USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=39 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 Set 1.1: B 51 LYS NZ :NH3+ 168:sc= -0.0193 (180deg=-0.187) USER MOD Set 1.2: B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: B 85 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0134) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0.485 (180deg=0.386) USER MOD Single : A 7 THR OG1 : rot 174:sc= -0.116 USER MOD Single : A 12 SER OG : rot 59:sc= 1.03 USER MOD Single : A 15 THR OG1 : rot 65:sc= 0.941 USER MOD Single : A 18 THR OG1 : rot -121:sc= 0.416 USER MOD Single : A 19 THR OG1 : rot 75:sc= 1.24 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 32 SER OG : rot -9:sc= -0.0304 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0138 K(o=-0.014,f=-0.99) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 74:sc= 0.061 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= 0.369 (180deg=0.261) USER MOD Single : A 60 MET CE :methyl 173:sc= 0 (180deg=-0.0333) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00542 X(o=-0.0054,f=0) USER MOD Single : A 67 GLN : amide:sc= 0.0199 X(o=0.02,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.0154 (180deg=-0.583) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0236 (180deg=-0.204) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000109) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -176:sc= -0.0588 (180deg=-0.0909) USER MOD Single : B 7 THR OG1 : rot 101:sc= 0.868 USER MOD Single : B 12 SER OG : rot 65:sc= 0.601 USER MOD Single : B 15 THR OG1 : rot 80:sc= 1.23 USER MOD Single : B 18 THR OG1 : rot -69:sc= 0.179 USER MOD Single : B 19 THR OG1 : rot 109:sc= 1.19 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 SER OG : rot 170:sc= -0.224 USER MOD Single : B 34 SER OG : rot 180:sc= 0 USER MOD Single : B 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 79:sc= 0.155 USER MOD Single : B 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 48 HIS : no HD1:sc= -0.0698 X(o=-0.07,f=-0.54) USER MOD Single : B 55 SER OG : rot -0:sc= 0.223 USER MOD Single : B 59 LYS NZ :NH3+ 147:sc= 0.0383 (180deg=0) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -167:sc= 0.518 (180deg=0.344) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc=-0.00129 X(o=-0.0013,f=0) USER MOD Single : B 67 GLN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : B 69 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -178:sc= -0.017 (180deg=-0.0198) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : B 76 TYR OH : rot 180:sc= -0.321 USER MOD Single : B 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.708 16.950 7.009 1.00 1.04 N ATOM 2 CA MET A 1 7.829 15.968 6.821 1.00 0.91 C ATOM 3 C MET A 1 7.827 14.829 7.874 1.00 0.73 C ATOM 4 O MET A 1 8.602 13.876 7.737 1.00 0.96 O ATOM 5 CB MET A 1 9.195 16.704 6.835 1.00 1.31 C ATOM 6 CG MET A 1 9.608 17.268 8.203 1.00 1.57 C ATOM 7 SD MET A 1 11.139 18.222 8.155 1.00 2.18 S ATOM 8 CE MET A 1 11.397 18.513 9.907 1.00 2.71 C ATOM 0 H1 MET A 1 6.840 17.756 6.365 1.00 1.04 H new ATOM 0 H2 MET A 1 5.801 16.486 6.801 1.00 1.04 H new ATOM 0 H3 MET A 1 6.705 17.290 7.992 1.00 1.04 H new ATOM 0 HA MET A 1 7.671 15.498 5.850 1.00 0.91 H new ATOM 0 HB2 MET A 1 9.967 16.014 6.494 1.00 1.31 H new ATOM 0 HB3 MET A 1 9.158 17.523 6.116 1.00 1.31 H new ATOM 0 HG2 MET A 1 8.806 17.901 8.583 1.00 1.57 H new ATOM 0 HG3 MET A 1 9.724 16.444 8.907 1.00 1.57 H new ATOM 0 HE1 MET A 1 12.308 19.094 10.049 1.00 2.71 H new ATOM 0 HE2 MET A 1 10.549 19.064 10.313 1.00 2.71 H new ATOM 0 HE3 MET A 1 11.491 17.558 10.424 1.00 2.71 H new ATOM 20 N ALA A 2 6.964 14.924 8.914 1.00 0.77 N ATOM 21 CA ALA A 2 6.892 13.914 9.984 1.00 0.71 C ATOM 22 C ALA A 2 5.541 13.183 9.986 1.00 0.59 C ATOM 23 O ALA A 2 4.516 13.765 9.615 1.00 0.68 O ATOM 24 CB ALA A 2 7.144 14.584 11.334 1.00 1.02 C ATOM 0 H ALA A 2 6.307 15.696 9.030 1.00 0.77 H new ATOM 0 HA ALA A 2 7.662 13.164 9.801 1.00 0.71 H new ATOM 0 HB1 ALA A 2 7.091 13.837 12.126 1.00 1.02 H new ATOM 0 HB2 ALA A 2 8.133 15.043 11.334 1.00 1.02 H new ATOM 0 HB3 ALA A 2 6.388 15.350 11.507 1.00 1.02 H new ATOM 30 N ALA A 3 5.550 11.902 10.409 1.00 0.56 N ATOM 31 CA ALA A 3 4.336 11.074 10.471 1.00 0.54 C ATOM 32 C ALA A 3 3.795 11.003 11.915 1.00 0.55 C ATOM 33 O ALA A 3 4.362 10.304 12.765 1.00 0.70 O ATOM 34 CB ALA A 3 4.630 9.684 9.905 1.00 0.66 C