 0.84 O ATOM 140 CB GLU A 10 7.100 -9.749 -8.188 1.00 1.17 C ATOM 141 CG GLU A 10 8.447 -9.354 -7.565 1.00 1.30 C ATOM 142 CD GLU A 10 9.613 -10.070 -8.246 1.00 1.62 C ATOM 143 OE1 GLU A 10 9.662 -11.314 -8.114 1.00 1.94 O ATOM 144 OE2 GLU A 10 10.420 -9.378 -8.900 1.00 2.62 O ATOM 0 H GLU A 10 6.237 -10.611 -5.973 1.00 1.10 H new ATOM 0 HA GLU A 10 6.153 -8.134 -7.186 1.00 0.99 H new ATOM 0 HB2 GLU A 10 7.017 -10.836 -8.197 1.00 1.17 H new ATOM 0 HB3 GLU A 10 7.078 -9.419 -9.227 1.00 1.17 H new ATOM 0 HG2 GLU A 10 8.584 -8.276 -7.646 1.00 1.30 H new ATOM 0 HG3 GLU A 10 8.442 -9.595 -6.502 1.00 1.30 H new ATOM 151 N GLU A 11 3.979 -10.255 -8.580 1.00 0.96 N ATOM 152 CA GLU A 11 2.751 -10.315 -9.369 1.00 0.91 C ATOM 153 C GLU A 11 1.768 -9.257 -8.858 1.00 0.86 C ATOM 154 O GLU A 11 1.257 -8.438 -9.624 1.00 0.82 O ATOM 155 CB GLU A 11 2.084 -11.703 -9.291 1.00 0.94 C ATOM 156 CG GLU A 11 2.880 -12.843 -9.945 1.00 2.13 C ATOM 157 CD GLU A 11 2.731 -12.904 -11.464 1.00 2.74 C ATOM 158 OE1 GLU A 11 2.040 -12.021 -12.017 1.00 2.38 O ATOM 159 OE2 GLU A 11 3.291 -13.860 -12.043 1.00 4.15 O ATOM 0 H GLU A 11 4.280 -11.160 -8.217 1.00 0.96 H new ATOM 0 HA GLU A 11 3.014 -10.125 -10.410 1.00 0.91 H new ATOM 0 HB2 GLU A 11 1.917 -11.951 -8.243 1.00 0.94 H new ATOM 0 HB3 GLU A 11 1.104 -11.646 -9.765 1.00 0.94 H new ATOM 0 HG2 GLU A 11 3.935 -12.726 -9.697 1.00 2.13 H new ATOM 0 HG3 GLU A 11 2.555 -13.792 -9.519 1.00 2.13 H new ATOM 166 N SER A 12 1.487 -9.268 -7.549 1.00 0.89 N ATOM 167 CA SER A 12 0.477 -8.382 -6.995 1.00 0.90 C ATOM 168 C SER A 12 0.899 -6.912 -7.076 1.00 0.80 C ATOM 169 O SER A 12 0.085 -6.073 -7.469 1.00 0.79 O ATOM 170 CB SER A 12 0.044 -8.828 -5.596 1.00 0.99 C ATOM 171 OG SER A 12 1.129 -8.822 -4.697 1.00 1.79 O ATOM 0 H SER A 12 1.943 -9.875 -6.868 1.00 0.89 H new ATOM 0 HA SER A 12 -0.415 -8.458 -7.617 1.00 0.90 H new ATOM 0 HB2 SER A 12 -0.740 -8.166 -5.228 1.00 0.99 H new ATOM 0 HB3 SER A 12 -0.383 -9.830 -5.647 1.00 0.99 H new ATOM 0 HG SER A 12 1.963 -8.676 -5.191 1.00 1.79 H new ATOM 177 N ILE A 13 2.152 -6.556 -6.755 1.00 0.76 N ATOM 178 CA ILE A 13 2.554 -5.168 -6.922 1.00 0.71 C ATOM 179 C ILE A 13 2.467 -4.758 -8.385 1.00 0.63 C ATOM 180 O ILE A 13 1.946 -3.681 -8.661 1.00 0.60 O ATOM 181 CB ILE A 13 3.863 -4.772 -6.217 1.00 0.77 C ATOM 182 CG1 ILE A 13 5.038 -5.725 -6.453 1.00 0.80 C ATOM 183 CG2 ILE A 13 3.560 -4.671 -4.715 1.00 0.79 C ATOM 184 CD1 ILE A 13 6.013 -5.215 -7.499 1.00 0.80 C ATOM 0 H ILE A 13 2.870 -7.184 -6.395 1.00 0.76 H new ATOM 0 HA ILE A 13 1.827 -4.567 -6.376 1.00 0.71 H new ATOM 0 HB ILE A 13 4.190 -3.824 -6.643 1.00 0.77 H new ATOM 0 HG12 ILE A 13 5.569 -5.879 -5.513 1.00 0.80 H new ATOM 0 HG13 ILE A 13 4.654 -6.696 -6.765 1.00 0.80 H new ATOM 0 HG21 ILE A 13 4.467 -4.391 -4.179 1.00 0.79 H new ATOM 0 HG22 ILE A 13 2.792 -3.915 -4.549 1.00 0.79 H new ATOM 0 HG23 ILE A 13 3.205 -5.635 -4.350 1.00 0.79 H new ATOM 0 HD11 ILE A 13 6.824 -5.933 -7.622 1.00 0.80 H new ATOM 0 HD12 ILE A 13 5.494 -5.088 -8.449 1.00 0.80 H new ATOM 0 HD13 ILE A 13 6.423 -4.257 -7.178 1.00 0.80 H new ATOM 196 N GLU A 14 2.876 -5.612 -9.329 1.00 0.65 N ATOM 197 CA GLU A 14 2.683 -5.273 -10.729 1.00 0.60 C ATOM 198 C GLU A 14 1.194 -5.042 -11.023 1.00 0.57 C ATOM 199 O GLU A 14 0.840 -4.031 -11.623 1.00 0.62 O ATOM 200 CB GLU A 14 3.320 -6.297 -11.675 1.00 0.69 C ATOM 201 CG GLU A 14 3.581 -5.596 -13.018 1.00 0.71 C ATOM 202 CD GLU A 14 4.062 -6.557 -14.093 1.00 1.88 C ATOM 203 OE1 GLU A 14 5.236 -6.969 -13.997 1.00 3.22 O ATOM 204 OE2 GLU A 14 3.253 -6.833 -15.004 1.00 2.51 O ATOM 0 H GLU A 14 3.326 -6.510 -9.153 1.00 0.65 H new ATOM 0 HA GLU A 14 3.208 -4.337 -10.922 1.00 0.60 H new ATOM 0 HB2 GLU A 14 4.251 -6.678 -11.255 1.00 0.69 H new ATOM 0 HB3 GLU A 14 2.659 -7.153 -11.813 1.00 0.69 H new ATOM 0 HG2 GLU A 14 2.665 -5.109 -13.354 1.00 0.71 H new ATOM 0 HG3 GLU A 14 4.325 -4.812 -12.876 1.00 0.71 H new ATOM 211 N THR A 15 0.311 -5.942 -10.574 1.00 0.57 N ATOM 212 CA THR A 15 -1.119 -5.860 -10.884 1.00 0.62 C ATOM 213 C THR A 15 -1.760 -4.548 -10.386 1.00 0.66 C ATOM 214 O THR A 15 -2.617 -3.969 -11.058 1.00 0.78 O ATOM 215 CB THR A 15 -1.868 -7.156 -10.490 1.00 0.80 C ATOM 216 OG1 THR A 15 -2.813 -7.484 -11.489 1.00 1.22 O ATOM 217 CG2 THR A 15 -2.633 -7.120 -9.162 1.00 0.84 C ATOM 0 H THR A 15 0.565 -6.740 -9.991 1.00 0.57 H new ATOM 0 HA THR A 15 -1.224 -5.801 -11.967 1.00 0.62 H new ATOM 0 HB THR A 15 -1.070 -7.890 -10.379 1.00 0.80 H new ATOM 0 HG1 THR A 15 -3.284 -8.306 -11.237 1.00 1.22 H new ATOM 0 HG21 THR A 15 -3.116 -8.083 -8.994 1.00 0.84 H new ATOM 0 HG22 THR A 15 -1.938 -6.916 -8.347 1.00 0.84 H new ATOM 0 HG23 THR A 15 -3.389 -6.336 -9.199 1.00 0.84 H new ATOM 225 N VAL A 16 -1.325 -4.019 -9.239 1.00 0.63 N ATOM 226 CA VAL A 16 -1.791 -2.702 -8.796 1.00 0.65 C ATOM 227 C VAL A 16 -1.036 -1.575 -9.516 1.00 0.60 C ATOM 228 O VAL A 16 -1.647 -0.572 -9.880 1.00 0.66 O ATOM 229 CB VAL A 16 -1.815 -2.541 -7.266 1.00 0.69 C ATOM 230 CG1 VAL A 16 -2.692 -3.625 -6.626 1.00 0.74 C ATOM 231 CG2 VAL A 16 -0.430 -2.564 -6.625 1.00 0.69 C ATOM 0 H VAL A 16 -0.663 -4.473 -8.610 1.00 0.63 H new ATOM 0 HA VAL A 16 -2.838 -2.623 -9.090 1.00 0.65 H new ATOM 0 HB VAL A 16 -2.235 -1.553 -7.078 1.00 0.69 H new ATOM 0 HG11 VAL A 16 -2.698 -3.496 -5.544 1.00 0.74 H new ATOM 0 HG12 VAL A 16 -3.710 -3.541 -7.007 1.00 0.74 H new ATOM 0 HG13 VAL A 16 -2.292 -4.609 -6.872 1.00 0.74 H new ATOM 0 HG21 VAL A 16 -0.527 -2.445 -5.546 1.00 0.69 H new ATOM 0 HG22 VAL A 16 0.056 -3.515 -6.843 1.00 0.69 H new ATOM 0 HG23 VAL A 16 0.171 -1.748 -7.027 1.00 0.69 H new ATOM 241 N VAL A 17 0.273 -1.724 -9.747 1.00 0.53 N ATOM 242 CA VAL A 17 1.083 -0.733 -10.451 1.00 0.50 C ATOM 243 C VAL A 17 0.518 -0.474 -11.851 1.00 0.50 C ATOM 244 O VAL A 17 0.410 0.677 -12.261 1.00 0.53 O ATOM 245 CB VAL A 17 2.567 -1.148 -10.471 1.00 0.48 C ATOM 246 CG1 VAL A 17 3.399 -0.360 -11.493 1.00 0.49 C ATOM 247 CG2 VAL A 17 3.195 -0.918 -9.087 1.00 0.53 C ATOM 0 H VAL A 17 0.801 -2.543 -9.447 1.00 0.53 H new ATOM 0 HA VAL A 17 1.035 0.212 -9.911 1.00 0.50 H new ATOM 0 HB VAL A 17 2.581 -2.201 -10.751 1.00 0.48 H new ATOM 0 HG11 VAL A 17 4.434 -0.699 -11.458 1.00 0.49 H new ATOM 0 HG12 VAL A 17 2.997 -0.524 -12.493 1.00 0.49 H new ATOM 0 HG13 VAL A 17 3.357 0.703 -11.255 1.00 0.49 H new ATOM 0 HG21 VAL A 17 4.244 -1.214 -9.110 1.00 0.53 H new ATOM 0 HG22 VAL A 17 3.121 0.137 -8.825 1.00 0.53 H new ATOM 0 HG23 VAL A 17 2.666 -1.514 -8.344 1.00 0.53 H new ATOM 257 N THR A 18 0.136 -1.514 -12.593 1.00 0.51 N ATOM 258 CA THR A 18 -0.464 -1.329 -13.905 1.00 0.55 C ATOM 259 C THR A 18 -1.768 -0.528 -13.780 1.00 0.57 C ATOM 260 O THR A 18 -1.950 0.454 -14.502 1.00 0.62 O ATOM 261 CB THR A 18 -0.597 -2.666 -14.655 1.00 0.61 C ATOM 262 OG1 THR A 18 -1.041 -2.441 -15.977 1.00 0.66 O ATOM 263 CG2 THR A 18 -1.541 -3.658 -13.980 1.00 0.63 C ATOM 0 H THR A 18 0.233 -2.488 -12.305 1.00 0.51 H new ATOM 0 HA THR A 18 0.197 -0.730 -14.531 1.00 0.55 H new ATOM 0 HB THR A 18 0.398 -3.111 -14.648 1.00 0.61 H new ATOM 0 HG1 THR A 18 -1.121 -3.298 -16.446 1.00 0.66 H new ATOM 0 HG21 THR A 18 -1.584 -4.576 -14.566 1.00 0.63 H new ATOM 0 HG22 THR A 18 -1.176 -3.884 -12.978 1.00 0.63 H new ATOM 0 HG23 THR A 18 -2.538 -3.223 -13.913 1.00 0.63 H new ATOM 271 N THR A 19 -2.648 -0.876 -12.832 1.00 0.59 N ATOM 272 CA THR A 19 -3.886 -0.152 -12.588 1.00 0.67 C ATOM 273 C THR A 19 -3.575 1.328 -12.293 1.00 0.71 C ATOM 274 O THR A 19 -4.110 2.223 -12.943 1.00 0.76 O ATOM 275 CB THR A 19 -4.674 -0.893 -11.489 1.00 0.71 C ATOM 276 OG1 THR A 19 -4.691 -2.278 -11.796 1.00 0.70 O ATOM 277 CG2 THR A 19 -6.139 -0.456 -11.413 1.00 0.86 C ATOM 0 H THR A 19 -2.513 -1.675 -12.212 1.00 0.59 H new ATOM 0 HA THR A 19 -4.532 -0.131 -13.466 1.00 0.67 H new ATOM 0 HB THR A 19 -4.181 -0.667 -10.543 1.00 0.71 H new ATOM 0 HG1 THR A 19 -3.923 -2.716 -11.373 1.00 0.70 H new ATOM 0 HG21 THR A 19 -6.644 -1.011 -10.622 1.00 0.86 H new ATOM 0 HG22 THR A 19 -6.190 0.611 -11.197 1.00 0.86 H new ATOM 0 HG23 THR A 19 -6.628 -0.657 -12.366 1.00 0.86 H new ATOM 285 N PHE A 20 -2.640 1.589 -11.373 1.00 0.70 N ATOM 286 CA PHE A 20 -2.093 2.922 -11.118 1.00 0.73 C ATOM 287 C PHE A 20 -1.698 3.612 -12.428 1.00 0.70 C ATOM 288 O PHE A 20 -2.170 4.706 -12.717 1.00 0.76 O ATOM 289 CB PHE A 20 -0.904 2.831 -10.139 1.00 0.76 C ATOM 290 CG PHE A 20 0.189 3.878 -10.311 1.00 1.14 C ATOM 291 CD1 PHE A 20 -0.054 5.222 -9.970 1.00 2.10 C ATOM 292 CD2 PHE A 20 1.407 3.531 -10.927 1.00 2.52 C ATOM 293 CE1 PHE A 20 0.886 6.214 -10.304 1.00 2.80 C ATOM 294 CE2 PHE A 20 2.325 4.527 -11.299 1.00 3.31 C ATOM 295 CZ PHE A 20 2.047 5.874 -11.020 1.00 3.07 C ATOM 0 H PHE A 20 -2.237 0.867 -10.776 1.00 0.70 H new ATOM 0 HA PHE A 20 -2.865 3.535 -10.653 1.00 0.73 H new ATOM 0 HB2 PHE A 20 -1.291 2.903 -9.122 1.00 0.76 H new ATOM 0 HB3 PHE A 20 -0.452 1.844 -10.239 1.00 0.76 H new ATOM 0 HD1 PHE A 20 -0.962 5.492 -9.452 1.00 2.10 H new ATOM 0 HD2 PHE A 20 1.637 2.493 -11.115 1.00 2.52 H new ATOM 0 HE1 PHE A 20 0.715 7.239 -10.010 1.00 2.80 H new ATOM 0 HE2 PHE A 20 3.243 4.257 -11.799 1.00 3.31 H new ATOM 0 HZ PHE A 20 2.723 6.647 -11.354 1.00 3.07 H new ATOM 305 N PHE A 21 -0.817 2.994 -13.214 1.00 0.65 N ATOM 306 CA PHE A 21 -0.172 3.640 -14.347 1.00 0.70 C ATOM 307 C PHE A 21 -1.183 3.952 -15.453 1.00 0.72 C ATOM 308 O PHE A 21 -1.230 5.071 -15.972 1.00 0.81 O ATOM 309 CB PHE A 21 0.977 2.753 -14.840 1.00 0.75 C ATOM 310 CG PHE A 21 1.939 3.433 -15.795 1.00 1.04 C ATOM 311 CD1 PHE A 21 2.738 4.500 -15.340 1.00 2.27 C ATOM 312 CD2 PHE A 21 2.151 2.905 -17.082 1.00 2.17 C ATOM 313 CE1 PHE A 21 3.777 4.998 -16.143 1.00 2.71 C ATOM 314 CE2 PHE A 21 3.193 3.401 -17.885 1.00 2.68 C ATOM 315 CZ PHE A 21 4.023 4.430 -17.405 1.00 2.40 C ATOM 0 H PHE A 21 -0.532 2.024 -13.078 1.00 0.65 H new ATOM 0 HA PHE A 21 0.243 4.599 -14.036 1.00 0.70 H new ATOM 0 HB2 PHE A 21 1.537 2.394 -13.976 1.00 0.75 H new ATOM 0 HB3 PHE A 21 0.556 1.877 -15.333 1.00 0.75 H new ATOM 0 HD1 PHE A 21 2.551 4.937 -14.370 1.00 2.27 H new ATOM 0 HD2 PHE A 21 1.512 2.117 -17.454 1.00 2.17 H new ATOM 0 HE1 PHE A 21 4.387 5.817 -15.791 1.00 2.71 H new ATOM 0 HE2 PHE A 21 3.356 2.992 -18.871 1.00 2.68 H new ATOM 0 HZ PHE A 21 4.848 4.783 -18.005 1.00 2.40 H new ATOM 325 N THR A 22 -2.022 2.968 -15.787 1.00 0.71 N ATOM 326 CA THR A 22 -3.089 3.117 -16.768 1.00 0.85 C ATOM 327 C THR A 22 -4.037 4.264 -16.398 1.00 0.88 C ATOM 328 O THR A 22 -4.596 4.901 -17.299 1.00 1.13 O ATOM 329 CB THR A 22 -3.836 1.792 -16.975 1.00 0.96 C ATOM 330 OG1 THR A 22 -4.290 1.273 -15.747 1.00 2.61 O ATOM 331 CG2 THR A 22 -2.950 0.751 -17.666 1.00 2.01 C ATOM 0 H THR A 22 -1.975 2.036 -15.376 1.00 0.71 H new ATOM 0 HA THR A 22 -2.633 3.383 -17.722 1.00 0.85 H new ATOM 0 HB THR A 22 -4.692 2.005 -17.615 1.00 0.96 H new ATOM 0 HG1 THR A 22 -3.540 0.865 -15.267 1.00 2.61 H new ATOM 0 HG21 THR A 22 -3.511 -0.175 -17.797 1.00 2.01 H new ATOM 0 HG22 THR A 22 -2.639 1.127 -18.640 1.00 2.01 H new ATOM 0 HG23 THR A 22 -2.069 0.558 -17.053 1.00 2.01 H new ATOM 339 N PHE A 23 -4.174 4.559 -15.097 1.00 0.79 N ATOM 340 CA PHE A 23 -4.792 5.788 -14.615 1.00 0.86 C ATOM 341 C PHE A 23 -3.865 6.995 -14.773 1.00 0.79 C ATOM 342 O PHE A 23 -4.240 7.978 -15.394 1.00 0.86 O ATOM 343 CB PHE A 23 -5.294 5.643 -13.170 1.00 0.94 C ATOM 344 CG PHE A 23 -6.734 5.181 -13.087 1.00 0.98 C ATOM 345 CD1 PHE A 23 -7.761 6.059 -13.476 1.00 2.12 C ATOM 346 CD2 PHE A 23 -7.051 3.872 -12.679 1.00 2.18 C ATOM 347 CE1 PHE A 23 -9.095 5.624 -13.474 1.00 2.51 C ATOM 348 CE2 PHE A 23 -8.391 3.454 -12.631 1.00 2.48 C ATOM 349 CZ PHE A 23 -9.414 4.338 -13.012 1.00 2.05 C ATOM 0 H PHE A 23 -3.854 3.942 -14.350 1.00 0.79 H new ATOM 0 HA PHE A 23 -5.664 5.972 -15.243 1.00 0.86 H new ATOM 0 HB2 PHE A 23 -4.659 4.933 -12.640 1.00 0.94 H new ATOM 0 HB3 PHE A 23 -5.196 6.601 -12.659 1.00 0.94 H new ATOM 0 HD1 PHE A 23 -7.523 7.069 -13.776 1.00 2.12 H new ATOM 0 HD2 PHE A 23 -6.263 3.188 -12.402 1.00 2.18 H new ATOM 0 HE1 PHE A 23 -9.877 6.279 -13.828 1.00 2.51 H new ATOM 0 HE2 PHE A 23 -8.634 2.455 -12.302 1.00 2.48 H new ATOM 0 HZ PHE A 23 -10.447 4.028 -12.949 1.00 2.05 H new ATOM 359 N ALA A 24 -2.656 6.934 -14.229 1.00 0.77 N ATOM 360 CA ALA A 24 -1.705 8.030 -14.083 1.00 0.81 C ATOM 361 C ALA A 24 -1.393 8.700 -15.412 1.00 0.86 C ATOM 362 O ALA A 24 -1.017 9.876 -15.435 1.00 0.91 O ATOM 363 CB ALA A 24 -0.403 7.507 -13.471 1.00 0.81 C ATOM 0 H ALA A 24 -2.289 6.060 -13.853 1.00 0.77 H new ATOM 0 HA ALA A 24 -2.164 8.772 -13.430 1.00 0.81 H new ATOM 0 HB1 ALA A 24 0.305 8.329 -13.364 1.00 0.81 H new ATOM 0 HB2 ALA A 24 -0.609 7.075 -12.492 1.00 0.81 H new ATOM 0 HB3 ALA A 24 0.024 6.744 -14.121 1.00 0.81 H new ATOM 369 N ARG A 25 -1.494 7.936 -16.497 1.00 0.90 N ATOM 370 CA ARG A 25 -1.227 8.388 -17.850 1.00 1.02 C ATOM 371 C ARG A 25 -2.332 9.284 -18.412 1.00 0.98 C ATOM 372 O ARG A 25 -2.082 9.953 -19.411 1.00 1.10 O ATOM 373 CB ARG A 25 -0.943 7.176 -18.750 1.00 1.18 C ATOM 374 CG ARG A 25 -2.155 6.241 -18.869 1.00 1.75 C ATOM 375 CD ARG A 25 -2.992 6.498 -20.126 1.00 1.86 C ATOM 376 NE ARG A 25 -4.362 5.980 -19.958 1.00 2.53 N ATOM 377 CZ ARG A 25 -5.255 5.853 -20.954 1.00 2.82 C ATOM 378 NH1 ARG A 25 -4.863 6.001 -22.224 1.00 2.87 N ATOM 379 NH2 ARG A 25 -6.539 5.596 -20.693 1.00 3.68 N ATOM 0 H ARG A 25 -1.773 6.956 -16.452 1.00 0.90 H new ATOM 0 HA ARG A 25 -0.340 9.021 -17.824 1.00 1.02 H new ATOM 0 HB2 ARG A 25 -0.656 7.523 -19.743 1.00 1.18 H new ATOM 0 HB3 ARG A 25 -0.096 6.620 -18.349 1.00 1.18 H new ATOM 0 HG2 ARG A 25 -1.809 5.207 -18.875 1.00 1.75 H new ATOM 0 HG3 ARG A 25 -2.786 6.361 -17.989 1.00 1.75 H new ATOM 0 HD2 ARG A 25 -3.026 7.568 -20.333 1.00 1.86 H new ATOM 0 HD3 ARG A 25 -2.521 6.021 -20.986 1.00 1.86 H new ATOM 0 HE ARG A 25 -4.652 5.699 -19.021 1.00 2.53 H new ATOM 0 HH11 ARG A 25 -3.887 6.210 -22.436 1.00 2.87 H new ATOM 0 HH12 ARG A 25 -5.540 5.905 -22.981 1.00 2.87 H new ATOM 0 HH21 ARG A 25 -6.853 5.494 -19.728 1.00 3.68 H new ATOM 0 HH22 ARG A 25 -7.206 5.502 -21.459 1.00 3.68 H new ATOM 393 N GLN A 26 -3.545 9.265 -17.839 1.00 0.89 N ATOM 394 CA GLN A 26 -4.680 10.024 -18.378 1.00 0.91 C ATOM 395 C GLN A 26 -4.326 11.490 -18.659 1.00 1.03 C ATOM 396 O GLN A 26 -4.341 11.949 -19.799 1.00 1.21 O ATOM 397 CB GLN A 26 -5.836 10.008 -17.367 1.00 0.78 C ATOM 398 CG GLN A 26 -7.111 9.327 -17.818 1.00 0.92 C ATOM 399 CD GLN A 26 -6.949 7.832 -18.070 1.00 1.20 C ATOM 400 OE1 GLN A 26 -7.601 7.244 -18.926 1.00 1.53 O ATOM 401 NE2 GLN A 26 -6.042 7.191 -17.351 1.00 2.64 N ATOM 0 H GLN A 26 -3.764 8.729 -16.999 1.00 0.89 H new ATOM 0 HA GLN A 26 -4.960 9.547 -19.317 1.00 0.91 H new ATOM 0 HB2 GLN A 26 -5.489 9.517 -16.458 1.00 0.78 H new ATOM 0 HB3 GLN A 26 -6.073 11.038 -17.102 1.00 0.78 H new ATOM 0 HG2 GLN A 26 -7.881 9.478 -17.061 1.00 0.92 H new ATOM 0 HG3 GLN A 26 -7.464 9.805 -18.732 1.00 0.92 H new ATOM 0 HE21 GLN A 26 -5.506 7.692 -16.642 1.00 2.64 H new ATOM 0 HE22 GLN A 26 -5.878 6.196 -17.506 1.00 2.64 H new ATOM 410 N GLU A 27 -4.085 12.220 -17.573 1.00 0.97 N ATOM 411 CA GLU A 27 -3.839 13.645 -17.522 1.00 1.10 C ATOM 412 C GLU A 27 -2.361 13.823 -17.194 1.00 1.12 C ATOM 413 O GLU A 27 -1.701 12.853 -16.801 1.00 1.43 O ATOM 414 CB GLU A 27 -4.682 14.270 -16.397 1.00 1.22 C ATOM 415 CG GLU A 27 -6.193 13.988 -16.443 1.00 1.25 C ATOM 416 CD GLU A 27 -6.825 14.426 -15.127 1.00 1.82 C ATOM 417 OE1 GLU A 27 -6.645 15.604 -14.750 1.00 2.41 O ATOM 418 OE2 GLU A 27 -7.420 13.551 -14.461 1.00 2.60 O ATOM 0 H GLU A 27 -4.056 11.795 -16.646 1.00 0.97 H new ATOM 0 HA GLU A 27 -4.100 14.123 -18.466 1.00 1.10 H new ATOM 0 HB2 GLU A 27 -4.296 13.914 -15.442 1.00 1.22 H new ATOM 0 HB3 GLU A 27 -4.534 15.350 -16.418 1.00 1.22 H new ATOM 0 HG2 GLU A 27 -6.650 14.523 -17.275 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -6.372 12.926 -16.610 1.00 1.25 H new ATOM 425 N GLY A 28 -1.880 15.069 -17.246 1.00 1.62 N ATOM 426 CA GLY A 28 -0.553 15.528 -16.839 1.00 1.95 C ATOM 427 C GLY A 28 0.286 14.487 -16.091 1.00 1.72 C ATOM 428 O GLY A 28 -0.120 14.018 -15.015 1.00 1.82 O ATOM 0 H GLY A 28 -2.451 15.837 -17.600 1.00 1.62 H new ATOM 0 HA2 GLY A 28 -0.006 15.845 -17.727 1.00 1.95 H new ATOM 0 HA3 GLY A 28 -0.667 16.407 -16.204 1.00 1.95 H new ATOM 432 N ARG A 29 1.419 14.099 -16.693 1.00 1.53 N ATOM 433 CA ARG A 29 2.439 13.257 -16.079 1.00 1.41 C ATOM 434 C ARG A 29 1.939 11.842 -15.746 1.00 1.24 C ATOM 435 O ARG A 29 1.108 11.651 -14.847 1.00 1.16 O ATOM 436 CB ARG A 29 3.157 13.967 -14.917 1.00 1.61 C ATOM 437 CG ARG A 29 4.550 14.503 -15.282 1.00 2.05 C ATOM 438 CD ARG A 29 4.501 15.697 -16.245 1.00 1.86 C ATOM 439 NE ARG A 29 5.859 16.202 -16.515 1.00 2.68 N ATOM 440 CZ ARG A 29 6.155 17.250 -17.303 1.00 3.34 C ATOM 441 NH1 ARG A 29 5.174 17.932 -17.902 1.00 3.70 N ATOM 442 NH2 ARG A 29 7.433 17.604 -17.492 1.00 4.37 N ATOM 0 H ARG A 29 1.652 14.373 -17.647 1.00 1.53 H new ATOM 0 HA ARG A 29 3.207 13.095 -16.836 1.00 1.41 H new ATOM 0 HB2 ARG A 29 2.538 14.796 -14.572 1.00 1.61 H new ATOM 0 HB3 ARG A 29 3.253 13.272 -14.083 1.00 1.61 H new ATOM 0 HG2 ARG A 29 5.069 14.800 -14.371 1.00 2.05 H new ATOM 0 HG3 ARG A 29 5.134 13.702 -15.735 1.00 2.05 H new ATOM 0 HD2 ARG A 29 4.026 15.398 -17.179 1.00 1.86 H new ATOM 0 HD3 ARG A 29 3.890 16.492 -15.817 1.00 1.86 H new ATOM 0 HE ARG A 29 6.637 15.717 -16.068 1.00 2.68 H new ATOM 0 HH11 ARG A 29 4.202 17.657 -17.761 1.00 3.70 H new ATOM 0 HH12 ARG A 29 5.397 18.727 -18.500 1.00 3.70 H new ATOM 0 HH21 ARG A 29 8.180 17.078 -17.038 1.00 4.37 H new ATOM 0 HH22 ARG A 29 7.659 18.399 -18.090 1.00 4.37 H new ATOM 456 N LYS A 30 2.392 10.845 -16.521 1.00 1.28 N ATOM 457 CA LYS A 30 2.299 9.427 -16.171 1.00 1.33 C ATOM 458 C LYS A 30 3.159 9.098 -14.937 1.00 1.41 C ATOM 459 O LYS A 30 4.071 8.277 -14.999 1.00 1.72 O ATOM 460 CB LYS A 30 2.598 8.548 -17.402 1.00 1.48 C ATOM 461 CG LYS A 30 4.003 8.666 -18.023 1.00 1.57 C ATOM 462 CD LYS A 30 4.072 7.747 -19.254 1.00 1.84 C ATOM 463 CE LYS A 30 5.501 7.533 -19.777 1.00 2.45 C ATOM 464 NZ LYS A 30 6.104 8.764 -20.328 1.00 3.61 N ATOM 0 H LYS A 30 2.840 11.008 -17.423 1.00 1.28 H new ATOM 0 HA LYS A 30 1.276 9.195 -15.875 1.00 1.33 H new ATOM 0 HB2 LYS A 30 2.438 7.507 -17.121 1.00 1.48 H new ATOM 0 HB3 LYS A 30 1.866 8.786 -18.174 1.00 1.48 H new ATOM 0 HG2 LYS A 30 4.205 9.698 -18.309 1.00 1.57 H new ATOM 0 HG3 LYS A 30 4.764 8.382 -17.296 1.00 1.57 H new ATOM 0 HD2 LYS A 30 3.637 6.780 -19.001 1.00 1.84 H new ATOM 0 HD3 LYS A 30 3.462 8.173 -20.050 1.00 1.84 H new ATOM 0 HE2 LYS A 30 6.127 7.160 -18.966 1.00 2.45 H new ATOM 0 HE3 LYS A 30 5.488 6.764 -20.549 1.00 2.45 H new ATOM 0 HZ1 LYS A 30 7.066 8.559 -20.665 1.00 3.61 H new ATOM 0 HZ2 LYS A 30 5.526 9.109 -21.121 1.00 3.61 H new ATOM 0 HZ3 LYS A 30 6.145 9.492 -19.587 1.00 3.61 H new ATOM 478 N ASP A 31 2.867 9.769 -13.819 1.00 1.40 N ATOM 479 CA ASP A 31 3.650 9.757 -12.587 1.00 1.56 C ATOM 480 C ASP A 31 2.811 10.370 -11.462 1.00 1.48 C ATOM 481 O ASP A 31 2.677 9.797 -10.381 1.00 1.72 O ATOM 482 CB ASP A 31 4.948 10.553 -12.787 1.00 1.83 C ATOM 483 CG ASP A 31 5.792 10.528 -11.525 1.00 2.98 C ATOM 484 OD1 ASP A 31 5.540 11.375 -10.644 1.00 4.46 O ATOM 485 OD2 ASP A 31 6.671 9.639 -11.448 1.00 3.34 O ATOM 0 H ASP A 31 2.040 10.361 -13.748 1.00 1.40 H new ATOM 0 HA ASP A 31 3.914 8.733 -12.322 1.00 1.56 H new ATOM 0 HB2 ASP A 31 5.514 10.132 -13.618 1.00 1.83 H new ATOM 0 HB3 ASP A 31 4.711 11.583 -13.052 1.00 1.83 H new ATOM 490 N SER A 32 2.212 11.526 -11.755 1.00 1.31 N ATOM 491 CA SER A 32 1.267 12.221 -10.906 1.00 1.23 C ATOM 492 C SER A 32 -0.152 11.852 -11.329 1.00 1.00 C ATOM 493 O SER A 32 -0.507 11.990 -12.509 1.00 1.01 O ATOM 494 CB SER A 32 1.494 13.724 -11.089 1.00 1.35 C ATOM 495 OG SER A 32 1.544 14.011 -12.473 1.00 1.80 O ATOM 0 H SER A 32 2.386 12.018 -12.632 1.00 1.31 H new ATOM 0 HA SER A 32 1.404 11.945 -9.861 1.00 1.23 H new ATOM 0 HB2 SER A 32 0.690 14.288 -10.615 1.00 1.35 H new ATOM 0 HB3 SER A 32 2.423 14.027 -10.607 1.00 1.35 H new ATOM 0 HG SER A 32 0.930 13.416 -12.953 1.00 1.80 H new ATOM 501 N LEU A 33 -0.988 11.442 -10.377 1.00 0.91 N ATOM 502 CA LEU A 33 -2.422 11.454 -10.574 1.00 0.82 C ATOM 503 C LEU A 33 -2.932 12.858 -10.250 1.00 0.86 C ATOM 504 O LEU A 33 -2.544 13.461 -9.251 1.00 1.06 O ATOM 505 CB LEU A 33 -3.142 10.383 -9.742 1.00 0.87 C ATOM 506 CG LEU A 33 -3.140 9.013 -10.433 1.00 0.87 C ATOM 507 CD1 LEU A 33 -1.800 8.299 -10.258 1.00 2.19 C ATOM 508 CD2 LEU A 33 -4.274 8.141 -9.890 1.00 2.55 C ATOM 0 H LEU A 33 -0.689 11.099 -9.464 1.00 0.91 H new ATOM 0 HA LEU A 33 -2.641 11.206 -11.612 1.00 0.82 H new ATOM 0 HB2 LEU A 33 -2.660 10.297 -8.768 1.00 0.87 H new ATOM 0 HB3 LEU A 33 -4.171 10.696 -9.562 1.00 0.87 H new ATOM 0 HG LEU A 33 -3.296 9.180 -11.499 1.00 0.87 H new ATOM 0 HD11 LEU A 33 -1.835 7.332 -10.760 1.00 2.19 H new ATOM 0 HD12 LEU A 33 -1.005 8.905 -10.693 1.00 2.19 H new ATOM 0 HD13 LEU A 33 -1.603 8.150 -9.196 1.00 2.19 H new ATOM 0 HD21 LEU A 33 -4.260 7.172 -10.390 1.00 2.55 H new ATOM 0 HD22 LEU A 33 -4.141 7.998 -8.818 1.00 2.55 H new ATOM 0 HD23 LEU A 33 -5.230 8.631 -10.075 1.00 2.55 H new ATOM 520 N SER A 34 -3.820 13.356 -11.102 1.00 0.90 N ATOM 521 CA SER A 34 -4.621 14.546 -10.873 1.00 1.06 C ATOM 522 C SER A 34 -5.800 14.152 -9.979 1.00 1.14 C ATOM 523 O SER A 34 -6.029 12.967 -9.721 1.00 1.14 O ATOM 524 CB SER A 34 -5.116 15.017 -12.247 1.00 1.50 C ATOM 525 OG SER A 34 -6.122 16.008 -12.193 1.00 2.77 O ATOM 0 H SER A 34 -4.007 12.923 -12.006 1.00 0.90 H new ATOM 0 HA SER A 34 -4.060 15.344 -10.387 1.00 1.06 H new ATOM 0 HB2 SER A 34 -4.269 15.406 -12.812 1.00 1.50 H new ATOM 0 HB3 SER A 34 -5.498 14.157 -12.797 1.00 1.50 H new ATOM 0 HG SER A 34 -6.539 16.099 -13.075 1.00 2.77 H new ATOM 531 N VAL A 35 -6.558 15.138 -9.495 1.00 1.31 N ATOM 532 CA VAL A 35 -7.745 14.871 -8.694 1.00 1.42 C ATOM 533 