ATOM 0 H ALA A 3 6.395 11.419 10.714 1.00 0.56 H new ATOM 0 HA ALA A 3 3.557 11.531 9.860 1.00 0.54 H new ATOM 0 HB1 ALA A 3 3.728 9.074 9.953 1.00 0.66 H new ATOM 0 HB2 ALA A 3 4.953 9.774 8.868 1.00 0.66 H new ATOM 0 HB3 ALA A 3 5.419 9.212 10.491 1.00 0.66 H new ATOM 40 N GLU A 4 2.693 11.739 12.178 1.00 0.52 N ATOM 41 CA GLU A 4 2.060 11.804 13.515 1.00 0.55 C ATOM 42 C GLU A 4 0.913 10.773 13.648 1.00 0.52 C ATOM 43 O GLU A 4 0.210 10.514 12.666 1.00 0.50 O ATOM 44 CB GLU A 4 1.522 13.235 13.762 1.00 0.61 C ATOM 45 CG GLU A 4 1.054 13.526 15.194 1.00 0.74 C ATOM 46 CD GLU A 4 0.611 14.967 15.388 1.00 0.86 C ATOM 47 OE1 GLU A 4 -0.569 15.270 15.109 1.00 0.94 O ATOM 48 OE2 GLU A 4 1.445 15.795 15.813 1.00 1.02 O ATOM 0 H GLU A 4 2.218 12.303 11.473 1.00 0.52 H new ATOM 0 HA GLU A 4 2.813 11.560 14.264 1.00 0.55 H new ATOM 0 HB2 GLU A 4 2.304 13.948 13.502 1.00 0.61 H new ATOM 0 HB3 GLU A 4 0.689 13.414 13.083 1.00 0.61 H new ATOM 0 HG2 GLU A 4 0.228 12.860 15.444 1.00 0.74 H new ATOM 0 HG3 GLU A 4 1.864 13.303 15.888 1.00 0.74 H new ATOM 55 N PRO A 5 0.718 10.150 14.862 1.00 0.57 N ATOM 56 CA PRO A 5 -0.376 9.176 15.101 1.00 0.59 C ATOM 57 C PRO A 5 -1.782 9.761 14.850 1.00 0.53 C ATOM 58 O PRO A 5 -2.097 10.856 15.330 1.00 0.59 O ATOM 59 CB PRO A 5 -0.211 8.806 16.587 1.00 0.74 C ATOM 60 CG PRO A 5 1.214 9.089 16.893 1.00 0.73 C ATOM 61 CD PRO A 5 1.571 10.293 16.073 1.00 0.67 C ATOM 0 HA PRO A 5 -0.305 8.329 14.418 1.00 0.59 H new ATOM 0 HB2 PRO A 5 -0.876 9.396 17.218 1.00 0.74 H new ATOM 0 HB3 PRO A 5 -0.453 7.758 16.763 1.00 0.74 H new ATOM 0 HG2 PRO A 5 1.356 9.283 17.956 1.00 0.73 H new ATOM 0 HG3 PRO A 5 1.846 8.239 16.637 1.00 0.73 H new ATOM 0 HD2 PRO A 5 1.359 11.220 16.606 1.00 0.67 H new ATOM 0 HD3 PRO A 5 2.631 10.306 15.819 1.00 0.67 H new ATOM 69 N LEU A 6 -2.611 9.025 14.082 1.00 0.58 N ATOM 70 CA LEU A 6 -3.990 9.439 13.759 1.00 0.67 C ATOM 71 C LEU A 6 -4.966 8.279 14.106 1.00 0.71 C ATOM 72 O LEU A 6 -4.710 7.550 15.072 1.00 1.19 O ATOM 73 CB LEU A 6 -4.066 9.865 12.267 1.00 0.84 C ATOM 74 CG LEU A 6 -3.201 11.080 11.863 1.00 0.91 C ATOM 75 CD1 LEU A 6 -3.091 11.183 10.339 1.00 1.14 C ATOM 76 CD2 LEU A 6 -3.762 12.379 12.458 1.00 1.03 C ATOM 0 H LEU A 6 -2.344 8.131 13.670 1.00 0.58 H new ATOM 0 HA LEU A 6 -4.286 10.303 14.354 1.00 0.67 H new ATOM 0 HB2 LEU A 6 -3.772 9.015 11.652 1.00 0.84 H new ATOM 0 HB3 LEU A 6 -5.105 10.088 12.026 1.00 0.84 H new ATOM 0 HG LEU A 6 -2.200 10.931 12.269 1.00 0.91 H new ATOM 0 HD11 LEU A 6 -2.478 12.045 10.076 1.00 1.14 H new ATOM 0 HD12 LEU A 6 -2.631 10.277 9.945 1.00 1.14 H new ATOM 0 HD13 LEU A 6 -4.086 11.301 9.910 1.00 1.14 H new ATOM 0 HD21 LEU A 6 -3.134 13.218 12.158 1.00 1.03 H new ATOM 0 HD22 LEU A 6 -4.777 12.537 12.094 1.00 1.03 H new ATOM 0 HD23 LEU A 6 -3.774 12.306 13.545 1.00 1.03 H new ATOM 88 N THR A 7 -6.081 8.098 13.346 1.00 0.52 N ATOM 89 CA THR A 7 -7.064 7.016 13.611 1.00 0.52 C ATOM 90 C THR A 7 -6.432 5.608 13.444 1.00 0.49 C ATOM 91 O THR A 7 -5.259 5.496 13.093 1.00 0.56 O ATOM 92 CB THR A 7 -8.322 7.136 12.698 1.00 0.58 C ATOM 93 OG1 THR A 7 -7.951 7.014 11.321 1.00 0.98 O ATOM 94 CG2 THR A 7 -9.054 8.462 12.910 1.00 0.94 C ATOM 0 H THR A 7 -6.319 8.687 12.548 1.00 0.52 H new ATOM 0 HA THR A 7 -7.376 7.137 14.648 1.00 0.52 H new ATOM 0 HB THR A 7 -8.998 6.326 12.971 1.00 0.58 H new ATOM 0 HG1 THR A 7 -8.758 6.997 10.765 1.00 0.98 H new ATOM 0 HG21 THR A 7 -9.924 8.506 12.255 1.00 0.94 H new ATOM 0 HG22 THR A 7 -9.377 8.537 13.948 1.00 0.94 H new ATOM 0 HG23 THR A 7 -8.383 9.289 12.678 1.00 0.94 H new ATOM 102 N GLU A 8 -7.227 4.538 13.696 1.00 0.51 N ATOM 103 CA GLU A 8 -6.750 3.133 13.602 1.00 0.50 C ATOM 104 C GLU A 8 -6.131 2.788 12.223 1.00 0.46 C ATOM 105 O GLU A 8 -5.064 2.170 12.173 1.00 0.48 O ATOM 106 CB GLU A 8 -7.900 2.154 13.934 1.00 0.55 C ATOM 107 CG GLU A 8 -7.441 0.740 14.296 1.00 0.91 C ATOM 108 CD GLU A 8 -8.597 -0.203 14.597 1.00 0.95 C ATOM 109 OE1 GLU A 8 -9.299 -0.605 13.645 1.00 1.14 O ATOM 110 OE2 GLU A 8 -8.800 -0.538 15.783 1.00 1.42 O ATOM 0 H GLU A 8 -8.207 4.622 13.967 1.00 0.51 H new ATOM 0 HA GLU A 8 -5.951 3.026 14.336 1.00 0.50 H new ATOM 0 HB2 GLU A 8 -8.478 2.559 14.765 1.00 0.55 H new ATOM 0 HB3 GLU A 8 -8.571 2.097 13.077 1.00 0.55 H new ATOM 0 HG2 GLU A 8 -6.853 0.333 13.473 1.00 0.91 H new ATOM 0 HG3 GLU A 8 -6.784 0.789 15.164 1.00 0.91 H new ATOM 117 N LEU A 9 -6.803 3.178 11.117 1.00 0.45 N ATOM 118 CA LEU A 9 -6.295 2.907 9.748 1.00 0.44 C ATOM 119 C LEU A 9 -5.209 3.915 9.344 1.00 0.42 C ATOM 120 O LEU A 9 -4.210 3.533 8.728 1.00 0.43 O ATOM 121 CB LEU A 9 -7.437 2.925 8.712 1.00 0.48 C ATOM 122 CG LEU A 9 -8.502 1.818 8.865 1.00 0.56 C ATOM 123 CD1 LEU A 9 -9.683 2.066 7.928 1.00 0.65 C ATOM 124 CD2 LEU A 9 -7.909 0.423 8.619 1.00 0.65 C ATOM 0 H LEU A 9 -7.692 3.678 11.142 1.00 0.45 H new ATOM 0 HA LEU A 9 -5.855 1.910 9.763 1.00 0.44 H new ATOM 0 HB2 LEU A 9 -7.936 3.893 8.766 1.00 0.48 H new ATOM 0 HB3 LEU A 9 -7.000 2.847 7.716 1.00 0.48 H new ATOM 0 HG LEU A 9 -8.859 1.852 9.894 1.00 0.56 H new ATOM 0 HD11 LEU A 9 -10.420 1.273 8.054 1.00 0.65 H new ATOM 0 HD12 LEU A 9 -10.140 3.027 8.165 1.00 0.65 H new ATOM 0 HD13 LEU A 9 -9.333 2.075 6.896 1.00 0.65 H new ATOM 0 HD21 LEU A 9 -8.689 -0.330 8.736 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -7.504 0.373 7.608 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -7.112 0.234 9.338 1.00 0.65 H new ATOM 136 N GLU A 10 -5.415 5.204 9.691 1.00 0.42 N ATOM 137 CA GLU A 10 -4.443 6.279 9.383 1.00 0.44 C ATOM 138 C GLU A 10 -3.118 6.091 10.164 1.00 0.44 C ATOM 139 O GLU A 10 -2.070 6.571 9.723 1.00 0.48 O ATOM 140 CB GLU A 10 -5.051 7.669 9.681 1.00 0.49 C ATOM 141 CG GLU A 10 -6.338 7.977 8.905 1.00 0.54 C ATOM 142 CD GLU A 10 -6.966 9.318 9.275 1.00 0.63 C ATOM 143 OE1 GLU A 10 -7.088 9.612 10.485 1.00 0.96 O ATOM 144 OE2 GLU A 10 -7.350 10.068 8.355 1.00 1.03 O ATOM 0 H GLU A 10 -6.247 5.527 10.185 1.00 0.42 H new ATOM 0 HA GLU A 10 -4.215 6.218 8.319 1.00 0.44 H new ATOM 0 HB2 GLU A 10 -5.259 7.740 10.749 1.00 0.49 H new ATOM 0 HB3 GLU A 10 -4.310 8.434 9.449 1.00 0.49 H new ATOM 0 HG2 GLU A 10 -6.120 7.969 7.837 1.00 0.54 H new ATOM 0 HG3 GLU A 10 -7.062 7.183 9.088 1.00 0.54 H new ATOM 151 N GLU A 11 -3.180 5.394 11.327 1.00 0.44 N ATOM 152 CA GLU A 11 -1.995 5.109 12.159 1.00 0.46 C ATOM 153 C GLU A 11 -1.261 3.840 11.664 1.00 0.45 C ATOM 154 O GLU A 11 -0.050 3.721 11.854 1.00 0.47 O ATOM 155 CB GLU A 11 -2.397 4.954 13.645 1.00 0.52 C ATOM 156 CG GLU A 11 -1.217 4.829 14.618 1.00 0.61 C ATOM 157 CD GLU A 11 -1.651 4.659 16.065 1.00 0.69 C ATOM 158 OE1 GLU A 11 -2.270 3.620 16.383 1.00 0.81 O ATOM 159 OE2 GLU A 11 -1.362 5.557 16.883 1.00 0.79 O ATOM 0 H GLU A 11 -4.049 5.018 11.708 1.00 0.44 H new ATOM 0 HA GLU A 11 -1.312 5.953 12.070 1.00 0.46 H new ATOM 0 HB2 GLU A 11 -3.001 5.814 13.936 1.00 0.52 H new ATOM 0 HB3 GLU A 11 -3.029 4.072 13.746 1.00 0.52 H new ATOM 0 HG2 GLU A 11 -0.603 3.977 14.327 1.00 0.61 H new ATOM 0 HG3 GLU A 11 -0.590 5.717 14.535 1.00 0.61 H new ATOM 166 N SER A 12 -2.000 2.889 11.034 1.00 0.45 N ATOM 167 CA SER A 12 -1.409 1.632 10.510 1.00 0.47 C ATOM 168 C SER A 12 -0.273 1.927 9.510 1.00 0.44 C ATOM 169 O SER A 12 0.846 1.431 9.679 1.00 0.49 O ATOM 170 CB SER A 12 -2.482 0.754 9.844 1.00 0.52 C ATOM 171 OG SER A 12 -3.485 0.378 10.773 1.00 0.63 O ATOM 0 H SER A 12 -3.005 2.970 10.878 1.00 0.45 H new ATOM 0 HA SER A 12 -0.991 1.089 11.358 1.00 0.47 H new ATOM 0 HB2 SER A 12 -2.936 1.296 9.014 1.00 0.52 H new ATOM 0 HB3 SER A 12 -2.017 -0.139 9.425 1.00 0.52 H new ATOM 0 HG SER A 12 -3.908 1.182 11.141 1.00 0.63 H new ATOM 177 N ILE A 13 -0.572 2.736 8.470 1.00 0.42 N ATOM 178 CA ILE A 13 0.439 3.130 7.458 1.00 0.43 C ATOM 179 C ILE A 13 1.485 4.108 8.050 1.00 0.41 C ATOM 180 O ILE A 13 2.598 4.211 7.525 1.00 0.46 O ATOM 181 CB ILE A 13 -0.192 3.725 6.141 1.00 0.47 C ATOM 182 CG1 ILE A 13 -1.219 4.870 6.409 1.00 0.46 C ATOM 183 CG2 ILE A 13 -0.841 2.609 5.313 1.00 0.56 C ATOM 184 CD1 ILE A 13 -0.614 6.253 6.566 1.00 0.44 C ATOM 0 H ILE A 13 -1.499 3.128 8.308 1.00 0.42 H new ATOM 0 HA ILE A 13 0.944 2.207 7.174 1.00 0.43 H new ATOM 0 HB ILE A 13 0.628 4.172 5.579 1.00 0.47 H new ATOM 0 HG12 ILE A 13 -1.935 4.895 5.587 1.00 0.46 H new ATOM 0 HG13 ILE A 13 -1.779 4.631 7.313 1.00 0.46 H new ATOM 0 HG21 ILE A 13 -1.273 3.033 4.406 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -0.087 1.870 5.044 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -1.625 2.130 5.899 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -1.407 6.978 6.749 1.00 0.44 H new ATOM 0 HD12 ILE A 13 0.079 6.254 7.407 1.00 0.44 H new ATOM 0 HD13 ILE A 13 -0.079 6.522 5.655 1.00 0.44 H new ATOM 196 N GLU A 14 1.118 4.825 9.142 1.00 0.39 N ATOM 