C VAL A 35 -8.731 14.025 -9.494 1.00 1.33 C ATOM 534 O VAL A 35 -9.330 13.099 -8.955 1.00 1.29 O ATOM 535 CB VAL A 35 -8.388 16.170 -8.178 1.00 1.67 C ATOM 536 CG1 VAL A 35 -8.909 17.093 -9.285 1.00 1.59 C ATOM 537 CG2 VAL A 35 -9.548 15.845 -7.228 1.00 3.07 C ATOM 0 H VAL A 35 -6.367 16.128 -9.646 1.00 1.31 H new ATOM 0 HA VAL A 35 -7.447 14.306 -7.811 1.00 1.42 H new ATOM 0 HB VAL A 35 -7.590 16.704 -7.662 1.00 1.67 H new ATOM 0 HG11 VAL A 35 -9.347 17.986 -8.838 1.00 1.59 H new ATOM 0 HG12 VAL A 35 -8.084 17.381 -9.937 1.00 1.59 H new ATOM 0 HG13 VAL A 35 -9.667 16.570 -9.868 1.00 1.59 H new ATOM 0 HG21 VAL A 35 -9.995 16.772 -6.869 1.00 3.07 H new ATOM 0 HG22 VAL A 35 -10.300 15.261 -7.758 1.00 3.07 H new ATOM 0 HG23 VAL A 35 -9.174 15.271 -6.380 1.00 3.07 H new ATOM 547 N ASN A 36 -8.888 14.342 -10.780 1.00 1.33 N ATOM 548 CA ASN A 36 -9.803 13.625 -11.649 1.00 1.26 C ATOM 549 C ASN A 36 -9.302 12.190 -11.834 1.00 1.18 C ATOM 550 O ASN A 36 -9.974 11.272 -11.375 1.00 1.22 O ATOM 551 CB ASN A 36 -10.027 14.424 -12.932 1.00 1.31 C ATOM 552 CG ASN A 36 -10.749 13.587 -13.983 1.00 1.30 C ATOM 553 OD1 ASN A 36 -11.973 13.556 -14.024 1.00 1.74 O ATOM 554 ND2 ASN A 36 -9.995 12.902 -14.834 1.00 1.80 N ATOM 0 H ASN A 36 -8.384 15.100 -11.240 1.00 1.33 H new ATOM 0 HA ASN A 36 -10.794 13.528 -11.207 1.00 1.26 H new ATOM 0 HB2 ASN A 36 -10.611 15.317 -12.710 1.00 1.31 H new ATOM 0 HB3 ASN A 36 -9.068 14.760 -13.327 1.00 1.31 H new ATOM 0 HD21 ASN A 36 -10.432 12.325 -15.553 1.00 1.80 H new ATOM 0 HD22 ASN A 36 -8.978 12.952 -14.769 1.00 1.80 H new ATOM 561 N GLU A 37 -8.089 11.994 -12.367 1.00 1.13 N ATOM 562 CA GLU A 37 -7.406 10.699 -12.402 1.00 1.14 C ATOM 563 C GLU A 37 -7.650 9.886 -11.128 1.00 1.11 C ATOM 564 O GLU A 37 -8.078 8.734 -11.192 1.00 1.13 O ATOM 565 CB GLU A 37 -5.893 10.945 -12.542 1.00 1.17 C ATOM 566 CG GLU A 37 -5.463 10.903 -14.005 1.00 0.84 C ATOM 567 CD GLU A 37 -4.059 11.440 -14.274 1.00 0.81 C ATOM 568 OE1 GLU A 37 -3.472 12.259 -13.535 1.00 1.92 O ATOM 569 OE2 GLU A 37 -3.405 11.038 -15.253 1.00 1.58 O ATOM 0 H GLU A 37 -7.547 12.746 -12.793 1.00 1.13 H new ATOM 0 HA GLU A 37 -7.800 10.133 -13.246 1.00 1.14 H new ATOM 0 HB2 GLU A 37 -5.638 11.914 -12.112 1.00 1.17 H new ATOM 0 HB3 GLU A 37 -5.345 10.191 -11.977 1.00 1.17 H new ATOM 0 HG2 GLU A 37 -5.516 9.872 -14.356 1.00 0.84 H new ATOM 0 HG3 GLU A 37 -6.176 11.478 -14.596 1.00 0.84 H new ATOM 576 N PHE A 38 -7.361 10.485 -9.972 1.00 1.10 N ATOM 577 CA PHE A 38 -7.578 9.836 -8.694 1.00 1.13 C ATOM 578 C PHE A 38 -9.057 9.475 -8.501 1.00 1.16 C ATOM 579 O PHE A 38 -9.370 8.321 -8.203 1.00 1.18 O ATOM 580 CB PHE A 38 -7.034 10.715 -7.559 1.00 1.22 C ATOM 581 CG PHE A 38 -7.412 10.232 -6.171 1.00 1.24 C ATOM 582 CD1 PHE A 38 -7.400 8.853 -5.881 1.00 2.50 C ATOM 583 CD2 PHE A 38 -8.031 11.123 -5.275 1.00 1.93 C ATOM 584 CE1 PHE A 38 -8.177 8.354 -4.825 1.00 2.97 C ATOM 585 CE2 PHE A 38 -8.727 10.625 -4.162 1.00 2.52 C ATOM 586 CZ PHE A 38 -8.848 9.239 -3.970 1.00 2.61 C ATOM 0 H PHE A 38 -6.973 11.426 -9.903 1.00 1.10 H new ATOM 0 HA PHE A 38 -7.027 8.896 -8.674 1.00 1.13 H new ATOM 0 HB2 PHE A 38 -5.947 10.757 -7.635 1.00 1.22 H new ATOM 0 HB3 PHE A 38 -7.403 11.732 -7.692 1.00 1.22 H new ATOM 0 HD1 PHE A 38 -6.794 8.181 -6.471 1.00 2.50 H new ATOM 0 HD2 PHE A 38 -7.971 12.188 -5.443 1.00 1.93 H new ATOM 0 HE1 PHE A 38 -8.258 7.288 -4.671 1.00 2.97 H new ATOM 0 HE2 PHE A 38 -9.170 11.308 -3.453 1.00 2.52 H new ATOM 0 HZ PHE A 38 -9.457 8.856 -3.165 1.00 2.61 H new ATOM 596 N LYS A 39 -9.977 10.430 -8.678 1.00 1.20 N ATOM 597 CA LYS A 39 -11.390 10.179 -8.439 1.00 1.27 C ATOM 598 C LYS A 39 -11.856 9.011 -9.299 1.00 1.29 C ATOM 599 O LYS A 39 -12.643 8.176 -8.853 1.00 1.29 O ATOM 600 CB LYS A 39 -12.253 11.426 -8.687 1.00 1.30 C ATOM 601 CG LYS A 39 -13.721 11.046 -8.426 1.00 1.37 C ATOM 602 CD LYS A 39 -14.677 12.234 -8.274 1.00 1.56 C ATOM 603 CE LYS A 39 -15.787 11.916 -7.255 1.00 2.10 C ATOM 604 NZ LYS A 39 -16.543 10.677 -7.545 1.00 3.84 N ATOM 0 H LYS A 39 -9.763 11.379 -8.985 1.00 1.20 H new ATOM 0 HA LYS A 39 -11.513 9.922 -7.387 1.00 1.27 H new ATOM 0 HB2 LYS A 39 -11.947 12.239 -8.029 1.00 1.30 H new ATOM 0 HB3 LYS A 39 -12.127 11.780 -9.710 1.00 1.30 H new ATOM 0 HG2 LYS A 39 -14.071 10.420 -9.247 1.00 1.37 H new ATOM 0 HG3 LYS A 39 -13.769 10.441 -7.520 1.00 1.37 H new ATOM 0 HD2 LYS A 39 -14.122 13.114 -7.951 1.00 1.56 H new ATOM 0 HD3 LYS A 39 -15.122 12.475 -9.240 1.00 1.56 H new ATOM 0 HE2 LYS A 39 -15.341 11.832 -6.264 1.00 2.10 H new ATOM 0 HE3 LYS A 39 -16.484 12.753 -7.221 1.00 2.10 H new ATOM 0 HZ1 LYS A 39 -17.112 10.415 -6.715 1.00 3.84 H new ATOM 0 HZ2 LYS A 39 -17.171 10.836 -8.359 1.00 3.84 H new ATOM 0 HZ3 LYS A 39 -15.878 9.908 -7.766 1.00 3.84 H new ATOM 618 N GLU A 40 -11.366 8.943 -10.530 1.00 1.28 N ATOM 619 CA GLU A 40 -11.784 7.922 -11.458 1.00 1.20 C ATOM 620 C GLU A 40 -11.347 6.523 -11.012 1.00 1.15 C ATOM 621 O GLU A 40 -12.006 5.553 -11.376 1.00 1.21 O ATOM 622 CB GLU A 40 -11.413 8.353 -12.883 1.00 1.04 C ATOM 623 CG GLU A 40 -12.155 9.666 -13.211 1.00 1.49 C ATOM 624 CD GLU A 40 -13.673 9.507 -13.167 1.00 3.46 C ATOM 625 OE1 GLU A 40 -14.216 8.997 -14.168 1.00 4.17 O ATOM 626 OE2 GLU A 40 -14.255 9.849 -12.110 1.00 5.02 O ATOM 0 H GLU A 40 -10.674 9.592 -10.903 1.00 1.28 H new ATOM 0 HA GLU A 40 -12.869 7.821 -11.466 1.00 1.20 H new ATOM 0 HB2 GLU A 40 -10.336 8.497 -12.966 1.00 1.04 H new ATOM 0 HB3 GLU A 40 -11.687 7.576 -13.596 1.00 1.04 H new ATOM 0 HG2 GLU A 40 -11.853 10.437 -12.502 1.00 1.49 H new ATOM 0 HG3 GLU A 40 -11.858 10.010 -14.202 1.00 1.49 H new ATOM 633 N LEU A 41 -10.348 6.391 -10.129 1.00 1.13 N ATOM 634 CA LEU A 41 -10.047 5.103 -9.514 1.00 1.13 C ATOM 635 C LEU A 41 -11.274 4.660 -8.718 1.00 1.09 C ATOM 636 O LEU A 41 -11.830 3.584 -8.941 1.00 1.04 O ATOM 637 CB LEU A 41 -8.799 5.230 -8.619 1.00 1.22 C ATOM 638 CG LEU A 41 -8.201 3.924 -8.060 1.00 1.28 C ATOM 639 CD1 LEU A 41 -9.128 3.146 -7.120 1.00 2.71 C ATOM 640 CD2 LEU A 41 -7.672 3.004 -9.162 1.00 1.72 C ATOM 0 H LEU A 41 -9.743 7.156 -9.830 1.00 1.13 H new ATOM 0 HA LEU A 41 -9.825 4.351 -10.271 1.00 1.13 H new ATOM 0 HB2 LEU A 41 -8.023 5.740 -9.190 1.00 1.22 H new ATOM 0 HB3 LEU A 41 -9.051 5.875 -7.777 1.00 1.22 H new ATOM 0 HG LEU A 41 -7.363 4.263 -7.452 1.00 1.28 H new ATOM 0 HD11 LEU A 41 -8.623 2.243 -6.777 1.00 2.71 H new ATOM 0 HD12 LEU A 41 -9.382 3.768 -6.262 1.00 2.71 H new ATOM 0 HD13 LEU A 41 -10.039 2.872 -7.652 1.00 2.71 H new ATOM 0 HD21 LEU A 41 -7.262 2.099 -8.714 1.00 1.72 H new ATOM 0 HD22 LEU A 41 -8.486 2.739 -9.836 1.00 1.72 H new ATOM 0 HD23 LEU A 41 -6.891 3.518 -9.721 1.00 1.72 H new ATOM 652 N VAL A 42 -11.710 5.521 -7.797 1.00 1.17 N ATOM 653 CA VAL A 42 -12.720 5.166 -6.815 1.00 1.26 C ATOM 654 C VAL A 42 -14.072 5.028 -7.500 1.00 1.23 C ATOM 655 O VAL A 42 -14.825 4.083 -7.265 1.00 1.35 O ATOM 656 CB VAL A 42 -12.726 6.160 -5.634 1.00 1.39 C ATOM 657 CG1 VAL A 42 -11.568 5.855 -4.675 1.00 1.64 C ATOM 658 CG2 VAL A 42 -12.680 7.640 -5.994 1.00 1.39 C ATOM 0 H VAL A 42 -11.370 6.479 -7.716 1.00 1.17 H new ATOM 0 HA VAL A 42 -12.481 4.197 -6.377 1.00 1.26 H new ATOM 0 HB VAL A 42 -13.699 6.001 -5.170 1.00 1.39 H new ATOM 0 HG11 VAL A 42 -11.585 6.564 -3.847 1.00 1.64 H new ATOM 0 HG12 VAL A 42 -11.674 4.842 -4.287 1.00 1.64 H new ATOM 0 HG13 VAL A 42 -10.621 5.942 -5.208 1.00 1.64 H new ATOM 0 HG21 VAL A 42 -12.689 8.237 -5.082 1.00 1.39 H new ATOM 0 HG22 VAL A 42 -11.770 7.850 -6.556 1.00 1.39 H new ATOM 0 HG23 VAL A 42 -13.548 7.894 -6.602 1.00 1.39 H new ATOM 668 N THR A 43 -14.351 5.991 -8.371 1.00 1.12 N ATOM 669 CA THR A 43 -15.601 6.129 -9.080 1.00 1.06 C ATOM 670 C THR A 43 -15.765 4.988 -10.089 1.00 0.96 C ATOM 671 O THR A 43 -16.855 4.430 -10.192 1.00 1.05 O ATOM 672 CB THR A 43 -15.626 7.535 -9.692 1.00 1.13 C ATOM 673 OG1 THR A 43 -15.390 8.477 -8.654 1.00 1.40 O ATOM 674 CG2 THR A 43 -16.950 7.864 -10.384 1.00 1.26 C ATOM 0 H THR A 43 -13.680 6.722 -8.606 1.00 1.12 H new ATOM 0 HA THR A 43 -16.465 6.040 -8.421 1.00 1.06 H new ATOM 0 HB THR A 43 -14.852 7.579 -10.459 1.00 1.13 H new ATOM 0 HG1 THR A 43 -14.431 8.509 -8.453 1.00 1.40 H new ATOM 0 HG21 THR A 43 -16.904 8.872 -10.796 1.00 1.26 H new ATOM 0 HG22 THR A 43 -17.127 7.150 -11.189 1.00 1.26 H new ATOM 0 HG23 THR A 43 -17.763 7.804 -9.661 1.00 1.26 H new ATOM 682 N GLN A 44 -14.705 4.616 -10.820 1.00 0.89 N ATOM 683 CA GLN A 44 -14.795 3.518 -11.773 1.00 0.93 C ATOM 684 C GLN A 44 -14.794 2.169 -11.045 1.00 0.94 C ATOM 685 O GLN A 44 -15.644 1.328 -11.329 1.00 1.01 O ATOM 686 CB GLN A 44 -13.664 3.627 -12.802 1.00 1.03 C ATOM 687 CG GLN A 44 -13.903 2.807 -14.074 1.00 1.27 C ATOM 688 CD GLN A 44 -12.793 3.084 -15.082 1.00 1.53 C ATOM 689 OE1 GLN A 44 -13.018 3.701 -16.117 1.00 2.59 O ATOM 690 NE2 GLN A 44 -11.571 2.662 -14.773 1.00 1.90 N ATOM 0 H GLN A 44 -13.787 5.058 -10.766 1.00 0.89 H new ATOM 0 HA GLN A 44 -15.739 3.583 -12.313 1.00 0.93 H new ATOM 0 HB2 GLN A 44 -13.534 4.674 -13.075 1.00 1.03 H new ATOM 0 HB3 GLN A 44 -12.732 3.300 -12.340 1.00 1.03 H new ATOM 0 HG2 GLN A 44 -13.931 1.744 -13.833 1.00 1.27 H new ATOM 0 HG3 GLN A 44 -14.871 3.062 -14.506 1.00 1.27 H new ATOM 0 HE21 GLN A 44 -11.412 2.151 -13.905 1.00 1.90 H new ATOM 0 HE22 GLN A 44 -10.792 2.850 -15.404 1.00 1.90 H new ATOM 699 N GLN A 45 -13.832 1.935 -10.141 1.00 0.97 N ATOM 700 CA GLN A 45 -13.663 0.640 -9.490 1.00 1.16 C ATOM 701 C GLN A 45 -13.092 0.774 -8.076 1.00 1.26 C ATOM 702 O GLN A 45 -11.955 0.372 -7.846 1.00 2.56 O ATOM 703 CB GLN A 45 -12.750 -0.277 -10.325 1.00 1.89 C ATOM 704 CG GLN A 45 -13.346 -0.721 -11.662 1.00 2.43 C ATOM 705 CD GLN A 45 -12.451 -1.762 -12.326 1.00 2.88 C ATOM 706 OE1 GLN A 45 -11.774 -1.462 -13.306 1.00 3.80 O ATOM 707 NE2 GLN A 45 -12.438 -2.973 -11.782 1.00 3.53 N ATOM 0 H GLN A 45 -13.155 2.638 -9.846 1.00 0.97 H new ATOM 0 HA GLN A 45 -14.656 0.197 -9.415 1.00 1.16 H new ATOM 0 HB2 GLN A 45 -11.811 0.243 -10.515 1.00 1.89 H new ATOM 0 HB3 GLN A 45 -12.511 -1.163 -9.737 1.00 1.89 H new ATOM 0 HG2 GLN A 45 -14.341 -1.136 -11.503 1.00 2.43 H new ATOM 0 HG3 GLN A 45 -13.461 0.141 -12.320 1.00 2.43 H new ATOM 0 HE21 GLN A 45 -13.019 -3.173 -10.968 1.00 3.53 H new ATOM 0 HE22 GLN A 45 -11.847 -3.704 -12.178 1.00 3.53 H new ATOM 716 N LEU A 46 -13.893 1.240 -7.110 1.00 0.95 N ATOM 717 CA LEU A 46 -13.658 0.914 -5.701 1.00 1.12 C ATOM 718 C LEU A 46 -14.947 0.987 -4.846 1.00 1.34 C ATOM 719 O LEU A 46 -14.941 1.593 -3.771 1.00 2.05 O ATOM 720 CB LEU A 46 -12.542 1.827 -5.178 1.00 1.32 C ATOM 721 CG LEU A 46 -11.654 1.093 -4.177 1.00 1.62 C ATOM 722 CD1 LEU A 46 -10.584 0.263 -4.899 1.00 1.99 C ATOM 723 CD2 LEU A 46 -10.973 2.135 -3.305 1.00 2.02 C ATOM 0 H LEU A 46 -14.702 1.838 -7.277 1.00 0.95 H new ATOM 0 HA LEU A 46 -13.339 -0.125 -5.619 1.00 1.12 H new ATOM 0 HB2 LEU A 46 -11.938 2.182 -6.013 1.00 1.32 H new ATOM 0 HB3 LEU A 46 -12.979 2.706 -4.704 1.00 1.32 H new ATOM 0 HG LEU A 46 -12.264 0.416 -3.579 1.00 1.62 H new ATOM 0 HD11 LEU A 46 -9.964 -0.250 -4.164 1.00 1.99 H new ATOM 0 HD12 LEU A 46 -11.067 -0.472 -5.543 1.00 1.99 H new ATOM 0 HD13 LEU A 46 -9.960 0.921 -5.504 1.00 1.99 H new ATOM 0 HD21 LEU A 46 -10.330 1.638 -2.578 1.00 2.02 H new ATOM 0 HD22 LEU A 46 -10.371 2.795 -3.930 1.00 2.02 H new ATOM 0 HD23 LEU A 46 -11.728 2.720 -2.781 1.00 2.02 H new ATOM 735 N PRO A 47 -16.071 0.413 -5.326 1.00 0.96 N ATOM 736 CA PRO A 47 -17.412 0.697 -4.827 1.00 1.12 C ATOM 737 C PRO A 47 -17.642 0.323 -3.361 1.00 1.36 C ATOM 738 O PRO A 47 -17.771 1.205 -2.515 1.00 1.98 O ATOM 739 CB PRO A 47 -18.376 -0.041 -5.770 1.00 1.09 C ATOM 740 CG PRO A 47 -17.514 -1.140 -6.395 1.00 1.16 C ATOM 741 CD PRO A 47 -16.161 -0.444 -6.498 1.00 0.98 C ATOM 0 HA PRO A 47 -17.578 1.774 -4.830 1.00 1.12 H new ATOM 0 HB2 PRO A 47 -19.224 -0.459 -5.227 1.00 1.09 H new ATOM 0 HB3 PRO A 47 -18.782 0.628 -6.529 1.00 1.09 H new ATOM 0 HG2 PRO A 47 -17.470 -2.032 -5.770 1.00 1.16 H new ATOM 0 HG3 PRO A 47 -17.890 -1.452 -7.369 1.00 1.16 H new ATOM 0 HD2 PRO A 47 -15.348 -1.169 -6.516 1.00 0.98 H new ATOM 0 HD3 PRO A 47 -16.089 0.139 -7.416 1.00 0.98 H new ATOM 749 N HIS A 48 -17.780 -0.971 -3.048 1.00 1.59 N ATOM 750 CA HIS A 48 -18.232 -1.396 -1.724 1.00 1.90 C ATOM 751 C HIS A 48 -17.233 -0.981 -0.641 1.00 1.78 C ATOM 752 O HIS A 48 -17.602 -0.827 0.521 1.00 2.18 O ATOM 753 CB HIS A 48 -18.497 -2.909 -1.713 1.00 2.14 C ATOM 754 CG HIS A 48 -19.127 -3.453 -0.446 1.00 2.75 C ATOM 755 ND1 HIS A 48 -19.121 -4.773 -0.057 1.00 4.16 N ATOM 756 CD2 HIS A 48 -19.854 -2.763 0.493 1.00 2.69 C ATOM 757 CE1 HIS A 48 -19.804 -4.869 1.095 1.00 4.53 C ATOM 758 NE2 HIS A 48 -20.265 -3.668 1.478 1.00 3.59 N ATOM 0 H HIS A 48 -17.585 -1.737 -3.693 1.00 1.59 H new ATOM 0 HA HIS A 48 -19.172 -0.892 -1.497 1.00 1.90 H new ATOM 0 HB2 HIS A 48 -19.146 -3.152 -2.554 1.00 2.14 H new ATOM 0 HB3 HIS A 48 -17.552 -3.427 -1.879 1.00 2.14 H new ATOM 0 HD1 HIS A 48 -18.676 -5.543 -0.556 1.00 4.16 H new ATOM 0 HD2 HIS A 48 -20.071 -1.705 0.474 1.00 2.69 H new ATOM 0 HE1 HIS A 48 -19.961 -5.788 1.640 1.00 4.53 H new ATOM 766 N LEU A 49 -15.968 -0.791 -1.017 1.00 1.57 N ATOM 767 CA LEU A 49 -14.941 -0.351 -0.101 1.00 1.41 C ATOM 768 C LEU A 49 -15.112 1.137 0.220 1.00 1.44 C ATOM 769 O LEU A 49 -15.595 1.479 1.300 1.00 1.52 O ATOM 770 CB LEU A 49 -13.590 -0.672 -0.728 1.00 1.41 C ATOM 771 CG LEU A 49 -12.468 -0.698 0.308 1.00 1.17 C ATOM 772 CD1 LEU A 49 -12.298 -2.112 0.875 1.00 1.15 C ATOM 773 CD2 LEU A 49 -11.190 -0.272 -0.395 1.00 1.14 C ATOM 0 H LEU A 49 -15.636 -0.941 -1.970 1.00 1.57 H new ATOM 0 HA LEU A 49 -15.014 -0.872 0.854 1.00 1.41 H new ATOM 0 HB2 LEU A 49 -13.643 -1.639 -1.228 1.00 1.41 H new ATOM 0 HB3 LEU A 49 -13.360 0.070 -1.492 1.00 1.41 H new ATOM 0 HG LEU A 49 -12.701 -0.027 1.135 1.00 1.17 H new ATOM 0 HD11 LEU A 49 -11.495 -2.114 1.612 1.00 1.15 H new ATOM 0 HD12 LEU A 49 -13.227 -2.428 1.350 1.00 1.15 H new ATOM 0 HD13 LEU A 49 -12.051 -2.801 0.067 1.00 1.15 H new ATOM 0 HD21 LEU A 49 -10.364 -0.279 0.316 1.00 1.14 H new ATOM 0 HD22 LEU A 49 -10.974 -0.965 -1.209 1.00 1.14 H new ATOM 0 HD23 LEU A 49 -11.314 0.733 -0.798 1.00 1.14 H new ATOM 785 N LEU A 50 -14.751 2.040 -0.700 1.00 1.56 N ATOM 786 CA LEU A 50 -14.890 3.475 -0.473 1.00 1.70 C ATOM 787 C LEU A 50 -16.203 3.939 -1.085 1.00 1.96 C ATOM 788 O LEU A 50 -16.238 4.754 -2.003 1.00 2.57 O ATOM 789 CB LEU A 50 -13.670 4.256 -0.973 1.00 1.60 C ATOM 790 CG LEU A 50 -12.404 3.993 -0.132 1.00 1.50 C ATOM 791 CD1 LEU A 50 -11.249 4.825 -0.697 1.00 1.33 C ATOM 792 CD2 LEU A 50 -12.584 4.357 1.349 1.00 1.88 C ATOM 0 H LEU A 50 -14.360 1.796 -1.610 1.00 1.56 H new ATOM 0 HA LEU A 50 -14.924 3.679 0.597 1.00 1.70 H new ATOM 0 HB2 LEU A 50 -13.473 3.987 -2.011 1.00 1.60 H new ATOM 0 HB3 LEU A 50 -13.896 5.322 -0.957 1.00 1.60 H new ATOM 0 HG LEU A 50 -12.197 2.924 -0.188 1.00 1.50 H new ATOM 0 HD11 LEU A 50 -10.349 4.645 -0.108 1.00 1.33 H new ATOM 0 HD12 LEU A 50 -11.068 4.539 -1.733 1.00 1.33 H new ATOM 0 HD13 LEU A 50 -11.507 5.883 -0.652 1.00 1.33 H new ATOM 0 HD21 LEU A 50 -11.660 4.150 1.889 1.00 1.88 H new ATOM 0 HD22 LEU A 50 -12.826 5.416 1.437 1.00 1.88 H new ATOM 0 HD23 LEU A 50 -13.394 3.763 1.774 1.00 1.88 H new ATOM 804 N LYS A 51 -17.289 3.438 -0.496 1.00 2.12 N ATOM 805 CA LYS A 51 -18.656 3.766 -0.894 1.00 2.48 C ATOM 806 C LYS A 51 -18.905 5.272 -0.891 1.00 2.69 C ATOM 807 O LYS A 51 -19.662 5.773 -1.722 1.00 4.11 O ATOM 808 CB LYS A 51 -19.721 2.992 -0.098 1.00 2.70 C ATOM 809 CG LYS A 51 -19.625 2.994 1.441 1.00 2.76 C ATOM 810 CD LYS A 51 -18.523 2.055 1.956 1.00 4.03 C ATOM 811 CE LYS A 51 -18.942 1.108 3.090 1.00 4.99 C ATOM 812 NZ LYS A 51 -19.123 1.786 4.388 1.00 5.77 N ATOM 0 H LYS A 51 -17.242 2.782 0.284 1.00 2.12 H new ATOM 0 HA LYS A 51 -18.761 3.429 -1.925 1.00 2.48 H new ATOM 0 HB2 LYS A 51 -20.697 3.393 -0.371 1.00 2.70 H new ATOM 0 HB3 LYS A 51 -19.697 1.955 -0.432 1.00 2.70 H new ATOM 0 HG2 LYS A 51 -19.428 4.008 1.790 1.00 2.76 H new ATOM 0 HG3 LYS A 51 -20.583 2.692 1.863 1.00 2.76 H new ATOM 0 HD2 LYS A 51 -18.160 1.456 1.121 1.00 4.03 H new ATOM 0 HD3 LYS A 51 -17.685 2.661 2.302 1.00 4.03 H new ATOM 0 HE2 LYS A 51 -19.874 0.614 2.814 1.00 4.99 H new ATOM 0 HE3 LYS A 51 -18.188 0.328 3.199 1.00 4.99 H new ATOM 0 HZ1 LYS A 51 -19.187 1.076 5.145 1.00 5.77 H new ATOM 0 HZ2 LYS A 51 -18.313 2.413 4.568 1.00 5.77 H new ATOM 0 HZ3 LYS A 51 -19.998 2.348 4.367 1.00 5.77 H new ATOM 826 N ASP A 52 -18.223 6.014 -0.012 1.00 2.21 N ATOM 827 CA ASP A 52 -18.099 7.449 -0.160 1.00 2.26 C ATOM 828 C ASP A 52 -17.126 7.748 -1.307 1.00 2.35 C ATOM 829 O ASP A 52 -15.999 8.210 -1.105 1.00 2.77 O ATOM 830 CB ASP A 52 -17.689 8.107 1.156 1.00 2.38 C ATOM 831 CG ASP A 52 -17.581 9.608 0.944 1.00 2.64 C ATOM 832 OD1 ASP A 52 -18.591 10.209 0.516 1.00 3.31 O ATOM 833 OD2 ASP A 52 -16.467 10.129 1.149 1.00 3.47 O ATOM 0 H ASP A 52 -17.751 5.633 0.808 1.00 2.21 H new ATOM 0 HA ASP A 52 -19.066 7.881 -0.416 1.00 2.26 H new ATOM 0 HB2 ASP A 52 -18.423 7.888 1.932 1.00 2.38 H new ATOM 0 HB3 ASP A 52 -16.735 7.705 1.497 1.00 2.38 H new ATOM 838 N VAL A 53 -17.626 7.484 -2.516 1.00 2.14 N ATOM 839 CA VAL A 53 -17.165 7.977 -3.798 1.00 2.14 C ATOM 840 C VAL A 53 -17.634 9.432 -3.990 1.00 2.13 C ATOM 841 O VAL A 53 -17.264 10.080 -4.976 1.00 2.27 O ATOM 842 CB VAL A 53 -17.715 6.986 -4.855 1.00 2.23 C ATOM 843 CG1 VAL A 53 -18.498 7.603 -6.013 1.00 2.83 C ATOM 844 CG2 VAL A 53 -16.581 6.107 -5.372 1.00 2.99 C ATOM 0 H VAL A 53 -18.431 6.867 -2.623 1.00 2.14 H new ATOM 0 HA VAL A 53 -16.079 8.016 -3.885 1.00 2.14 H new ATOM 0 HB VAL A 53 -18.461 6.392 -4.327 1.00 2.23 H new ATOM 0 HG11 VAL A 53 -18.832 6.814 -6.687 1.00 2.83 H new ATOM 0 HG12 VAL A 53 -19.364 8.138 -5.623 1.00 2.83 H new ATOM 0 HG13 VAL A 53 -17.857 8.297 -6.556 1.00 2.83 H new ATOM 0 HG21 VAL A 53 -16.970 5.411 -6.115 1.00 2.99 H new ATOM 0 HG22 VAL A 53 -15.814 6.733 -5.828 1.00 2.99 H new ATOM 0 HG23 VAL A 53 -16.147 5.548 -4.543 1.00 2.99 H new ATOM 854 N GLY A 54 -18.465 9.933 -3.059 1.00 2.14 N ATOM 855 CA GLY A 54 -19.026 11.272 -3.085 1.00 2.27 C ATOM 856 C GLY A 54 -18.054 12.270 -2.466 1.00 2.22 C ATOM 857 O GLY A 54 -17.474 13.083 -3.184 1.00 2.25 O ATOM 0 H GLY A 54 -18.766 9.392 -2.249 1.00 2.14 H new ATOM 0 HA2 GLY A 54 -19.247 11.560 -4.113 1.00 2.27 H new ATOM 0 HA3 GLY A 54 -19.970 11.288 -2.539 1.00 2.27 H new ATOM 861 N SER A 55 -17.850 12.194 -1.147 1.00 2.23 N ATOM 862 CA SER A 55 -17.016 13.110 -0.368 1.00 2.25 C ATOM 863 C SER A 55 -15.539 12.733 -0.532 1.00 2.05 C ATOM 864 O SER A 55 -14.787 12.518 0.423 1.00 2.16 O ATOM 865 CB SER A 55 -17.470 13.127 1.103 1.00 2.44 C ATOM 866 OG SER A 55 -18.835 12.762 1.225 1.00 4.15 O ATOM 0 H SER A 55 -18.277 11.466 -0.574 1.00 2.23 H new ATOM 0 HA SER A 55 -17.132 14.127 -0.742 1.00 2.25 H new ATOM 0 HB2 SER A 55 -16.854 12.440 1.684 1.00 2.44 H new ATOM 0 HB3 SER A 55 -17.319 14.122 1.521 1.00 2.44 H new ATOM 0 HG SER A 55 -18.909 11.786 1.278 1.00 4.15 H new ATOM 872 N LEU A 56 -15.125 12.634 -1.793 1.00 1.86 N ATOM 873 CA LEU A 56 -13.827 12.195 -2.245 1.00 1.81 C ATOM 874 C LEU A 56 -12.729 13.075 -1.628 1.00 2.03 C ATOM 875 O LEU A 56 -11.620 12.600 -1.386 1.00 2.06 O ATOM 876 CB LEU A 56 -13.929 12.173 -3.780 1.00 1.61 C ATOM 877 CG LEU A 56 -12.770 11.578 -4.586 1.00 1.60 C ATOM 878 CD1 LEU A 56 -11.805 12.691 -4.998 1.00 1.58 C ATOM 879 CD2 LEU A 56 -12.041 10.459 -3.861 1.00 1.64 C ATOM 0 H LEU A 56 -15.737 12.877 -2.572 1.00 1.86 H new ATOM 0 HA LEU A 56 -13.536 11.197 -1.918 1.00 1.81 H new ATOM 0 HB2 LEU A 56 -14.832 11.622 -4.043 1.00 1.61 H new ATOM 0 HB3 LEU A 56 -14.073 13.200 -4.116 1.00 1.61 H new ATOM 0 HG LEU A 56 -13.199 11.118 -5.476 1.00 1.60 H new ATOM 0 HD11 LEU A 56 -10.982 12.265 -5.571 1.00 1.58 H new ATOM 0 HD12 LEU A 56 -12.333 13.422 -5.610 1.00 1.58 H new ATOM 0 HD13 LEU A 56 -11.412 13.180 -4.107 1.00 1.58 H new ATOM 0 HD21 LEU A 56 -11.233 10.084 -4.489 1.00 1.64 H new ATOM 0 HD22 LEU A 56 -11.628 10.839 -2.927 1.00 1.64 H new ATOM 0 HD23 LEU A 56 -12.739 9.650 -3.646 1.00 1.64 H new ATOM 891 N ASP A 57 -13.071 14.316 -1.269 1.00 2.37 N ATOM 892 CA ASP A 57 -12.272 15.240 -0.475 1.00 2.94 C ATOM 893 C ASP A 57 -11.602 14.534 0.704 1.00 3.23 C ATOM 894 O ASP A 57 -10.412 14.750 0.926 1.00 3.36 O ATOM 895 CB ASP A 57 -13.107 16.425 0.057 1.00 3.59 C ATOM 896 CG ASP A 57 -14.296 16.817 -0.815 1.00 3.55 C ATOM 897 OD1 ASP A 57 -15.136 15.917 -1.054 1.00 4.50 O ATOM 898 OD2 ASP A 57 -14.332 17.990 -1.238 1.00 3.57 O ATOM 0 H ASP A 57 -13.966 14.721 -1.543 1.00 2.37 H new ATOM 0 HA ASP A 57 -11.506 15.627 -1.147 1.00 2.94 H new ATOM 0 HB2 ASP A 57 -13.473 16.175 1.053 1.00 3.59 H new ATOM 0 HB3 ASP A 57 -12.454 17.291 0.166 1.00 3.59 H new ATOM 903 N GLU A 58 -12.346 13.692 1.445 1.00 3.42 N ATOM 904 CA GLU A 58 -11.797 12.921 2.564 1.00 3.83 C ATOM 905 C GLU A 58 -10.479 12.292 2.133 1.00 3.25 C ATOM 906 O GLU A 58 -9.458 12.418 2.810 1.00 3.44 O ATOM 907 CB GLU A 58 -12.784 11.815 3.036 1.00 4.35 C ATOM 908 CG GLU A 58 -12.092 10.728 3.896 1.00 4.79 C ATOM 909 CD GLU A 58 -12.912 9.500 4.297 1.00 5.62 C ATOM 910 OE1 GLU A 58 -13.475 8.811 3.411 1.00 6.04 O ATOM 911 OE2 GLU A 58 -12.861 9.126 5.489 1.00 6.39 O ATOM 0 H GLU A 58 -13.340 13.531 1.282 1.00 3.42 H new ATOM 0 HA GLU A 58 -11.635 13.597 3.404 1.00 3.83 H new ATOM 0 HB2 GLU A 58 -13.588 12.272 3.613 1.00 4.35 H new ATOM 0 HB3 GLU A 58 -13.243 11.347 2.165 1.00 4.35 H new ATOM 0 HG2 GLU A 58 -11.214 10.380 3.352 1.00 4.79 H new ATOM 0 HG3 GLU A 58 -11.733 11.203 4.809 1.00 4.79 H new ATOM 918 N LYS A 59 -10.529 11.581 1.010 1.00 2.63 N ATOM 919 CA LYS A 59 -9.398 10.834 0.536 1.00 2.25 C ATOM 920 C LYS A 59 -8.428 11.857 -0.032 1.00 1.88 C ATOM 921 O LYS A 59 -7.362 12.040 0.538 1.00 1.69 O ATOM 922 CB LYS A 59 -9.846 9.830 -0.531 1.00 2.01 C ATOM 923 CG LYS A 59 -10.443 8.509 -0.029 1.00 2.50 C ATOM 924 CD LYS A 59 -11.716 8.593 0.828 1.00 2.41 C ATOM 925 CE LYS A 59 -12.874 9.386 0.201 1.00 3.66 C ATOM 926 NZ LYS A 59 -14.168 9.122 0.865 1.00 4.24 N ATOM 0 H LYS A 59 -11.355 11.515 0.416 1.00 2.63 H new ATOM 0 HA LYS A 59 -8.924 10.257 1.330 1.00 2.25 H new ATOM 0 HB2 LYS A 59 -10.585 10.317 -1.167 1.00 2.01 H new ATOM 0 HB3 LYS A 59 -8.987 9.597 -1.161 1.00 2.01 H new ATOM 0 HG2 LYS A 59 -10.660 7.886 -0.896 1.00 2.50 H new ATOM 0 HG3 LYS A 59 -9.679 7.992 0.551 1.00 2.50 H new ATOM 0 HD2 LYS A 59 -12.061 7.581 1.038 1.00 2.41 H new ATOM 0 HD3 LYS A 59 -11.461 9.048 1.785 1.00 2.41 H new ATOM 0 HE2 LYS A 59 -12.652 10.452 0.257 1.00 3.66 H new ATOM 0 HE3 LYS A 59 -12.953 9.132 -0.856 1.00 3.66 H new ATOM 0 HZ1 LYS A 59 -14.688 10.015 0.979 1.00 4.24 H new ATOM 0 HZ2 LYS A 59 -14.729 8.467 0.284 1.00 4.24 H new ATOM 0 HZ3 LYS A 59 -13.999 8.698 1.799 1.00 4.24 H new ATOM 940 N MET A 60 -8.821 12.578 -1.087 1.00 1.91 N ATOM 941 CA MET A 60 -7.926 13.448 -1.851 1.00 1.78 C ATOM 942 C MET A 60 -7.109 14.321 -0.913 1.00 1.87 C ATOM 943 O MET A 60 -5.880 14.326 -0.945 1.00 1.71 O ATOM 944 CB MET A 60 -8.718 14.312 -2.846 1.00 1.91 C ATOM 945 CG MET A 60 -7.804 15.233 -3.674 1.00 1.86 C ATOM 946 SD MET A 60 -7.243 16.775 -2.894 1.00 2.27 S ATOM 947 CE MET A 60 -6.037 17.341 -4.115 1.00 1.91 C ATOM 0 H MET A 60 -9.779 12.573 -1.437 1.00 1.91 H new ATOM 0 HA MET A 60 -7.243 12.819 -2.422 1.00 1.78 H new ATOM 0 HB2 MET A 60 -9.282 13.665 -3.517 1.00 1.91 H new ATOM 0 HB3 MET A 60 -9.443 14.917 -2.302 1.00 1.91 H new ATOM 0 HG2 MET A 60 -6.922 14.661 -3.962 1.00 1.86 H new ATOM 0 HG3 MET A 60 -8.330 15.492 -4.593 1.00 1.86 H new ATOM 0 HE1 MET A 60 -5.598 18.282 -3.784 1.00 1.91 H new ATOM 0 HE2 MET A 60 -5.252 16.593 -4.224 1.00 1.91 H new ATOM 0 HE3 MET A 60 -6.533 17.489 -5.074 1.00 1.91 H new ATOM 957 N LYS A 61 -7.817 15.054 -0.060 1.00 2.15 N ATOM 958 CA LYS A 61 -7.227 16.095 0.745 1.00 2.18 C ATOM 959 C LYS A 61 -6.377 15.515 1.881 1.00 2.04 C ATOM 960 O LYS A 61 -5.581 16.255 2.462 1.00 2.30 O ATOM 961 CB LYS A 61 -8.349 17.020 1.238 1.00 2.44 C ATOM 962 CG LYS A 61 -7.893 18.482 1.322 1.00 2.25 C ATOM 963 CD LYS A 61 -8.442 19.157 2.582 1.00 2.99 C ATOM 964 CE LYS A 61 -7.831 18.602 3.876 1.00 4.69 C ATOM 965 NZ LYS A 61 -6.356 18.490 3.805 1.00 5.78 N ATOM 0 H LYS A 61 -8.819 14.935 0.086 1.00 2.15 H new ATOM 0 HA LYS A 61 -6.533 16.685 0.147 1.00 2.18 H new ATOM 0 HB2 LYS A 61 -9.203 16.945 0.565 1.00 2.44 H new ATOM 0 HB3 LYS A 61 -8.687 16.689 2.220 1.00 2.44 H new ATOM 0 HG2 LYS A 61 -6.804 18.527 1.326 1.00 2.25 H new ATOM 0 HG3 LYS A 61 -8.231 19.023 0.438 1.00 2.25 H new ATOM 0 HD2 LYS A 61 -8.249 20.228 2.526 1.00 2.99 H new ATOM 0 HD3 LYS A 61 -9.524 19.029 2.614 1.00 2.99 H new ATOM 0 HE2 LYS A 61 -8.103 19.250 4.709 1.00 4.69 H new ATOM 0 HE3 LYS A 61 -8.257 17.620 4.083 1.00 4.69 H new ATOM 0 HZ1 LYS A 61 -5.978 18.274 4.750 1.00 5.78 H new ATOM 0 HZ2 LYS A 61 -6.097 17.728 3.146 1.00 5.78 H new ATOM 0 HZ3 LYS A 61 -5.955 19.389 3.469 1.00 5.78 H new ATOM 979 N SER A 62 -6.576 14.238 2.242 1.00 1.85 N ATOM 980 CA SER A 62 -5.651 13.489 3.090 1.00 1.64 C ATOM 981 C SER A 62 -4.473 12.897 2.298 1.00 1.49 C ATOM 982 O SER A 62 -3.356 12.793 2.809 1.00 1.47 O ATOM 983 CB SER A 62 -6.416 12.389 3.829 1.00 1.73 C ATOM 984 OG SER A 62 -7.462 12.958 4.589 1.00 2.17 O ATOM 0 H SER A 62 -7.390 13.697 1.949 1.00 1.85 H new ATOM 0 HA SER A 62 -5.219 14.184 3.810 1.00 1.64 H new ATOM 0 HB2 SER A 62 -6.822 11.673 3.114 1.00 1.73 H new ATOM 0 HB3 SER A 62 -5.739 11.838 4.482 1.00 1.73 H new ATOM 0 HG SER A 62 -8.310 12.851 4.110 1.00 2.17 H new ATOM 990 N LEU A 63 -4.743 12.423 1.082 1.00 1.50 N ATOM 991 CA LEU A 63 -3.812 11.693 0.237 1.00 1.54 C ATOM 992 C LEU A 63 -2.708 12.625 -0.244 1.00 1.53 C ATOM 993 O LEU A 63 -1.524 12.315 -0.120 1.00 1.55 O ATOM 994 CB LEU A 63 -4.541 11.106 -0.974 1.00 1.60 C ATOM 995 CG LEU A 63 -5.453 9.906 -0.698 1.00 1.70 C ATOM 996 CD1 LEU A 63 -6.284 9.647 -1.953 1.00 1.87 C ATOM 997 CD2 LEU A 63 -4.647 8.652 -0.399 1.00 1.92 C ATOM 0 H LEU A 63 -5.656 12.545 0.645 1.00 1.50 H new ATOM 0 HA LEU A 63 -3.377 10.882 0.821 1.00 1.54 H new ATOM 0 HB2 LEU A 63 -5.141 11.895 -1.428 1.00 1.60 H new ATOM 0 HB3 LEU A 63 -3.796 10.807 -1.711 1.00 1.60 H new ATOM 0 HG LEU A 63 -6.077 10.133 0.166 1.00 1.70 H new ATOM 0 HD11 LEU A 63 -6.943 8.796 -1.783 1.00 1.87 H new ATOM 0 HD12 LEU A 63 -6.882 10.529 -2.182 1.00 1.87 H new ATOM 0 HD13 LEU A 63 -5.621 9.431 -2.790 1.00 1.87 H new ATOM 0 HD21 LEU A 63 -5.325 7.820 -0.208 1.00 1.92 H new ATOM 0 HD22 LEU A 63 -4.013 8.414 -1.253 1.00 1.92 H new ATOM 0 HD23 LEU A 63 -4.024 8.821 0.479 1.00 1.92 H new ATOM 1009 N ASP A 64 -3.105 13.770 -0.800 1.00 1.54 N ATOM 1010 CA ASP A 64 -2.193 14.815 -1.222 1.00 1.55 C ATOM 1011 C ASP A 64 -1.644 15.501 0.030 1.00 1.79 C ATOM 1012 O ASP A 64 -2.052 16.607 0.378 1.00 1.99 O ATOM 1013 CB ASP A 64 -2.939 15.784 -2.152 1.00 1.64 C ATOM 1014 CG ASP A 64 -2.040 16.895 -2.658 1.00 1.78 C ATOM 1015 OD1 ASP A 64 -0.804 16.760 -2.523 1.00 1.83 O ATOM 1016 OD2 ASP A 64 -2.576 17.880 -3.201 1.00 2.27 O ATOM 0 H ASP A 64 -4.086 13.994 -0.969 1.00 1.54 H new ATOM 0 HA ASP A 64 -1.350 14.415 -1.785 1.00 1.55 H new ATOM 0 HB2 ASP A 64 -3.345 15.232 -3.000 1.00 1.64 H new ATOM 0 HB3 ASP A 64 -3.786 16.217 -1.619 1.00 1.64 H new ATOM 1021 N VAL A 65 -0.749 14.813 0.742 1.00 1.87 N ATOM 1022 CA VAL A 65 -0.270 15.210 2.060 1.00 2.24 C ATOM 1023 C VAL A 65 0.249 16.652 2.086 1.00 2.36 C ATOM 1024 O VAL A 65 -0.002 17.375 3.048 1.00 2.67 O ATOM 1025 CB VAL A 65 0.780 14.214 2.593 1.00 2.34 C ATOM 1026 CG1 VAL A 65 0.119 12.889 2.992 1.00 2.72 C ATOM 1027 CG2 VAL A 65 1.921 13.943 1.601 1.00 2.18 C ATOM 0 H VAL A 65 -0.330 13.945 0.407 1.00 1.87 H new ATOM 0 HA VAL A 65 -1.127 15.182 2.732 1.00 2.24 H new ATOM 0 HB VAL A 65 1.222 14.687 3.470 1.00 2.34 H new ATOM 0 HG11 VAL A 65 0.878 12.202 3.365 1.00 2.72 H new ATOM 0 HG12 VAL A 65 -0.620 13.072 3.772 1.00 2.72 H new ATOM 0 HG13 VAL A 65 -0.372 12.451 2.123 1.00 2.72 H new ATOM 0 HG21 VAL A 65 2.624 13.234 2.039 1.00 2.18 H new ATOM 0 HG22 VAL A 65 1.512 13.526 0.681 1.00 2.18 H new ATOM 0 HG23 VAL A 65 2.438 14.876 1.378 1.00 2.18 H new ATOM 1037 N ASN A 66 0.976 17.071 1.045 1.00 2.19 N ATOM 1038 CA ASN A 66 1.517 18.425 0.950 1.00 2.39 C ATOM 1039 C ASN A 66 0.538 19.398 0.279 1.00 2.34 C ATOM 1040 O ASN A 66 0.839 20.585 0.195 1.00 2.47 O ATOM 1041 CB ASN A 66 2.876 18.420 0.243 1.00 2.43 C ATOM 1042 CG ASN A 66 2.749 18.131 -1.246 1.00 1.92 C ATOM 1043 OD1 ASN A 66 1.911 17.335 -1.668 1.00 2.00 O ATOM 1044 ND2 ASN A 66 3.576 18.751 -2.074 1.00 2.22 N ATOM 0 H ASN A 66 1.204 16.479 0.246 1.00 2.19 H new ATOM 0 HA ASN A 66 1.665 18.786 1.968 1.00 2.39 H new ATOM 0 HB2 ASN A 66 3.360 19.386 0.384 1.00 2.43 H new ATOM 0 HB3 ASN A 66 3.520 17.671 0.703 1.00 2.43 H new ATOM 0 HD21 ASN A 66 3.524 18.571 -3.077 1.00 2.22 H new ATOM 0 HD22 ASN A 66 4.265 19.408 -1.709 1.00 2.22 H new ATOM 1051 N GLN A 67 -0.622 18.913 -0.177 1.00 2.22 N ATOM 1052 CA GLN A 67 -1.734 19.721 -0.657 1.00 2.35 C ATOM 1053 C GLN A 67 -1.297 20.619 -1.825 1.00 2.36 C ATOM 1054 O GLN A 67 -1.464 21.837 -1.776 1.00 2.57 O ATOM 1055 CB GLN A 67 -2.377 20.452 0.537 1.00 2.64 C ATOM 1056 CG GLN A 67 -3.876 20.699 0.324 1.00 2.70 C ATOM 1057 CD GLN A 67 -4.532 21.196 1.608 1.00 3.18 C ATOM 1058 OE1 GLN A 67 -5.231 20.449 2.296 1.00 3.98 O ATOM 1059 NE2 GLN A 67 -4.312 22.459 1.950 1.00 3.65 N ATOM 0 H GLN A 67 -0.813 17.912 -0.221 1.00 2.22 H new ATOM 0 HA GLN A 67 -2.517 19.095 -1.085 1.00 2.35 H new ATOM 0 HB2 GLN A 67 -2.232 19.863 1.443 1.00 2.64 H new ATOM 0 HB3 GLN A 67 -1.872 21.405 0.693 1.00 2.64 H new ATOM 0 HG2 GLN A 67 -4.019 21.432 -0.470 1.00 2.70 H new ATOM 0 HG3 GLN A 67 -4.358 19.778 -0.003 1.00 2.70 H new ATOM 0 HE21 GLN A 67 -3.729 23.053 1.360 1.00 3.65 H new ATOM 0 HE22 GLN A 67 -4.726 22.836 2.803 1.00 3.65 H new ATOM 1068 N ASP A 68 -0.733 19.996 -2.869 1.00 2.20 N ATOM 1069 CA ASP A 68 -0.190 20.650 -4.063 1.00 2.20 C ATOM 1070 C ASP A 68 -1.065 20.419 -5.306 1.00 1.97 C ATOM 1071 O ASP A 68 -0.739 20.940 -6.371 1.00 2.11 O ATOM 1072 CB ASP A 68 1.261 20.186 -4.314 1.00 2.21 C ATOM 1073 CG ASP A 68 1.365 18.700 -4.600 1.00 1.89 C ATOM 1074 OD1 ASP A 68 0.337 18.048 -4.850 1.00 1.77 O ATOM 1075 OD2 ASP A 68 2.398 18.049 -4.334 1.00 1.88 O ATOM 0 H ASP A 68 -0.640 18.981 -2.904 1.00 2.20 H new ATOM 0 HA ASP A 68 -0.190 21.724 -3.876 1.00 2.20 H new ATOM 0 HB2 ASP A 68 1.675 20.742 -5.155 1.00 2.21 H new ATOM 0 HB3 ASP A 68 1.870 20.427 -3.442 1.00 2.21 H new ATOM 1080 N SER A 69 -2.138 19.628 -5.187 1.00 1.93 N ATOM 1081 CA SER A 69 -3.070 19.259 -6.247 1.00 1.74 C ATOM 1082 C SER A 69 -2.557 18.130 -7.146 1.00 1.74 C ATOM 1083 O SER A 69 -3.285 17.715 -8.047 1.00 1.83 O ATOM 1084 CB SER A 69 -3.547 20.472 -7.059 1.00 1.64 C ATOM 1085 OG SER A 69 -4.018 21.488 -6.190 1.00 2.20 O ATOM 0 H SER A 69 -2.389 19.206 -4.293 1.00 1.93 H new ATOM 0 HA SER A 69 -3.944 18.856 -5.734 1.00 1.74 H new ATOM 0 HB2 SER A 69 -2.729 20.855 -7.669 1.00 1.64 H new ATOM 0 HB3 SER A 69 -4.341 20.172 -7.743 1.00 1.64 H new ATOM 0 HG SER A 69 -4.318 22.257 -6.718 1.00 2.20 H new ATOM 1091 N GLU A 70 -1.355 17.598 -6.899 1.00 1.68 N ATOM 1092 CA GLU A 70 -0.867 16.378 -7.523 1.00 1.69 C ATOM 1093 C GLU A 70 -0.799 15.276 -6.473 1.00 1.71 C ATOM 1094 O GLU A 70 -0.179 15.438 -5.420 1.00 1.97 O ATOM 1095 CB GLU A 70 0.538 16.558 -8.108 1.00 1.75 C ATOM 1096 CG GLU A 70 0.564 17.337 -9.431 1.00 1.85 C ATOM 1097 CD GLU A 70 1.899 17.192 -10.157 1.00 2.18 C ATOM 1098 OE1 GLU A 70 2.721 16.370 -9.683 1.00 3.05 O ATOM 1099 OE2 GLU A 70 2.074 17.872 -11.186 1.00 2.75 O ATOM 0 H GLU A 70 -0.689 18.015 -6.249 1.00 1.68 H new ATOM 0 HA GLU A 70 -1.553 16.123 -8.330 1.00 1.69 H new ATOM 0 HB2 GLU A 70 1.161 17.077 -7.379 1.00 1.75 H new ATOM 0 HB3 GLU A 70 0.984 15.576 -8.267 1.00 1.75 H new ATOM 0 HG2 GLU A 70 -0.239 16.982 -10.076 1.00 1.85 H new ATOM 0 HG3 GLU A 70 0.372 18.392 -9.234 1.00 1.85 H new ATOM 1106 N LEU A 71 -1.346 14.112 -6.800 1.00 1.40 N ATOM 1107 CA LEU A 71 -1.040 12.880 -6.109 1.00 1.21 C ATOM 1108 C LEU A 71 0.184 12.296 -6.816 1.00 1.06 C ATOM 1109 O LEU A 71 0.021 11.561 -7.788 1.00 0.96 O ATOM 1110 CB LEU A 71 -2.237 11.920 -6.218 1.00 1.10 C ATOM 1111 CG LEU A 71 -3.506 12.279 -5.429 1.00 1.32 C ATOM 1112 CD1 LEU A 71 -3.252 12.226 -3.923 1.00 1.29 C ATOM 1113 CD2 LEU A 71 -4.134 13.620 -5.826 1.00 1.59 C ATOM 0 H LEU A 71 -2.019 14.003 -7.559 1.00 1.40 H new ATOM 0 HA LEU A 71 -0.841 13.041 -5.049 1.00 1.21 H new ATOM 0 HB2 LEU A 71 -2.507 11.837 -7.271 1.00 1.10 H new ATOM 0 HB3 LEU A 71 -1.907 10.933 -5.895 1.00 1.10 H new ATOM 0 HG LEU A 71 -4.238 11.517 -5.697 1.00 1.32 H new ATOM 0 HD11 LEU A 71 -4.167 12.485 -3.390 1.00 1.29 H new ATOM 0 HD12 LEU A 71 -2.940 11.220 -3.642 1.00 1.29 H new ATOM 0 HD13 LEU A 71 -2.467 12.936 -3.661 1.00 1.29 H new ATOM 0 HD21 LEU A 71 -5.024 13.798 -5.223 1.00 1.59 H new ATOM 0 HD22 LEU A 71 -3.415 14.422 -5.658 1.00 1.59 H new ATOM 0 HD23 LEU A 71 -4.410 13.595 -6.880 1.00 1.59 H new ATOM 1125 N LYS A 72 1.413 12.613 -6.382 1.00 1.12 N ATOM 1126 CA LYS A 72 2.581 11.888 -6.888 1.00 1.10 C ATOM 1127 C LYS A 72 2.334 10.382 -6.695 1.00 0.97 C ATOM 1128 O LYS A 72 1.674 10.021 -5.728 1.00 0.96 O ATOM 1129 CB LYS A 72 3.837 12.323 -6.110 1.00 1.48 C ATOM 1130 CG LYS A 72 5.143 11.986 -6.844 1.00 1.27 C ATOM 1131 CD LYS A 72 5.863 13.191 -7.469 1.00 1.48 C ATOM 1132 CE LYS A 72 5.072 13.912 -8.572 1.00 2.72 C ATOM 1133 NZ LYS A 72 4.066 14.855 -8.044 1.00 3.63 N ATOM 0 H LYS A 72 1.618 13.345 -5.702 1.00 1.12 H new ATOM 0 HA LYS A 72 2.735 12.106 -7.945 1.00 1.10 H new ATOM 0 HB2 LYS A 72 3.793 13.397 -5.932 1.00 1.48 H new ATOM 0 HB3 LYS A 72 3.839 11.838 -5.134 1.00 1.48 H new ATOM 0 HG2 LYS A 72 5.821 11.499 -6.143 1.00 1.27 H new ATOM 0 HG3 LYS A 72 4.925 11.264 -7.630 1.00 1.27 H new ATOM 0 HD2 LYS A 72 6.095 13.907 -6.681 1.00 1.48 H new ATOM 0 HD3 LYS A 72 6.813 12.854 -7.884 1.00 1.48 H new ATOM 0 HE2 LYS A 72 5.767 14.454 -9.214 1.00 2.72 H new ATOM 0 HE3 LYS A 72 4.573 13.171 -9.196 1.00 2.72 H new ATOM 0 HZ1 LYS A 72 3.861 15.581 -8.760 1.00 3.63 H new ATOM 0 HZ2 LYS A 72 3.193 14.339 -7.814 1.00 3.63 H new ATOM 0 HZ3 LYS A 72 4.435 15.311 -7.185 1.00 3.63 H new ATOM 1147 N PHE A 73 2.857 9.503 -7.555 1.00 1.06 N ATOM 1148 CA PHE A 73 2.688 8.052 -7.431 1.00 1.09 C ATOM 1149 C PHE A 73 2.751 7.550 -5.981 1.00 0.90 C ATOM 1150 O PHE A 73 1.862 6.822 -5.543 1.00 0.87 O ATOM 1151 CB PHE A 73 3.706 7.310 -8.314 1.00 1.33 C ATOM 1152 CG PHE A 73 5.170 7.602 -8.027 1.00 1.63 C ATOM 1153 CD1 PHE A 73 5.746 8.784 -8.520 1.00 3.22 C ATOM 1154 CD2 PHE A 73 5.973 6.679 -7.331 1.00 2.71 C ATOM 1155 CE1 PHE A 73 7.089 9.093 -8.249 1.00 4.68 C ATOM 1156 CE2 PHE A 73 7.337 6.956 -7.117 1.00 4.24 C ATOM 1157 CZ PHE A 73 7.888 8.174 -7.550 1.00 4.99 C ATOM 0 H PHE A 73 3.414 9.781 -8.363 1.00 1.06 H new ATOM 0 HA PHE A 73 1.681 7.830 -7.783 1.00 1.09 H new ATOM 0 HB2 PHE A 73 3.541 6.238 -8.204 1.00 1.33 H new ATOM 0 HB3 PHE A 73 3.503 7.558 -9.356 1.00 1.33 H new ATOM 0 HD1 PHE A 73 5.150 9.462 -9.113 1.00 3.22 H new ATOM 0 HD2 PHE A 73 5.544 5.759 -6.962 1.00 2.71 H new ATOM 0 HE1 PHE A 73 7.506 10.034 -8.577 1.00 4.68 H new ATOM 0 HE2 PHE A 73 7.962 6.230 -6.618 1.00 4.24 H new ATOM 0 HZ PHE A 73 8.924 8.403 -7.346 1.00 4.99 H new ATOM 1167 N ASN A 74 3.773 7.952 -5.222 1.00 0.85 N ATOM 1168 CA ASN A 74 3.902 7.578 -3.815 1.00 0.79 C ATOM 1169 C ASN A 74 2.800 8.189 -2.926 1.00 0.85 C ATOM 1170 O ASN A 74 2.352 7.532 -1.989 1.00 0.98 O ATOM 1171 CB ASN A 74 5.323 7.864 -3.314 1.00 0.82 C ATOM 1172 CG ASN A 74 5.420 7.879 -1.791 1.00 0.96 C ATOM 1173 OD1 ASN A 74 5.780 8.883 -1.192 1.00 2.01 O ATOM 1174 ND2 ASN A 74 5.126 6.752 -1.149 1.00 2.28 N ATOM 0 H ASN A 74 4.530 8.543 -5.565 1.00 0.85 H new ATOM 0 HA ASN A 74 3.743 6.502 -3.739 1.00 0.79 H new ATOM 0 HB2 ASN A 74 6.002 7.109 -3.710 1.00 0.82 H new ATOM 0 HB3 ASN A 74 5.654 8.826 -3.704 1.00 0.82 H new ATOM 0 HD21 ASN A 74 5.198 6.710 -0.132 1.00 2.28 H new ATOM 0 HD22 ASN A 74 4.828 5.929 -1.673 1.00 2.28 H new ATOM 1181 N GLU A 75 2.335 9.409 -3.208 1.00 0.88 N ATOM 1182 CA GLU A 75 1.193 9.987 -2.506 1.00 1.01 C ATOM 1183 C GLU A 75 -0.064 9.178 -2.825 1.00 1.02 C ATOM 1184 O GLU A 75 -0.726 8.687 -1.915 1.00 1.15 O ATOM 1185 CB GLU A 75 0.975 11.455 -2.896 1.00 1.15 C ATOM 1186 CG GLU A 75 2.167 12.358 -2.577 1.00 1.25 C ATOM 1187 CD GLU A 75 1.844 13.786 -2.969 1.00 1.44 C ATOM 1188 OE1 GLU A 75 1.958 14.175 -4.153 1.00 1.58 O ATOM 1189 OE2 GLU A 75 1.386 14.581 -2.126 1.00 2.65 O ATOM 0 H GLU A 75 2.737 10.016 -3.922 1.00 0.88 H new ATOM 0 HA GLU A 75 1.399 9.951 -1.436 1.00 1.01 H new ATOM 0 HB2 GLU A 75 0.764 11.511 -3.964 1.00 1.15 H new ATOM 0 HB3 GLU A 75 0.094 11.833 -2.377 1.00 1.15 H new ATOM 0 HG2 GLU A 75 2.401 12.306 -1.514 1.00 1.25 H new ATOM 0 HG3 GLU A 75 3.051 12.014 -3.115 1.00 1.25 H new ATOM 1196 N TYR A 76 -0.379 9.024 -4.118 1.00 0.96 N ATOM 1197 CA TYR A 76 -1.491 8.206 -4.592 1.00 0.95 C ATOM 1198 C TYR A 76 -1.485 6.865 -3.870 1.00 0.92 C ATOM 1199 O TYR A 76 -2.500 6.457 -3.312 1.00 0.94 O ATOM 1200 CB TYR A 76 -1.401 7.982 -6.110 1.00 0.91 C ATOM 1201 CG TYR A 76 -2.276 6.837 -6.588 1.00 1.16 C ATOM 1202 CD1 TYR A 76 -3.675 6.978 -6.577 1.00 2.29 C ATOM 1203 CD2 TYR A 76 -1.709 5.565 -6.797 1.00 2.17 C ATOM 1204 CE1 TYR A 76 -4.497 5.883 -6.891 1.00 2.65 C ATOM 1205 CE2 TYR A 76 -2.537 4.450 -7.009 1.00 2.69 C ATOM 1206 CZ TYR A 76 -3.929 4.613 -7.082 1.00 2.39 C ATOM 1207 OH TYR A 76 -4.735 3.540 -7.321 1.00 3.13 O ATOM 0 H TYR A 76 0.142 9.473 -4.871 1.00 0.96 H new ATOM 0 HA TYR A 76 -2.422 8.732 -4.379 1.00 0.95 H new ATOM 0 HB2 TYR A 76 -1.693 8.897 -6.626 1.00 0.91 H new ATOM 0 HB3 TYR A 76 -0.365 7.780 -6.382 1.00 0.91 H new ATOM 0 HD1 TYR A 76 -4.119 7.930 -6.327 1.00 2.29 H new ATOM 0 HD2 TYR A 76 -0.636 5.446 -6.794 1.00 2.17 H new ATOM 0 HE1 TYR A 76 -5.564 6.018 -6.985 1.00 2.65 H new ATOM 0 HE2 TYR A 76 -2.102 3.467 -7.116 1.00 2.69 H new ATOM 0 HH TYR A 76 -4.185 2.736 -7.432 1.00 3.13 H new ATOM 1217 N TRP A 77 -0.329 6.198 -3.881 1.00 0.89 N ATOM 1218 CA TRP A 77 -0.114 4.917 -3.233 1.00 0.85 C ATOM 1219 C TRP A 77 -0.680 4.884 -1.809 1.00 0.82 C ATOM 1220 O TRP A 77 -1.172 3.829 -1.421 1.00 0.86 O ATOM 1221 CB TRP A 77 1.371 4.527 -3.322 1.00 0.87 C ATOM 1222 CG TRP A 77 1.926 3.712 -2.195 1.00 0.69 C ATOM 1223 CD1 TRP A 77 2.613 4.220 -1.148 1.00 1.61 C ATOM 1224 CD2 TRP A 77 1.756 2.292 -1.901 1.00 1.78 C ATOM 1225 NE1 TRP A 77 2.858 3.243 -0.222 1.00 1.73 N ATOM 1226 CE2 TRP A 77 2.304 2.047 -0.609 1.00 1.40 C ATOM 1227 CE3 TRP A 77 1.180 1.186 -2.563 1.00 3.55 C ATOM 1228 CZ2 TRP A 77 2.222 0.803 0.022 1.00 2.25 C ATOM 1229 CZ3 TRP A 77 1.110 -0.073 -1.934 1.00 4.34 C ATOM 1230 CH2 TRP A 77 1.566 -0.243 -0.629 1.00 3.70 C ATOM 0 H TRP A 77 0.502 6.550 -4.356 1.00 0.89 H new ATOM 0 HA TRP A 77 -0.678 4.153 -3.768 1.00 0.85 H new ATOM 0 HB2 TRP A 77 1.521 3.972 -4.248 1.00 0.87 H new ATOM 0 HB3 TRP A 77 1.958 5.442 -3.400 1.00 0.87 H new ATOM 0 HD1 TRP A 77 2.924 5.250 -1.055 1.00 1.61 H new ATOM 0 HE1 TRP A 77 3.383 3.384 0.641 1.00 1.73 H new ATOM 0 HE3 TRP A 77 0.789 1.306 -3.562 1.00 3.55 H new ATOM 0 HZ2 TRP A 77 2.659 0.653 0.998 1.00 2.25 H new ATOM 0 HZ3 TRP A 77 0.698 -0.915 -2.470 1.00 4.34 H new ATOM 0 HH2 TRP A 77 1.412 -1.184 -0.121 1.00 3.70 H new ATOM 1241 N ARG A 78 -0.669 5.997 -1.048 1.00 0.85 N ATOM 1242 CA ARG A 78 -1.349 6.091 0.252 1.00 0.87 C ATOM 1243 C ARG A 78 -2.705 5.400 0.195 1.00 0.91 C ATOM 1244 O ARG A 78 -2.996 4.565 1.047 1.00 0.97 O ATOM 1245 CB ARG A 78 -1.475 7.536 0.748 1.00 0.93 C ATOM 1246 CG ARG A 78 -1.900 7.619 2.220 1.00 2.42 C ATOM 1247 CD ARG A 78 -2.016 9.071 2.721 1.00 2.48 C ATOM 1248 NE ARG A 78 -3.301 9.277 3.413 1.00 3.96 N ATOM 1249 CZ ARG A 78 -3.493 10.019 4.511 1.00 4.39 C ATOM 1250 NH1 ARG A 78 -2.743 11.098 4.743 1.00 3.81 N ATOM 1251 NH2 ARG A 78 -4.465 9.667 5.356 1.00 6.03 N ATOM 0 H ARG A 78 -0.187 6.854 -1.321 1.00 0.85 H new ATOM 0 HA ARG A 78 -0.727 5.573 0.982 1.00 0.87 H new ATOM 0 HB2 ARG A 78 -0.520 8.045 0.620 1.00 0.93 H new ATOM 0 HB3 ARG A 78 -2.203 8.065 0.133 1.00 0.93 H new ATOM 0 HG2 ARG A 78 -2.859 7.117 2.346 1.00 2.42 H new ATOM 0 HG3 ARG A 78 -1.176 7.083 2.834 1.00 2.42 H new ATOM 0 HD2 ARG A 78 -1.192 9.295 3.398 1.00 2.48 H new ATOM 0 HD3 ARG A 78 -1.934 9.760 1.880 1.00 2.48 H new ATOM 0 HE ARG A 78 -4.119 8.812 3.019 1.00 3.96 H new ATOM 0 HH11 ARG A 78 -2.015 11.365 4.081 1.00 3.81 H new ATOM 0 HH12 ARG A 78 -2.898 11.656 5.583 1.00 3.81 H new ATOM 0 HH21 ARG A 78 -5.041 8.849 5.158 1.00 6.03 H new ATOM 0 HH22 ARG A 78 -4.631 10.216 6.199 1.00 6.03 H new ATOM 1265 N LEU A 79 -3.491 5.698 -0.846 1.00 0.92 N ATOM 1266 CA LEU A 79 -4.773 5.082 -1.108 1.00 0.97 C ATOM 1267 C LEU A 79 -4.734 3.585 -0.855 1.00 0.98 C ATOM 1268 O LEU A 79 -5.583 3.079 -0.138 1.00 1.03 O ATOM 1269 CB LEU A 79 -5.190 5.348 -2.562 1.00 1.01 C ATOM 1270 CG LEU A 79 -6.603 4.832 -2.875 1.00 1.25 C ATOM 1271 CD1 LEU A 79 -7.644 5.714 -2.185 1.00 1.47 C ATOM 1272 CD2 LEU A 79 -6.819 4.835 -4.390 1.00 1.20 C ATOM 0 H LEU A 79 -3.234 6.397 -1.543 1.00 0.92 H new ATOM 0 HA LEU A 79 -5.502 5.522 -0.427 1.00 0.97 H new ATOM 0 HB2 LEU A 79 -5.147 6.419 -2.758 1.00 1.01 H new ATOM 0 HB3 LEU A 79 -4.476 4.872 -3.234 1.00 1.01 H new ATOM 0 HG LEU A 79 -6.712 3.814 -2.502 1.00 1.25 H new ATOM 0 HD11 LEU A 79 -8.643 5.342 -2.411 1.00 1.47 H new ATOM 0 HD12 LEU A 79 -7.484 5.691 -1.107 1.00 1.47 H new ATOM 0 HD13 LEU A 79 -7.548 6.739 -2.544 1.00 1.47 H new ATOM 0 HD21 LEU A 79 -7.821 4.469 -4.615 1.00 1.20 H new ATOM 0 HD22 LEU A 79 -6.709 5.850 -4.771 1.00 1.20 H new ATOM 0 HD23 LEU A 79 -6.081 4.188 -4.864 1.00 1.20 H new ATOM 1284 N ILE A 80 -3.752 2.879 -1.416 1.00 0.98 N ATOM 1285 CA ILE A 80 -3.702 1.423 -1.382 1.00 1.03 C ATOM 1286 C ILE A 80 -3.594 0.964 0.077 1.00 1.11 C ATOM 1287 O ILE A 80 -4.129 -0.073 0.469 1.00 1.13 O ATOM 1288 CB ILE A 80 -2.584 0.932 -2.325 1.00 1.06 C ATOM 1289 CG1 ILE A 80 -2.995 1.261 -3.778 1.00 1.18 C ATOM 1290 CG2 ILE A 80 -2.368 -0.580 -2.182 1.00 1.23 C ATOM 1291 CD1 ILE A 80 -1.848 1.172 -4.787 1.00 1.79 C ATOM 0 H ILE A 80 -2.967 3.306 -1.908 1.00 0.98 H new ATOM 0 HA ILE A 80 -4.615 0.965 -1.762 1.00 1.03 H new ATOM 0 HB ILE A 80 -1.650 1.431 -2.066 1.00 1.06 H new ATOM 0 HG12 ILE A 80 -3.787 0.578 -4.084 1.00 1.18 H new ATOM 0 HG13 ILE A 80 -3.413 2.267 -3.807 1.00 1.18 H new ATOM 0 HG21 ILE A 80 -1.575 -0.900 -2.858 1.00 1.23 H new ATOM 0 HG22 ILE A 80 -2.085 -0.812 -1.155 1.00 1.23 H new ATOM 0 HG23 ILE A 80 -3.290 -1.105 -2.431 1.00 1.23 H new ATOM 0 HD11 ILE A 80 -2.219 1.417 -5.782 1.00 1.79 H new ATOM 0 HD12 ILE A 80 -1.063 1.875 -4.509 1.00 1.79 H new ATOM 0 HD13 ILE A 80 -1.444 0.160 -4.790 1.00 1.79 H new ATOM 1303 N GLY A 81 -2.957 1.787 0.907 1.00 1.21 N ATOM 1304 CA GLY A 81 -2.815 1.570 2.328 1.00 1.35 C ATOM 1305 C GLY A 81 -4.107 1.849 3.018 1.00 1.22 C ATOM 1306 O GLY A 81 -4.542 1.088 3.868 1.00 1.36 O ATOM 0 H GLY A 81 -2.514 2.649 0.589 1.00 1.21 H new ATOM 0 HA2 GLY A 81 -2.506 0.542 2.518 1.00 1.35 H new ATOM 0 HA3 GLY A 81 -2.033 2.217 2.727 1.00 1.35 H new ATOM 1310 N GLU A 82 -4.721 2.955 2.635 1.00 1.05 N ATOM 1311 CA GLU A 82 -5.987 3.367 3.174 1.00 1.04 C ATOM 1312 C GLU A 82 -7.010 2.281 2.843 1.00 1.07 C ATOM 1313 O GLU A 82 -7.872 2.016 3.659 1.00 1.25 O ATOM 1314 CB GLU A 82 -6.320 4.774 2.670 1.00 0.96 C ATOM 1315 CG GLU A 82 -5.102 5.709 2.886 1.00 0.96 C ATOM 1316 CD GLU A 82 -5.298 6.665 4.047 1.00 1.17 C ATOM 1317 OE1 GLU A 82 -5.132 6.212 5.201 1.00 2.10 O ATOM 1318 OE2 GLU A 82 -5.503 7.868 3.783 1.00 1.99 O ATOM 0 H GLU A 82 -4.344 3.592 1.934 1.00 1.05 H new ATOM 0 HA GLU A 82 -5.981 3.460 4.260 1.00 1.04 