197 CA GLU A 14 2.037 5.757 9.832 1.00 0.40 C ATOM 198 C GLU A 14 3.121 4.973 10.601 1.00 0.41 C ATOM 199 O GLU A 14 4.284 5.383 10.623 1.00 0.44 O ATOM 200 CB GLU A 14 1.246 6.687 10.791 1.00 0.43 C ATOM 201 CG GLU A 14 2.100 7.647 11.636 1.00 0.52 C ATOM 202 CD GLU A 14 2.497 7.075 12.991 1.00 0.61 C ATOM 203 OE1 GLU A 14 1.628 6.990 13.881 1.00 0.93 O ATOM 204 OE2 GLU A 14 3.677 6.702 13.158 1.00 1.00 O ATOM 0 H GLU A 14 0.190 4.773 9.562 1.00 0.39 H new ATOM 0 HA GLU A 14 2.530 6.378 9.084 1.00 0.40 H new ATOM 0 HB2 GLU A 14 0.544 7.276 10.201 1.00 0.43 H new ATOM 0 HB3 GLU A 14 0.654 6.067 11.464 1.00 0.43 H new ATOM 0 HG2 GLU A 14 3.002 7.903 11.080 1.00 0.52 H new ATOM 0 HG3 GLU A 14 1.547 8.573 11.790 1.00 0.52 H new ATOM 211 N THR A 15 2.727 3.836 11.224 1.00 0.42 N ATOM 212 CA THR A 15 3.658 2.983 11.993 1.00 0.45 C ATOM 213 C THR A 15 4.824 2.478 11.113 1.00 0.43 C ATOM 214 O THR A 15 5.954 2.380 11.590 1.00 0.45 O ATOM 215 CB THR A 15 2.922 1.770 12.641 1.00 0.50 C ATOM 216 OG1 THR A 15 1.753 2.225 13.337 1.00 0.65 O ATOM 217 CG2 THR A 15 3.816 1.013 13.629 1.00 0.77 C ATOM 0 H THR A 15 1.768 3.490 11.207 1.00 0.42 H new ATOM 0 HA THR A 15 4.068 3.605 12.788 1.00 0.45 H new ATOM 0 HB THR A 15 2.650 1.091 11.833 1.00 0.50 H new ATOM 0 HG1 THR A 15 1.115 2.601 12.695 1.00 0.65 H new ATOM 0 HG21 THR A 15 3.261 0.177 14.055 1.00 0.77 H new ATOM 0 HG22 THR A 15 4.696 0.636 13.108 1.00 0.77 H new ATOM 0 HG23 THR A 15 4.127 1.686 14.428 1.00 0.77 H new ATOM 225 N VAL A 16 4.537 2.176 9.825 1.00 0.41 N ATOM 226 CA VAL A 16 5.566 1.697 8.872 1.00 0.42 C ATOM 227 C VAL A 16 6.601 2.810 8.567 1.00 0.42 C ATOM 228 O VAL A 16 7.776 2.510 8.339 1.00 0.46 O ATOM 229 CB VAL A 16 4.930 1.174 7.536 1.00 0.44 C ATOM 230 CG1 VAL A 16 5.999 0.636 6.570 1.00 0.50 C ATOM 231 CG2 VAL A 16 3.864 0.100 7.811 1.00 0.49 C ATOM 0 H VAL A 16 3.603 2.255 9.422 1.00 0.41 H new ATOM 0 HA VAL A 16 6.076 0.861 9.350 1.00 0.42 H new ATOM 0 HB VAL A 16 4.445 2.025 7.057 1.00 0.44 H new ATOM 0 HG11 VAL A 16 5.520 0.283 5.657 1.00 0.50 H new ATOM 0 HG12 VAL A 16 6.703 1.432 6.326 1.00 0.50 H new ATOM 0 HG13 VAL A 16 6.533 -0.189 7.041 1.00 0.50 H new ATOM 0 HG21 VAL A 16 3.441 -0.243 6.867 1.00 0.49 H new ATOM 0 HG22 VAL A 16 4.321 -0.742 8.331 1.00 0.49 H new ATOM 0 HG23 VAL A 16 3.073 0.523 8.430 1.00 0.49 H new ATOM 241 N VAL A 17 6.154 4.086 8.565 1.00 0.42 N ATOM 242 CA VAL A 17 7.038 5.238 8.303 1.00 0.47 C ATOM 243 C VAL A 17 7.990 5.479 9.494 1.00 0.55 C ATOM 244 O VAL A 17 9.207 5.378 9.333 1.00 0.95 O ATOM 245 CB VAL A 17 6.213 6.539 7.989 1.00 0.51 C ATOM 246 CG1 VAL A 17 7.097 7.796 7.908 1.00 0.60 C ATOM 247 CG2 VAL A 17 5.405 6.365 6.697 1.00 0.52 C ATOM 0 H VAL A 17 5.183 4.342 8.743 1.00 0.42 H new ATOM 0 HA VAL A 17 7.634 5.000 7.422 1.00 0.47 H new ATOM 0 HB VAL A 17 5.527 6.688 8.823 1.00 0.51 H new ATOM 0 HG11 VAL A 17 6.476 8.664 7.689 1.00 0.60 H new ATOM 0 HG12 VAL A 17 7.606 7.945 8.860 1.00 0.60 H new ATOM 0 HG13 VAL A 17 7.837 7.670 7.117 1.00 0.60 H new ATOM 0 HG21 VAL A 17 4.840 7.275 6.496 1.00 0.52 H new ATOM 0 HG22 VAL A 17 6.084 6.168 5.867 1.00 0.52 H new ATOM 0 HG23 VAL A 17 4.716 5.528 6.809 1.00 0.52 H new ATOM 257 N THR A 18 7.425 5.762 10.689 1.00 0.47 N ATOM 258 CA THR A 18 8.221 6.042 11.908 1.00 0.51 C ATOM 259 C THR A 18 9.173 4.891 12.304 1.00 0.51 C ATOM 260 O THR A 18 10.251 5.151 12.847 1.00 0.60 O ATOM 261 CB THR A 18 7.317 6.378 13.128 1.00 0.56 C ATOM 262 OG1 THR A 18 6.362 5.328 13.347 1.00 0.57 O ATOM 263 CG2 THR A 18 6.584 7.703 12.932 1.00 0.62 C ATOM 0 H THR A 18 6.417 5.803 10.837 1.00 0.47 H new ATOM 0 HA THR A 18 8.827 6.909 11.644 1.00 0.51 H new ATOM 0 HB THR A 18 7.964 6.469 14.001 1.00 0.56 H new ATOM 0 HG1 THR A 18 5.455 5.693 13.287 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.961 7.907 13.803 1.00 0.62 H new ATOM 0 HG22 THR A 18 7.311 8.506 12.809 1.00 0.62 H new ATOM 0 HG23 THR A 18 5.956 7.643 12.043 1.00 0.62 H new ATOM 271 N THR A 19 8.774 3.629 12.033 1.00 0.49 N ATOM 272 CA THR A 19 9.596 2.450 12.374 1.00 0.53 C ATOM 273 C THR A 19 10.891 2.370 11.530 1.00 0.53 C ATOM 274 O THR A 19 11.951 2.053 12.077 1.00 0.62 O ATOM 275 CB THR A 19 8.774 1.128 12.235 1.00 0.55 C ATOM 276 OG1 THR A 19 7.671 1.155 13.151 1.00 0.56 O ATOM 277 CG2 THR A 19 9.609 -0.133 12.511 1.00 0.66 C ATOM 0 H THR A 19 7.889 3.402 11.580 1.00 0.49 H new