H new ATOM 0 HB2 GLU A 82 -6.581 4.739 1.612 1.00 0.96 H new ATOM 0 HB3 GLU A 82 -7.189 5.164 3.200 1.00 0.96 H new ATOM 0 HG2 GLU A 82 -4.212 5.105 3.064 1.00 0.96 H new ATOM 0 HG3 GLU A 82 -4.922 6.281 1.976 1.00 0.96 H new ATOM 1325 N LEU A 83 -6.866 1.568 1.723 1.00 1.14 N ATOM 1326 CA LEU A 83 -7.695 0.414 1.406 1.00 1.18 C ATOM 1327 C LEU A 83 -7.351 -0.769 2.314 1.00 1.14 C ATOM 1328 O LEU A 83 -8.221 -1.308 2.995 1.00 1.17 O ATOM 1329 CB LEU A 83 -7.525 -0.027 -0.051 1.00 1.41 C ATOM 1330 CG LEU A 83 -7.656 1.034 -1.152 1.00 0.93 C ATOM 1331 CD1 LEU A 83 -8.033 0.302 -2.439 1.00 1.68 C ATOM 1332 CD2 LEU A 83 -8.580 2.215 -0.815 1.00 2.19 C ATOM 0 H LEU A 83 -6.167 1.780 1.011 1.00 1.14 H new ATOM 0 HA LEU A 83 -8.729 0.720 1.566 1.00 1.18 H new ATOM 0 HB2 LEU A 83 -6.541 -0.486 -0.147 1.00 1.41 H new ATOM 0 HB3 LEU A 83 -8.261 -0.806 -0.251 1.00 1.41 H new ATOM 0 HG LEU A 83 -6.698 1.539 -1.271 1.00 0.93 H new ATOM 0 HD11 LEU A 83 -8.137 1.022 -3.250 1.00 1.68 H new ATOM 0 HD12 LEU A 83 -7.254 -0.418 -2.690 1.00 1.68 H new ATOM 0 HD13 LEU A 83 -8.978 -0.222 -2.296 1.00 1.68 H new ATOM 0 HD21 LEU A 83 -8.605 2.908 -1.656 1.00 2.19 H new ATOM 0 HD22 LEU A 83 -9.586 1.845 -0.619 1.00 2.19 H new ATOM 0 HD23 LEU A 83 -8.204 2.730 0.069 1.00 2.19 H new ATOM 1344 N ALA A 84 -6.078 -1.182 2.309 1.00 1.12 N ATOM 1345 CA ALA A 84 -5.579 -2.302 3.107 1.00 1.14 C ATOM 1346 C ALA A 84 -5.861 -2.108 4.603 1.00 1.14 C ATOM 1347 O ALA A 84 -5.929 -3.064 5.370 1.00 1.32 O ATOM 1348 CB ALA A 84 -4.079 -2.467 2.853 1.00 1.11 C ATOM 0 H ALA A 84 -5.356 -0.739 1.741 1.00 1.12 H new ATOM 0 HA ALA A 84 -6.105 -3.207 2.803 1.00 1.14 H new ATOM 0 HB1 ALA A 84 -3.699 -3.300 3.444 1.00 1.11 H new ATOM 0 HB2 ALA A 84 -3.909 -2.666 1.795 1.00 1.11 H new ATOM 0 HB3 ALA A 84 -3.559 -1.553 3.139 1.00 1.11 H new ATOM 1354 N LYS A 85 -6.008 -0.851 5.013 1.00 1.03 N ATOM 1355 CA LYS A 85 -6.439 -0.414 6.321 1.00 0.98 C ATOM 1356 C LYS A 85 -7.960 -0.507 6.400 1.00 0.99 C ATOM 1357 O LYS A 85 -8.454 -1.266 7.222 1.00 1.09 O ATOM 1358 CB LYS A 85 -5.892 1.003 6.491 1.00 1.05 C ATOM 1359 CG LYS A 85 -6.197 1.770 7.779 1.00 0.86 C ATOM 1360 CD LYS A 85 -5.746 3.233 7.595 1.00 1.57 C ATOM 1361 CE LYS A 85 -4.252 3.347 7.235 1.00 1.00 C ATOM 1362 NZ LYS A 85 -3.829 4.724 6.920 1.00 1.18 N ATOM 0 H LYS A 85 -5.814 -0.065 4.393 1.00 1.03 H new ATOM 0 HA LYS A 85 -6.065 -1.033 7.136 1.00 0.98 H new ATOM 0 HB2 LYS A 85 -4.808 0.951 6.389 1.00 1.05 H new ATOM 0 HB3 LYS A 85 -6.262 1.600 5.658 1.00 1.05 H new ATOM 0 HG2 LYS A 85 -7.263 1.727 8.002 1.00 0.86 H new ATOM 0 HG3 LYS A 85 -5.677 1.316 8.622 1.00 0.86 H new ATOM 0 HD2 LYS A 85 -6.342 3.698 6.810 1.00 1.57 H new ATOM 0 HD3 LYS A 85 -5.939 3.788 8.513 1.00 1.57 H new ATOM 0 HE2 LYS A 85 -3.656 2.973 8.067 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -4.042 2.706 6.379 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -2.828 4.724 6.638 1.00 1.18 H new ATOM 0 HZ2 LYS A 85 -4.409 5.095 6.140 1.00 1.18 H new ATOM 0 HZ3 LYS A 85 -3.952 5.325 7.760 1.00 1.18 H new ATOM 1376 N GLU A 86 -8.702 0.219 5.556 1.00 0.98 N ATOM 1377 CA GLU A 86 -10.162 0.286 5.569 1.00 1.06 C ATOM 1378 C GLU A 86 -10.783 -1.118 5.587 1.00 1.11 C ATOM 1379 O GLU A 86 -11.740 -1.355 6.315 1.00 1.28 O ATOM 1380 CB GLU A 86 -10.706 1.126 4.392 1.00 1.10 C ATOM 1381 CG GLU A 86 -10.503 2.653 4.548 1.00 1.21 C ATOM 1382 CD GLU A 86 -11.700 3.373 5.168 1.00 1.76 C ATOM 1383 OE1 GLU A 86 -12.271 2.798 6.113 1.00 2.53 O ATOM 1384 OE2 GLU A 86 -12.043 4.495 4.715 1.00 2.55 O ATOM 0 H GLU A 86 -8.286 0.793 4.823 1.00 0.98 H new ATOM 0 HA GLU A 86 -10.456 0.791 6.489 1.00 1.06 H new ATOM 0 HB2 GLU A 86 -10.219 0.799 3.473 1.00 1.10 H new ATOM 0 HB3 GLU A 86 -11.771 0.923 4.278 1.00 1.10 H new ATOM 0 HG2 GLU A 86 -9.623 2.832 5.166 1.00 1.21 H new ATOM 0 HG3 GLU A 86 -10.298 3.085 3.568 1.00 1.21 H new ATOM 1391 N ILE A 87 -10.249 -2.081 4.826 1.00 1.05 N ATOM 1392 CA ILE A 87 -10.754 -3.449 4.847 1.00 1.08 C ATOM 1393 C ILE A 87 -10.773 -4.046 6.271 1.00 1.22 C ATOM 1394 O ILE A 87 -11.665 -4.821 6.612 1.00 1.37 O ATOM 1395 CB ILE A 87 -9.954 -4.298 3.837 1.00 1.00 C ATOM 1396 CG1 ILE A 87 -10.754 -5.544 3.436 1.00 1.15 C ATOM 1397 CG2 ILE A 87 -8.586 -4.695 4.398 1.00 1.10 C ATOM 1398 CD1 ILE A 87 -10.229 -6.080 2.108 1.00 1.07 C ATOM 0 H ILE A 87 -9.466 -1.933 4.189 1.00 1.05 H new ATOM 0 HA ILE A 87 -11.799 -3.450 4.537 1.00 1.08 H new ATOM 0 HB ILE A 87 -9.783 -3.689 2.949 1.00 1.00 H new ATOM 0 HG12 ILE A 87 -10.668 -6.308 4.208 1.00 1.15 H new ATOM 0 HG13 ILE A 87 -11.812 -5.297 3.348 1.00 1.15 H new ATOM 0 HG21 ILE A 87 -8.050 -5.292 3.660 1.00 1.10 H new ATOM 0 HG22 ILE A 87 -8.011 -3.797 4.625 1.00 1.10 H new ATOM 0 HG23 ILE A 87 -8.722 -5.279 5.308 1.00 1.10 H new ATOM 0 HD11 ILE A 87 -10.797 -6.965 1.823 1.00 1.07 H new ATOM 0 HD12 ILE A 87 -10.338 -5.316 1.339 1.00 1.07 H new ATOM 0 HD13 ILE A 87 -9.176 -6.343 2.212 1.00 1.07 H new ATOM 1410 N ARG A 88 -9.792 -3.681 7.109 1.00 1.28 N ATOM 1411 CA ARG A 88 -9.636 -4.146 8.484 1.00 1.54 C ATOM 1412 C ARG A 88 -10.332 -3.148 9.420 1.00 1.58 C ATOM 1413 O ARG A 88 -11.292 -3.486 10.114 1.00 1.83 O ATOM 1414 CB ARG A 88 -8.129 -4.304 8.772 1.00 1.74 C ATOM 1415 CG ARG A 88 -7.764 -5.147 10.006 1.00 2.04 C ATOM 1416 CD ARG A 88 -8.219 -4.528 11.333 1.00 2.20 C ATOM 1417 NE ARG A 88 -7.594 -5.197 12.490 1.00 3.02 N ATOM 1418 CZ ARG A 88 -8.006 -5.059 13.761 1.00 3.81 C ATOM 1419 NH1 ARG A 88 -9.030 -4.246 14.043 1.00 4.50 N ATOM 1420 NH2 ARG A 88 -7.400 -5.726 14.745 1.00 4.86 N ATOM 0 H ARG A 88 -9.060 -3.028 6.831 1.00 1.28 H new ATOM 0 HA ARG A 88 -10.103 -5.117 8.647 1.00 1.54 H new ATOM 0 HB2 ARG A 88 -7.657 -4.752 7.898 1.00 1.74 H new ATOM 0 HB3 ARG A 88 -7.696 -3.311 8.894 1.00 1.74 H new ATOM 0 HG2 ARG A 88 -8.211 -6.136 9.904 1.00 2.04 H new ATOM 0 HG3 ARG A 88 -6.683 -5.287 10.032 1.00 2.04 H new ATOM 0 HD2 ARG A 88 -7.966 -3.468 11.346 1.00 2.20 H new ATOM 0 HD3 ARG A 88 -9.304 -4.598 11.414 1.00 2.20 H new ATOM 0 HE ARG A 88 -6.795 -5.806 12.313 1.00 3.02 H new ATOM 0 HH11 ARG A 88 -9.495 -3.733 13.294 1.00 4.50 H new ATOM 0 HH12 ARG A 88 -9.346 -4.139 15.007 1.00 4.50 H new ATOM 0 HH21 ARG A 88 -6.618 -6.346 14.535 1.00 4.86 H new ATOM 0 HH22 ARG A 88 -7.719 -5.616 15.708 1.00 4.86 H new ATOM 1434 N LYS A 89 -9.852 -1.905 9.438 1.00 1.55 N ATOM 1435 CA LYS A 89 -10.500 -0.760 10.052 1.00 1.50 C ATOM 1436 C LYS A 89 -11.681 -0.344 9.173 1.00 1.79 C ATOM 1437 O LYS A 89 -11.639 0.691 8.525 1.00 2.38 O ATOM 1438 CB LYS A 89 -9.483 0.381 10.201 1.00 1.53 C ATOM 1439 CG LYS A 89 -10.056 1.563 10.995 1.00 1.78 C ATOM 1440 CD LYS A 89 -9.016 2.685 10.989 1.00 1.94 C ATOM 1441 CE LYS A 89 -9.488 3.962 11.701 1.00 2.45 C ATOM 1442 NZ LYS A 89 -10.024 3.719 13.059 1.00 4.06 N ATOM 0 H LYS A 89 -8.961 -1.664 9.004 1.00 1.55 H new ATOM 0 HA LYS A 89 -10.872 -1.010 11.046 1.00 1.50 H new ATOM 0 HB2 LYS A 89 -8.590 0.007 10.702 1.00 1.53 H new ATOM 0 HB3 LYS A 89 -9.175 0.723 9.213 1.00 1.53 H new ATOM 0 HG2 LYS A 89 -10.989 1.906 10.548 1.00 1.78 H new ATOM 0 HG3 LYS A 89 -10.284 1.261 12.017 1.00 1.78 H new ATOM 0 HD2 LYS A 89 -8.105 2.327 11.468 1.00 1.94 H new ATOM 0 HD3 LYS A 89 -8.760 2.927 9.957 1.00 1.94 H new ATOM 0 HE2 LYS A 89 -8.654 4.660 11.768 1.00 2.45 H new ATOM 0 HE3 LYS A 89 -10.257 4.442 11.096 1.00 2.45 H new ATOM 0 HZ1 LYS A 89 -10.022 4.609 13.597 1.00 4.06 H new ATOM 0 HZ2 LYS A 89 -10.997 3.359 12.989 1.00 4.06 H new ATOM 0 HZ3 LYS A 89 -9.430 3.018 13.546 1.00 4.06 H new ATOM 1456 N LYS A 90 -12.745 -1.134 9.245 1.00 2.40 N ATOM 1457 CA LYS A 90 -14.026 -1.137 8.533 1.00 3.15 C ATOM 1458 C LYS A 90 -14.750 0.182 8.157 1.00 2.93 C ATOM 1459 O LYS A 90 -15.887 0.100 7.694 1.00 3.82 O ATOM 1460 CB LYS A 90 -14.855 -2.325 9.041 1.00 4.32 C ATOM 1461 CG LYS A 90 -14.209 -3.610 8.492 1.00 5.90 C ATOM 1462 CD LYS A 90 -14.535 -4.864 9.311 1.00 7.53 C ATOM 1463 CE LYS A 90 -13.663 -6.022 8.793 1.00 9.13 C ATOM 1464 NZ LYS A 90 -14.080 -7.335 9.326 1.00 10.65 N ATOM 0 H LYS A 90 -12.728 -1.909 9.908 1.00 2.40 H new ATOM 0 HA LYS A 90 -13.783 -1.281 7.480 1.00 3.15 H new ATOM 0 HB2 LYS A 90 -14.874 -2.341 10.131 1.00 4.32 H new ATOM 0 HB3 LYS A 90 -15.889 -2.242 8.705 1.00 4.32 H new ATOM 0 HG2 LYS A 90 -14.540 -3.762 7.465 1.00 5.90 H new ATOM 0 HG3 LYS A 90 -13.127 -3.478 8.462 1.00 5.90 H new ATOM 0 HD2 LYS A 90 -14.341 -4.687 10.369 1.00 7.53 H new ATOM 0 HD3 LYS A 90 -15.592 -5.114 9.218 1.00 7.53 H new ATOM 0 HE2 LYS A 90 -13.708 -6.046 7.704 1.00 9.13 H new ATOM 0 HE3 LYS A 90 -12.624 -5.838 9.065 1.00 9.13 H new ATOM 0 HZ1 LYS A 90 -13.459 -8.077 8.945 1.00 10.65 H new ATOM 0 HZ2 LYS A 90 -14.012 -7.326 10.364 1.00 10.65 H new ATOM 0 HZ3 LYS A 90 -15.063 -7.527 9.045 1.00 10.65 H new ATOM 1478 N LYS A 91 -14.230 1.350 8.552 1.00 2.90 N ATOM 1479 CA LYS A 91 -14.623 2.760 8.367 1.00 4.00 C ATOM 1480 C LYS A 91 -14.908 3.399 9.731 1.00 4.12 C ATOM 1481 O LYS A 91 -15.189 4.592 9.838 1.00 5.25 O ATOM 1482 CB LYS A 91 -15.695 3.048 7.287 1.00 5.27 C ATOM 1483 CG LYS A 91 -15.298 4.136 6.266 1.00 6.77 C ATOM 1484 CD LYS A 91 -14.990 5.527 6.844 1.00 7.50 C ATOM 1485 CE LYS A 91 -14.872 6.587 5.727 1.00 8.83 C ATOM 1486 NZ LYS A 91 -13.529 6.689 5.110 1.00 10.03 N ATOM 0 H LYS A 91 -13.374 1.322 9.106 1.00 2.90 H new ATOM 0 HA LYS A 91 -13.762 3.257 7.920 1.00 4.00 H new ATOM 0 HB2 LYS A 91 -15.909 2.124 6.750 1.00 5.27 H new ATOM 0 HB3 LYS A 91 -16.618 3.351 7.781 1.00 5.27 H new ATOM 0 HG2 LYS A 91 -14.421 3.790 5.720 1.00 6.77 H new ATOM 0 HG3 LYS A 91 -16.106 4.237 5.541 1.00 6.77 H new ATOM 0 HD2 LYS A 91 -15.777 5.816 7.540 1.00 7.50 H new ATOM 0 HD3 LYS A 91 -14.060 5.489 7.412 1.00 7.50 H new ATOM 0 HE2 LYS A 91 -15.598 6.356 4.948 1.00 8.83 H new ATOM 0 HE3 LYS A 91 -15.143 7.560 6.138 1.00 8.83 H new ATOM 0 HZ1 LYS A 91 -13.618 7.071 4.147 1.00 10.03 H new ATOM 0 HZ2 LYS A 91 -12.932 7.322 5.680 1.00 10.03 H new ATOM 0 HZ3 LYS A 91 -13.093 5.746 5.069 1.00 10.03 H new ATOM 1500 N ASP A 92 -14.768 2.585 10.779 1.00 3.55 N ATOM 1501 CA ASP A 92 -14.811 2.881 12.195 1.00 4.30 C ATOM 1502 C ASP A 92 -13.683 3.867 12.537 1.00 5.18 C ATOM 1503 O ASP A 92 -12.660 3.489 13.117 1.00 5.37 O ATOM 1504 CB ASP A 92 -14.675 1.536 12.953 1.00 4.14 C ATOM 1505 CG ASP A 92 -15.507 0.397 12.361 1.00 4.90 C ATOM 1506 OD1 ASP A 92 -15.267 0.033 11.184 1.00 5.44 O ATOM 1507 OD2 ASP A 92 -16.409 -0.137 13.038 1.00 5.72 O ATOM 0 H ASP A 92 -14.603 1.590 10.627 1.00 3.55 H new ATOM 0 HA ASP A 92 -15.748 3.355 12.488 1.00 4.30 H new ATOM 0 HB2 ASP A 92 -13.626 1.240 12.959 1.00 4.14 H new ATOM 0 HB3 ASP A 92 -14.970 1.685 13.992 1.00 4.14 H new ATOM 1512 N LEU A 93 -13.834 5.125 12.116 1.00 6.37 N ATOM 1513 CA LEU A 93 -12.873 6.199 12.277 1.00 7.91 C ATOM 1514 C LEU A 93 -13.485 7.273 13.176 1.00 8.93 C ATOM 1515 O LEU A 93 -13.054 7.443 14.314 1.00 9.73 O ATOM 1516 CB LEU A 93 -12.499 6.704 10.874 1.00 8.64 C ATOM 1517 CG LEU A 93 -11.730 8.029 10.876 1.00 10.14 C ATOM 1518 CD1 LEU A 93 -10.460 7.979 11.733 1.00 10.96 C ATOM 1519 CD2 LEU A 93 -11.362 8.413 9.439 1.00 10.82 C ATOM 0 H LEU A 93 -14.677 5.429 11.629 1.00 6.37 H new ATOM 0 HA LEU A 93 -11.954 5.873 12.765 1.00 7.91 H new ATOM 0 HB2 LEU A 93 -11.896 5.946 10.374 1.00 8.64 H new ATOM 0 HB3 LEU A 93 -13.410 6.825 10.287 1.00 8.64 H new ATOM 0 HG LEU A 93 -12.387 8.779 11.317 1.00 10.14 H new ATOM 0 HD11 LEU A 93 -9.958 8.946 11.696 1.00 10.96 H new ATOM 0 HD12 LEU A 93 -10.726 7.748 12.764 1.00 10.96 H new ATOM 0 HD13 LEU A 93 -9.792 7.208 11.349 1.00 10.96 H new ATOM 0 HD21 LEU A 93 -10.815 9.356 9.443 1.00 10.82 H new ATOM 0 HD22 LEU A 93 -10.738 7.633 9.003 1.00 10.82 H new ATOM 0 HD23 LEU A 93 -12.271 8.523 8.848 1.00 10.82 H new ATOM 1531 N LYS A 94 -14.480 8.002 12.665 1.00 9.22 N ATOM 1532 CA LYS A 94 -15.235 9.016 13.382 1.00 10.47 C ATOM 1533 C LYS A 94 -16.659 8.929 12.840 1.00 10.34 C ATOM 1534 O LYS A 94 -16.819 8.850 11.624 1.00 10.52 O ATOM 1535 CB LYS A 94 -14.662 10.418 13.116 1.00 11.98 C ATOM 1536 CG LYS A 94 -13.312 10.662 13.804 1.00 12.61 C ATOM 1537 CD LYS A 94 -12.690 12.012 13.411 1.00 14.05 C ATOM 1538 CE LYS A 94 -13.569 13.212 13.798 1.00 14.49 C ATOM 1539 NZ LYS A 94 -12.898 14.504 13.534 1.00 16.09 N ATOM 0 H LYS A 94 -14.790 7.892 11.699 1.00 9.22 H new ATOM 0 HA LYS A 94 -15.192 8.851 14.458 1.00 10.47 H new ATOM 0 HB2 LYS A 94 -14.545 10.557 12.041 1.00 11.98 H new ATOM 0 HB3 LYS A 94 -15.377 11.166 13.458 1.00 11.98 H new ATOM 0 HG2 LYS A 94 -13.447 10.628 14.885 1.00 12.61 H new ATOM 0 HG3 LYS A 94 -12.624 9.858 13.543 1.00 12.61 H new ATOM 0 HD2 LYS A 94 -11.717 12.111 13.892 1.00 14.05 H new ATOM 0 HD3 LYS A 94 -12.517 12.027 12.335 1.00 14.05 H new ATOM 0 HE2 LYS A 94 -14.505 13.170 13.240 1.00 14.49 H new ATOM 0 HE3 LYS A 94 -13.825 13.147 14.856 1.00 14.49 H new ATOM 0 HZ1 LYS A 94 -13.527 15.285 13.810 1.00 16.09 H new ATOM 0 HZ2 LYS A 94 -12.018 14.557 14.086 1.00 16.09 H new ATOM 0 HZ3 LYS A 94 -12.677 14.579 12.521 1.00 16.09 H new ATOM 1553 N ILE A 95 -17.654 8.937 13.734 1.00 10.50 N ATOM 1554 CA ILE A 95 -19.068 8.734 13.434 1.00 10.79 C ATOM 1555 C ILE A 95 -19.300 7.272 13.006 1.00 10.12 C ATOM 1556 O ILE A 95 -18.481 6.664 12.320 1.00 9.70 O ATOM 1557 CB ILE A 95 -19.628 9.801 12.456 1.00 12.03 C ATOM 1558 CG1 ILE A 95 -19.670 11.219 13.062 1.00 13.52 C ATOM 1559 CG2 ILE A 95 -21.068 9.466 12.041 1.00 12.05 C ATOM 1560 CD1 ILE A 95 -18.304 11.866 13.308 1.00 14.56 C ATOM 0 H ILE A 95 -17.484 9.092 14.728 1.00 10.50 H new ATOM 0 HA ILE A 95 -19.657 8.891 14.338 1.00 10.79 H new ATOM 0 HB ILE A 95 -18.946 9.786 11.606 1.00 12.03 H new ATOM 0 HG12 ILE A 95 -20.245 11.864 12.397 1.00 13.52 H new ATOM 0 HG13 ILE A 95 -20.209 11.176 14.008 1.00 13.52 H new ATOM 0 HG21 ILE A 95 -21.436 10.230 11.356 1.00 12.05 H new ATOM 0 HG22 ILE A 95 -21.088 8.495 11.547 1.00 12.05 H new ATOM 0 HG23 ILE A 95 -21.704 9.436 12.926 1.00 12.05 H new ATOM 0 HD11 ILE A 95 -18.443 12.859 13.735 1.00 14.56 H new ATOM 0 HD12 ILE A 95 -17.729 11.251 14.000 1.00 14.56 H new ATOM 0 HD13 ILE A 95 -17.765 11.949 12.364 1.00 14.56 H new ATOM 1572 N ARG A 96 -20.395 6.668 13.479 1.00 10.30 N ATOM 1573 CA ARG A 96 -20.730 5.291 13.131 1.00 9.96 C ATOM 1574 C ARG A 96 -21.107 5.171 11.648 1.00 10.55 C ATOM 1575 O ARG A 96 -21.376 6.173 10.993 1.00 11.59 O ATOM 1576 CB ARG A 96 -21.779 4.720 14.097 1.00 10.01 C ATOM 1577 CG ARG A 96 -23.057 5.565 14.255 1.00 11.11 C ATOM 1578 CD ARG A 96 -23.289 5.884 15.741 1.00 12.32 C ATOM 1579 NE ARG A 96 -24.527 6.651 15.953 1.00 13.48 N ATOM 1580 CZ ARG A 96 -24.978 7.055 17.155 1.00 14.77 C ATOM 1581 NH1 ARG A 96 -24.276 6.771 18.259 1.00 15.13 N ATOM 1582 NH2 ARG A 96 -26.124 7.740 17.248 1.00 15.91 N ATOM 0 H ARG A 96 -21.064 7.116 14.105 1.00 10.30 H new ATOM 0 HA ARG A 96 -19.846 4.666 13.256 1.00 9.96 H new ATOM 0 HB2 ARG A 96 -22.061 3.725 13.754 1.00 10.01 H new ATOM 0 HB3 ARG A 96 -21.319 4.600 15.078 1.00 10.01 H new ATOM 0 HG2 ARG A 96 -22.966 6.490 13.685 1.00 11.11 H new ATOM 0 HG3 ARG A 96 -23.913 5.025 13.851 1.00 11.11 H new ATOM 0 HD2 ARG A 96 -23.337 4.954 16.308 1.00 12.32 H new ATOM 0 HD3 ARG A 96 -22.441 6.450 16.127 1.00 12.32 H new ATOM 0 HE ARG A 96 -25.082 6.893 15.132 1.00 13.48 H new ATOM 0 HH11 ARG A 96 -23.402 6.250 18.188 1.00 15.13 H new ATOM 0 HH12 ARG A 96 -24.615 7.076 19.171 1.00 15.13 H new ATOM 0 HH21 ARG A 96 -26.658 7.957 16.407 1.00 15.91 H new ATOM 0 HH22 ARG A 96 -26.463 8.045 18.160 1.00 15.91 H new ATOM 1596 N LYS A 97 -21.097 3.936 11.133 1.00 10.15 N ATOM 1597 CA LYS A 97 -20.860 3.531 9.748 1.00 10.66 C ATOM 1598 C LYS A 97 -20.979 1.991 9.752 1.00 10.07 C ATOM 1599 O LYS A 97 -20.514 1.431 10.743 1.00 9.72 O ATOM 1600 CB LYS A 97 -21.600 4.390 8.702 1.00 11.84 C ATOM 1601 CG LYS A 97 -23.112 4.604 8.897 1.00 13.02 C ATOM 1602 CD LYS A 97 -23.689 5.610 7.881 1.00 14.64 C ATOM 1603 CE LYS A 97 -23.077 5.649 6.464 1.00 15.32 C ATOM 1604 NZ LYS A 97 -23.168 4.377 5.711 1.00 15.15 N ATOM 0 H LYS A 97 -21.270 3.126 11.729 1.00 10.15 H new ATOM 0 HA LYS A 97 -19.863 3.757 9.371 1.00 10.66 H new ATOM 0 HB2 LYS A 97 -21.123 5.370 8.673 1.00 11.84 H new ATOM 0 HB3 LYS A 97 -21.449 3.933 7.724 1.00 11.84 H new ATOM 0 HG2 LYS A 97 -23.629 3.650 8.796 1.00 13.02 H new ATOM 0 HG3 LYS A 97 -23.300 4.963 9.909 1.00 13.02 H new ATOM 0 HD2 LYS A 97 -24.755 5.405 7.778 1.00 14.64 H new ATOM 0 HD3 LYS A 97 -23.597 6.607 8.311 1.00 14.64 H new ATOM 0 HE2 LYS A 97 -23.575 6.431 5.890 1.00 15.32 H new ATOM 0 HE3 LYS A 97 -22.028 5.932 6.545 1.00 15.32 H new ATOM 0 HZ1 LYS A 97 -23.244 4.580 4.694 1.00 15.15 H new ATOM 0 HZ2 LYS A 97 -22.316 3.807 5.887 1.00 15.15 H new ATOM 0 HZ3 LYS A 97 -24.008 3.849 6.022 1.00 15.15 H new ATOM 1618 N LYS A 98 -21.584 1.217 8.840 1.00 10.26 N ATOM 1619 CA LYS A 98 -22.237 1.472 7.569 1.00 11.57 C ATOM 1620 C LYS A 98 -21.205 1.561 6.449 1.00 11.64 C ATOM 1621 O LYS A 98 -21.302 2.516 5.637 1.00 12.68 O ATOM 1622 CB LYS A 98 -23.313 0.407 7.287 1.00 11.86 C ATOM 1623 CG LYS A 98 -22.936 -1.067 7.541 1.00 11.40 C ATOM 1624 CD LYS A 98 -23.232 -1.535 8.982 1.00 11.89 C ATOM 1625 CE LYS A 98 -23.373 -3.061 9.107 1.00 11.86 C ATOM 1626 NZ LYS A 98 -22.210 -3.794 8.566 1.00 11.31 N ATOM 1627 OXT LYS A 98 -20.304 0.698 6.401 1.00 10.93 O ATOM 0 H LYS A 98 -21.625 0.215 9.027 1.00 10.26 H new ATOM 0 HA LYS A 98 -22.746 2.435 7.619 1.00 11.57 H new ATOM 0 HB2 LYS A 98 -24.186 0.641 7.896 1.00 11.86 H new ATOM 0 HB3 LYS A 98 -23.616 0.502 6.244 1.00 11.86 H new ATOM 0 HG2 LYS A 98 -23.482 -1.700 6.842 1.00 11.40 H new ATOM 0 HG3 LYS A 98 -21.875 -1.204 7.333 1.00 11.40 H new ATOM 0 HD2 LYS A 98 -22.431 -1.196 9.639 1.00 11.89 H new ATOM 0 HD3 LYS A 98 -24.151 -1.062 9.329 1.00 11.89 H new ATOM 0 HE2 LYS A 98 -23.505 -3.323 10.157 1.00 11.86 H new ATOM 0 HE3 LYS A 98 -24.273 -3.381 8.583 1.00 11.86 H new ATOM 0 HZ1 LYS A 98 -22.346 -4.815 8.708 1.00 11.31 H new ATOM 0 HZ2 LYS A 98 -22.117 -3.595 7.549 1.00 11.31 H new ATOM 0 HZ3 LYS A 98 -21.347 -3.488 9.059 1.00 11.31 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 -17.290 -1.519 10.987 1.00 5.31 N ATOM 1643 CA MET B 1 -18.632 -1.109 10.547 1.00 6.64 C ATOM 1644 C MET B 1 -19.001 -1.703 9.171 1.00 6.80 C ATOM 1645 O MET B 1 -19.997 -2.421 9.068 1.00 7.36 O ATOM 1646 CB MET B 1 -19.680 -1.509 11.608 1.00 7.34 C ATOM 1647 CG MET B 1 -19.378 -0.983 13.022 1.00 7.44 C ATOM 1648 SD MET B 1 -20.634 -1.323 14.283 1.00 8.46 S ATOM 1649 CE MET B 1 -21.997 -0.281 13.722 1.00 10.79 C ATOM 0 H1 MET B 1 -17.204 -1.381 12.014 1.00 5.31 H new ATOM 0 H2 MET B 1 -17.141 -2.523 10.759 1.00 5.31 H new ATOM 0 H3 MET B 1 -16.574 -0.944 10.499 1.00 5.31 H new ATOM 0 HA MET B 1 -18.626 -0.025 10.436 1.00 6.64 H new ATOM 0 HB2 MET B 1 -20.656 -1.139 11.296 1.00 7.34 H new ATOM 0 HB3 MET B 1 -19.748 -2.596 11.644 1.00 7.34 H new ATOM 0 HG2 MET B 1 -18.433 -1.413 13.354 1.00 7.44 H new ATOM 0 HG3 MET B 1 -19.234 0.096 12.963 1.00 7.44 H new ATOM 0 HE1 MET B 1 -22.778 -0.263 14.482 1.00 10.79 H new ATOM 0 HE2 MET B 1 -21.634 0.732 13.550 1.00 10.79 H new ATOM 0 HE3 MET B 1 -22.404 -0.683 12.794 1.00 10.79 H new ATOM 1661 N ALA B 2 -18.221 -1.441 8.115 1.00 6.81 N ATOM 1662 CA ALA B 2 -18.362 -2.122 6.822 1.00 6.86 C ATOM 1663 C ALA B 2 -17.945 -3.588 6.907 1.00 5.27 C ATOM 1664 O ALA B 2 -17.779 -4.125 8.004 1.00 4.69 O ATOM 1665 CB ALA B 2 -17.567 -1.358 5.754 1.00 8.13 C ATOM 0 H ALA B 2 -17.472 -0.749 8.133 1.00 6.81 H new ATOM 0 HA ALA B 2 -19.414 -2.123 6.537 1.00 6.86 H new ATOM 0 HB1 ALA B 2 -17.671 -1.862 4.793 1.00 8.13 H new ATOM 0 HB2 ALA B 2 -17.950 -0.341 5.673 1.00 8.13 H new ATOM 0 HB3 ALA B 2 -16.515 -1.328 6.036 1.00 8.13 H new ATOM 1671 N ALA B 3 -17.748 -4.188 5.730 1.00 5.12 N ATOM 1672 CA ALA B 3 -17.357 -5.566 5.489 1.00 4.37 C ATOM 1673 C ALA B 3 -18.477 -6.493 5.021 1.00 3.98 C ATOM 1674 O ALA B 3 -19.356 -6.834 5.810 1.00 4.52 O ATOM 1675 CB ALA B 3 -16.548 -6.217 6.613 1.00 4.68 C ATOM 0 H ALA B 3 -17.869 -3.676 4.856 1.00 5.12 H new ATOM 0 HA ALA B 3 -16.681 -5.447 4.642 1.00 4.37 H new ATOM 0 HB1 ALA B 3 -16.305 -7.243 6.339 1.00 4.68 H new ATOM 0 HB2 ALA B 3 -15.627 -5.655 6.771 1.00 4.68 H new ATOM 0 HB3 ALA B 3 -17.135 -6.216 7.531 1.00 4.68 H new ATOM 1681 N GLU B 4 -18.438 -6.875 3.734 1.00 3.59 N ATOM 1682 CA GLU B 4 -17.956 -8.215 3.428 1.00 2.63 C ATOM 1683 C GLU B 4 -17.442 -8.342 1.974 1.00 2.30 C ATOM 1684 O GLU B 4 -16.410 -7.726 1.723 1.00 2.24 O ATOM 1685 CB GLU B 4 -18.773 -9.354 4.061 1.00 3.24 C ATOM 1686 CG GLU B 4 -17.887 -10.600 4.136 1.00 3.79 C ATOM 1687 CD GLU B 4 -18.431 -11.593 5.152 1.00 5.29 C ATOM 1688 OE1 GLU B 4 -19.285 -12.407 4.743 1.00 6.26 O ATOM 1689 OE2 GLU B 4 -18.002 -11.490 6.321 1.00 5.90 O ATOM 0 H GLU B 4 -18.719 -6.306 2.935 1.00 3.59 H new ATOM 0 HA GLU B 4 -17.033 -8.385 3.982 1.00 2.63 H new ATOM 0 HB2 GLU B 4 -19.112 -9.069 5.057 1.00 3.24 H new ATOM 0 HB3 GLU B 4 -19.664 -9.557 3.467 1.00 3.24 H new ATOM 0 HG2 GLU B 4 -17.832 -11.071 3.155 1.00 3.79 H new ATOM 0 HG3 GLU B 4 -16.872 -10.313 4.410 1.00 3.79 H new ATOM 1696 N PRO B 5 -18.052 -9.075 1.018 1.00 2.29 N ATOM 1697 CA PRO B 5 -17.424 -9.351 -0.281 1.00 2.07 C ATOM 1698 C PRO B 5 -17.337 -8.088 -1.148 1.00 1.73 C ATOM 1699 O PRO B 5 -18.175 -7.200 -0.997 1.00 1.95 O ATOM 1700 CB PRO B 5 -18.312 -10.408 -0.940 1.00 2.44 C ATOM 1701 CG PRO B 5 -19.695 -10.074 -0.382 1.00 2.72 C ATOM 1702 CD PRO B 5 -19.378 -9.671 1.058 1.00 2.67 C ATOM 0 HA PRO B 5 -16.397 -9.696 -0.161 1.00 2.07 H new ATOM 0 HB2 PRO B 5 -18.286 -10.339 -2.027 1.00 2.44 H new ATOM 0 HB3 PRO B 5 -18.002 -11.419 -0.677 1.00 2.44 H new ATOM 0 HG2 PRO B 5 -20.172 -9.265 -0.935 1.00 2.72 H new ATOM 0 HG3 PRO B 5 -20.368 -10.930 -0.426 1.00 2.72 H new ATOM 0 HD2 PRO B 5 -20.114 -8.962 1.437 1.00 2.67 H new ATOM 0 HD3 PRO B 5 -19.398 -10.537 1.720 1.00 2.67 H new ATOM 1710 N LEU B 6 -16.327 -7.990 -2.031 1.00 1.45 N ATOM 1711 CA LEU B 6 -15.930 -6.714 -2.622 1.00 1.34 C ATOM 1712 C LEU B 6 -16.014 -6.673 -4.166 1.00 1.53 C ATOM 1713 O LEU B 6 -17.101 -6.417 -4.682 1.00 2.64 O ATOM 1714 CB LEU B 6 -14.574 -6.302 -2.032 1.00 1.35 C ATOM 1715 CG LEU B 6 -14.532 -6.253 -0.490 1.00 1.68 C ATOM 1716 CD1 LEU B 6 -13.116 -6.036 0.050 1.00 2.35 C ATOM 1717 CD2 LEU B 6 -15.436 -5.156 0.085 1.00 2.64 C ATOM 0 H LEU B 6 -15.774 -8.786 -2.347 1.00 1.45 H new ATOM 0 HA LEU B 6 -16.662 -5.954 -2.347 1.00 1.34 H new ATOM 0 HB2 LEU B 6 -13.814 -7.001 -2.381 1.00 1.35 H new ATOM 0 HB3 LEU B 6 -14.307 -5.319 -2.421 1.00 1.35 H new ATOM 0 HG LEU B 6 -14.896 -7.229 -0.169 1.00 1.68 H new ATOM 0 HD11 LEU B 6 -13.142 -6.009 1.139 1.00 2.35 H new ATOM 0 HD12 LEU B 6 -12.473 -6.853 -0.278 1.00 2.35 H new ATOM 0 HD13 LEU B 6 -12.724 -5.091 -0.327 1.00 2.35 H new ATOM 0 HD21 LEU B 6 -15.370 -5.164 1.173 1.00 2.64 H new ATOM 0 HD22 LEU B 6 -15.114 -4.185 -0.291 1.00 2.64 H new ATOM 0 HD23 LEU B 6 -16.467 -5.339 -0.218 1.00 2.64 H new ATOM 1729 N THR B 7 -14.914 -6.826 -4.922 1.00 1.55 N ATOM 1730 CA THR B 7 -14.859 -6.527 -6.362 1.00 1.56 C ATOM 1731 C THR B 7 -13.597 -7.101 -7.051 1.00 1.76 C ATOM 1732 O THR B 7 -13.529 -8.313 -7.242 1.00 2.71 O ATOM 1733 CB THR B 7 -15.116 -5.023 -6.602 1.00 1.54 C ATOM 1734 OG1 THR B 7 -14.852 -4.640 -7.937 1.00 1.44 O ATOM 1735 CG2 THR B 7 -14.283 -4.136 -5.681 1.00 1.72 C ATOM 0 H THR B 7 -14.028 -7.165 -4.546 1.00 1.55 H new ATOM 0 HA THR B 7 -15.669 -7.057 -6.863 1.00 1.56 H new ATOM 0 HB THR B 7 -16.174 -4.880 -6.384 1.00 1.54 H new ATOM 0 HG1 THR B 7 -15.029 -3.682 -8.044 1.00 1.44 H new ATOM 0 HG21 THR B 7 -14.501 -3.089 -5.890 1.00 1.72 H new ATOM 0 HG22 THR B 7 -14.529 -4.358 -4.642 1.00 1.72 H new ATOM 0 HG23 THR B 7 -13.224 -4.327 -5.852 1.00 1.72 H new ATOM 1743 N GLU B 8 -12.652 -6.253 -7.497 1.00 1.32 N ATOM 1744 CA GLU B 8 -11.404 -6.610 -8.182 1.00 1.29 C ATOM 1745 C GLU B 8 -10.198 -6.003 -7.450 1.00 1.21 C ATOM 1746 O GLU B 8 -9.431 -6.720 -6.807 1.00 1.23 O ATOM 1747 CB GLU B 8 -11.475 -6.173 -9.655 1.00 1.41 C ATOM 1748 CG GLU B 8 -10.144 -6.357 -10.404 1.00 1.35 C ATOM 1749 CD GLU B 8 -10.326 -6.146 -11.902 1.00 1.75 C ATOM 1750 OE1 GLU B 8 -10.853 -5.069 -12.257 1.00 2.04 O ATOM 1751 OE2 GLU B 8 -9.948 -7.063 -12.660 1.00 2.35 O ATOM 0 H GLU B 8 -12.748 -5.244 -7.381 1.00 1.32 H new ATOM 0 HA GLU B 8 -11.274 -7.692 -8.165 1.00 1.29 H new ATOM 0 HB2 GLU B 8 -12.252 -6.746 -10.161 1.00 1.41 H new ATOM 0 HB3 GLU B 8 -11.770 -5.125 -9.703 1.00 1.41 H new ATOM 0 HG2 GLU B 8 -9.407 -5.652 -10.021 1.00 1.35 H new ATOM 0 HG3 GLU B 8 -9.754 -7.358 -10.219 1.00 1.35 H new ATOM 1758 N LEU B 9 -10.006 -4.680 -7.551 1.00 1.17 N ATOM 1759 CA LEU B 9 -8.950 -3.982 -6.823 1.00 1.15 C ATOM 1760 C LEU B 9 -8.958 -4.375 -5.346 1.00 1.07 C ATOM 1761 O LEU B 9 -7.922 -4.755 -4.796 1.00 1.15 O ATOM 1762 CB LEU B 9 -9.097 -2.462 -6.997 1.00 1.18 C ATOM 1763 CG LEU B 9 -8.173 -1.939 -8.112 1.00 1.12 C ATOM 1764 CD1 LEU B 9 -8.566 -0.513 -8.505 1.00 1.12 C ATOM 1765 CD2 LEU B 9 -6.706 -1.918 -7.651 1.00 1.32 C ATOM 0 H LEU B 9 -10.577 -4.072 -8.137 1.00 1.17 H new ATOM 0 HA LEU B 9 -7.987 -4.279 -7.238 1.00 1.15 H new ATOM 0 HB2 LEU B 9 -10.133 -2.219 -7.235 1.00 1.18 H new ATOM 0 HB3 LEU B 9 -8.859 -1.961 -6.059 1.00 1.18 H new ATOM 0 HG LEU B 9 -8.281 -2.611 -8.963 1.00 1.12 H new ATOM 0 HD11 LEU B 9 -7.904 -0.157 -9.294 1.00 1.12 H new ATOM 0 HD12 LEU B 9 -9.595 -0.505 -8.864 1.00 1.12 H new ATOM 0 HD13 LEU B 9 -8.480 0.141 -7.637 1.00 1.12 H new ATOM 0 HD21 LEU B 9 -6.076 -1.544 -8.458 1.00 1.32 H new ATOM 0 HD22 LEU B 9 -6.607 -1.267 -6.782 1.00 1.32 H new ATOM 0 HD23 LEU B 9 -6.394 -2.928 -7.385 1.00 1.32 H new ATOM 1777 N GLU B 10 -10.131 -4.320 -4.720 1.00 0.96 N ATOM 1778 CA GLU B 10 -10.363 -4.822 -3.388 1.00 0.94 C ATOM 1779 C GLU B 10 -9.729 -6.200 -3.161 1.00 1.05 C ATOM 1780 O GLU B 10 -8.957 -6.362 -2.220 1.00 1.39 O ATOM 1781 CB GLU B 10 -11.858 -4.801 -3.096 1.00 1.05 C ATOM 1782 CG GLU B 10 -12.360 -3.391 -2.718 1.00 1.42 C ATOM 1783 CD GLU B 10 -12.722 -2.457 -3.868 1.00 2.51 C ATOM 1784 OE1 GLU B 10 -11.990 -2.475 -4.879 1.00 3.89 O ATOM 1785 OE2 GLU B 10 -13.753 -1.759 -3.729 1.00 3.12 O ATOM 0 H GLU B 10 -10.963 -3.912 -5.146 1.00 0.96 H new ATOM 0 HA GLU B 10 -9.865 -4.166 -2.674 1.00 0.94 H new ATOM 0 HB2 GLU B 10 -12.402 -5.156 -3.971 1.00 1.05 H new ATOM 0 HB3 GLU B 10 -12.077 -5.493 -2.283 1.00 1.05 H new ATOM 0 HG2 GLU B 10 -13.238 -3.503 -2.082 1.00 1.42 H new ATOM 0 HG3 GLU B 10 -11.591 -2.907 -2.117 1.00 1.42 H new ATOM 1792 N GLU B 11 -9.997 -7.190 -4.016 1.00 0.99 N ATOM 1793 CA GLU B 11 -9.401 -8.512 -3.869 1.00 0.98 C ATOM 1794 C GLU B 11 -7.872 -8.412 -3.874 1.00 0.96 C ATOM 1795 O GLU B 11 -7.193 -9.154 -3.170 1.00 1.13 O ATOM 1796 CB GLU B 11 -9.834 -9.486 -4.977 1.00 1.08 C ATOM 1797 CG GLU B 11 -11.289 -9.364 -5.431 1.00 1.69 C ATOM 1798 CD GLU B 11 -12.278 -9.100 -4.310 1.00 3.32 C ATOM 1799 OE1 GLU B 11 -12.686 -10.067 -3.636 1.00 4.12 O ATOM 1800 OE2 GLU B 11 -12.602 -7.901 -4.156 1.00 4.61 O ATOM 0 H GLU B 11 -10.623 -7.097 -4.816 1.00 0.99 H new ATOM 0 HA GLU B 11 -9.756 -8.904 -2.916 1.00 0.98 H new ATOM 0 HB2 GLU B 11 -9.188 -9.335 -5.842 1.00 1.08 H new ATOM 0 HB3 GLU B 11 -9.665 -10.504 -4.627 1.00 1.08 H new ATOM 0 HG2 GLU B 11 -11.362 -8.558 -6.161 1.00 1.69 H new ATOM 0 HG3 GLU B 11 -11.575 -10.283 -5.942 1.00 1.69 H new ATOM 1807 N SER B 12 -7.318 -7.506 -4.687 1.00 0.85 N ATOM 1808 CA SER B 12 -5.881 -7.281 -4.760 1.00 0.80 C ATOM 1809 C SER B 12 -5.344 -6.775 -3.413 1.00 0.79 C ATOM 1810 O SER B 12 -4.383 -7.325 -2.876 1.00 0.88 O ATOM 1811 CB SER B 12 -5.539 -6.335 -5.921 1.00 0.82 C ATOM 1812 OG SER B 12 -4.190 -6.501 -6.310 1.00 1.86 O ATOM 0 H SER B 12 -7.860 -6.910 -5.312 1.00 0.85 H new ATOM 0 HA SER B 12 -5.384 -8.229 -4.965 1.00 0.80 H new ATOM 0 HB2 SER B 12 -6.196 -6.536 -6.768 1.00 0.82 H new ATOM 0 HB3 SER B 12 -5.713 -5.302 -5.620 1.00 0.82 H new ATOM 0 HG SER B 12 -3.609 -6.010 -5.692 1.00 1.86 H new ATOM 1818 N ILE B 13 -5.969 -5.744 -2.833 1.00 0.74 N ATOM 1819 CA ILE B 13 -5.581 -5.310 -1.487 1.00 0.77 C ATOM 1820 C ILE B 13 -5.803 -6.431 -0.463 1.00 0.83 C ATOM 1821 O ILE B 13 -4.975 -6.613 0.431 1.00 0.89 O ATOM 1822 CB ILE B 13 -6.112 -3.907 -1.090 1.00 0.80 C ATOM 1823 CG1 ILE B 13 -7.595 -3.644 -1.349 1.00 0.78 C ATOM 1824 CG2 ILE B 13 -5.295 -2.884 -1.890 1.00 0.79 C ATOM 1825 CD1 ILE B 13 -8.471 -4.089 -0.175 1.00 0.95 C ATOM 0 H ILE B 13 -6.724 -5.208 -3.260 1.00 0.74 H new ATOM 0 HA ILE B 13 -4.505 -5.135 -1.495 1.00 0.77 H new ATOM 0 HB ILE B 13 -6.003 -3.832 -0.008 1.00 0.80 H new ATOM 0 HG12 ILE B 13 -7.748 -2.580 -1.532 1.00 0.78 H new ATOM 0 HG13 ILE B 13 -7.904 -4.171 -2.252 1.00 0.78 H new ATOM 0 HG21 ILE B 13 -5.632 -1.877 -1.645 1.00 0.79 H new ATOM 0 HG22 ILE B 13 -4.239 -2.984 -1.638 1.00 0.79 H new ATOM 0 HG23 ILE B 13 -5.432 -3.063 -2.956 1.00 0.79 H new ATOM 0 HD11 ILE B 13 -9.517 -3.883 -0.403 1.00 0.95 H new ATOM 0 HD12 ILE B 13 -8.340 -5.158 -0.008 1.00 0.95 H new ATOM 0 HD13 ILE B 13 -8.181 -3.543 0.723 1.00 0.95 H new ATOM 1837 N GLU B 14 -6.851 -7.241 -0.631 1.00 0.87 N ATOM 1838 CA GLU B 14 -7.061 -8.400 0.220 1.00 0.96 C ATOM 1839 C GLU B 14 -5.861 -9.347 0.127 1.00 0.95 C ATOM 1840 O GLU B 14 -5.227 -9.600 1.144 1.00 0.98 O ATOM 1841 CB GLU B 14 -8.399 -9.098 -0.074 1.00 1.08 C ATOM 1842 CG GLU B 14 -8.963 -9.756 1.198 1.00 1.19 C ATOM 1843 CD GLU B 14 -8.000 -10.750 1.839 1.00 1.89 C ATOM 1844 OE1 GLU B 14 -7.597 -11.690 1.123 1.00 3.11 O ATOM 1845 OE2 GLU B 14 -7.657 -10.531 3.021 1.00 2.77 O ATOM 0 H GLU B 14 -7.563 -7.110 -1.350 1.00 0.87 H new ATOM 0 HA GLU B 14 -7.132 -8.061 1.253 1.00 0.96 H new ATOM 0 HB2 GLU B 14 -9.115 -8.373 -0.462 1.00 1.08 H new ATOM 0 HB3 GLU B 14 -8.258 -9.853 -0.848 1.00 1.08 H new ATOM 0 HG2 GLU B 14 -9.209 -8.979 1.922 1.00 1.19 H new ATOM 0 HG3 GLU B 14 -9.893 -10.268 0.952 1.00 1.19 H new ATOM 1852 N THR B 15 -5.499 -9.842 -1.064 1.00 0.94 N ATOM 1853 CA THR B 15 -4.495 -10.898 -1.192 1.00 0.95 C ATOM 1854 C THR B 15 -3.192 -10.537 -0.454 1.00 0.95 C ATOM 1855 O THR B 15 -2.575 -11.383 0.200 1.00 1.03 O ATOM 1856 CB THR B 15 -4.306 -11.368 -2.649 1.00 0.99 C ATOM 1857 OG1 THR B 15 -3.696 -12.643 -2.669 1.00 1.31 O ATOM 1858 CG2 THR B 15 -3.494 -10.438 -3.548 1.00 0.93 C ATOM 0 H THR B 15 -5.889 -9.525 -1.952 1.00 0.94 H new ATOM 0 HA THR B 15 -4.877 -11.781 -0.680 1.00 0.95 H new ATOM 0 HB THR B 15 -5.316 -11.382 -3.059 1.00 0.99 H new ATOM 0 HG1 THR B 15 -3.580 -12.936 -3.597 1.00 1.31 H new ATOM 0 HG21 THR B 15 -3.425 -10.867 -4.548 1.00 0.93 H new ATOM 0 HG22 THR B 15 -3.984 -9.466 -3.603 1.00 0.93 H new ATOM 0 HG23 THR B 15 -2.492 -10.316 -3.136 1.00 0.93 H new ATOM 1866 N VAL B 16 -2.785 -9.266 -0.508 1.00 0.90 N ATOM 1867 CA VAL B 16 -1.619 -8.800 0.235 1.00 0.88 C ATOM 1868 C VAL B 16 -1.919 -8.682 1.737 1.00 0.91 C ATOM 1869 O VAL B 16 -1.074 -9.056 2.550 1.00 0.95 O ATOM 1870 CB VAL B 16 -0.998 -7.532 -0.376 1.00 0.84 C ATOM 1871 CG1 VAL B 16 -0.588 -7.784 -1.834 1.00 0.90 C ATOM 1872 CG2 VAL B 16 -1.911 -6.305 -0.321 1.00 0.84 C ATOM 0 H VAL B 16 -3.248 -8.544 -1.060 1.00 0.90 H new ATOM 0 HA VAL B 16 -0.845 -9.562 0.142 1.00 0.88 H new ATOM 0 HB VAL B 16 -0.126 -7.310 0.239 1.00 0.84 H new ATOM 0 HG11 VAL B 16 -0.151 -6.877 -2.251 1.00 0.90 H new ATOM 0 HG12 VAL B 16 0.144 -8.591 -1.872 1.00 0.90 H new ATOM 0 HG13 VAL B 16 -1.466 -8.064 -2.416 1.00 0.90 H new ATOM 0 HG21 VAL B 16 -1.402 -5.452 -0.771 1.00 0.84 H new ATOM 0 HG22 VAL B 16 -2.830 -6.510 -0.870 1.00 0.84 H new ATOM 0 HG23 VAL B 16 -2.152 -6.077 0.717 1.00 0.84 H new ATOM 1882 N VAL B 17 -3.107 -8.204 2.128 1.00 0.92 N ATOM 1883 CA VAL B 17 -3.530 -8.190 3.526 1.00 0.97 C ATOM 1884 C VAL B 17 -3.513 -9.604 4.120 1.00 1.02 C ATOM 1885 O VAL B 17 -2.955 -9.797 5.198 1.00 1.09 O ATOM 1886 CB VAL B 17 -4.888 -7.482 3.691 1.00 0.99 C ATOM 1887 CG1 VAL B 17 -5.529 -7.741 5.061 1.00 1.10 C ATOM 1888 CG2 VAL B 17 -4.688 -5.969 3.542 1.00 0.97 C ATOM 0 H VAL B 17 -3.797 -7.818 1.483 1.00 0.92 H new ATOM 0 HA VAL B 17 -2.810 -7.605 4.099 1.00 0.97 H new ATOM 0 HB VAL B 17 -5.551 -7.881 2.923 1.00 0.99 H new ATOM 0 HG11 VAL B 17 -6.483 -7.218 5.121 1.00 1.10 H new ATOM 0 HG12 VAL B 17 -5.693 -8.811 5.190 1.00 1.10 H new ATOM 0 HG13 VAL B 17 -4.867 -7.379 5.847 1.00 1.10 H new ATOM 0 HG21 VAL B 17 -5.646 -5.462 3.658 1.00 0.97 H new ATOM 0 HG22 VAL B 17 -3.996 -5.616 4.307 1.00 0.97 H new ATOM 0 HG23 VAL B 17 -4.279 -5.751 2.555 1.00 0.97 H new ATOM 1898 N THR B 18 -4.086 -10.606 3.451 1.00 1.03 N ATOM 1899 CA THR B 18 -4.041 -11.975 3.946 1.00 1.10 C ATOM 1900 C THR B 18 -2.599 -12.497 3.978 1.00 1.15 C ATOM 1901 O THR B 18 -2.231 -13.175 4.937 1.00 1.31 O ATOM 1902 CB THR B 18 -5.031 -12.900 3.219 1.00 1.19 C ATOM 1903 OG1 THR B 18 -5.039 -14.186 3.815 1.00 1.25 O ATOM 1904 CG2 THR B 18 -4.726 -13.032 1.734 1.00 1.32 C ATOM 0 H THR B 18 -4.584 -10.492 2.568 1.00 1.03 H new ATOM 0 HA THR B 18 -4.387 -11.972 4.980 1.00 1.10 H new ATOM 0 HB THR B 18 -6.014 -12.440 3.316 1.00 1.19 H new ATOM 0 HG1 THR B 18 -5.675 -14.762 3.342 1.00 1.25 H new ATOM 0 HG21 THR B 18 -5.455 -13.696 1.270 1.00 1.32 H new ATOM 0 HG22 THR B 18 -4.778 -12.050 1.263 1.00 1.32 H new ATOM 0 HG23 THR B 18 -3.726 -13.444 1.603 1.00 1.32 H new ATOM 1912 N THR B 19 -1.749 -12.182 2.989 1.00 1.06 N ATOM 1913 CA THR B 19 -0.342 -12.574 3.061 1.00 1.11 C ATOM 1914 C THR B 19 0.294 -11.985 4.327 1.00 1.13 C ATOM 1915 O THR B 19 0.862 -12.712 5.145 1.00 1.23 O ATOM 1916 CB THR B 19 0.393 -12.149 1.779 1.00 1.08 C ATOM 1917 OG1 THR B 19 -0.227 -12.744 0.660 1.00 1.14 O ATOM 1918 CG2 THR B 19 1.853 -12.604 1.792 1.00 1.09 C ATOM 0 H THR B 19 -2.008 -11.667 2.148 1.00 1.06 H new ATOM 0 HA THR B 19 -0.261 -13.659 3.129 1.00 1.11 H new ATOM 0 HB THR B 19 0.352 -11.061 1.725 1.00 1.08 H new ATOM 0 HG1 THR B 19 -1.011 -12.216 0.401 1.00 1.14 H new ATOM 0 HG21 THR B 19 2.341 -12.286 0.871 1.00 1.09 H new ATOM 0 HG22 THR B 19 2.365 -12.160 2.646 1.00 1.09 H new ATOM 0 HG23 THR B 19 1.895 -13.690 1.869 1.00 1.09 H new ATOM 1926 N PHE B 20 0.156 -10.669 4.508 1.00 1.08 N ATOM 1927 CA PHE B 20 0.565 -9.961 5.713 1.00 1.10 C ATOM 1928 C PHE B 20 0.066 -10.700 6.958 1.00 1.18 C ATOM 1929 O PHE B 20 0.867 -11.059 7.813 1.00 1.26 O ATOM 1930 CB PHE B 20 0.068 -8.509 5.645 1.00 1.11 C ATOM 1931 CG PHE B 20 -0.020 -7.783 6.972 1.00 1.58 C ATOM 1932 CD1 PHE B 20 1.128 -7.197 7.531 1.00 2.54 C ATOM 1933 CD2 PHE B 20 -1.250 -7.693 7.651 1.00 2.75 C ATOM 1934 CE1 PHE B 20 1.027 -6.436 8.707 1.00 3.33 C ATOM 1935 CE2 PHE B 20 -1.325 -7.031 8.889 1.00 3.71 C ATOM 1936 CZ PHE B 20 -0.186 -6.396 9.415 1.00 3.68 C ATOM 0 H PHE B 20 -0.253 -10.057 3.802 1.00 1.08 H new ATOM 0 HA PHE B 20 1.652 -9.933 5.782 1.00 1.10 H new ATOM 0 HB2 PHE B 20 0.732 -7.947 4.988 1.00 1.11 H new ATOM 0 HB3 PHE B 20 -0.919 -8.503 5.182 1.00 1.11 H new ATOM 0 HD1 PHE B 20 2.089 -7.332 7.056 1.00 2.54 H new ATOM 0 HD2 PHE B 20 -2.137 -8.133 7.220 1.00 2.75 H new ATOM 0 HE1 PHE B 20 1.881 -5.882 9.067 1.00 3.33 H new ATOM 0 HE2 PHE B 20 -2.256 -7.010 9.435 1.00 3.71 H new ATOM 0 HZ PHE B 20 -0.243 -5.879 10.361 1.00 3.68 H new ATOM 1946 N PHE B 21 -1.238 -10.961 7.041 1.00 1.22 N ATOM 1947 CA PHE B 21 -1.882 -11.638 8.161 1.00 1.38 C ATOM 1948 C PHE B 21 -1.234 -12.998 8.437 1.00 1.50 C ATOM 1949 O PHE B 21 -0.928 -13.328 9.585 1.00 1.58 O ATOM 1950 CB PHE B 21 -3.376 -11.791 7.862 1.00 1.56 C ATOM 1951 CG PHE B 21 -4.192 -12.426 8.969 1.00 1.93 C ATOM 1952 CD1 PHE B 21 -4.587 -11.660 10.081 1.00 1.78 C ATOM 1953 CD2 PHE B 21 -4.665 -13.745 8.824 1.00 3.43 C ATOM 1954 CE1 PHE B 21 -5.524 -12.175 10.992 1.00 2.22 C ATOM 1955 CE2 PHE B 21 -5.593 -14.264 9.743 1.00 3.91 C ATOM 1956 CZ PHE B 21 -6.049 -13.466 10.806 1.00 3.01 C ATOM 0 H PHE B 21 -1.894 -10.698 6.306 1.00 1.22 H new ATOM 0 HA PHE B 21 -1.754 -11.036 9.061 1.00 1.38 H new ATOM 0 HB2 PHE B 21 -3.790 -10.806 7.646 1.00 1.56 H new ATOM 0 HB3 PHE B 21 -3.490 -12.390 6.958 1.00 1.56 H new ATOM 0 HD1 PHE B 21 -4.170 -10.676 10.234 1.00 1.78 H new ATOM 0 HD2 PHE B 21 -4.314 -14.357 8.006 1.00 3.43 H new ATOM 0 HE1 PHE B 21 -5.841 -11.579 11.835 1.00 2.22 H new ATOM 0 HE2 PHE B 21 -5.955 -15.275 9.632 1.00 3.91 H new ATOM 0 HZ PHE B 21 -6.803 -13.844 11.480 1.00 3.01 H new ATOM 1966 N THR B 22 -1.011 -13.781 7.378 1.00 1.56 N ATOM 1967 CA THR B 22 -0.382 -15.091 7.468 1.00 1.78 C ATOM 1968 C THR B 22 0.964 -14.978 8.183 1.00 1.58 C ATOM 1969 O THR B 22 1.249 -15.776 9.073 1.00 1.69 O ATOM 1970 CB THR B 22 -0.258 -15.730 6.075 1.00 2.03 C ATOM 1971 OG1 THR B 22 -1.533 -15.791 5.471 1.00 2.31 O ATOM 1972 CG2 THR B 22 0.285 -17.159 6.154 1.00 3.20 C ATOM 0 H THR B 22 -1.267 -13.516 6.427 1.00 1.56 H new ATOM 0 HA THR B 22 -1.011 -15.754 8.062 1.00 1.78 H new ATOM 0 HB THR B 22 0.430 -15.116 5.495 1.00 2.03 H new ATOM 0 HG1 THR B 22 -1.789 -14.899 5.157 1.00 2.31 H new ATOM 0 HG21 THR B 22 0.358 -17.576 5.150 1.00 3.20 H new ATOM 0 HG22 THR B 22 1.273 -17.148 6.615 1.00 3.20 H new ATOM 0 HG23 THR B 22 -0.389 -17.772 6.753 1.00 3.20 H new ATOM 1980 N PHE B 23 1.774 -13.971 7.844 1.00 1.35 N ATOM 1981 CA PHE B 23 2.982 -13.701 8.617 1.00 1.17 C ATOM 1982 C PHE B 23 2.634 -13.193 10.015 1.00 1.04 C ATOM 1983 O PHE B 23 3.179 -13.670 11.000 1.00 1.09 O ATOM 1984 CB PHE B 23 3.908 -12.724 7.882 1.00 1.17 C ATOM 1985 CG PHE B 23 4.572 -13.309 6.650 1.00 1.26 C ATOM 1986 CD1 PHE B 23 5.630 -14.223 6.800 1.00 2.17 C ATOM 1987 CD2 PHE B 23 4.134 -12.954 5.361 1.00 2.45 C ATOM 1988 CE1 PHE B 23 6.238 -14.794 5.667 1.00 2.54 C ATOM 1989 CE2 PHE B 23 4.728 -13.541 4.228 1.00 3.09 C ATOM 1990 CZ PHE B 23 5.768 -14.473 4.382 1.00 2.63 C ATOM 0 H PHE B 23 1.618 -13.343 7.056 1.00 1.35 H new ATOM 0 HA PHE B 23 3.523 -14.641 8.729 1.00 1.17 H new ATOM 0 HB2 PHE B 23 3.333 -11.845 7.589 1.00 1.17 H new ATOM 0 HB3 PHE B 23 4.681 -12.384 8.571 1.00 1.17 H new ATOM 0 HD1 PHE B 23 5.977 -14.487 7.788 1.00 2.17 H new ATOM 0 HD2 PHE B 23 3.341 -12.230 5.241 1.00 2.45 H new ATOM 0 HE1 PHE B 23 7.065 -15.478 5.785 1.00 2.54 H new ATOM 0 HE2 PHE B 23 4.384 -13.275 3.239 1.00 3.09 H new ATOM 0 HZ PHE B 23 6.206 -14.942 3.514 1.00 2.63 H new ATOM 2000 N ALA B 24 1.723 -12.231 10.116 1.00 1.01 N ATOM 2001 CA ALA B 24 1.407 -11.484 11.321 1.00 1.03 C ATOM 2002 C ALA B 24 0.985 -12.406 12.452 1.00 1.17 C ATOM 2003 O ALA B 24 1.196 -12.070 13.621 1.00 1.21 O ATOM 2004 CB ALA B 24 0.293 -10.466 11.057 1.00 1.12 C ATOM 0 H ALA B 24 1.159 -11.939 9.318 1.00 1.01 H new ATOM 0 HA ALA B 24 2.314 -10.958 11.618 1.00 1.03 H new ATOM 0 HB1 ALA B 24 0.075 -9.919 11.974 1.00 1.12 H new ATOM 0 HB2 ALA B 24 0.615 -9.766 10.286 1.00 1.12 H new ATOM 0 HB3 ALA B 24 -0.604 -10.987 10.723 1.00 1.12 H new ATOM 2010 N ARG B 25 0.366 -13.539 12.116 1.00 1.28 N ATOM 2011 CA ARG B 25 -0.066 -14.508 13.108 1.00 1.41 C ATOM 2012 C ARG B 25 1.099 -15.197 13.800 1.00 1.55 C ATOM 2013 O ARG B 25 0.863 -15.870 14.802 1.00 1.85 O ATOM 2014 CB ARG B 25 -1.042 -15.535 12.507 1.00 1.54 C ATOM 2015 CG ARG B 25 -0.372 -16.596 11.614 1.00 2.00 C ATOM 2016 CD ARG B 25 -0.402 -18.026 12.187 1.00 2.14 C ATOM 2017 NE ARG B 25 0.373 -18.159 13.437 1.00 2.07 N ATOM 2018 CZ ARG B 25 1.047 -19.242 13.857 1.00 2.80 C ATOM 2019 NH1 ARG B 25 0.881 -20.414 13.234 1.00 3.35 N ATOM 2020 NH2 ARG B 25 1.884 -19.152 14.898 1.00 3.78 N ATOM 0 H ARG B 25 0.154 -13.804 11.154 1.00 1.28 H new ATOM 0 HA ARG B 25 -0.599 -13.946 13.875 1.00 1.41 H new ATOM 0 HB2 ARG B 25 -1.567 -16.039 13.319 1.00 1.54 H new ATOM 0 HB3 ARG B 25 -1.794 -15.006 11.921 1.00 1.54 H new ATOM 0 HG2 ARG B 25 -0.865 -16.598 10.642 1.00 2.00 H new ATOM 0 HG3 ARG B 25 0.666 -16.308 11.445 1.00 2.00 H new ATOM 0 HD2 ARG B 25 -1.436 -18.316 12.374 1.00 2.14 H new ATOM 0 HD3 ARG B 25 -0.006 -18.718 11.444 1.00 2.14 H new ATOM 0 HE ARG B 25 0.399 -17.341 14.046 1.00 2.07 H new ATOM 0 HH11 ARG B 25 0.243 -20.484 12.441 1.00 3.35 H new ATOM 0 HH12 ARG B 25 1.392 -21.237 13.552 1.00 3.35 H new ATOM 0 HH21 ARG B 25 2.011 -18.259 15.374 1.00 3.78 H new ATOM 0 HH22 ARG B 25 2.394 -19.976 15.215 1.00 3.78 H new ATOM 2034 N GLN B 26 2.299 -15.176 13.215 1.00 1.43 N ATOM 2035 CA GLN B 26 3.333 -16.125 13.577 1.00 1.46 C ATOM 2036 C GLN B 26 3.637 -16.081 15.077 1.00 1.50 C ATOM 2037 O GLN B 26 3.373 -17.081 15.749 1.00 1.56 O ATOM 2038 CB GLN B 26 4.586 -15.780 12.757 1.00 1.39 C ATOM 2039 CG GLN B 26 5.932 -16.193 13.351 1.00 1.21 C ATOM 2040 CD GLN B 26 6.962 -16.637 12.313 1.00 2.51 C ATOM 2041 OE1 GLN B 26 6.710 -17.570 11.557 1.00 3.08 O ATOM 2042 NE2 GLN B 26 8.128 -16.001 12.299 1.00 3.75 N ATOM 0 H GLN B 26 2.570 -14.510 12.491 1.00 1.43 H new ATOM 0 HA GLN B 26 2.997 -17.139 13.358 1.00 1.46 H new ATOM 0 HB2 GLN B 26 4.490 -16.246 11.777 1.00 1.39 H new ATOM 0 HB3 GLN B 26 4.601 -14.702 12.597 1.00 1.39 H new ATOM 0 HG2 GLN B 26 6.340 -15.355 13.917 1.00 1.21 H new ATOM 0 HG3 GLN B 26 5.771 -17.007 14.058 1.00 1.21 H new ATOM 0 HE21 GLN B 26 8.296 -15.230 12.945 1.00 3.75 H new ATOM 0 HE22 GLN B 26 8.855 -16.284 11.642 1.00 3.75 H new ATOM 2051 N GLU B 27 4.224 -14.985 15.576 1.00 1.51 N ATOM 2052 CA GLU B 27 4.860 -15.052 16.887 1.00 1.58 C ATOM 2053 C GLU B 27 3.936 -14.708 18.057 1.00 1.59 C ATOM 2054 O GLU B 27 3.433 -15.590 18.749 1.00 1.71 O ATOM 2055 CB GLU B 27 6.200 -14.283 16.870 1.00 1.76 C ATOM 2056 CG GLU B 27 6.381 -13.001 16.028 1.00 1.90 C ATOM 2057 CD GLU B 27 5.704 -11.719 16.507 1.00 3.31 C ATOM 2058 OE1 GLU B 27 4.455 -11.631 16.393 1.00 4.49 O ATOM 2059 OE2 GLU B 27 6.428 -10.814 16.956 1.00 3.85 O ATOM 0 H GLU B 27 4.270 -14.079 15.110 1.00 1.51 H new ATOM 0 HA GLU B 27 5.095 -16.098 17.084 1.00 1.58 H new ATOM 0 HB2 GLU B 27 6.428 -14.019 17.903 1.00 1.76 H new ATOM 0 HB3 GLU B 27 6.966 -14.987 16.545 1.00 1.76 H new ATOM 0 HG2 GLU B 27 7.450 -12.803 15.949 1.00 1.90 H new ATOM 0 HG3 GLU B 27 6.021 -13.211 15.021 1.00 1.90 H new ATOM 2066 N GLY B 28 3.645 -13.423 18.219 1.00 1.75 N ATOM 2067 CA GLY B 28 2.495 -12.857 18.880 1.00 1.89 C ATOM 2068 C GLY B 28 1.375 -12.642 17.876 1.00 1.78 C ATOM 2069 O GLY B 28 1.654 -12.429 16.690 1.00 1.88 O ATOM 0 H GLY B 28 4.264 -12.697 17.858 1.00 1.75 H new ATOM 0 HA2 GLY B 28 2.159 -13.521 19.676 1.00 1.89 H new ATOM 0 HA3 GLY B 28 2.763 -11.909 19.347 1.00 1.89 H new ATOM 2073 N ARG B 29 0.152 -12.522 18.400 1.00 1.92 N ATOM 2074 CA ARG B 29 -0.874 -11.593 17.940 1.00 2.04 C ATOM 2075 C ARG B 29 -0.935 -11.357 16.431 1.00 1.78 C ATOM 2076 O ARG B 29 -0.114 -10.622 15.869 1.00 1.51 O ATOM 2077 CB ARG B 29 -0.781 -10.265 18.697 1.00 2.19 C ATOM 2078 CG ARG B 29 -2.063 -9.455 18.463 1.00 2.81 C ATOM 2079 CD ARG B 29 -2.062 -8.121 19.211 1.00 2.40 C ATOM 2080 NE ARG B 29 -3.233 -7.335 18.799 1.00 3.56 N ATOM 2081 CZ ARG B 29 -3.726 -6.240 19.387 1.00 3.80 C ATOM 2082 NH1 ARG B 29 -3.169 -5.749 20.500 1.00 3.23 N ATOM 2083 NH2 ARG B 29 -4.785 -5.658 18.823 1.00 5.26 N ATOM 0 H ARG B 29 -0.159 -13.093 19.186 1.00 1.92 H new ATOM 0 HA ARG B 29 -1.815 -12.093 18.171 1.00 2.04 H new ATOM 0 HB2 ARG B 29 -0.644 -10.450 19.762 1.00 2.19 H new ATOM 0 HB3 ARG B 29 0.087 -9.700 18.357 1.00 2.19 H new ATOM 0 HG2 ARG B 29 -2.180 -9.268 17.396 1.00 2.81 H new ATOM 0 HG3 ARG B 29 -2.923 -10.044 18.780 1.00 2.81 H new ATOM 0 HD2 ARG B 29 -2.085 -8.294 20.287 1.00 2.40 H new ATOM 0 HD3 ARG B 29 -1.146 -7.571 18.996 1.00 2.40 H new ATOM 0 HE ARG B 29 -3.727 -7.662 17.969 1.00 3.56 H new ATOM 0 HH11 ARG B 29 -2.358 -6.211 20.911 1.00 3.23 H new ATOM 0 HH12 ARG B 29 -3.556 -4.913 20.938 1.00 3.23 H new ATOM 0 HH21 ARG B 29 -5.190 -6.050 17.973 1.00 5.26 H new ATOM 0 HH22 ARG B 29 -5.190 -4.821 19.242 1.00 5.26 H new ATOM 2097 N LYS B 30 -1.944 -11.952 15.792 1.00 1.90 N ATOM 2098 CA LYS B 30 -2.259 -11.770 14.384 1.00 1.70 C ATOM 2099 C LYS B 30 -2.796 -10.365 14.028 1.00 1.66 C ATOM 2100 O LYS B 30 -3.770 -10.242 13.289 1.00 2.11 O ATOM 2101 CB LYS B 30 -3.208 -12.904 13.947 1.00 1.99 C ATOM 2102 CG LYS B 30 -4.602 -12.858 14.598 1.00 2.40 C ATOM 2103 CD LYS B 30 -5.325 -14.191 14.346 1.00 2.89 C ATOM 2104 CE LYS B 30 -6.826 -14.131 14.672 1.00 3.47 C ATOM 2105 NZ LYS B 30 -7.094 -13.860 16.100 1.00 3.33 N ATOM 0 H LYS B 30 -2.583 -12.594 16.261 1.00 1.90 H new ATOM 0 HA LYS B 30 -1.329 -11.830 13.818 1.00 1.70 H new ATOM 0 HB2 LYS B 30 -3.325 -12.865 12.864 1.00 1.99 H new ATOM 0 HB3 LYS B 30 -2.742 -13.861 14.183 1.00 1.99 H new ATOM 0 HG2 LYS B 30 -4.510 -12.678 15.669 1.00 2.40 H new ATOM 0 HG3 LYS B 30 -5.182 -12.033 14.185 1.00 2.40 H new ATOM 0 HD2 LYS B 30 -5.197 -14.476 13.302 1.00 2.89 H new ATOM 0 HD3 LYS B 30 -4.859 -14.970 14.949 1.00 2.89 H new ATOM 0 HE2 LYS B 30 -7.293 -13.355 14.066 1.00 3.47 H new ATOM 0 HE3 LYS B 30 -7.291 -15.076 14.393 1.00 3.47 H new ATOM 0 HZ1 LYS B 30 -8.121 -13.831 16.261 1.00 3.33 H new ATOM 0 HZ2 LYS B 30 -6.674 -14.613 16.681 1.00 3.33 H new ATOM 0 HZ3 LYS B 30 -6.676 -12.945 16.364 1.00 3.33 H new ATOM 2119 N ASP B 31 -2.142 -9.316 14.532 1.00 1.55 N ATOM 2120 CA ASP B 31 -2.321 -7.918 14.153 1.00 1.53 C ATOM 2121 C ASP B 31 -0.929 -7.378 13.833 1.00 1.54 C ATOM 2122 O ASP B 31 -0.678 -6.864 12.746 1.00 1.73 O ATOM 2123 CB ASP B 31 -2.895 -7.079 15.313 1.00 1.59 C ATOM 2124 CG ASP B 31 -4.403 -7.141 15.493 1.00 2.60 C ATOM 2125 OD1 ASP B 31 -5.130 -7.042 14.480 1.00 3.53 O ATOM 2126 OD2 ASP B 31 -4.828 -7.164 16.672 1.00 3.43 O ATOM 0 H ASP B 31 -1.433 -9.429 15.257 1.00 1.55 H new ATOM 0 HA ASP B 31 -3.014 -7.855 13.314 1.00 1.53 H new ATOM 0 HB2 ASP B 31 -2.424 -7.406 16.240 1.00 1.59 H new ATOM 0 HB3 ASP B 31 -2.609 -6.038 15.160 1.00 1.59 H new ATOM 2131 N SER B 32 -0.044 -7.466 14.828 1.00 1.47 N ATOM 2132 CA SER B 32 1.228 -6.781 14.875 1.00 1.38 C ATOM 2133 C SER B 32 2.372 -7.639 14.344 1.00 1.26 C ATOM 2134 O SER B 32 2.402 -8.868 14.533 1.00 1.30 O ATOM 2135 CB SER B 32 1.478 -6.391 16.331 1.00 1.57 C ATOM 2136 OG SER B 32 0.982 -7.394 17.205 1.00 2.21 O ATOM 0 H SER B 32 -0.211 -8.043 15.652 1.00 1.47 H new ATOM 0 HA SER B 32 1.190 -5.902 14.231 1.00 1.38 H new ATOM 0 HB2 SER B 32 2.546 -6.250 16.498 1.00 1.57 H new ATOM 0 HB3 SER B 32 0.993 -5.439 16.547 1.00 1.57 H new ATOM 0 HG SER B 32 1.151 -7.131 18.134 1.00 2.21 H new ATOM 2142 N LEU B 33 3.327 -6.949 13.717 1.00 1.18 N ATOM 2143 CA LEU B 33 4.570 -7.491 13.189 1.00 1.02 C ATOM 2144 C LEU B 33 5.691 -7.121 14.156 1.00 1.03 C ATOM 2145 O LEU B 33 5.596 -6.122 14.865 1.00 1.35 O ATOM 2146 CB LEU B 33 4.814 -6.903 11.789 1.00 0.92 C ATOM 2147 CG LEU B 33 4.153 -7.662 10.630 1.00 0.95 C ATOM 2148 CD1 LEU B 33 4.934 -8.924 10.269 1.00 2.10 C ATOM 2149 CD2 LEU B 33 2.695 -8.014 10.920 1.00 1.73 C ATOM 0 H LEU B 33 3.245 -5.945 13.558 1.00 1.18 H new ATOM 0 HA LEU B 33 4.527 -8.576 13.095 1.00 1.02 H new ATOM 0 HB2 LEU B 33 4.455 -5.874 11.778 1.00 0.92 H new ATOM 0 HB3 LEU B 33 5.889 -6.867 11.611 1.00 0.92 H new ATOM 0 HG LEU B 33 4.168 -6.985 9.776 1.00 0.95 H new ATOM 0 HD11 LEU B 33 4.437 -9.436 9.445 1.00 2.10 H new ATOM 0 HD12 LEU B 33 5.946 -8.652 9.970 1.00 2.10 H new ATOM 0 HD13 LEU B 33 4.976 -9.586 11.134 1.00 2.10 H new ATOM 0 HD21 LEU B 33 2.274 -8.550 10.069 1.00 1.73 H new ATOM 0 HD22 LEU B 33 2.643 -8.644 11.808 1.00 1.73 H new ATOM 0 HD23 LEU B 33 2.127 -7.099 11.090 1.00 1.73 H new ATOM 2161 N SER B 34 6.762 -7.912 14.175 1.00 1.09 N ATOM 2162 CA SER B 34 7.999 -7.582 14.859 1.00 1.00 C ATOM 2163 C SER B 34 9.123 -8.339 14.164 1.00 1.07 C ATOM 2164 O SER B 34 8.879 -9.101 13.222 1.00 1.52 O ATOM 2165 CB SER B 34 7.943 -7.898 16.356 1.00 1.30 C ATOM 2166 OG SER B 34 9.069 -7.305 16.982 1.00 2.61 O ATOM 0 H SER B 34 6.789 -8.817 13.705 1.00 1.09 H new ATOM 0 HA SER B 34 8.173 -6.508 14.801 1.00 1.00 H new ATOM 0 HB2 SER B 34 7.021 -7.512 16.791 1.00 1.30 H new ATOM 0 HB3 SER B 34 7.944 -8.976 16.516 1.00 1.30 H new ATOM 0 HG SER B 34 8.841 -6.397 17.273 1.00 2.61 H new ATOM 2172 N VAL B 35 10.361 -8.121 14.602 1.00 0.95 N ATOM 2173 CA VAL B 35 11.536 -8.613 13.891 1.00 1.00 C ATOM 2174 C VAL B 35 11.848 -10.062 14.274 1.00 1.18 C ATOM 2175 O VAL B 35 12.989 -10.433 14.529 1.00 2.35 O ATOM 2176 CB VAL B 35 12.700 -7.631 14.117 1.00 1.33 C ATOM 2177 CG1 VAL B 35 13.216 -7.560 15.561 1.00 1.38 C ATOM 2178 CG2 VAL B 35 13.857 -7.832 13.129 1.00 2.73 C ATOM 0 H VAL B 35 10.576 -7.602 15.453 1.00 0.95 H new ATOM 0 HA VAL B 35 11.349 -8.648 12.818 1.00 1.00 H new ATOM 0 HB VAL B 35 12.251 -6.659 13.915 1.00 1.33 H new ATOM 0 HG11 VAL B 35 14.034 -6.843 15.620 1.00 1.38 H new ATOM 0 HG12 VAL B 35 12.408 -7.244 16.221 1.00 1.38 H new ATOM 0 HG13 VAL B 35 13.572 -8.543 15.869 1.00 1.38 H new ATOM 0 HG21 VAL B 35 14.646 -7.110 13.341 1.00 2.73 H new ATOM 0 HG22 VAL B 35 14.253 -8.842 13.233 1.00 2.73 H new ATOM 0 HG23 VAL B 35 13.496 -7.687 12.111 1.00 2.73 H new ATOM 2188 N ASN B 36 10.837 -10.920 14.136 1.00 0.99 N ATOM 2189 CA ASN B 36 10.997 -12.326 13.809 1.00 1.09 C ATOM 2190 C ASN B 36 9.665 -12.770 13.209 1.00 1.00 C ATOM 2191 O ASN B 36 9.022 -13.717 13.662 1.00 1.37 O ATOM 2192 CB ASN B 36 11.411 -13.114 15.056 1.00 1.51 C ATOM 2193 CG ASN B 36 11.991 -14.478 14.681 1.00 1.82 C ATOM 2194 OD1 ASN B 36 13.168 -14.739 14.905 1.00 2.50 O ATOM 2195 ND2 ASN B 36 11.185 -15.354 14.092 1.00 1.83 N ATOM 0 H ASN B 36 9.862 -10.644 14.253 1.00 0.99 H new ATOM 0 HA ASN B 36 11.793 -12.508 13.087 1.00 1.09 H new ATOM 0 HB2 ASN B 36 12.149 -12.545 15.621 1.00 1.51 H new ATOM 0 HB3 ASN B 36 10.547 -13.250 15.707 1.00 1.51 H new ATOM 0 HD21 ASN B 36 11.541 -16.269 13.815 1.00 1.83 H new ATOM 0 HD22 ASN B 36 10.210 -15.112 13.917 1.00 1.83 H new ATOM 2202 N GLU B 37 9.264 -12.031 12.177 1.00 0.96 N ATOM 2203 CA GLU B 37 7.968 -12.092 11.530 1.00 0.93 C ATOM 2204 C GLU B 37 8.057 -11.204 10.298 1.00 0.84 C ATOM 2205 O GLU B 37 7.798 -11.620 9.173 1.00 0.90 O ATOM 2206 CB GLU B 37 6.878 -11.580 12.485 1.00 1.05 C ATOM 2207 CG GLU B 37 5.711 -12.558 12.443 1.00 1.26 C ATOM 2208 CD GLU B 37 4.523 -12.073 13.266 1.00 1.49 C ATOM 2209 OE1 GLU B 37 4.233 -10.864 13.334 1.00 1.63 O ATOM 2210 OE2 GLU B 37 3.841 -12.850 13.964 1.00 2.22 O ATOM 0 H GLU B 37 9.875 -11.335 11.750 1.00 0.96 H new ATOM 0 HA GLU B 37 7.709 -13.114 11.255 1.00 0.93 H new ATOM 0 HB2 GLU B 37 7.269 -11.498 13.499 1.00 1.05 H new ATOM 0 HB3 GLU B 37 6.550 -10.584 12.188 1.00 1.05 H new ATOM 0 HG2 GLU B 37 5.399 -12.704 11.409 1.00 1.26 H new ATOM 0 HG3 GLU B 37 6.038 -13.528 12.817 1.00 1.26 H new ATOM 2217 N PHE B 38 8.493 -9.966 10.537 1.00 0.78 N ATOM 2218 CA PHE B 38 8.782 -9.009 9.491 1.00 0.69 C ATOM 2219 C PHE B 38 9.802 -9.599 8.518 1.00 0.67 C ATOM 2220 O PHE B 38 9.553 -9.718 7.317 1.00 0.70 O ATOM 2221 CB PHE B 38 9.286 -7.717 10.145 1.00 0.76 C ATOM 2222 CG PHE B 38 9.127 -6.517 9.250 1.00 0.69 C ATOM 2223 CD1 PHE B 38 9.896 -6.403 8.079 1.00 1.78 C ATOM 2224 CD2 PHE B 38 8.085 -5.609 9.498 1.00 1.84 C ATOM 2225 CE1 PHE B 38 9.574 -5.426 7.126 1.00 1.83 C ATOM 2226 CE2 PHE B 38 7.829 -4.575 8.592 1.00 2.03 C ATOM 2227 CZ PHE B 38 8.509 -4.543 7.367 1.00 1.19 C ATOM 0 H PHE B 38 8.654 -9.605 11.477 1.00 0.78 H new ATOM 0 HA PHE B 38 7.886 -8.779 8.914 1.00 0.69 H new ATOM 0 HB2 PHE B 38 8.742 -7.548 11.074 1.00 0.76 H new ATOM 0 HB3 PHE B 38 10.337 -7.833 10.408 1.00 0.76 H new ATOM 0 HD1 PHE B 38 10.732 -7.066 7.914 1.00 1.78 H new ATOM 0 HD2 PHE B 38 7.482 -5.709 10.388 1.00 1.84 H new ATOM 0 HE1 PHE B 38 10.143 -5.353 6.211 1.00 1.83 H new ATOM 0 HE2 PHE B 38 7.111 -3.805 8.835 1.00 2.03 H new ATOM 0 HZ PHE B 38 8.213 -3.837 6.606 1.00 1.19 H new ATOM 2237 N LYS B 39 10.967 -9.979 9.053 1.00 0.69 N ATOM 2238 CA LYS B 39 12.068 -10.467 8.243 1.00 0.72 C ATOM 2239 C LYS B 39 11.641 -11.664 7.386 1.00 0.76 C ATOM 2240 O LYS B 39 12.118 -11.822 6.259 1.00 0.76 O ATOM 2241 CB LYS B 39 13.297 -10.769 9.113 1.00 0.78 C ATOM 2242 CG LYS B 39 14.452 -11.194 8.199 1.00 0.89 C ATOM 2243 CD LYS B 39 15.780 -11.375 8.938 1.00 1.19 C ATOM 2244 CE LYS B 39 16.895 -11.770 7.953 1.00 2.40 C ATOM 2245 NZ LYS B 39 16.594 -13.014 7.206 1.00 4.43 N ATOM 0 H LYS B 39 11.164 -9.954 10.053 1.00 0.69 H new ATOM 0 HA LYS B 39 12.359 -9.679 7.548 1.00 0.72 H new ATOM 0 HB2 LYS B 39 13.577 -9.888 9.691 1.00 0.78 H new ATOM 0 HB3 LYS B 39 13.069 -11.560 9.827 1.00 0.78 H new ATOM 0 HG2 LYS B 39 14.189 -12.130 7.706 1.00 0.89 H new ATOM 0 HG3 LYS B 39 14.580 -10.446 7.416 1.00 0.89 H new ATOM 0 HD2 LYS B 39 16.048 -10.450 9.448 1.00 1.19 H new ATOM 0 HD3 LYS B 39 15.675 -12.143 9.705 1.00 1.19 H new ATOM 0 HE2 LYS B 39 17.052 -10.956 7.245 1.00 2.40 H new ATOM 0 HE3 LYS B 39 17.828 -11.899 8.502 1.00 2.40 H new ATOM 0 HZ1 LYS B 39 17.474 -13.405 6.814 1.00 4.43 H new ATOM 0 HZ2 LYS B 39 16.162 -13.709 7.848 1.00 4.43 H new ATOM 0 HZ3 LYS B 39 15.934 -12.802 6.431 1.00 4.43 H new ATOM 2259 N GLU B 40 10.746 -12.496 7.914 1.00 0.81 N ATOM 2260 CA GLU B 40 10.272 -13.688 7.240 1.00 0.83 C ATOM 2261 C GLU B 40 9.730 -13.347 5.855 1.00 0.87 C ATOM 2262 O GLU B 40 9.952 -14.100 4.916 1.00 0.89 O ATOM 2263 CB GLU B 40 9.183 -14.384 8.063 1.00 0.96 C ATOM 2264 CG GLU B 40 9.499 -14.560 9.556 1.00 1.07 C ATOM 2265 CD GLU B 40 10.581 -15.581 9.869 1.00 1.88 C ATOM 2266 OE1 GLU B 40 11.690 -15.437 9.309 1.00 3.45 O ATOM 2267 OE2 GLU B 40 10.274 -16.460 10.704 1.00 2.37 O ATOM 0 H GLU B 40 10.328 -12.354 8.834 1.00 0.81 H new ATOM 0 HA GLU B 40 11.119 -14.366 7.132 1.00 0.83 H new ATOM 0 HB2 GLU B 40 8.259 -13.813 7.969 1.00 0.96 H new ATOM 0 HB3 GLU B 40 8.996 -15.367 7.630 1.00 0.96 H new ATOM 0 HG2 GLU B 40 9.802 -13.596 9.964 1.00 1.07 H new ATOM 0 HG3 GLU B 40 8.585 -14.852 10.073 1.00 1.07 H new ATOM 2274 N LEU B 41 9.041 -12.213 5.703 1.00 0.92 N ATOM 2275 CA LEU B 41 8.406 -11.871 4.439 1.00 0.98 C ATOM 2276 C LEU B 41 9.490 -11.611 3.398 1.00 0.92 C ATOM 2277 O LEU B 41 9.471 -12.163 2.293 1.00 0.97 O ATOM 2278 CB LEU B 41 7.478 -10.668 4.669 1.00 1.05 C ATOM 2279 CG LEU B 41 6.631 -10.267 3.447 1.00 1.13 C ATOM 2280 CD1 LEU B 41 5.386 -9.515 3.929 1.00 1.60 C ATOM 2281 CD2 LEU B 41 7.392 -9.347 2.481 1.00 2.29 C ATOM 0 H LEU B 41 8.912 -11.521 6.441 1.00 0.92 H new ATOM 0 HA LEU B 41 7.790 -12.686 4.058 1.00 0.98 H new ATOM 0 HB2 LEU B 41 6.809 -10.896 5.499 1.00 1.05 H new ATOM 0 HB3 LEU B 41 8.082 -9.813 4.972 1.00 1.05 H new ATOM 0 HG LEU B 41 6.373 -11.184 2.917 1.00 1.13 H new ATOM 0 HD11 LEU B 41 4.780 -9.227 3.070 1.00 1.60 H new ATOM 0 HD12 LEU B 41 4.802 -10.161 4.585 1.00 1.60 H new ATOM 0 HD13 LEU B 41 5.689 -8.622 4.475 1.00 1.60 H new ATOM 0 HD21 LEU B 41 6.750 -9.094 1.637 1.00 2.29 H new ATOM 0 HD22 LEU B 41 7.683 -8.435 3.001 1.00 2.29 H new ATOM 0 HD23 LEU B 41 8.284 -9.858 2.118 1.00 2.29 H new ATOM 2293 N VAL B 42 10.459 -10.777 3.780 1.00 0.83 N ATOM 2294 CA VAL B 42 11.498 -10.321 2.876 1.00 0.77 C ATOM 2295 C VAL B 42 12.445 -11.468 2.543 1.00 0.77 C ATOM 2296 O VAL B 42 12.933 -11.575 1.422 1.00 0.93 O ATOM 2297 CB VAL B 42 12.220 -9.075 3.415 1.00 0.69 C ATOM 2298 CG1 VAL B 42 11.314 -7.842 3.319 1.00 0.72 C ATOM 2299 CG2 VAL B 42 12.735 -9.204 4.844 1.00 0.64 C ATOM 0 H VAL B 42 10.539 -10.403 4.726 1.00 0.83 H new ATOM 0 HA VAL B 42 11.035 -10.004 1.942 1.00 0.77 H new ATOM 0 HB VAL B 42 13.098 -8.965 2.778 1.00 0.69 H new ATOM 0 HG11 VAL B 42 11.843 -6.971 3.705 1.00 0.72 H new ATOM 0 HG12 VAL B 42 11.043 -7.670 2.277 1.00 0.72 H new ATOM 0 HG13 VAL B 42 10.411 -8.008 3.906 1.00 0.72 H new ATOM 0 HG21 VAL B 42 13.229 -8.278 5.138 1.00 0.64 H new ATOM 0 HG22 VAL B 42 11.899 -9.398 5.516 1.00 0.64 H new ATOM 0 HG23 VAL B 42 13.446 -10.028 4.902 1.00 0.64 H new ATOM 2309 N THR B 43 12.678 -12.337 3.525 1.00 0.71 N ATOM 2310 CA THR B 43 13.497 -13.524 3.380 1.00 0.75 C ATOM 2311 C THR B 43 12.797 -14.558 2.487 1.00 0.85 C ATOM 2312 O THR B 43 13.409 -15.085 1.562 1.00 0.94 O ATOM 2313 CB THR B 43 13.787 -14.051 4.793 1.00 0.75 C ATOM 2314 OG1 THR B 43 14.449 -13.037 5.531 1.00 0.72 O ATOM 2315 CG2 THR B 43 14.659 -15.307 4.794 1.00 0.88 C ATOM 0 H THR B 43 12.291 -12.227 4.462 1.00 0.71 H new ATOM 0 HA THR B 43 14.441 -13.300 2.883 1.00 0.75 H new ATOM 0 HB THR B 43 12.831 -14.318 5.243 1.00 0.75 H new ATOM 0 HG1 THR B 43 13.802 -12.351 5.797 1.00 0.72 H new ATOM 0 HG21 THR B 43 14.829 -15.631 5.821 1.00 0.88 H new ATOM 0 HG22 THR B 43 14.155 -16.100 4.242 1.00 0.88 H new ATOM 0 HG23 THR B 43 15.616 -15.086 4.320 1.00 0.88 H new ATOM 2323 N GLN B 44 11.533 -14.877 2.782 1.00 0.90 N ATOM 2324 CA GLN B 44 10.819 -15.986 2.168 1.00 1.00 C ATOM 2325 C GLN B 44 10.388 -15.642 0.740 1.00 1.23 C ATOM 2326 O GLN B 44 10.770 -16.328 -0.204 1.00 1.36 O ATOM 2327 CB GLN B 44 9.604 -16.338 3.044 1.00 1.03 C ATOM 2328 CG GLN B 44 8.835 -17.565 2.537 1.00 1.16 C ATOM 2329 CD GLN B 44 7.485 -17.670 3.234 1.00 1.43 C ATOM 2330 OE1 GLN B 44 6.444 -17.498 2.609 1.00 2.44 O ATOM 2331 NE2 GLN B 44 7.485 -17.916 4.539 1.00 1.44 N ATOM 0 H GLN B 44 10.975 -14.362 3.463 1.00 0.90 H new ATOM 0 HA GLN B 44 11.480 -16.850 2.101 1.00 1.00 H new ATOM 0 HB2 GLN B 44 9.940 -16.523 4.064 1.00 1.03 H new ATOM 0 HB3 GLN B 44 8.929 -15.483 3.080 1.00 1.03 H new ATOM 0 HG2 GLN B 44 8.690 -17.492 1.459 1.00 1.16 H new ATOM 0 HG3 GLN B 44 9.417 -18.468 2.720 1.00 1.16 H new ATOM 0 HE21 GLN B 44 8.367 -18.055 5.032 1.00 1.44 H new ATOM 0 HE22 GLN B 44 6.603 -17.966 5.049 1.00 1.44 H new ATOM 2340 N GLN B 45 9.550 -14.613 0.585 1.00 1.36 N ATOM 2341 CA GLN B 45 8.994 -14.255 -0.716 1.00 1.72 C ATOM 2342 C GLN B 45 10.014 -13.441 -1.505 1.00 1.77 C ATOM 2343 O GLN B 45 10.251 -13.685 -2.684 1.00 2.25 O ATOM 2344 CB GLN B 45 7.711 -13.422 -0.527 1.00 1.93 C ATOM 2345 CG GLN B 45 6.454 -14.278 -0.289 1.00 2.10 C ATOM 2346 CD GLN B 45 5.588 -14.491 -1.541 1.00 3.13 C ATOM 2347 OE1 GLN B 45 5.390 -13.565 -2.327 1.00 4.39 O ATOM 2348 NE2 GLN B 45 5.027 -15.690 -1.697 1.00 3.47 N ATOM 0 H GLN B 45 9.243 -14.013 1.350 1.00 1.36 H new ATOM 0 HA GLN B 45 8.755 -15.167 -1.263 1.00 1.72 H new ATOM 0 HB2 GLN B 45 7.847 -12.747 0.318 1.00 1.93 H new ATOM 0 HB3 GLN B 45 7.557 -12.801 -1.410 1.00 1.93 H new ATOM 0 HG2 GLN B 45 6.759 -15.251 0.098 1.00 2.10 H new ATOM 0 HG3 GLN B 45 5.847 -13.804 0.482 1.00 2.10 H new ATOM 0 HE21 GLN B 45 5.216 -16.433 -1.024 1.00 3.47 H new ATOM 0 HE22 GLN B 45 4.409 -15.865 -2.490 1.00 3.47 H new ATOM 2357 N LEU B 46 10.488 -12.376 -0.864 1.00 1.36 N ATOM 2358 CA LEU B 46 10.826 -11.131 -1.534 1.00 1.27 C ATOM 2359 C LEU B 46 12.198 -10.913 -2.202 1.00 2.00 C ATOM 2360 O LEU B 46 12.321 -9.873 -2.846 1.00 2.49 O ATOM 2361 CB LEU B 46 10.454 -9.959 -0.624 1.00 0.86 C ATOM 2362 CG LEU B 46 9.713 -8.862 -1.397 1.00 1.20 C ATOM 2363 CD1 LEU B 46 8.215 -9.169 -1.483 1.00 1.75 C ATOM 2364 CD2 LEU B 46 9.968 -7.521 -0.711 1.00 1.93 C ATOM 0 H LEU B 46 10.648 -12.356 0.143 1.00 1.36 H new ATOM 0 HA LEU B 46 10.223 -11.205 -2.439 1.00 1.27 H new ATOM 0 HB2 LEU B 46 9.828 -10.316 0.194 1.00 0.86 H new ATOM 0 HB3 LEU B 46 11.357 -9.544 -0.176 1.00 0.86 H new ATOM 0 HG LEU B 46 10.087 -8.818 -2.420 1.00 1.20 H new ATOM 0 HD11 LEU B 46 7.712 -8.376 -2.036 1.00 1.75 H new ATOM 0 HD12 LEU B 46 8.067 -10.119 -1.996 1.00 1.75 H new ATOM 0 HD13 LEU B 46 7.798 -9.231 -0.478 1.00 1.75 H new ATOM 0 HD21 LEU B 46 9.446 -6.731 -1.251 1.00 1.93 H new ATOM 0 HD22 LEU B 46 9.602 -7.562 0.315 1.00 1.93 H new ATOM 0 HD23 LEU B 46 11.038 -7.312 -0.707 1.00 1.93 H new ATOM 2376 N PRO B 47 13.276 -11.686 -1.957 1.00 2.41 N ATOM 2377 CA PRO B 47 14.643 -11.168 -2.025 1.00 2.61 C ATOM 2378 C PRO B 47 14.986 -10.369 -3.289 1.00 2.20 C ATOM 2379 O PRO B 47 15.599 -9.307 -3.184 1.00 2.57 O ATOM 2380 CB PRO B 47 15.584 -12.355 -1.790 1.00 3.19 C ATOM 2381 CG PRO B 47 14.695 -13.585 -1.966 1.00 3.17 C ATOM 2382 CD PRO B 47 13.304 -13.088 -1.575 1.00 3.07 C ATOM 0 HA PRO B 47 14.763 -10.412 -1.249 1.00 2.61 H new ATOM 0 HB2 PRO B 47 16.409 -12.355 -2.503 1.00 3.19 H new ATOM 0 HB3 PRO B 47 16.024 -12.322 -0.793 1.00 3.19 H new ATOM 0 HG2 PRO B 47 14.715 -13.950 -2.993 1.00 3.17 H new ATOM 0 HG3 PRO B 47 15.020 -14.408 -1.329 1.00 3.17 H new ATOM 0 HD2 PRO B 47 12.526 -13.652 -2.090 1.00 3.07 H new ATOM 0 HD3 PRO B 47 13.130 -13.208 -0.506 1.00 3.07 H new ATOM 2390 N HIS B 48 14.576 -10.829 -4.477 1.00 1.76 N ATOM 2391 CA HIS B 48 14.737 -10.062 -5.712 1.00 1.48 C ATOM 2392 C HIS B 48 13.706 -8.920 -5.781 1.00 1.16 C ATOM 2393 O HIS B 48 12.911 -8.837 -6.713 1.00 2.38 O ATOM 2394 CB HIS B 48 14.672 -11.008 -6.922 1.00 1.39 C ATOM 2395 CG HIS B 48 15.003 -10.337 -8.235 1.00 1.47 C ATOM 2396 ND1 HIS B 48 14.139 -9.570 -8.984 1.00 2.47 N ATOM 2397 CD2 HIS B 48 16.226 -10.301 -8.851 1.00 1.94 C ATOM 2398 CE1 HIS B 48 14.832 -9.080 -10.025 1.00 2.62 C ATOM 2399 NE2 HIS B 48 16.110 -9.496 -9.988 1.00 2.02 N ATOM 0 H HIS B 48 14.127 -11.736 -4.606 1.00 1.76 H new ATOM 0 HA HIS B 48 15.718 -9.587 -5.727 1.00 1.48 H new ATOM 0 HB2 HIS B 48 15.363 -11.836 -6.763 1.00 1.39 H new ATOM 0 HB3 HIS B 48 13.671 -11.436 -6.985 1.00 1.39 H new ATOM 0 HD1 HIS B 48 13.153 -9.404 -8.785 1.00 2.47 H new ATOM 0 HD2 HIS B 48 17.121 -10.805 -8.517 1.00 1.94 H new ATOM 0 HE1 HIS B 48 14.418 -8.438 -10.789 1.00 2.62 H new ATOM 2407 N LEU B 49 13.737 -8.017 -4.801 1.00 1.62 N ATOM 2408 CA LEU B 49 12.917 -6.824 -4.738 1.00 1.36 C ATOM 2409 C LEU B 49 13.545 -5.896 -3.691 1.00 1.35 C ATOM 2410 O LEU B 49 14.475 -5.154 -4.011 1.00 1.67 O ATOM 2411 CB LEU B 49 11.440 -7.203 -4.488 1.00 1.10 C ATOM 2412 CG LEU B 49 10.446 -6.189 -5.061 1.00 0.77 C ATOM 2413 CD1 LEU B 49 10.520 -6.182 -6.590 1.00 0.97 C ATOM 2414 CD2 LEU B 49 9.014 -6.592 -4.700 1.00 0.81 C ATOM 0 H LEU B 49 14.362 -8.108 -4.000 1.00 1.62 H new ATOM 0 HA LEU B 49 12.894 -6.278 -5.681 1.00 1.36 H new ATOM 0 HB2 LEU B 49 11.244 -8.181 -4.928 1.00 1.10 H new ATOM 0 HB3 LEU B 49 11.274 -7.297 -3.415 1.00 1.10 H new ATOM 0 HG LEU B 49 10.698 -5.212 -4.649 1.00 0.77 H new ATOM 0 HD11 LEU B 49 9.809 -5.457 -6.985 1.00 0.97 H new ATOM 0 HD12 LEU B 49 11.528 -5.910 -6.904 1.00 0.97 H new ATOM 0 HD13 LEU B 49 10.277 -7.174 -6.971 1.00 0.97 H new ATOM 0 HD21 LEU B 49 8.316 -5.864 -5.113 1.00 0.81 H new ATOM 0 HD22 LEU B 49 8.798 -7.577 -5.114 1.00 0.81 H new ATOM 0 HD23 LEU B 49 8.907 -6.623 -3.616 1.00 0.81 H new ATOM 2426 N LEU B 50 13.133 -5.975 -2.420 1.00 1.19 N ATOM 2427 CA LEU B 50 13.824 -5.259 -1.359 1.00 1.36 C ATOM 2428 C LEU B 50 15.082 -6.024 -0.979 1.00 1.50 C ATOM 2429 O LEU B 50 15.100 -6.802 -0.028 1.00 2.08 O ATOM 2430 CB LEU B 50 12.935 -4.999 -0.138 1.00 1.40 C ATOM 2431 CG LEU B 50 11.857 -3.943 -0.417 1.00 1.07 C ATOM 2432 CD1 LEU B 50 10.874 -3.936 0.756 1.00 1.45 C ATOM 2433 CD2 LEU B 50 12.451 -2.533 -0.537 1.00 1.24 C ATOM 0 H LEU B 50 12.331 -6.524 -2.110 1.00 1.19 H new ATOM 0 HA LEU B 50 14.096 -4.274 -1.738 1.00 1.36 H new ATOM 0 HB2 LEU B 50 12.458 -5.931 0.166 1.00 1.40 H new ATOM 0 HB3 LEU B 50 13.555 -4.671 0.697 1.00 1.40 H new ATOM 0 HG LEU B 50 11.373 -4.198 -1.360 1.00 1.07 H new ATOM 0 HD11 LEU B 50 10.099 -3.191 0.577 1.00 1.45 H new ATOM 0 HD12 LEU B 50 10.416 -4.920 0.853 1.00 1.45 H new ATOM 0 HD13 LEU B 50 11.406 -3.692 1.675 1.00 1.45 H new ATOM 0 HD21 LEU B 50 11.653 -1.818 -0.734 1.00 1.24 H new ATOM 0 HD22 LEU B 50 12.953 -2.269 0.394 1.00 1.24 H new ATOM 0 HD23 LEU B 50 13.170 -2.510 -1.356 1.00 1.24 H new ATOM 2445 N LYS B 51 16.150 -5.724 -1.713 1.00 1.47 N ATOM 2446 CA LYS B 51 17.515 -5.853 -1.235 1.00 2.01 C ATOM 2447 C LYS B 51 17.686 -5.232 0.168 1.00 2.16 C ATOM 2448 O LYS B 51 16.796 -4.538 0.661 1.00 2.66 O ATOM 2449 CB LYS B 51 18.460 -5.230 -2.280 1.00 2.58 C ATOM 2450 CG LYS B 51 18.529 -3.691 -2.295 1.00 3.04 C ATOM 2451 CD LYS B 51 17.177 -2.963 -2.385 1.00 3.83 C ATOM 2452 CE LYS B 51 17.387 -1.444 -2.365 1.00 5.04 C ATOM 2453 NZ LYS B 51 16.100 -0.718 -2.389 1.00 6.42 N ATOM 0 H LYS B 51 16.086 -5.379 -2.671 1.00 1.47 H new ATOM 0 HA LYS B 51 17.769 -6.907 -1.119 1.00 2.01 H new ATOM 0 HB2 LYS B 51 19.464 -5.617 -2.109 1.00 2.58 H new ATOM 0 HB3 LYS B 51 18.151 -5.570 -3.269 1.00 2.58 H new ATOM 0 HG2 LYS B 51 19.039 -3.360 -1.391 1.00 3.04 H new ATOM 0 HG3 LYS B 51 19.144 -3.382 -3.140 1.00 3.04 H new ATOM 0 HD2 LYS B 51 16.660 -3.253 -3.300 1.00 3.83 H new ATOM 0 HD3 LYS B 51 16.540 -3.260 -1.551 1.00 3.83 H new ATOM 0 HE2 LYS B 51 17.947 -1.165 -1.472 1.00 5.04 H new ATOM 0 HE3 LYS B 51 17.989 -1.148 -3.224 1.00 5.04 H new ATOM 0 HZ1 LYS B 51 16.272 0.287 -2.596 1.00 6.42 H new ATOM 0 HZ2 LYS B 51 15.487 -1.123 -3.125 1.00 6.42 H new ATOM 0 HZ3 LYS B 51 15.634 -0.806 -1.463 1.00 6.42 H new ATOM 2467 N ASP B 52 18.841 -5.485 0.792 1.00 2.29 N ATOM 2468 CA ASP B 52 19.268 -5.001 2.112 1.00 2.47 C ATOM 2469 C ASP B 52 18.830 -5.942 3.238 1.00 1.99 C ATOM 2470 O ASP B 52 19.045 -5.633 4.409 1.00 2.35 O ATOM 2471 CB ASP B 52 18.831 -3.562 2.453 1.00 2.99 C ATOM 2472 CG ASP B 52 19.097 -2.518 1.379 1.00 3.59 C ATOM 2473 OD1 ASP B 52 20.084 -2.676 0.633 1.00 3.50 O ATOM 2474 OD2 ASP B 52 18.311 -1.542 1.369 1.00 5.32 O ATOM 0 H ASP B 52 19.553 -6.074 0.359 1.00 2.29 H new ATOM 0 HA ASP B 52 20.355 -4.987 2.039 1.00 2.47 H new ATOM 0 HB2 ASP B 52 17.763 -3.569 2.670 1.00 2.99 H new ATOM 0 HB3 ASP B 52 19.340 -3.254 3.366 1.00 2.99 H new ATOM 2479 N VAL B 53 18.235 -7.094 2.906 1.00 1.66 N ATOM 2480 CA VAL B 53 17.692 -8.042 3.877 1.00 1.44 C ATOM 2481 C VAL B 53 18.699 -8.395 4.982 1.00 1.68 C ATOM 2482 O VAL B 53 18.314 -8.600 6.133 1.00 1.93 O ATOM 2483 CB VAL B 53 17.158 -9.300 3.167 1.00 1.36 C ATOM 2484 CG1 VAL B 53 16.081 -8.941 2.137 1.00 1.66 C ATOM 2485 CG2 VAL B 53 18.253 -10.123 2.473 1.00 1.90 C ATOM 0 H VAL B 53 18.117 -7.395 1.939 1.00 1.66 H new ATOM 0 HA VAL B 53 16.856 -7.553 4.376 1.00 1.44 H new ATOM 0 HB VAL B 53 16.731 -9.915 3.959 1.00 1.36 H new ATOM 0 HG11 VAL B 53 15.724 -9.850 1.653 1.00 1.66 H new ATOM 0 HG12 VAL B 53 15.249 -8.446 2.638 1.00 1.66 H new ATOM 0 HG13 VAL B 53 16.503 -8.272 