ATOM 0 HA THR A 19 9.892 2.570 13.416 1.00 0.53 H new ATOM 0 HB THR A 19 8.432 1.077 11.201 1.00 0.55 H new ATOM 0 HG1 THR A 19 6.976 1.755 12.809 1.00 0.56 H new ATOM 0 HG21 THR A 19 8.981 -1.017 12.398 1.00 0.66 H new ATOM 0 HG22 THR A 19 10.437 -0.183 11.804 1.00 0.66 H new ATOM 0 HG23 THR A 19 10.002 -0.094 13.527 1.00 0.66 H new ATOM 285 N PHE A 20 10.804 2.664 10.213 1.00 0.53 N ATOM 286 CA PHE A 20 11.977 2.593 9.319 1.00 0.57 C ATOM 287 C PHE A 20 12.537 3.984 8.919 1.00 0.57 C ATOM 288 O PHE A 20 13.469 4.050 8.111 1.00 0.89 O ATOM 289 CB PHE A 20 11.635 1.755 8.063 1.00 0.64 C ATOM 290 CG PHE A 20 12.857 1.222 7.330 1.00 0.71 C ATOM 291 CD1 PHE A 20 13.613 0.181 7.866 1.00 0.83 C ATOM 292 CD2 PHE A 20 13.260 1.772 6.119 1.00 0.76 C ATOM 293 CE1 PHE A 20 14.734 -0.291 7.209 1.00 0.95 C ATOM 294 CE2 PHE A 20 14.383 1.303 5.464 1.00 0.86 C ATOM 295 CZ PHE A 20 15.120 0.271 6.009 1.00 0.93 C ATOM 0 H PHE A 20 9.941 2.950 9.751 1.00 0.53 H new ATOM 0 HA PHE A 20 12.772 2.104 9.882 1.00 0.57 H new ATOM 0 HB2 PHE A 20 11.005 0.916 8.358 1.00 0.64 H new ATOM 0 HB3 PHE A 20 11.050 2.367 7.377 1.00 0.64 H new ATOM 0 HD1 PHE A 20 13.319 -0.262 8.806 1.00 0.83 H new ATOM 0 HD2 PHE A 20 12.687 2.578 5.683 1.00 0.76 H new ATOM 0 HE1 PHE A 20 15.308 -1.100 7.635 1.00 0.95 H new ATOM 0 HE2 PHE A 20 14.684 1.744 4.525 1.00 0.86 H new ATOM 0 HZ PHE A 20 15.997 -0.096 5.497 1.00 0.93 H new ATOM 305 N PHE A 21 12.008 5.094 9.490 1.00 0.71 N ATOM 306 CA PHE A 21 12.523 6.446 9.157 1.00 0.73 C ATOM 307 C PHE A 21 13.919 6.671 9.778 1.00 0.66 C ATOM 308 O PHE A 21 14.697 7.474 9.260 1.00 0.67 O ATOM 309 CB PHE A 21 11.547 7.570 9.585 1.00 1.04 C ATOM 310 CG PHE A 21 11.588 8.783 8.669 1.00 1.67 C ATOM 311 CD1 PHE A 21 10.866 8.795 7.477 1.00 1.97 C ATOM 312 CD2 PHE A 21 12.353 9.901 8.988 1.00 2.34 C ATOM 313 CE1 PHE A 21 10.907 9.889 6.636 1.00 2.74 C ATOM 314 CE2 PHE A 21 12.395 10.995 8.145 1.00 3.02 C ATOM 315 CZ PHE A 21 11.671 10.990 6.970 1.00 3.17 C ATOM 0 H PHE A 21 11.245 5.083 10.166 1.00 0.71 H new ATOM 0 HA PHE A 21 12.611 6.493 8.072 1.00 0.73 H new ATOM 0 HB2 PHE A 21 10.532 7.172 9.605 1.00 1.04 H new ATOM 0 HB3 PHE A 21 11.787 7.883 10.601 1.00 1.04 H new ATOM 0 HD1 PHE A 21 10.267 7.938 7.208 1.00 1.97 H new ATOM 0 HD2 PHE A 21 12.921 9.914 9.906 1.00 2.34 H new ATOM 0 HE1 PHE A 21 10.341 9.884 5.716 1.00 2.74 H new ATOM 0 HE2 PHE A 21 12.995 11.855 8.406 1.00 3.02 H new ATOM 0 HZ PHE A 21 11.702 11.846 6.312 1.00 3.17 H new ATOM 325 N THR A 22 14.221 5.958 10.895 1.00 0.75 N ATOM 326 CA THR A 22 15.536 6.037 11.569 1.00 0.89 C ATOM 327 C THR A 22 16.647 5.438 10.676 1.00 0.82 C ATOM 328 O THR A 22 17.782 5.924 10.692 1.00 0.97 O ATOM 329 CB THR A 22 15.513 5.301 12.945 1.00 1.11 C ATOM 330 OG1 THR A 22 14.423 5.792 13.743 1.00 1.25 O ATOM 331 CG2 THR A 22 16.825 5.475 13.723 1.00 1.37 C ATOM 0 H THR A 22 13.565 5.320 11.346 1.00 0.75 H new ATOM 0 HA THR A 22 15.750 7.091 11.744 1.00 0.89 H new ATOM 0 HB THR A 22 15.386 4.238 12.738 1.00 1.11 H new ATOM 0 HG1 THR A 22 14.412 5.325 14.605 1.00 1.25 H new ATOM 0 HG21 THR A 22 16.758 4.944 14.673 1.00 1.37 H new ATOM 0 HG22 THR A 22 17.651 5.070 13.138 1.00 1.37 H new ATOM 0 HG23 THR A 22 16.999 6.535 13.911 1.00 1.37 H new ATOM 339 N PHE A 23 16.309 4.372 9.916 1.00 0.69 N ATOM 340 CA PHE A 23 17.256 3.713 8.995 1.00 0.76 C ATOM 341 C PHE A 23 17.268 4.427 7.626 1.00 0.69 C ATOM 342 O PHE A 23 18.328 4.563 7.010 1.00 0.82 O ATOM 343 CB PHE A 23 16.898 2.219 8.811 1.00 0.87 C ATOM 344 CG PHE A 23 17.224 1.349 10.014 1.00 1.04 C ATOM 345 CD1 PHE A 23 16.340 1.245 11.083 1.00 1.01 C ATOM 346 CD2 PHE A 23 18.425 0.642 10.077 1.00 1.34 C ATOM 347 CE1 PHE A 23 16.644 0.462 12.180 1.00 1.24 C ATOM 348 CE2 PHE A 23 18.728 -0.139 11.178 1.00 1.55 C ATOM 349 CZ PHE A 23 17.837 -0.230 12.228 1.00 1.49 C ATOM 0 H PHE A 23 15.381 3.949 9.925 1.00 0.69 H new ATOM 0 HA PHE A 23 18.251 3.778 9.434 1.00 0.76 H new ATOM 0 HB2 PHE A 23 15.833 2.136 8.594 1.00 0.87 H new ATOM 0 HB3 PHE A 23 17.431 1.833 7.942 1.00 0.87 H new ATOM 0 HD1 PHE A 23 15.404 1.783 11.055 1.00 1.01 H new ATOM 0 HD2 PHE A 23 19.126 0.705 9.258 1.00 1.34 H new ATOM 0 HE1 PHE A 23 15.947 0.391 13.002 1.00 1.24 H new ATOM 0 HE2 PHE A 23 19.663 -0.678 11.216 1.00 1.55 H new ATOM 0 HZ PHE A 23 18.073 -0.842 13.086 1.00 1.49 H new ATOM 359 N ALA A 24 16.079 4.889 7.167 1.00 0.59 N ATOM 360 CA ALA A 24 15.929 5.588 5.870 1.00 0.67 C ATOM 361 C ALA A 24 16.676 6.939 5.827 1.00 0.62 C ATOM 362 O ALA A 24 17.145 7.347 4.759 1.00 0.83 O ATOM 363 CB ALA A 24 14.451 5.798 5.547 1.00 0.82 C ATOM 0 H ALA A 24 15.204 4.788 7.682 1.00 0.59 H new ATOM 0 HA ALA A 24 16.383 4.947 5.115 1.00 0.67 H new ATOM 0 HB1 ALA A 24 14.357 6.313 4.591 1.00 0.82 H new ATOM 0 HB2 ALA A 24 13.950 4.832 5.489 1.00 0.82 H new ATOM 0 HB3 ALA A 24 13.989 6.400 6.330 1.00 0.82 H new ATOM 369 N ARG A 25 16.774 7.638 6.982 1.00 0.61 N ATOM 370 CA ARG A 25 17.480 8.944 7.056 1.00 0.65 C ATOM 371 C ARG A 25 19.023 8.790 7.100 1.00 0.69 C ATOM 372 O ARG A 25 19.744 9.770 6.879 1.00 0.88 O ATOM 373 CB ARG A 25 16.991 9.780 8.269 1.00 0.75 C ATOM 374 CG ARG A 25 17.294 9.192 9.654 1.00 0.78 C ATOM 375 CD ARG A 25 16.666 10.028 10.776 1.00 0.97 C ATOM 376 NE ARG A 25 17.055 9.566 12.123 1.00 1.09 N ATOM 377 CZ ARG A 25 16.385 9.842 13.267 1.00 1.32 C ATOM 378 NH1 ARG A 25 15.311 10.646 13.276 1.00 1.55 N ATOM 379 NH2 ARG A 25 16.811 9.320 14.416 1.00 1.47 N ATOM 0 H ARG A 25 16.378 7.326 7.869 1.00 0.61 H new ATOM 0 HA ARG A 25 17.233 9.475 6.137 1.00 0.65 H new ATOM 0 HB2 ARG A 25 17.443 10.770 8.209 1.00 0.75 H new ATOM 0 HB3 ARG A 25 15.913 9.916 8.181 1.00 0.75 H new ATOM 0 HG2 ARG A 25 16.916 8.171 9.706 1.00 0.78 H new ATOM 0 HG3 ARG A 25 18.373 9.140 9.799 1.00 0.78 H new ATOM 0 HD2 ARG A 25 16.962 11.070 10.655 1.00 0.97 H new ATOM 0 HD3 ARG A 25 15.580 9.993 10.685 1.00 0.97 H new ATOM 0 HE ARG A 25 17.896 8.993 12.198 1.00 1.09 H new ATOM 0 HH11 ARG A 25 14.981 11.066 12.407 1.00 1.55 H new ATOM 0 HH12 ARG A 25 14.825 10.837 14.152 1.00 1.55 H new ATOM 0 HH21 ARG A 25 17.635 8.719 14.429 1.00 1.47 H new ATOM 0 HH22 ARG A 25 16.313 9.522 15.283 1.00 1.47 H new ATOM 393 N GLN A 26 19.521 7.562 7.368 1.00 0.73 N ATOM 394 CA GLN A 26 20.973 7.281 7.458 1.00 0.84 C ATOM 395 C GLN A 26 21.714 7.535 6.123 1.00 0.78 C ATOM 396 O GLN A 26 22.853 8.009 6.132 1.00 0.89 O ATOM 397 CB GLN A 26 21.187 5.822 7.923 1.00 1.01 C ATOM 398 CG GLN A 26 22.587 5.514 8.453 1.00 1.22 C ATOM 399 CD GLN A 26 22.701 4.100 9.020 1.00 1.49 C ATOM 400 OE1 GLN A 26 23.042 3.163 8.300 1.00 1.63 O ATOM 401 NE2 GLN A 26 22.407 3.933 10.313 1.00 1.80 N ATOM 0 H GLN A 26 18.934 6.743 7.527 1.00 0.73 H new ATOM 0 HA GLN A 26 21.398 7.971 8.187 1.00 0.84 H new ATOM 0 HB2 GLN A 26 20.461 5.595 8.703 1.00 1.01 H new ATOM 0 HB3 GLN A 26 20.976 5.155 7.087 1.00 1.01 H new ATOM 0 HG2 GLN A 26 23.312 5.639 7.649 1.00 1.22 H new ATOM 0 HG3 GLN A 26 22.845 6.235 9.229 1.00 1.22 H new ATOM 0 HE21 GLN A 26 22.128 4.734 10.880 1.00 1.80 H new ATOM 0 HE22 GLN A 26 22.462 3.005 10.733 1.00 1.80 H new ATOM 410 N GLU A 27 21.061 7.213 4.985 1.00 0.70 N ATOM 411 CA GLU A 27 21.648 7.396 3.639 1.00 0.76 C ATOM 412 C GLU A 27 21.031 8.629 2.926 1.00 0.93 C ATOM 413 O GLU A 27 20.313 9.410 3.561 1.00 1.59 O ATOM 414 CB GLU A 27 21.448 6.096 2.818 1.00 0.92 C ATOM 415 CG GLU A 27 22.139 4.860 3.412 1.00 1.09 C ATOM 416 CD GLU A 27 23.651 4.873 3.252 1.00 1.27 C ATOM 417 OE1 GLU A 27 24.317 5.690 3.921 1.00 1.46 O ATOM 418 OE2 GLU A 27 24.168 4.059 2.459 1.00 1.52 O ATOM 0 H GLU A 27 20.119 6.822 4.973 1.00 0.70 H new ATOM 0 HA GLU A 27 22.717 7.590 3.731 1.00 0.76 H new ATOM 0 HB2 GLU A 27 20.380 5.895 2.733 1.00 0.92 H new ATOM 0 HB3 GLU A 27 21.824 6.257 1.808 1.00 0.92 H new ATOM 0 HG2 GLU A 27 21.895 4.792 4.472 1.00 1.09 H new ATOM 0 HG3 GLU A 27 21.739 3.966 2.934 1.00 1.09 H new ATOM 425 N GLY A 28 21.332 8.811 1.613 1.00 0.79 N ATOM 426 CA GLY A 28 20.815 9.946 0.832 1.00 0.92 C ATOM 427 C GLY A 28 19.294 10.144 0.910 1.00 0.73 C ATOM 428 O GLY A 28 18.535 9.180 0.767 1.00 0.72 O ATOM 0 H GLY A 28 21.932 8.180 1.081 1.00 0.79 H new ATOM 0 HA2 GLY A 28 21.304 10.858 1.176 1.00 0.92 H new ATOM 0 HA3 GLY A 28 21.096 9.808 -0.212 1.00 0.92 H new ATOM 432 N ARG A 29 18.867 11.414 1.125 1.00 0.72 N ATOM 433 CA ARG A 29 17.442 11.808 1.235 1.00 0.71 C ATOM 434 C ARG A 29 16.715 11.127 2.419 1.00 0.68 C ATOM 435 O ARG A 29 16.951 9.954 2.725 1.00 0.76 O ATOM 436 CB ARG A 29 16.679 11.600 -0.103 1.00 0.73 C ATOM 437 CG ARG A 29 16.569 12.878 -0.943 1.00 0.92 C ATOM 438 CD ARG A 29 16.027 12.623 -2.347 1.00 1.31 C ATOM 439 NE ARG A 29 16.179 13.799 -3.228 1.00 1.46 N ATOM 440 CZ ARG A 29 15.830 13.849 -4.535 1.00 1.91 C ATOM 441 NH1 