1.387 1.00 1.66 H new ATOM 0 HG21 VAL B 53 17.805 -10.994 1.994 1.00 1.90 H new ATOM 0 HG22 VAL B 53 18.748 -9.509 1.720 1.00 1.90 H new ATOM 0 HG23 VAL B 53 18.985 -10.451 3.211 1.00 1.90 H new ATOM 2495 N GLY B 54 19.989 -8.442 4.627 1.00 1.95 N ATOM 2496 CA GLY B 54 21.092 -8.669 5.548 1.00 2.56 C ATOM 2497 C GLY B 54 21.040 -7.760 6.779 1.00 2.49 C ATOM 2498 O GLY B 54 21.438 -8.184 7.859 1.00 3.25 O ATOM 0 H GLY B 54 20.295 -8.319 3.662 1.00 1.95 H new ATOM 0 HA2 GLY B 54 21.080 -9.710 5.871 1.00 2.56 H new ATOM 0 HA3 GLY B 54 22.034 -8.509 5.024 1.00 2.56 H new ATOM 2502 N SER B 55 20.549 -6.525 6.619 1.00 1.89 N ATOM 2503 CA SER B 55 20.246 -5.629 7.724 1.00 2.00 C ATOM 2504 C SER B 55 18.836 -5.071 7.522 1.00 1.48 C ATOM 2505 O SER B 55 18.617 -3.859 7.485 1.00 1.64 O ATOM 2506 CB SER B 55 21.324 -4.543 7.843 1.00 2.72 C ATOM 2507 OG SER B 55 21.230 -3.879 9.089 1.00 3.94 O ATOM 0 H SER B 55 20.351 -6.122 5.703 1.00 1.89 H new ATOM 0 HA SER B 55 20.259 -6.162 8.675 1.00 2.00 H new ATOM 0 HB2 SER B 55 22.312 -4.991 7.738 1.00 2.72 H new ATOM 0 HB3 SER B 55 21.213 -3.823 7.032 1.00 2.72 H new ATOM 0 HG SER B 55 21.926 -3.192 9.147 1.00 3.94 H new ATOM 2513 N LEU B 56 17.862 -5.982 7.418 1.00 1.06 N ATOM 2514 CA LEU B 56 16.443 -5.684 7.484 1.00 0.82 C ATOM 2515 C LEU B 56 16.168 -4.708 8.635 1.00 0.82 C ATOM 2516 O LEU B 56 15.390 -3.771 8.479 1.00 0.76 O ATOM 2517 CB LEU B 56 15.729 -7.038 7.621 1.00 0.81 C ATOM 2518 CG LEU B 56 14.203 -7.017 7.748 1.00 0.77 C ATOM 2519 CD1 LEU B 56 13.764 -6.765 9.191 1.00 0.94 C ATOM 2520 CD2 LEU B 56 13.558 -6.043 6.761 1.00 0.68 C ATOM 0 H LEU B 56 18.054 -6.974 7.282 1.00 1.06 H new ATOM 0 HA LEU B 56 16.069 -5.179 6.593 1.00 0.82 H new ATOM 0 HB2 LEU B 56 15.987 -7.645 6.753 1.00 0.81 H new ATOM 0 HB3 LEU B 56 16.134 -7.546 8.497 1.00 0.81 H new ATOM 0 HG LEU B 56 13.841 -8.009 7.477 1.00 0.77 H new ATOM 0 HD11 LEU B 56 12.675 -6.757 9.244 1.00 0.94 H new ATOM 0 HD12 LEU B 56 14.152 -7.556 9.833 1.00 0.94 H new ATOM 0 HD13 LEU B 56 14.151 -5.803 9.526 1.00 0.94 H new ATOM 0 HD21 LEU B 56 12.475 -6.061 6.887 1.00 0.68 H new ATOM 0 HD22 LEU B 56 13.928 -5.035 6.950 1.00 0.68 H new ATOM 0 HD23 LEU B 56 13.810 -6.337 5.742 1.00 0.68 H new ATOM 2532 N ASP B 57 16.862 -4.898 9.759 1.00 1.07 N ATOM 2533 CA ASP B 57 16.975 -4.013 10.913 1.00 1.17 C ATOM 2534 C ASP B 57 16.867 -2.527 10.546 1.00 1.13 C ATOM 2535 O ASP B 57 16.139 -1.771 11.190 1.00 1.13 O ATOM 2536 CB ASP B 57 18.327 -4.275 11.599 1.00 1.40 C ATOM 2537 CG ASP B 57 18.587 -5.754 11.860 1.00 2.77 C ATOM 2538 OD1 ASP B 57 18.675 -6.483 10.843 1.00 3.39 O ATOM 2539 OD2 ASP B 57 18.676 -6.121 13.048 1.00 4.06 O ATOM 0 H ASP B 57 17.406 -5.751 9.893 1.00 1.07 H new ATOM 0 HA ASP B 57 16.141 -4.231 11.580 1.00 1.17 H new ATOM 0 HB2 ASP B 57 19.127 -3.876 10.976 1.00 1.40 H new ATOM 0 HB3 ASP B 57 18.359 -3.734 12.545 1.00 1.40 H new ATOM 2544 N GLU B 58 17.604 -2.098 9.517 1.00 1.14 N ATOM 2545 CA GLU B 58 17.588 -0.716 9.063 1.00 1.19 C ATOM 2546 C GLU B 58 16.185 -0.323 8.589 1.00 1.00 C ATOM 2547 O GLU B 58 15.625 0.689 9.024 1.00 1.05 O ATOM 2548 CB GLU B 58 18.628 -0.542 7.950 1.00 1.33 C ATOM 2549 CG GLU B 58 18.656 0.905 7.449 1.00 1.88 C ATOM 2550 CD GLU B 58 19.688 1.083 6.347 1.00 2.14 C ATOM 2551 OE1 GLU B 58 19.333 0.738 5.199 1.00 2.03 O ATOM 2552 OE2 GLU B 58 20.806 1.529 6.671 1.00 3.17 O ATOM 0 H GLU B 58 18.226 -2.703 8.980 1.00 1.14 H new ATOM 0 HA GLU B 58 17.847 -0.054 9.889 1.00 1.19 H new ATOM 0 HB2 GLU B 58 19.614 -0.822 8.321 1.00 1.33 H new ATOM 0 HB3 GLU B 58 18.397 -1.213 7.123 1.00 1.33 H new ATOM 0 HG2 GLU B 58 17.670 1.183 7.077 1.00 1.88 H new ATOM 0 HG3 GLU B 58 18.885 1.576 8.277 1.00 1.88 H new ATOM 2559 N LYS B 59 15.613 -1.125 7.684 1.00 0.81 N ATOM 2560 CA LYS B 59 14.265 -0.891 7.192 1.00 0.72 C ATOM 2561 C LYS B 59 13.318 -0.894 8.392 1.00 0.68 C ATOM 2562 O LYS B 59 12.517 0.023 8.537 1.00 0.73 O ATOM 2563 CB LYS B 59 13.841 -1.942 6.149 1.00 0.70 C ATOM 2564 CG LYS B 59 14.102 -1.579 4.676 1.00 1.08 C ATOM 2565 CD LYS B 59 15.533 -1.828 4.174 1.00 1.69 C ATOM 2566 CE LYS B 59 16.453 -0.614 4.374 1.00 2.33 C ATOM 2567 NZ LYS B 59 17.814 -0.849 3.854 1.00 3.60 N ATOM 0 H LYS B 59 16.070 -1.943 7.281 1.00 0.81 H new ATOM 0 HA LYS B 59 14.228 0.072 6.683 1.00 0.72 H new ATOM 0 HB2 LYS B 59 14.362 -2.874 6.370 1.00 0.70 H new ATOM 0 HB3 LYS B 59 12.775 -2.136 6.271 1.00 0.70 H new ATOM 0 HG2 LYS B 59 13.413 -2.149 4.053 1.00 1.08 H new ATOM 0 HG3 LYS B 59 13.864 -0.525 4.533 1.00 1.08 H new ATOM 0 HD2 LYS B 59 15.953 -2.687 4.698 1.00 1.69 H new ATOM 0 HD3 LYS B 59 15.502 -2.085 3.115 1.00 1.69 H new ATOM 0 HE2 LYS B 59 16.020 0.253 3.874 1.00 2.33 H new ATOM 0 HE3 LYS B 59 16.509 -0.375 5.436 1.00 2.33 H new ATOM 0 HZ1 LYS B 59 18.420 -0.036 4.087 1.00 3.60 H new ATOM 0 HZ2 LYS B 59 18.207 -1.709 4.287 1.00 3.60 H new ATOM 0 HZ3 LYS B 59 17.776 -0.967 2.821 1.00 3.60 H new ATOM 2581 N MET B 60 13.435 -1.898 9.265 1.00 0.69 N ATOM 2582 CA MET B 60 12.615 -2.020 10.465 1.00 0.77 C ATOM 2583 C MET B 60 12.623 -0.708 11.248 1.00 0.87 C ATOM 2584 O MET B 60 11.563 -0.158 11.536 1.00 0.89 O ATOM 2585 CB MET B 60 13.051 -3.237 11.294 1.00 0.96 C ATOM 2586 CG MET B 60 12.315 -3.334 12.636 1.00 1.01 C ATOM 2587 SD MET B 60 13.051 -2.395 14.004 1.00 1.52 S ATOM 2588 CE MET B 60 11.816 -2.667 15.294 1.00 1.72 C ATOM 0 H MET B 60 14.110 -2.655 9.154 1.00 0.69 H new ATOM 0 HA MET B 60 11.577 -2.203 10.185 1.00 0.77 H new ATOM 0 HB2 MET B 60 12.872 -4.146 10.720 1.00 0.96 H new ATOM 0 HB3 MET B 60 14.124 -3.182 11.476 1.00 0.96 H new ATOM 0 HG2 MET B 60 11.290 -2.991 12.494 1.00 1.01 H new ATOM 0 HG3 MET B 60 12.262 -4.383 12.926 1.00 1.01 H new ATOM 0 HE1 MET B 60 12.172 -2.243 16.233 1.00 1.72 H new ATOM 0 HE2 MET B 60 10.881 -2.185 15.010 1.00 1.72 H new ATOM 0 HE3 MET B 60 11.650 -3.737 15.419 1.00 1.72 H new ATOM 2598 N LYS B 61 13.806 -0.177 11.552 1.00 0.97 N ATOM 2599 CA LYS B 61 13.917 1.082 12.270 1.00 1.12 C ATOM 2600 C LYS B 61 13.248 2.220 11.487 1.00 1.10 C ATOM 2601 O LYS B 61 12.521 3.029 12.059 1.00 1.18 O ATOM 2602 CB LYS B 61 15.395 1.360 12.570 1.00 1.29 C ATOM 2603 CG LYS B 61 15.543 2.441 13.650 1.00 1.74 C ATOM 2604 CD LYS B 61 17.012 2.720 14.006 1.00 1.90 C ATOM 2605 CE LYS B 61 17.816 1.473 14.405 1.00 1.97 C ATOM 2606 NZ LYS B 61 17.126 0.662 15.430 1.00 2.94 N ATOM 0 H LYS B 61 14.700 -0.604 11.310 1.00 0.97 H new ATOM 0 HA LYS B 61 13.386 1.016 13.220 1.00 1.12 H new ATOM 0 HB2 LYS B 61 15.882 0.442 12.900 1.00 1.29 H new ATOM 0 HB3 LYS B 61 15.901 1.679 11.659 1.00 1.29 H new ATOM 0 HG2 LYS B 61 15.075 3.363 13.304 1.00 1.74 H new ATOM 0 HG3 LYS B 61 15.008 2.129 14.547 1.00 1.74 H new ATOM 0 HD2 LYS B 61 17.497 3.192 13.152 1.00 1.90 H new ATOM 0 HD3 LYS B 61 17.045 3.436 14.827 1.00 1.90 H new ATOM 0 HE2 LYS B 61 17.995 0.861 13.521 1.00 1.97 H new ATOM 0 HE3 LYS B 61 18.791 1.779 14.783 1.00 1.97 H new ATOM 0 HZ1 LYS B 61 17.750 -0.110 15.740 1.00 2.94 H new ATOM 0 HZ2 LYS B 61 16.887 1.262 16.245 1.00 2.94 H new ATOM 0 HZ3 LYS B 61 16.254 0.262 15.028 1.00 2.94 H new ATOM 2620 N SER B 62 13.487 2.278 10.174 1.00 1.04 N ATOM 2621 CA SER B 62 12.903 3.287 9.295 1.00 1.08 C ATOM 2622 C SER B 62 11.370 3.189 9.228 1.00 0.97 C ATOM 2623 O SER B 62 10.683 4.177 8.968 1.00 1.05 O ATOM 2624 CB SER B 62 13.511 3.160 7.896 1.00 1.13 C ATOM 2625 OG SER B 62 14.925 3.169 7.961 1.00 2.29 O ATOM 0 H SER B 62 14.097 1.619 9.690 1.00 1.04 H new ATOM 0 HA SER B 62 13.137 4.267 9.711 1.00 1.08 H new ATOM 0 HB2 SER B 62 13.170 2.236 7.428 1.00 1.13 H new ATOM 0 HB3 SER B 62 13.166 3.982 7.268 1.00 1.13 H new ATOM 0 HG SER B 62 15.245 2.291 8.256 1.00 2.29 H new ATOM 2631 N LEU B 63 10.826 1.987 9.418 1.00 0.88 N ATOM 2632 CA LEU B 63 9.397 1.724 9.415 1.00 0.84 C ATOM 2633 C LEU B 63 8.787 2.109 10.759 1.00 0.86 C ATOM 2634 O LEU B 63 7.870 2.923 10.818 1.00 0.90 O ATOM 2635 CB LEU B 63 9.164 0.235 9.139 1.00 0.79 C ATOM 2636 CG LEU B 63 9.519 -0.151 7.699 1.00 0.92 C ATOM 2637 CD1 LEU B 63 9.791 -1.647 7.640 1.00 1.13 C ATOM 2638 CD2 LEU B 63 8.342 0.164 6.786 1.00 1.16 C ATOM 0 H LEU B 63 11.387 1.151 9.582 1.00 0.88 H new ATOM 0 HA LEU B 63 8.920 2.320 8.637 1.00 0.84 H new ATOM 0 HB2 LEU B 63 9.762 -0.359 9.830 1.00 0.79 H new ATOM 0 HB3 LEU B 63 8.119 -0.009 9.331 1.00 0.79 H new ATOM 0 HG LEU B 63 10.398 0.407 7.378 1.00 0.92 H new ATOM 0 HD11 LEU B 63 10.045 -1.931 6.619 1.00 1.13 H new ATOM 0 HD12 LEU B 63 10.622 -1.892 8.302 1.00 1.13 H new ATOM 0 HD13 LEU B 63 8.902 -2.191 7.958 1.00 1.13 H new ATOM 0 HD21 LEU B 63 8.593 -0.110 5.761 1.00 1.16 H new ATOM 0 HD22 LEU B 63 7.469 -0.402 7.110 1.00 1.16 H new ATOM 0 HD23 LEU B 63 8.121 1.230 6.833 1.00 1.16 H new ATOM 2650 N ASP B 64 9.309 1.512 11.832 1.00 0.88 N ATOM 2651 CA ASP B 64 8.749 1.481 13.176 1.00 0.95 C ATOM 2652 C ASP B 64 8.504 2.836 13.845 1.00 1.06 C ATOM 2653 O ASP B 64 8.000 2.843 14.958 1.00 1.15 O ATOM 2654 CB ASP B 64 9.498 0.501 14.096 1.00 1.05 C ATOM 2655 CG ASP B 64 8.647 0.131 15.307 1.00 1.17 C ATOM 2656 OD1 ASP B 64 7.421 -0.033 15.109 1.00 1.25 O ATOM 2657 OD2 ASP B 64 9.187 0.047 16.431 1.00 1.63 O ATOM 0 H ASP B 64 10.192 1.005 11.777 1.00 0.88 H new ATOM 0 HA ASP B 64 7.741 1.099 13.017 1.00 0.95 H new ATOM 0 HB2 ASP B 64 9.757 -0.400 13.540 1.00 1.05 H new ATOM 0 HB3 ASP B 64 10.434 0.951 14.428 1.00 1.05 H new ATOM 2662 N VAL B 65 8.984 3.945 13.272 1.00 1.12 N ATOM 2663 CA VAL B 65 9.594 5.142 13.860 1.00 1.27 C ATOM 2664 C VAL B 65 9.108 5.652 15.231 1.00 1.37 C ATOM 2665 O VAL B 65 9.856 6.384 15.873 1.00 1.50 O ATOM 2666 CB VAL B 65 9.485 6.298 12.844 1.00 1.31 C ATOM 2667 CG1 VAL B 65 10.171 5.961 11.516 1.00 1.50 C ATOM 2668 CG2 VAL B 65 8.026 6.689 12.561 1.00 1.59 C ATOM 0 H VAL B 65 8.949 4.035 12.257 1.00 1.12 H new ATOM 0 HA VAL B 65 10.609 4.808 14.075 1.00 1.27 H new ATOM 0 HB VAL B 65 9.994 7.143 13.308 1.00 1.31 H new ATOM 0 HG11 VAL B 65 10.070 6.802 10.830 1.00 1.50 H new ATOM 0 HG12 VAL B 65 11.228 5.762 11.693 1.00 1.50 H new ATOM 0 HG13 VAL B 65 9.704 5.079 11.079 1.00 1.50 H new ATOM 0 HG21 VAL B 65 8.002 7.506 11.840 1.00 1.59 H new ATOM 0 HG22 VAL B 65 7.492 5.831 12.154 1.00 1.59 H new ATOM 0 HG23 VAL B 65 7.548 7.008 13.488 1.00 1.59 H new ATOM 2678 N ASN B 66 7.920 5.291 15.725 1.00 1.36 N ATOM 2679 CA ASN B 66 7.636 5.448 17.151 1.00 1.49 C ATOM 2680 C ASN B 66 8.594 4.603 18.011 1.00 1.61 C ATOM 2681 O ASN B 66 8.810 4.929 19.174 1.00 1.90 O ATOM 2682 CB ASN B 66 6.156 5.192 17.477 1.00 1.51 C ATOM 2683 CG ASN B 66 5.771 3.724 17.669 1.00 1.99 C ATOM 2684 OD1 ASN B 66 6.337 2.809 17.073 1.00 1.83 O ATOM 2685 ND2 ASN B 66 4.768 3.463 18.495 1.00 3.12 N ATOM 0 H ASN B 66 7.158 4.898 15.173 1.00 1.36 H new ATOM 0 HA ASN B 66 7.822 6.490 17.410 1.00 1.49 H new ATOM 0 HB2 ASN B 66 5.902 5.738 18.385 1.00 1.51 H new ATOM 0 HB3 ASN B 66 5.547 5.608 16.674 1.00 1.51 H new ATOM 0 HD21 ASN B 66 4.463 2.500 18.638 1.00 3.12 H new ATOM 0 HD22 ASN B 66 4.301 4.225 18.987 1.00 3.12 H new ATOM 2692 N GLN B 67 9.184 3.548 17.433 1.00 1.46 N ATOM 2693 CA GLN B 67 10.182 2.680 18.049 1.00 1.62 C ATOM 2694 C GLN B 67 9.615 1.980 19.286 1.00 1.61 C ATOM 2695 O GLN B 67 10.118 2.144 20.396 1.00 1.77 O ATOM 2696 CB GLN B 67 11.509 3.411 18.309 1.00 2.01 C ATOM 2697 CG GLN B 67 12.171 3.841 16.992 1.00 2.01 C ATOM 2698 CD GLN B 67 13.630 4.233 17.199 1.00 2.00 C ATOM 2699 OE1 GLN B 67 14.538 3.597 16.669 1.00 2.12 O ATOM 2700 NE2 GLN B 67 13.871 5.282 17.980 1.00 2.96 N ATOM 0 H GLN B 67 8.964 3.268 16.477 1.00 1.46 H new ATOM 0 HA GLN B 67 10.428 1.893 17.336 1.00 1.62 H new ATOM 0 HB2 GLN B 67 11.329 4.287 18.932 1.00 2.01 H new ATOM 0 HB3 GLN B 67 12.184 2.759 18.863 1.00 2.01 H new ATOM 0 HG2 GLN B 67 12.111 3.026 16.271 1.00 2.01 H new ATOM 0 HG3 GLN B 67 11.624 4.683 16.567 1.00 2.01 H new ATOM 0 HE21 GLN B 67 13.096 5.790 18.406 1.00 2.96 H new ATOM 0 HE22 GLN B 67 14.831 5.579 18.153 1.00 2.96 H new ATOM 2709 N ASP B 68 8.582 1.168 19.058 1.00 1.58 N ATOM 2710 CA ASP B 68 7.944 0.304 20.047 1.00 1.59 C ATOM 2711 C ASP B 68 8.327 -1.171 19.819 1.00 1.60 C ATOM 2712 O ASP B 68 8.127 -1.991 20.711 1.00 2.25 O ATOM 2713 CB ASP B 68 6.414 0.516 20.028 1.00 1.58 C ATOM 2714 CG ASP B 68 5.825 0.284 18.654 1.00 1.43 C ATOM 2715 OD1 ASP B 68 6.522 -0.285 17.799 1.00 1.45 O ATOM 2716 OD2 ASP B 68 4.772 0.832 18.265 1.00 1.66 O ATOM 0 H ASP B 68 8.149 1.093 18.137 1.00 1.58 H new ATOM 0 HA ASP B 68 8.305 0.574 21.039 1.00 1.59 H new ATOM 0 HB2 ASP B 68 5.946 -0.161 20.742 1.00 1.58 H new ATOM 0 HB3 ASP B 68 6.185 1.531 20.354 1.00 1.58 H new ATOM 2721 N SER B 69 8.870 -1.525 18.644 1.00 1.30 N ATOM 2722 CA SER B 69 9.157 -2.893 18.224 1.00 1.26 C ATOM 2723 C SER B 69 7.880 -3.657 17.843 1.00 1.18 C ATOM 2724 O SER B 69 7.929 -4.861 17.590 1.00 1.29 O ATOM 2725 CB SER B 69 10.011 -3.633 19.267 1.00 1.38 C ATOM 2726 OG SER B 69 10.850 -4.592 18.649 1.00 2.60 O ATOM 0 H SER B 69 9.129 -0.835 17.938 1.00 1.30 H new ATOM 0 HA SER B 69 9.756 -2.841 17.315 1.00 1.26 H new ATOM 0 HB2 SER B 69 10.618 -2.916 19.820 1.00 1.38 H new ATOM 0 HB3 SER B 69 9.361 -4.126 19.991 1.00 1.38 H new ATOM 0 HG SER B 69 11.384 -5.048 19.332 1.00 2.60 H new ATOM 2732 N GLU B 70 6.750 -2.952 17.754 1.00 1.14 N ATOM 2733 CA GLU B 70 5.486 -3.433 17.239 1.00 1.12 C ATOM 2734 C GLU B 70 5.259 -2.689 15.924 1.00 1.03 C ATOM 2735 O GLU B 70 4.871 -1.517 15.920 1.00 1.06 O ATOM 2736 CB GLU B 70 4.366 -3.118 18.243 1.00 1.18 C ATOM 2737 CG GLU B 70 3.077 -3.859 17.864 1.00 2.14 C ATOM 2738 CD GLU B 70 1.801 -3.174 18.336 1.00 2.85 C ATOM 2739 OE1 GLU B 70 1.814 -1.948 18.580 1.00 3.35 O ATOM 2740 OE2 GLU B 70 0.727 -3.818 18.294 1.00 3.65 O ATOM 0 H GLU B 70 6.700 -1.980 18.058 1.00 1.14 H new ATOM 0 HA GLU B 70 5.490 -4.512 17.083 1.00 1.12 H new ATOM 0 HB2 GLU B 70 4.677 -3.409 19.246 1.00 1.18 H new ATOM 0 HB3 GLU B 70 4.181 -2.044 18.265 1.00 1.18 H new ATOM 0 HG2 GLU B 70 3.039 -3.967 16.780 1.00 2.14 H new ATOM 0 HG3 GLU B 70 3.113 -4.865 18.283 1.00 2.14 H new ATOM 2747 N LEU B 71 5.511 -3.356 14.802 1.00 1.02 N ATOM 2748 CA LEU B 71 5.227 -2.818 13.486 1.00 0.99 C ATOM 2749 C LEU B 71 3.713 -2.922 13.287 1.00 0.97 C ATOM 2750 O LEU B 71 3.165 -4.020 13.165 1.00 1.04 O ATOM 2751 CB LEU B 71 6.019 -3.574 12.409 1.00 1.01 C ATOM 2752 CG LEU B 71 7.509 -3.223 12.296 1.00 1.01 C ATOM 2753 CD1 LEU B 71 7.727 -1.881 11.586 1.00 1.02 C ATOM 2754 CD2 LEU B 71 8.236 -3.262 13.644 1.00 1.09 C ATOM 0 H LEU B 71 5.920 -4.290 14.786 1.00 1.02 H new ATOM 0 HA LEU B 71 5.537 -1.777 13.401 1.00 0.99 H new ATOM 0 HB2 LEU B 71 5.932 -4.643 12.606 1.00 1.01 H new ATOM 0 HB3 LEU B 71 5.549 -3.388 11.443 1.00 1.01 H new ATOM 0 HG LEU B 71 7.954 -4.004 11.679 1.00 1.01 H new ATOM 0 HD11 LEU B 71 8.795 -1.670 11.527 1.00 1.02 H new ATOM 0 HD12 LEU B 71 7.310 -1.930 10.580 1.00 1.02 H new ATOM 0 HD13 LEU B 71 7.231 -1.088 12.146 1.00 1.02 H new ATOM 0 HD21 LEU B 71 9.285 -3.005 13.499 1.00 1.09 H new ATOM 0 HD22 LEU B 71 7.778 -2.545 14.325 1.00 1.09 H new ATOM 0 HD23 LEU B 71 8.163 -4.264 14.068 1.00 1.09 H new ATOM 2766 N LYS B 72 3.047 -1.767 13.309 1.00 0.96 N ATOM 2767 CA LYS B 72 1.607 -1.599 13.209 1.00 0.99 C ATOM 2768 C LYS B 72 1.197 -1.600 11.733 1.00 1.10 C ATOM 2769 O LYS B 72 2.012 -1.291 10.861 1.00 1.06 O ATOM 2770 CB LYS B 72 1.285 -0.238 13.855 1.00 1.18 C ATOM 2771 CG LYS B 72 -0.193 0.077 14.136 1.00 1.55 C ATOM 2772 CD LYS B 72 -0.533 -0.068 15.631 1.00 2.27 C ATOM 2773 CE LYS B 72 -0.433 -1.523 16.116 1.00 3.47 C ATOM 2774 NZ LYS B 72 -0.513 -1.641 17.585 1.00 4.17 N ATOM 0 H LYS B 72 3.532 -0.875 13.403 1.00 0.96 H new ATOM 0 HA LYS B 72 1.067 -2.404 13.708 1.00 0.99 H new ATOM 0 HB2 LYS B 72 1.828 -0.175 14.798 1.00 1.18 H new ATOM 0 HB3 LYS B 72 1.679 0.545 13.207 1.00 1.18 H new ATOM 0 HG2 LYS B 72 -0.417 1.092 13.809 1.00 1.55 H new ATOM 0 HG3 LYS B 72 -0.825 -0.593 13.553 1.00 1.55 H new ATOM 0 HD2 LYS B 72 0.143 0.555 16.217 1.00 2.27 H new ATOM 0 HD3 LYS B 72 -1.542 0.303 15.809 1.00 2.27 H new ATOM 0 HE2 LYS B 72 -1.234 -2.108 15.665 1.00 3.47 H new ATOM 0 HE3 LYS B 72 0.508 -1.952 15.772 1.00 3.47 H new ATOM 0 HZ1 LYS B 72 -0.492 -2.645 17.854 1.00 4.17 H new ATOM 0 HZ2 LYS B 72 0.295 -1.149 18.017 1.00 4.17 H new ATOM 0 HZ3 LYS B 72 -1.399 -1.212 17.920 1.00 4.17 H new ATOM 2788 N PHE B 73 -0.083 -1.860 11.441 1.00 1.32 N ATOM 2789 CA PHE B 73 -0.611 -1.739 10.086 1.00 1.43 C ATOM 2790 C PHE B 73 -1.064 -0.303 9.772 1.00 1.38 C ATOM 2791 O PHE B 73 -2.112 -0.096 9.166 1.00 1.70 O ATOM 2792 CB PHE B 73 -1.745 -2.768 9.900 1.00 1.83 C ATOM 2793 CG PHE B 73 -2.693 -2.954 11.081 1.00 1.55 C ATOM 2794 CD1 PHE B 73 -3.460 -1.880 11.573 1.00 2.49 C ATOM 2795 CD2 PHE B 73 -2.819 -4.222 11.682 1.00 2.86 C ATOM 2796 CE1 PHE B 73 -4.307 -2.061 12.681 1.00 3.85 C ATOM 2797 CE2 PHE B 73 -3.704 -4.413 12.755 1.00 3.83 C ATOM 2798 CZ PHE B 73 -4.429 -3.328 13.274 1.00 4.20 C ATOM 0 H PHE B 73 -0.772 -2.157 12.132 1.00 1.32 H new ATOM 0 HA PHE B 73 0.181 -1.957 9.370 1.00 1.43 H new ATOM 0 HB2 PHE B 73 -2.335 -2.473 9.032 1.00 1.83 H new ATOM 0 HB3 PHE B 73 -1.296 -3.733 9.667 1.00 1.83 H new ATOM 0 HD1 PHE B 73 -3.397 -0.913 11.097 1.00 2.49 H new ATOM 0 HD2 PHE B 73 -2.232 -5.051 11.316 1.00 2.86 H new ATOM 0 HE1 PHE B 73 -4.864 -1.225 13.076 1.00 3.85 H new ATOM 0 HE2 PHE B 73 -3.828 -5.397 13.182 1.00 3.83 H new ATOM 0 HZ PHE B 73 -5.078 -3.468 14.126 1.00 4.20 H new ATOM 2808 N ASN B 74 -0.171 0.669 9.995 1.00 1.22 N ATOM 2809 CA ASN B 74 0.395 1.481 8.920 1.00 1.03 C ATOM 2810 C ASN B 74 1.709 2.098 9.435 1.00 0.94 C ATOM 2811 O ASN B 74 1.972 3.279 9.231 1.00 1.20 O ATOM 2812 CB ASN B 74 -0.634 2.581 8.546 1.00 1.12 C ATOM 2813 CG ASN B 74 -0.412 3.328 7.228 1.00 1.68 C ATOM 2814 OD1 ASN B 74 -1.378 3.678 6.550 1.00 2.15 O ATOM 2815 ND2 ASN B 74 0.819 3.640 6.853 1.00 2.24 N ATOM 0 H ASN B 74 0.176 0.911 10.923 1.00 1.22 H new ATOM 0 HA ASN B 74 0.607 0.887 8.031 1.00 1.03 H new ATOM 0 HB2 ASN B 74 -1.622 2.122 8.512 1.00 1.12 H new ATOM 0 HB3 ASN B 74 -0.652 3.315 9.352 1.00 1.12 H new ATOM 0 HD21 ASN B 74 0.972 4.174 5.997 1.00 2.24 H new ATOM 0 HD22 ASN B 74 1.615 3.347 7.420 1.00 2.24 H new ATOM 2822 N GLU B 75 2.596 1.301 10.036 1.00 0.85 N ATOM 2823 CA GLU B 75 4.040 1.399 9.917 1.00 0.81 C ATOM 2824 C GLU B 75 4.479 0.468 8.790 1.00 0.83 C ATOM 2825 O GLU B 75 5.003 0.895 7.761 1.00 0.85 O ATOM 2826 CB GLU B 75 4.677 1.067 11.271 1.00 0.83 C ATOM 2827 CG GLU B 75 4.256 2.110 12.322 1.00 0.90 C ATOM 2828 CD GLU B 75 4.583 1.652 13.726 1.00 0.89 C ATOM 2829 OE1 GLU B 75 4.434 0.457 14.044 1.00 2.15 O ATOM 2830 OE2 GLU B 75 5.026 2.437 14.585 1.00 1.69 O ATOM 0 H GLU B 75 2.306 0.536 10.646 1.00 0.85 H new ATOM 0 HA GLU B 75 4.368 2.407 9.661 1.00 0.81 H new ATOM 0 HB2 GLU B 75 4.370 0.071 11.592 1.00 0.83 H new ATOM 0 HB3 GLU B 75 5.763 1.051 11.177 1.00 0.83 H new ATOM 0 HG2 GLU B 75 4.761 3.055 12.120 1.00 0.90 H new ATOM 0 HG3 GLU B 75 3.185 2.297 12.240 1.00 0.90 H new ATOM 2837 N TYR B 76 4.197 -0.827 9.007 1.00 0.86 N ATOM 2838 CA TYR B 76 4.578 -1.940 8.144 1.00 0.87 C ATOM 2839 C TYR B 76 4.232 -1.649 6.697 1.00 0.84 C ATOM 2840 O TYR B 76 5.033 -1.908 5.804 1.00 0.85 O ATOM 2841 CB TYR B 76 3.861 -3.227 8.613 1.00 0.93 C ATOM 2842 CG TYR B 76 3.714 -4.310 7.552 1.00 1.12 C ATOM 2843 CD1 TYR B 76 2.630 -4.270 6.652 1.00 2.06 C ATOM 2844 CD2 TYR B 76 4.704 -5.293 7.389 1.00 2.26 C ATOM 2845 CE1 TYR B 76 2.644 -5.068 5.496 1.00 2.77 C ATOM 2846 CE2 TYR B 76 4.706 -6.110 6.247 1.00 2.82 C ATOM 2847 CZ TYR B 76 3.702 -5.966 5.277 1.00 2.76 C ATOM 2848 OH TYR B 76 3.708 -6.769 4.177 1.00 3.69 O ATOM 0 H TYR B 76 3.674 -1.133 9.827 1.00 0.86 H new ATOM 0 HA TYR B 76 5.657 -2.079 8.212 1.00 0.87 H new ATOM 0 HB2 TYR B 76 4.409 -3.642 9.459 1.00 0.93 H new ATOM 0 HB3 TYR B 76 2.869 -2.959 8.976 1.00 0.93 H new ATOM 0 HD1 TYR B 76 1.787 -3.625 6.851 1.00 2.06 H new ATOM 0 HD2 TYR B 76 5.466 -5.421 8.144 1.00 2.26 H new ATOM 0 HE1 TYR B 76 1.842 -4.991 4.776 1.00 2.77 H new ATOM 0 HE2 TYR B 76 5.481 -6.850 6.115 1.00 2.82 H new ATOM 0 HH TYR B 76 4.574 -6.697 3.724 1.00 3.69 H new ATOM 2858 N TRP B 77 3.016 -1.152 6.482 1.00 0.84 N ATOM 2859 CA TRP B 77 2.435 -1.014 5.164 1.00 0.84 C ATOM 2860 C TRP B 77 3.380 -0.315 4.177 1.00 0.71 C ATOM 2861 O TRP B 77 3.440 -0.697 3.006 1.00 0.72 O ATOM 2862 CB TRP B 77 1.094 -0.295 5.290 1.00 0.93 C ATOM 2863 CG TRP B 77 0.496 -0.035 3.958 1.00 1.20 C ATOM 2864 CD1 TRP B 77 0.013 -0.980 3.122 1.00 2.55 C ATOM 2865 CD2 TRP B 77 0.516 1.208 3.205 1.00 1.42 C ATOM 2866 NE1 TRP B 77 -0.260 -0.407 1.904 1.00 2.77 N ATOM 2867 CE2 TRP B 77 -0.024 0.944 1.920 1.00 1.77 C ATOM 2868 CE3 TRP B 77 0.990 2.516 3.448 1.00 2.86 C ATOM 2869 CZ2 TRP B 77 -0.176 1.940 0.954 1.00 2.15 C ATOM 2870 CZ3 TRP B 77 0.906 3.501 2.447 1.00 3.56 C ATOM 2871 CH2 TRP B 77 0.278 3.225 1.235 1.00 2.86 C ATOM 0 H TRP B 77 2.405 -0.832 7.233 1.00 0.84 H new ATOM 0 HA TRP B 77 2.269 -2.007 4.745 1.00 0.84 H new ATOM 0 HB2 TRP B 77 0.410 -0.898 5.887 1.00 0.93 H new ATOM 0 HB3 TRP B 77 1.232 0.648 5.819 1.00 0.93 H new ATOM 0 HD1 TRP B 77 -0.135 -2.020 3.372 1.00 2.55 H new ATOM 0 HE1 TRP B 77 -0.596 -0.922 1.090 1.00 2.77 H new ATOM 0 HE3 TRP B 77 1.420 2.762 4.408 1.00 2.86 H new ATOM 0 HZ2 TRP B 77 -0.638 1.717 0.004 1.00 2.15 H new ATOM 0 HZ3 TRP B 77 1.332 4.478 2.620 1.00 3.56 H new ATOM 0 HH2 TRP B 77 0.143 4.013 0.509 1.00 2.86 H new ATOM 2882 N ARG B 78 4.146 0.673 4.658 1.00 0.66 N ATOM 2883 CA ARG B 78 5.188 1.346 3.888 1.00 0.65 C ATOM 2884 C ARG B 78 6.015 0.358 3.060 1.00 0.60 C ATOM 2885 O ARG B 78 6.364 0.659 1.924 1.00 0.68 O ATOM 2886 CB ARG B 78 6.142 2.069 4.837 1.00 0.65 C ATOM 2887 CG ARG B 78 5.536 3.257 5.597 1.00 0.87 C ATOM 2888 CD ARG B 78 6.573 3.784 6.600 1.00 1.57 C ATOM 2889 NE ARG B 78 6.114 5.002 7.284 1.00 2.31 N ATOM 2890 CZ ARG B 78 6.867 5.745 8.116 1.00 3.32 C ATOM 