ARG A 29 15.241 12.805 -5.136 1.00 2.60 N ATOM 442 NH2 ARG A 29 16.060 14.960 -5.241 1.00 2.05 N ATOM 0 H ARG A 29 19.509 12.200 1.228 1.00 0.72 H new ATOM 0 HA ARG A 29 17.441 12.876 1.451 1.00 0.71 H new ATOM 0 HB2 ARG A 29 17.186 10.832 -0.687 1.00 0.73 H new ATOM 0 HB3 ARG A 29 15.677 11.227 0.112 1.00 0.73 H new ATOM 0 HG2 ARG A 29 15.919 13.588 -0.432 1.00 0.92 H new ATOM 0 HG3 ARG A 29 17.552 13.343 -1.018 1.00 0.92 H new ATOM 0 HD2 ARG A 29 16.548 11.773 -2.787 1.00 1.31 H new ATOM 0 HD3 ARG A 29 14.973 12.353 -2.284 1.00 1.31 H new ATOM 0 HE ARG A 29 16.580 14.643 -2.818 1.00 1.46 H new ATOM 0 HH11 ARG A 29 15.049 11.954 -4.607 1.00 2.60 H new ATOM 0 HH12 ARG A 29 14.985 12.862 -6.122 1.00 2.60 H new ATOM 0 HH21 ARG A 29 16.497 15.766 -4.795 1.00 2.05 H new ATOM 0 HH22 ARG A 29 15.799 15.002 -6.226 1.00 2.05 H new ATOM 456 N LYS A 30 15.824 11.896 3.077 1.00 0.67 N ATOM 457 CA LYS A 30 15.047 11.414 4.238 1.00 0.67 C ATOM 458 C LYS A 30 13.805 10.613 3.803 1.00 0.66 C ATOM 459 O LYS A 30 13.431 9.640 4.464 1.00 0.72 O ATOM 460 CB LYS A 30 14.598 12.599 5.127 1.00 0.76 C ATOM 461 CG LYS A 30 15.727 13.505 5.624 1.00 0.82 C ATOM 462 CD LYS A 30 16.666 12.798 6.608 1.00 0.89 C ATOM 463 CE LYS A 30 17.725 13.748 7.171 1.00 1.00 C ATOM 464 NZ LYS A 30 18.685 14.209 6.124 1.00 1.22 N ATOM 0 H LYS A 30 15.623 12.863 2.821 1.00 0.67 H new ATOM 0 HA LYS A 30 15.704 10.756 4.806 1.00 0.67 H new ATOM 0 HB2 LYS A 30 13.888 13.205 4.565 1.00 0.76 H new ATOM 0 HB3 LYS A 30 14.065 12.203 5.991 1.00 0.76 H new ATOM 0 HG2 LYS A 30 16.304 13.861 4.770 1.00 0.82 H new ATOM 0 HG3 LYS A 30 15.297 14.383 6.106 1.00 0.82 H new ATOM 0 HD2 LYS A 30 16.083 12.378 7.428 1.00 0.89 H new ATOM 0 HD3 LYS A 30 17.157 11.964 6.106 1.00 0.89 H new ATOM 0 HE2 LYS A 30 17.234 14.613 7.617 1.00 1.00 H new ATOM 0 HE3 LYS A 30 18.273 13.246 7.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 19.413 14.809 6.561 1.00 1.22 H new ATOM 0 HZ2 LYS A 30 19.137 13.384 5.680 1.00 1.22 H new ATOM 0 HZ3 LYS A 30 18.174 14.755 5.401 1.00 1.22 H new ATOM 478 N ASP A 31 13.168 11.040 2.694 1.00 0.66 N ATOM 479 CA ASP A 31 11.956 10.386 2.163 1.00 0.71 C ATOM 480 C ASP A 31 12.252 9.069 1.408 1.00 0.64 C ATOM 481 O ASP A 31 11.332 8.266 1.210 1.00 0.89 O ATOM 482 CB ASP A 31 11.200 11.359 1.233 1.00 0.87 C ATOM 483 CG ASP A 31 10.606 12.548 1.978 1.00 1.03 C ATOM 484 OD1 ASP A 31 9.768 12.328 2.881 1.00 1.38 O ATOM 485 OD2 ASP A 31 10.985 13.698 1.666 1.00 1.43 O ATOM 0 H ASP A 31 13.477 11.842 2.145 1.00 0.66 H new ATOM 0 HA ASP A 31 11.340 10.125 3.024 1.00 0.71 H new ATOM 0 HB2 ASP A 31 11.881 11.722 0.464 1.00 0.87 H new ATOM 0 HB3 ASP A 31 10.401 10.820 0.723 1.00 0.87 H new ATOM 490 N SER A 32 13.522 8.835 1.006 1.00 0.65 N ATOM 491 CA SER A 32 13.899 7.625 0.250 1.00 0.58 C ATOM 492 C SER A 32 14.633 6.576 1.110 1.00 0.56 C ATOM 493 O SER A 32 15.425 6.923 1.991 1.00 0.63 O ATOM 494 CB SER A 32 14.776 8.024 -0.948 1.00 0.58 C ATOM 495 OG SER A 32 16.007 8.589 -0.521 1.00 1.09 O ATOM 0 H SER A 32 14.299 9.468 1.193 1.00 0.65 H new ATOM 0 HA SER A 32 12.974 7.158 -0.090 1.00 0.58 H new ATOM 0 HB2 SER A 32 14.971 7.148 -1.567 1.00 0.58 H new ATOM 0 HB3 SER A 32 14.241 8.741 -1.570 1.00 0.58 H new ATOM 0 HG SER A 32 15.980 8.740 0.447 1.00 1.09 H new ATOM 501 N LEU A 33 14.356 5.284 0.824 1.00 0.54 N ATOM 502 CA LEU A 33 14.983 4.140 1.516 1.00 0.54 C ATOM 503 C LEU A 33 16.195 3.654 0.698 1.00 0.52 C ATOM 504 O LEU A 33 16.183 3.749 -0.530 1.00 0.66 O ATOM 505 CB LEU A 33 13.976 2.970 1.682 1.00 0.55 C ATOM 506 CG LEU A 33 12.803 3.172 2.679 1.00 0.67 C ATOM 507 CD1 LEU A 33 11.839 4.276 2.229 1.00 0.76 C ATOM 508 CD2 LEU A 33 12.044 1.856 2.875 1.00 0.75 C ATOM 0 H LEU A 33 13.689 5.007 0.104 1.00 0.54 H new ATOM 0 HA LEU A 33 15.301 4.466 2.506 1.00 0.54 H new ATOM 0 HB2 LEU A 33 13.551 2.750 0.703 1.00 0.55 H new ATOM 0 HB3 LEU A 33 14.534 2.087 1.993 1.00 0.55 H new ATOM 0 HG LEU A 33 13.236 3.488 3.628 1.00 0.67 H new ATOM 0 HD11 LEU A 33 11.037 4.378 2.960 1.00 0.76 H new ATOM 0 HD12 LEU A 33 12.379 5.220 2.148 1.00 0.76 H new ATOM 0 HD13 LEU A 33 11.415 4.016 1.259 1.00 0.76 H new ATOM 0 HD21 LEU A 33 11.224 2.010 3.576 1.00 0.75 H new ATOM 0 HD22 LEU A 33 11.645 1.520 1.918 1.00 0.75 H new ATOM 0 HD23 LEU A 33 12.722 1.100 3.271 1.00 0.75 H new ATOM 520 N SER A 34 17.232 3.125 1.372 1.00 0.50 N ATOM 