2891 NH1 ARG B 78 8.119 5.377 8.415 1.00 4.13 N ATOM 2892 NH2 ARG B 78 6.360 6.868 8.640 1.00 4.38 N ATOM 0 H ARG B 78 4.054 1.029 5.609 1.00 0.66 H new ATOM 0 HA ARG B 78 4.690 2.045 3.216 1.00 0.65 H new ATOM 0 HB2 ARG B 78 6.521 1.349 5.563 1.00 0.65 H new ATOM 0 HB3 ARG B 78 6.998 2.424 4.264 1.00 0.65 H new ATOM 0 HG2 ARG B 78 5.251 4.045 4.900 1.00 0.87 H new ATOM 0 HG3 ARG B 78 4.630 2.949 6.118 1.00 0.87 H new ATOM 0 HD2 ARG B 78 6.786 3.012 7.340 1.00 1.57 H new ATOM 0 HD3 ARG B 78 7.507 3.992 6.079 1.00 1.57 H new ATOM 0 HE ARG B 78 5.155 5.306 7.116 1.00 2.31 H new ATOM 0 HH11 ARG B 78 8.511 4.526 8.011 1.00 4.13 H new ATOM 0 HH12 ARG B 78 8.681 5.947 9.047 1.00 4.13 H new ATOM 0 HH21 ARG B 78 5.409 7.155 8.408 1.00 4.38 H new ATOM 0 HH22 ARG B 78 6.925 7.436 9.271 1.00 4.38 H new ATOM 2906 N LEU B 79 6.336 -0.811 3.623 1.00 0.53 N ATOM 2907 CA LEU B 79 7.098 -1.852 2.962 1.00 0.54 C ATOM 2908 C LEU B 79 6.487 -2.238 1.618 1.00 0.66 C ATOM 2909 O LEU B 79 7.223 -2.356 0.642 1.00 0.76 O ATOM 2910 CB LEU B 79 7.186 -3.086 3.867 1.00 0.58 C ATOM 2911 CG LEU B 79 8.269 -4.066 3.390 1.00 0.67 C ATOM 2912 CD1 LEU B 79 9.656 -3.610 3.861 1.00 0.67 C ATOM 2913 CD2 LEU B 79 7.947 -5.485 3.869 1.00 0.83 C ATOM 0 H LEU B 79 6.062 -1.057 4.574 1.00 0.53 H new ATOM 0 HA LEU B 79 8.097 -1.461 2.771 1.00 0.54 H new ATOM 0 HB2 LEU B 79 7.403 -2.773 4.888 1.00 0.58 H new ATOM 0 HB3 LEU B 79 6.221 -3.592 3.887 1.00 0.58 H new ATOM 0 HG LEU B 79 8.282 -4.076 2.300 1.00 0.67 H new ATOM 0 HD11 LEU B 79 10.409 -4.317 3.513 1.00 0.67 H new ATOM 0 HD12 LEU B 79 9.871 -2.622 3.455 1.00 0.67 H new ATOM 0 HD13 LEU B 79 9.674 -3.567 4.950 1.00 0.67 H new ATOM 0 HD21 LEU B 79 8.722 -6.170 3.525 1.00 0.83 H new ATOM 0 HD22 LEU B 79 7.907 -5.501 4.958 1.00 0.83 H new ATOM 0 HD23 LEU B 79 6.983 -5.795 3.466 1.00 0.83 H new ATOM 2925 N ILE B 80 5.161 -2.426 1.543 1.00 0.73 N ATOM 2926 CA ILE B 80 4.510 -2.768 0.297 1.00 0.88 C ATOM 2927 C ILE B 80 4.701 -1.579 -0.657 1.00 1.03 C ATOM 2928 O ILE B 80 4.854 -1.754 -1.860 1.00 1.17 O ATOM 2929 CB ILE B 80 3.051 -3.185 0.552 1.00 0.93 C ATOM 2930 CG1 ILE B 80 2.984 -4.395 1.507 1.00 1.26 C ATOM 2931 CG2 ILE B 80 2.362 -3.542 -0.778 1.00 1.33 C ATOM 2932 CD1 ILE B 80 1.543 -4.847 1.775 1.00 1.46 C ATOM 0 H ILE B 80 4.529 -2.344 2.339 1.00 0.73 H new ATOM 0 HA ILE B 80 4.952 -3.641 -0.183 1.00 0.88 H new ATOM 0 HB ILE B 80 2.535 -2.344 1.015 1.00 0.93 H new ATOM 0 HG12 ILE B 80 3.549 -5.224 1.080 1.00 1.26 H new ATOM 0 HG13 ILE B 80 3.463 -4.136 2.451 1.00 1.26 H new ATOM 0 HG21 ILE B 80 1.330 -3.836 -0.586 1.00 1.33 H new ATOM 0 HG22 ILE B 80 2.376 -2.675 -1.439 1.00 1.33 H new ATOM 0 HG23 ILE B 80 2.892 -4.368 -1.252 1.00 1.33 H new ATOM 0 HD11 ILE B 80 1.550 -5.701 2.452 1.00 1.46 H new ATOM 0 HD12 ILE B 80 0.983 -4.029 2.228 1.00 1.46 H new ATOM 0 HD13 ILE B 80 1.071 -5.133 0.835 1.00 1.46 H new ATOM 2944 N GLY B 81 4.769 -0.365 -0.107 1.00 1.08 N ATOM 2945 CA GLY B 81 4.976 0.878 -0.818 1.00 1.25 C ATOM 2946 C GLY B 81 6.315 0.933 -1.473 1.00 1.17 C ATOM 2947 O GLY B 81 6.449 1.297 -2.641 1.00 1.33 O ATOM 0 H GLY B 81 4.675 -0.226 0.899 1.00 1.08 H new ATOM 0 HA2 GLY B 81 4.199 0.997 -1.573 1.00 1.25 H new ATOM 0 HA3 GLY B 81 4.878 1.713 -0.124 1.00 1.25 H new ATOM 2951 N GLU B 82 7.314 0.590 -0.687 1.00 0.99 N ATOM 2952 CA GLU B 82 8.653 0.527 -1.170 1.00 1.01 C ATOM 2953 C GLU B 82 8.726 -0.602 -2.172 1.00 1.05 C ATOM 2954 O GLU B 82 8.883 -0.302 -3.339 1.00 1.07 O ATOM 2955 CB GLU B 82 9.560 0.404 0.033 1.00 0.88 C ATOM 2956 CG GLU B 82 9.469 1.744 0.781 1.00 0.94 C ATOM 2957 CD GLU B 82 10.626 2.616 0.310 1.00 1.45 C ATOM 2958 OE1 GLU B 82 10.436 3.268 -0.745 1.00 2.39 O ATOM 2959 OE2 GLU B 82 11.743 2.529 0.851 1.00 2.18 O ATOM 0 H GLU B 82 7.208 0.350 0.299 1.00 0.99 H new ATOM 0 HA GLU B 82 8.984 1.417 -1.705 1.00 1.01 H new ATOM 0 HB2 GLU B 82 9.247 -0.421 0.673 1.00 0.88 H new ATOM 0 HB3 GLU B 82 10.586 0.198 -0.273 1.00 0.88 H new ATOM 0 HG2 GLU B 82 8.515 2.231 0.578 1.00 0.94 H new ATOM 0 HG3 GLU B 82 9.523 1.585 1.858 1.00 0.94 H new ATOM 2966 N LEU B 83 8.488 -1.855 -1.795 1.00 1.10 N ATOM 2967 CA LEU B 83 8.646 -2.946 -2.747 1.00 1.24 C ATOM 2968 C LEU B 83 7.833 -2.744 -4.032 1.00 1.22 C ATOM 2969 O LEU B 83 8.316 -3.074 -5.113 1.00 1.25 O ATOM 2970 CB LEU B 83 8.449 -4.303 -2.075 1.00 1.80 C ATOM 2971 CG LEU B 83 7.020 -4.636 -1.650 1.00 0.61 C ATOM 2972 CD1 LEU B 83 6.241 -5.383 -2.725 1.00 1.83 C ATOM 2973 CD2 LEU B 83 7.005 -5.527 -0.404 1.00 1.44 C ATOM 0 H LEU B 83 8.192 -2.135 -0.860 1.00 1.10 H new ATOM 0 HA LEU B 83 9.680 -2.935 -3.092 1.00 1.24 H new ATOM 0 HB2 LEU B 83 8.794 -5.079 -2.758 1.00 1.80 H new ATOM 0 HB3 LEU B 83 9.089 -4.347 -1.194 1.00 1.80 H new ATOM 0 HG LEU B 83 6.552 -3.671 -1.457 1.00 0.61 H new ATOM 0 HD11 LEU B 83 5.233 -5.592 -2.365 1.00 1.83 H new ATOM 0 HD12 LEU B 83 6.185 -4.771 -3.625 1.00 1.83 H new ATOM 0 HD13 LEU B 83 6.746 -6.321 -2.955 1.00 1.83 H new ATOM 0 HD21 LEU B 83 5.974 -5.747 -0.126 1.00 1.44 H new ATOM 0 HD22 LEU B 83 7.530 -6.458 -0.616 1.00 1.44 H new ATOM 0 HD23 LEU B 83 7.500 -5.011 0.418 1.00 1.44 H new ATOM 2985 N ALA B 84 6.638 -2.147 -3.941 1.00 1.25 N ATOM 2986 CA ALA B 84 5.906 -1.737 -5.127 1.00 1.31 C ATOM 2987 C ALA B 84 6.702 -0.701 -5.912 1.00 1.25 C ATOM 2988 O ALA B 84 7.060 -0.934 -7.064 1.00 1.64 O ATOM 2989 CB ALA B 84 4.524 -1.179 -4.763 1.00 1.35 C ATOM 0 H ALA B 84 6.167 -1.942 -3.060 1.00 1.25 H new ATOM 0 HA ALA B 84 5.761 -2.619 -5.751 1.00 1.31 H new ATOM 0 HB1 ALA B 84 4.001 -0.881 -5.672 1.00 1.35 H new ATOM 0 HB2 ALA B 84 3.946 -1.946 -4.247 1.00 1.35 H new ATOM 0 HB3 ALA B 84 4.641 -0.313 -4.111 1.00 1.35 H new ATOM 2995 N LYS B 85 6.984 0.457 -5.307 1.00 0.86 N ATOM 2996 CA LYS B 85 7.567 1.550 -6.061 1.00 0.74 C ATOM 2997 C LYS B 85 8.977 1.214 -6.550 1.00 0.59 C ATOM 2998 O LYS B 85 9.335 1.683 -7.618 1.00 0.66 O ATOM 2999 CB LYS B 85 7.434 2.907 -5.343 1.00 1.01 C ATOM 3000 CG LYS B 85 8.579 3.251 -4.383 1.00 1.17 C ATOM 3001 CD LYS B 85 8.410 4.646 -3.765 1.00 1.17 C ATOM 3002 CE LYS B 85 7.501 4.640 -2.535 1.00 1.00 C ATOM 3003 NZ LYS B 85 8.210 4.314 -1.284 1.00 1.68 N ATOM 0 H LYS B 85 6.820 0.652 -4.319 1.00 0.86 H new ATOM 0 HA LYS B 85 6.977 1.676 -6.969 1.00 0.74 H new ATOM 0 HB2 LYS B 85 7.363 3.693 -6.095 1.00 1.01 H new ATOM 0 HB3 LYS B 85 6.498 2.915 -4.785 1.00 1.01 H new ATOM 0 HG2 LYS B 85 8.623 2.505 -3.589 1.00 1.17 H new ATOM 0 HG3 LYS B 85 9.528 3.204 -4.918 1.00 1.17 H new ATOM 0 HD2 LYS B 85 9.389 5.037 -3.487 1.00 1.17 H new ATOM 0 HD3 LYS B 85 7.998 5.323 -4.513 1.00 1.17 H new ATOM 0 HE2 LYS B 85 7.033 5.619 -2.434 1.00 1.00 H new ATOM 0 HE3 LYS B 85 6.699 3.918 -2.688 1.00 1.00 H new ATOM 0 HZ1 LYS B 85 7.621 3.680 -0.706 1.00 1.68 H new ATOM 0 HZ2 LYS B 85 9.110 3.843 -1.508 1.00 1.68 H new ATOM 0 HZ3 LYS B 85 8.400 5.189 -0.754 1.00 1.68 H new ATOM 3017 N GLU B 86 9.756 0.411 -5.810 1.00 0.62 N ATOM 3018 CA GLU B 86 11.092 -0.103 -6.126 1.00 0.70 C ATOM 3019 C GLU B 86 11.178 -0.561 -7.577 1.00 0.86 C ATOM 3020 O GLU B 86 12.196 -0.336 -8.228 1.00 1.10 O ATOM 3021 CB GLU B 86 11.465 -1.263 -5.183 1.00 0.76 C ATOM 3022 CG GLU B 86 11.765 -0.798 -3.743 1.00 0.91 C ATOM 3023 CD GLU B 86 13.212 -0.395 -3.490 1.00 1.81 C ATOM 3024 OE1 GLU B 86 14.118 -1.077 -4.012 1.00 2.74 O ATOM 3025 OE2 GLU B 86 13.436 0.546 -2.693 1.00 2.45 O ATOM 0 H GLU B 86 9.439 0.078 -4.900 1.00 0.62 H new ATOM 0 HA GLU B 86 11.802 0.711 -5.982 1.00 0.70 H new ATOM 0 HB2 GLU B 86 10.648 -1.984 -5.163 1.00 0.76 H new ATOM 0 HB3 GLU B 86 12.338 -1.781 -5.581 1.00 0.76 H new ATOM 0 HG2 GLU B 86 11.120 0.049 -3.508 1.00 0.91 H new ATOM 0 HG3 GLU B 86 11.500 -1.601 -3.055 1.00 0.91 H new ATOM 3032 N ILE B 87 10.104 -1.177 -8.091 1.00 0.83 N ATOM 3033 CA ILE B 87 10.036 -1.606 -9.477 1.00 0.97 C ATOM 3034 C ILE B 87 10.428 -0.440 -10.418 1.00 1.08 C ATOM 3035 O ILE B 87 11.154 -0.638 -11.389 1.00 1.31 O ATOM 3036 CB ILE B 87 8.654 -2.272 -9.728 1.00 0.92 C ATOM 3037 CG1 ILE B 87 8.766 -3.415 -10.758 1.00 1.02 C ATOM 3038 CG2 ILE B 87 7.587 -1.260 -10.171 1.00 0.94 C ATOM 3039 CD1 ILE B 87 7.652 -4.456 -10.588 1.00 0.85 C ATOM 0 H ILE B 87 9.265 -1.387 -7.551 1.00 0.83 H new ATOM 0 HA ILE B 87 10.770 -2.378 -9.708 1.00 0.97 H new ATOM 0 HB ILE B 87 8.333 -2.688 -8.773 1.00 0.92 H new ATOM 0 HG12 ILE B 87 8.723 -3.000 -11.765 1.00 1.02 H new ATOM 0 HG13 ILE B 87 9.736 -3.902 -10.654 1.00 1.02 H new ATOM 0 HG21 ILE B 87 6.641 -1.776 -10.333 1.00 0.94 H new ATOM 0 HG22 ILE B 87 7.460 -0.503 -9.397 1.00 0.94 H new ATOM 0 HG23 ILE B 87 7.902 -0.781 -11.098 1.00 0.94 H new ATOM 0 HD11 ILE B 87 7.771 -5.242 -11.334 1.00 0.85 H new ATOM 0 HD12 ILE B 87 7.710 -4.891 -9.590 1.00 0.85 H new ATOM 0 HD13 ILE B 87 6.682 -3.976 -10.718 1.00 0.85 H new ATOM 3051 N ARG B 88 9.972 0.782 -10.104 1.00 1.02 N ATOM 3052 CA ARG B 88 10.415 2.059 -10.667 1.00 1.32 C ATOM 3053 C ARG B 88 11.671 2.619 -9.962 1.00 1.41 C ATOM 3054 O ARG B 88 12.682 2.902 -10.603 1.00 1.75 O ATOM 3055 CB ARG B 88 9.214 3.026 -10.632 1.00 1.37 C ATOM 3056 CG ARG B 88 9.396 4.346 -11.398 1.00 2.08 C ATOM 3057 CD ARG B 88 10.001 5.469 -10.541 1.00 2.95 C ATOM 3058 NE ARG B 88 9.986 6.756 -11.256 1.00 3.29 N ATOM 3059 CZ ARG B 88 8.953 7.618 -11.328 1.00 4.18 C ATOM 3060 NH1 ARG B 88 7.791 7.375 -10.724 1.00 5.20 N ATOM 3061 NH2 ARG B 88 9.064 8.755 -12.014 1.00 4.79 N ATOM 0 H ARG B 88 9.239 0.909 -9.407 1.00 1.02 H new ATOM 0 HA ARG B 88 10.736 1.919 -11.699 1.00 1.32 H new ATOM 0 HB2 ARG B 88 8.344 2.510 -11.037 1.00 1.37 H new ATOM 0 HB3 ARG B 88 8.990 3.260 -9.591 1.00 1.37 H new ATOM 0 HG2 ARG B 88 10.038 4.171 -12.261 1.00 2.08 H new ATOM 0 HG3 ARG B 88 8.429 4.672 -11.781 1.00 2.08 H new ATOM 0 HD2 ARG B 88 9.441 5.561 -9.611 1.00 2.95 H new ATOM 0 HD3 ARG B 88 11.026 5.212 -10.272 1.00 2.95 H new ATOM 0 HE ARG B 88 10.841 7.021 -11.745 1.00 3.29 H new ATOM 0 HH11 ARG B 88 7.665 6.516 -10.188 1.00 5.20 H new ATOM 0 HH12 ARG B 88 7.028 8.048 -10.797 1.00 5.20 H new ATOM 0 HH21 ARG B 88 9.937 8.980 -12.491 1.00 4.79 H new ATOM 0 HH22 ARG B 88 8.276 9.401 -12.062 1.00 4.79 H new ATOM 3075 N LYS B 89 11.571 2.860 -8.649 1.00 1.27 N ATOM 3076 CA LYS B 89 12.519 3.527 -7.755 1.00 1.47 C ATOM 3077 C LYS B 89 13.794 2.695 -7.558 1.00 1.43 C ATOM 3078 O LYS B 89 14.128 2.308 -6.439 1.00 1.94 O ATOM 3079 CB LYS B 89 11.795 3.750 -6.410 1.00 1.56 C ATOM 3080 CG LYS B 89 12.572 4.419 -5.256 1.00 2.69 C ATOM 3081 CD LYS B 89 12.274 3.619 -3.982 1.00 3.57 C ATOM 3082 CE LYS B 89 13.254 3.853 -2.827 1.00 5.18 C ATOM 3083 NZ LYS B 89 12.937 2.954 -1.695 1.00 6.82 N ATOM 0 H LYS B 89 10.740 2.562 -8.138 1.00 1.27 H new ATOM 0 HA LYS B 89 12.837 4.476 -8.187 1.00 1.47 H new ATOM 0 HB2 LYS B 89 10.909 4.354 -6.607 1.00 1.56 H new ATOM 0 HB3 LYS B 89 11.447 2.780 -6.056 1.00 1.56 H new ATOM 0 HG2 LYS B 89 13.642 4.424 -5.465 1.00 2.69 H new ATOM 0 HG3 LYS B 89 12.265 5.458 -5.138 1.00 2.69 H new ATOM 0 HD2 LYS B 89 11.269 3.867 -3.642 1.00 3.57 H new ATOM 0 HD3 LYS B 89 12.274 2.557 -4.229 1.00 3.57 H new ATOM 0 HE2 LYS B 89 14.275 3.676 -3.166 1.00 5.18 H new ATOM 0 HE3 LYS B 89 13.201 4.892 -2.501 1.00 5.18 H new ATOM 0 HZ1 LYS B 89 13.270 3.382 -0.808 1.00 6.82 H new ATOM 0 HZ2 LYS B 89 11.908 2.808 -1.645 1.00 6.82 H new ATOM 0 HZ3 LYS B 89 13.410 2.038 -1.836 1.00 6.82 H new ATOM 3097 N LYS B 90 14.552 2.463 -8.627 1.00 1.38 N ATOM 3098 CA LYS B 90 15.890 1.893 -8.525 1.00 1.59 C ATOM 3099 C LYS B 90 16.924 2.972 -8.156 1.00 2.19 C ATOM 3100 O LYS B 90 18.024 2.652 -7.716 1.00 2.85 O ATOM 3101 CB LYS B 90 16.222 1.168 -9.837 1.00 2.13 C ATOM 3102 CG LYS B 90 17.339 0.135 -9.642 1.00 2.69 C ATOM 3103 CD LYS B 90 17.498 -0.724 -10.904 1.00 3.52 C ATOM 3104 CE LYS B 90 18.532 -1.833 -10.666 1.00 4.70 C ATOM 3105 NZ LYS B 90 18.663 -2.732 -11.832 1.00 6.02 N ATOM 0 H LYS B 90 14.257 2.664 -9.582 1.00 1.38 H new ATOM 0 HA LYS B 90 15.925 1.162 -7.717 1.00 1.59 H new ATOM 0 HB2 LYS B 90 15.328 0.672 -10.216 1.00 2.13 H new ATOM 0 HB3 LYS B 90 16.526 1.896 -10.589 1.00 2.13 H new ATOM 0 HG2 LYS B 90 18.278 0.642 -9.419 1.00 2.69 H new ATOM 0 HG3 LYS B 90 17.110 -0.501 -8.787 1.00 2.69 H new ATOM 0 HD2 LYS B 90 16.539 -1.164 -11.176 1.00 3.52 H new ATOM 0 HD3 LYS B 90 17.811 -0.099 -11.741 1.00 3.52 H new ATOM 0 HE2 LYS B 90 19.500 -1.384 -10.445 1.00 4.70 H new ATOM 0 HE3 LYS B 90 18.243 -2.415 -9.791 1.00 4.70 H new ATOM 0 HZ1 LYS B 90 19.371 -3.465 -11.627 1.00 6.02 H new ATOM 0 HZ2 LYS B 90 17.746 -3.182 -12.028 1.00 6.02 H new ATOM 0 HZ3 LYS B 90 18.964 -2.182 -12.662 1.00 6.02 H new ATOM 3119 N LYS B 91 16.583 4.247 -8.383 1.00 2.48 N ATOM 3120 CA LYS B 91 17.486 5.395 -8.359 1.00 3.61 C ATOM 3121 C LYS B 91 17.228 6.262 -7.120 1.00 2.57 C ATOM 3122 O LYS B 91 18.159 6.785 -6.507 1.00 2.84 O ATOM 3123 CB LYS B 91 17.222 6.153 -9.676 1.00 5.52 C ATOM 3124 CG LYS B 91 18.237 7.213 -10.140 1.00 6.85 C ATOM 3125 CD LYS B 91 18.278 8.557 -9.393 1.00 7.83 C ATOM 3126 CE LYS B 91 16.924 9.179 -9.016 1.00 8.98 C ATOM 3127 NZ LYS B 91 15.906 9.199 -10.084 1.00 10.51 N ATOM 0 H LYS B 91 15.623 4.514 -8.598 1.00 2.48 H new ATOM 0 HA LYS B 91 18.533 5.099 -8.290 1.00 3.61 H new ATOM 0 HB2 LYS B 91 17.133 5.412 -10.471 1.00 5.52 H new ATOM 0 HB3 LYS B 91 16.252 6.642 -9.586 1.00 5.52 H new ATOM 0 HG2 LYS B 91 19.231 6.770 -10.082 1.00 6.85 H new ATOM 0 HG3 LYS B 91 18.042 7.423 -11.192 1.00 6.85 H new ATOM 0 HD2 LYS B 91 18.856 8.421 -8.479 1.00 7.83 H new ATOM 0 HD3 LYS B 91 18.821 9.273 -10.010 1.00 7.83 H new ATOM 0 HE2 LYS B 91 16.519 8.632 -8.164 1.00 8.98 H new ATOM 0 HE3 LYS B 91 17.096 10.203 -8.685 1.00 8.98 H new ATOM 0 HZ1 LYS B 91 14.960 9.277 -9.660 1.00 10.51 H new ATOM 0 HZ2 LYS B 91 16.074 10.013 -10.709 1.00 10.51 H new ATOM 0 HZ3 LYS B 91 15.966 8.320 -10.637 1.00 10.51 H new ATOM 3141 N ASP B 92 15.950 6.477 -6.800 1.00 1.84 N ATOM 3142 CA ASP B 92 15.473 7.565 -5.953 1.00 1.93 C ATOM 3143 C ASP B 92 15.691 7.254 -4.471 1.00 2.21 C ATOM 3144 O ASP B 92 14.759 6.972 -3.719 1.00 3.25 O ATOM 3145 CB ASP B 92 14.026 7.905 -6.354 1.00 2.80 C ATOM 3146 CG ASP B 92 13.877 7.979 -7.871 1.00 3.44 C ATOM 3147 OD1 ASP B 92 13.913 6.890 -8.488 1.00 4.12 O ATOM 3148 OD2 ASP B 92 13.897 9.101 -8.426 1.00 4.28 O ATOM 0 H ASP B 92 15.196 5.877 -7.136 1.00 1.84 H new ATOM 0 HA ASP B 92 16.058 8.471 -6.112 1.00 1.93 H new ATOM 0 HB2 ASP B 92 13.348 7.150 -5.956 1.00 2.80 H new ATOM 0 HB3 ASP B 92 13.737 8.858 -5.911 1.00 2.80 H new ATOM 3153 N LEU B 93 16.967 7.318 -4.081 1.00 2.53 N ATOM 3154 CA LEU B 93 17.499 7.107 -2.747 1.00 3.80 C ATOM 3155 C LEU B 93 17.858 8.459 -2.118 1.00 3.51 C ATOM 3156 O LEU B 93 17.412 8.785 -1.019 1.00 4.05 O ATOM 3157 CB LEU B 93 18.723 6.182 -2.902 1.00 5.32 C ATOM 3158 CG LEU B 93 19.714 6.185 -1.731 1.00 6.05 C ATOM 3159 CD1 LEU B 93 19.058 5.754 -0.415 1.00 6.54 C ATOM 3160 CD2 LEU B 93 20.878 5.241 -2.050 1.00 7.38 C ATOM 0 H LEU B 93 17.707 7.536 -4.748 1.00 2.53 H new ATOM 0 HA LEU B 93 16.775 6.639 -2.080 1.00 3.80 H new ATOM 0 HB2 LEU B 93 18.368 5.162 -3.050 1.00 5.32 H new ATOM 0 HB3 LEU B 93 19.258 6.468 -3.807 1.00 5.32 H new ATOM 0 HG LEU B 93 20.071 7.207 -1.603 1.00 6.05 H new ATOM 0 HD11 LEU B 93 19.799 5.772 0.384 1.00 6.54 H new ATOM 0 HD12 LEU B 93 18.246 6.439 -0.172 1.00 6.54 H new ATOM 0 HD13 LEU B 93 18.662 4.744 -0.520 1.00 6.54 H new ATOM 0 HD21 LEU B 93 21.584 5.241 -1.220 1.00 7.38 H new ATOM 0 HD22 LEU B 93 20.496 4.231 -2.202 1.00 7.38 H new ATOM 0 HD23 LEU B 93 21.382 5.578 -2.955 1.00 7.38 H new ATOM 3172 N LYS B 94 18.703 9.239 -2.799 1.00 3.64 N ATOM 3173 CA LYS B 94 19.300 10.457 -2.251 1.00 4.01 C ATOM 3174 C LYS B 94 18.296 11.617 -2.183 1.00 3.86 C ATOM 3175 O LYS B 94 18.406 12.586 -2.930 1.00 5.09 O ATOM 3176 CB LYS B 94 20.549 10.815 -3.071 1.00 5.38 C ATOM 3177 CG LYS B 94 21.745 9.913 -2.722 1.00 6.31 C ATOM 3178 CD LYS B 94 22.484 9.472 -3.992 1.00 7.76 C ATOM 3179 CE LYS B 94 23.918 8.990 -3.722 1.00 9.07 C ATOM 3180 NZ LYS B 94 23.976 7.822 -2.818 1.00 9.22 N ATOM 0 H LYS B 94 18.994 9.039 -3.756 1.00 3.64 H new ATOM 0 HA LYS B 94 19.597 10.271 -1.219 1.00 4.01 H new ATOM 0 HB2 LYS B 94 20.324 10.723 -4.134 1.00 5.38 H new ATOM 0 HB3 LYS B 94 20.815 11.856 -2.890 1.00 5.38 H new ATOM 0 HG2 LYS B 94 22.430 10.448 -2.065 1.00 6.31 H new ATOM 0 HG3 LYS B 94 21.398 9.036 -2.175 1.00 6.31 H new ATOM 0 HD2 LYS B 94 21.922 8.670 -4.471 1.00 7.76 H new ATOM 0 HD3 LYS B 94 22.514 10.305 -4.695 1.00 7.76 H new ATOM 0 HE2 LYS B 94 24.393 8.733 -4.669 1.00 9.07 H new ATOM 0 HE3 LYS B 94 24.494 9.807 -3.288 1.00 9.07 H new ATOM 0 HZ1 LYS B 94 24.968 7.543 -2.674 1.00 9.22 H new ATOM 0 HZ2 LYS B 94 23.549 8.070 -1.902 1.00 9.22 H new ATOM 0 HZ3 LYS B 94 23.452 7.029 -3.241 1.00 9.22 H new ATOM 3194 N ILE B 95 17.342 11.534 -1.253 1.00 3.34 N ATOM 3195 CA ILE B 95 16.486 12.659 -0.888 1.00 4.19 C ATOM 3196 C ILE B 95 17.269 13.685 -0.057 1.00 4.62 C ATOM 3197 O ILE B 95 18.381 13.413 0.397 1.00 5.16 O ATOM 3198 CB ILE B 95 15.193 12.167 -0.205 1.00 4.86 C ATOM 3199 CG1 ILE B 95 15.386 11.370 1.101 1.00 5.38 C ATOM 3200 CG2 ILE B 95 14.408 11.295 -1.197 1.00 5.71 C ATOM 3201 CD1 ILE B 95 15.778 12.226 2.310 1.00 6.35 C ATOM 0 H ILE B 95 17.143 10.680 -0.731 1.00 3.34 H new ATOM 0 HA ILE B 95 16.168 13.178 -1.792 1.00 4.19 H new ATOM 0 HB ILE B 95 14.658 13.073 0.081 1.00 4.86 H new ATOM 0 HG12 ILE B 95 14.461 10.841 1.330 1.00 5.38 H new ATOM 0 HG13 ILE B 95 16.155 10.614 0.941 1.00 5.38 H new ATOM 0 HG21 ILE B 95 13.492 10.941 -0.725 1.00 5.71 H new ATOM 0 HG22 ILE B 95 14.158 11.883 -2.080 1.00 5.71 H new ATOM 0 HG23 ILE B 95 15.017 10.441 -1.492 1.00 5.71 H new ATOM 0 HD11 ILE B 95 15.893 11.587 3.186 1.00 6.35 H new ATOM 0 HD12 ILE B 95 16.720 12.735 2.105 1.00 6.35 H new ATOM 0 HD13 ILE B 95 15.000 12.965 2.500 1.00 6.35 H new ATOM 3213 N ARG B 96 16.696 14.876 0.147 1.00 4.81 N ATOM 3214 CA ARG B 96 17.309 15.973 0.884 1.00 5.44 C ATOM 3215 C ARG B 96 16.188 16.961 1.234 1.00 5.36 C ATOM 3216 O ARG B 96 15.102 16.865 0.666 1.00 5.35 O ATOM 3217 CB ARG B 96 18.408 16.607 0.005 1.00 6.53 C ATOM 3218 CG ARG B 96 19.388 17.587 0.673 1.00 7.18 C ATOM 3219 CD ARG B 96 20.434 16.922 1.592 1.00 6.70 C ATOM 3220 NE ARG B 96 19.875 16.416 2.857 1.00 5.76 N ATOM 3221 CZ ARG B 96 19.366 17.183 3.835 1.00 5.77 C ATOM 3222 NH1 ARG B 96 19.466 18.510 3.756 1.00 6.49 N ATOM 3223 NH2 ARG B 96 18.705 16.632 4.858 1.00 5.86 N ATOM 0 H ARG B 96 15.767 15.104 -0.208 1.00 4.81 H new ATOM 0 HA ARG B 96 17.787 15.645 1.807 1.00 5.44 H new ATOM 0 HB2 ARG B 96 18.992 15.799 -0.435 1.00 6.53 H new ATOM 0 HB3 ARG B 96 17.919 17.131 -0.816 1.00 6.53 H new ATOM 0 HG2 ARG B 96 19.909 18.146 -0.104 1.00 7.18 H new ATOM 0 HG3 ARG B 96 18.818 18.310 1.257 1.00 7.18 H new ATOM 0 HD2 ARG B 96 20.903 16.096 1.056 1.00 6.70 H new ATOM 0 HD3 ARG B 96 21.220 17.644 1.815 1.00 6.70 H new ATOM 0 HE ARG B 96 19.874 15.406 3.001 1.00 5.76 H new ATOM 0 HH11 ARG B 96 19.928 18.940 2.955 1.00 6.49 H new ATOM 0 HH12 ARG B 96 19.081 19.095 4.497 1.00 6.49 H new ATOM 0 HH21 ARG B 96 18.583 15.620 4.901 1.00 5.86 H new ATOM 0 HH22 ARG B 96 18.322 17.223 5.596 1.00 5.86 H new ATOM 3237 N LYS B 97 16.453 17.903 2.146 1.00 5.74 N ATOM 3238 CA LYS B 97 15.543 18.950 2.598 1.00 5.90 C ATOM 3239 C LYS B 97 16.291 19.845 3.588 1.00 6.54 C ATOM 3240 O LYS B 97 17.074 19.340 4.399 1.00 6.77 O ATOM 3241 CB LYS B 97 14.249 18.410 3.240 1.00 5.45 C ATOM 3242 CG LYS B 97 14.467 17.627 4.546 1.00 4.89 C ATOM 3243 CD LYS B 97 13.147 17.174 5.191 1.00 5.14 C ATOM 3244 CE LYS B 97 12.181 18.314 5.566 1.00 5.98 C ATOM 3245 NZ LYS B 97 12.813 19.379 6.376 1.00 6.32 N ATOM 0 H LYS B 97 17.359 17.954 2.611 1.00 5.74 H new ATOM 0 HA LYS B 97 15.224 19.512 1.720 1.00 5.90 H new ATOM 0 HB2 LYS B 97 13.580 19.247 3.440 1.00 5.45 H new ATOM 0 HB3 LYS B 97 13.744 17.763 2.523 1.00 5.45 H new ATOM 0 HG2 LYS B 97 15.086 16.753 4.342 1.00 4.89 H new ATOM 0 HG3 LYS B 97 15.017 18.250 5.251 1.00 4.89 H new ATOM 0 HD2 LYS B 97 12.638 16.498 4.504 1.00 5.14 H new ATOM 0 HD3 LYS B 97 13.377 16.602 6.090 1.00 5.14 H new ATOM 0 HE2 LYS B 97 11.778 18.753 4.653 1.00 5.98 H new ATOM 0 HE3 LYS B 97 11.339 17.899 6.119 1.00 5.98 H new ATOM 0 HZ1 LYS B 97 12.089 20.061 6.679 1.00 6.32 H new ATOM 0 HZ2 LYS B 97 13.263 18.957 7.213 1.00 6.32 H new ATOM 0 HZ3 LYS B 97 13.532 19.868 5.806 1.00 6.32 H new ATOM 3259 N LYS B 98 16.102 21.160 3.484 1.00 7.23 N ATOM 3260 CA LYS B 98 16.386 22.058 4.591 1.00 7.75 C ATOM 3261 C LYS B 98 15.310 21.835 5.663 1.00 6.78 C ATOM 3262 O LYS B 98 14.264 21.239 5.317 1.00 6.15 O ATOM 3263 CB LYS B 98 16.431 23.502 4.063 1.00 9.10 C ATOM 3264 CG LYS B 98 16.848 24.525 5.130 1.00 9.77 C ATOM 3265 CD LYS B 98 15.632 25.240 5.737 1.00 9.78 C ATOM 3266 CE LYS B 98 16.074 26.124 6.912 1.00 10.14 C ATOM 3267 NZ LYS B 98 14.928 26.789 7.562 1.00 9.91 N ATOM 3268 OXT LYS B 98 15.546 22.230 6.823 1.00 7.08 O ATOM 0 H LYS B 98 15.754 21.622 2.644 1.00 7.23 H new ATOM 0 HA LYS B 98 17.357 21.861 5.046 1.00 7.75 H new ATOM 0 HB2 LYS B 98 17.128 23.554 3.227 1.00 9.10 H new ATOM 0 HB3 LYS B 98 15.448 23.771 3.676 1.00 9.10 H new ATOM 0 HG2 LYS B 98 17.405 24.021 5.920 1.00 9.77 H new ATOM 0 HG3 LYS B 98 17.519 25.261 4.686 1.00 9.77 H new ATOM 0 HD2 LYS B 98 15.142 25.849 4.978 1.00 9.78 H new ATOM 0 HD3 LYS B 98 14.901 24.506 6.078 1.00 9.78 H new ATOM 0 HE2 LYS B 98 16.604 25.516 7.645 1.00 10.14 H new ATOM 0 HE3 LYS B 98 16.776 26.877 6.555 1.00 10.14 H new ATOM 0 HZ1 LYS B 98 15.269 27.376 8.350 1.00 9.91 H new ATOM 0 HZ2 LYS B 98 14.437 27.390 6.870 1.00 9.91 H new ATOM 0 HZ3 LYS B 98 14.270 26.070 7.925 1.00 9.91 H new TER 3282 LYS B 98 HETATM 3283 CA CA A 197 -1.416 12.015 -14.643 1.00 0.89 CA HETATM 3284 CA CA A 198 1.046 16.263 -3.616 1.00 1.65 CA HETATM 3285 CA CA B 199 2.760 -11.148 15.053 1.00 1.46 CA HETATM 3286 CA CA B 200 5.575 0.744 16.034 1.00 1.09 CA