521 CA SER A 34 18.440 2.627 0.677 1.00 0.52 C ATOM 522 C SER A 34 18.217 1.205 0.128 1.00 0.47 C ATOM 523 O SER A 34 17.537 0.393 0.764 1.00 0.47 O ATOM 524 CB SER A 34 19.655 2.653 1.616 1.00 0.62 C ATOM 525 OG SER A 34 20.831 2.201 0.957 1.00 0.68 O ATOM 0 H SER A 34 17.262 3.030 2.387 1.00 0.50 H new ATOM 0 HA SER A 34 18.638 3.289 -0.166 1.00 0.52 H new ATOM 0 HB2 SER A 34 19.810 3.667 1.985 1.00 0.62 H new ATOM 0 HB3 SER A 34 19.459 2.024 2.485 1.00 0.62 H new ATOM 0 HG SER A 34 21.587 2.231 1.580 1.00 0.68 H new ATOM 531 N VAL A 35 18.801 0.913 -1.060 1.00 0.50 N ATOM 532 CA VAL A 35 18.669 -0.415 -1.711 1.00 0.49 C ATOM 533 C VAL A 35 19.340 -1.554 -0.887 1.00 0.45 C ATOM 534 O VAL A 35 18.969 -2.723 -1.041 1.00 0.46 O ATOM 535 CB VAL A 35 19.215 -0.387 -3.188 1.00 0.59 C ATOM 536 CG1 VAL A 35 20.743 -0.249 -3.253 1.00 0.63 C ATOM 537 CG2 VAL A 35 18.740 -1.607 -3.993 1.00 0.64 C ATOM 0 H VAL A 35 19.367 1.578 -1.587 1.00 0.50 H new ATOM 0 HA VAL A 35 17.603 -0.638 -1.747 1.00 0.49 H new ATOM 0 HB VAL A 35 18.795 0.507 -3.648 1.00 0.59 H new ATOM 0 HG11 VAL A 35 21.063 -0.235 -4.295 1.00 0.63 H new ATOM 0 HG12 VAL A 35 21.045 0.679 -2.768 1.00 0.63 H new ATOM 0 HG13 VAL A 35 21.207 -1.093 -2.742 1.00 0.63 H new ATOM 0 HG21 VAL A 35 19.137 -1.551 -5.006 1.00 0.64 H new ATOM 0 HG22 VAL A 35 19.095 -2.520 -3.514 1.00 0.64 H new ATOM 0 HG23 VAL A 35 17.651 -1.617 -4.030 1.00 0.64 H new ATOM 547 N ASN A 36 20.312 -1.203 -0.014 1.00 0.45 N ATOM 548 CA ASN A 36 21.017 -2.186 0.834 1.00 0.46 C ATOM 549 C ASN A 36 20.346 -2.326 2.225 1.00 0.44 C ATOM 550 O ASN A 36 20.325 -3.425 2.785 1.00 0.55 O ATOM 551 CB ASN A 36 22.506 -1.783 0.987 1.00 0.55 C ATOM 552 CG ASN A 36 23.420 -2.929 1.438 1.00 0.64 C ATOM 553 OD1 ASN A 36 23.132 -4.104 1.196 1.00 0.82 O ATOM 554 ND2 ASN A 36 24.541 -2.598 2.082 1.00 0.77 N ATOM 0 H ASN A 36 20.625 -0.242 0.120 1.00 0.45 H new ATOM 0 HA ASN A 36 20.958 -3.158 0.343 1.00 0.46 H new ATOM 0 HB2 ASN A 36 22.867 -1.398 0.033 1.00 0.55 H new ATOM 0 HB3 ASN A 36 22.579 -0.969 1.708 1.00 0.55 H new ATOM 0 HD21 ASN A 36 25.187 -3.326 2.389 1.00 0.77 H new ATOM 0 HD22 ASN A 36 24.752 -1.617 2.268 1.00 0.77 H new ATOM 561 N GLU A 37 19.797 -1.211 2.774 1.00 0.44 N ATOM 562 CA GLU A 37 19.136 -1.224 4.104 1.00 0.46 C ATOM 563 C GLU A 37 17.746 -1.884 4.067 1.00 0.41 C ATOM 564 O GLU A 37 17.386 -2.601 5.009 1.00 0.43 O ATOM 565 CB GLU A 37 19.007 0.203 4.683 1.00 0.55 C ATOM 566 CG GLU A 37 20.339 0.859 5.033 1.00 0.70 C ATOM 567 CD GLU A 37 20.169 2.193 5.741 1.00 0.83 C ATOM 568 OE1 GLU A 37 20.050 3.223 5.047 1.00 1.25 O ATOM 569 OE2 GLU A 37 20.149 2.204 6.991 1.00 1.54 O ATOM 0 H GLU A 37 19.799 -0.298 2.319 1.00 0.44 H new ATOM 0 HA GLU A 37 19.779 -1.821 4.751 1.00 0.46 H new ATOM 0 HB2 GLU A 37 18.485 0.830 3.961 1.00 0.55 H new ATOM 0 HB3 GLU A 37 18.387 0.165 5.579 1.00 0.55 H new ATOM 0 HG2 GLU A 37 20.915 0.186 5.669 1.00 0.70 H new ATOM 0 HG3 GLU A 37 20.917 1.008 4.121 1.00 0.70 H new ATOM 576 N PHE A 38 16.959 -1.638 2.994 1.00 0.40 N ATOM 577 CA PHE A 38 15.605 -2.222 2.869 1.00 0.39 C ATOM 578 C PHE A 38 15.673 -3.760 2.704 1.00 0.37 C ATOM 579 O PHE A 38 14.785 -4.473 3.180 1.00 0.40 O ATOM 580 CB PHE A 38 14.807 -1.544 1.713 1.00 0.43 C ATOM 581 CG PHE A 38 14.719 -2.338 0.420 1.00 0.41 C ATOM 582 CD1 PHE A 38 15.788 -2.381 -0.462 1.00 0.49 C ATOM 583 CD2 PHE A 38 13.572 -3.058 0.108 1.00 0.50 C ATOM 584 CE1 PHE A 38 15.718 -3.122 -1.623 1.00 0.61 C ATOM 585 CE2 PHE A 38 13.497 -3.795 -1.054 1.00 0.61 C ATOM 586 CZ PHE A 38 14.571 -3.828 -1.920 1.00 0.65 C ATOM 0 H PHE A 38 17.235 -1.046 2.211 1.00 0.40 H new ATOM 0 HA PHE A 38 15.063 -2.023 3.794 1.00 0.39 H new ATOM 0 HB2 PHE A 38 13.795 -1.343 2.064 1.00 0.43 H new ATOM 0 HB3 PHE A 38 15.267 -0.580 1.495 1.00 0.43 H new ATOM 0 HD1 PHE A 38 16.687 -1.827 -0.237 1.00 0.49 H new ATOM 0 HD2 PHE A 38 12.730 -3.040 0.784 1.00 0.50 H new ATOM 0 HE1 PHE A 38 16.560 -3.149 -2.299 1.00 0.61 H new ATOM 0 HE2 PHE A 38 12.598 -4.347 -1.287 1.00 0.61 H new ATOM 0 HZ PHE A 38 14.513 -4.407 -2.830 1.00 0.65 H new ATOM 596 N LYS A 39 16.739 -4.254 2.021 1.00 0.37 N ATOM 597 CA LYS A 39 16.945 -5.703 1.808 1.00 0.40 C ATOM 598 C LYS A 39 17.151 -6.433 3.153 1.00 0.38 C ATOM 599 O LYS A 39 16.699 -7.570 3.313 1.00 0.42 O ATOM 600 CB LYS A 39 18.150 -5.954 0.871 1.00 0.46 C ATOM 601 CG LYS A 39 18.236 -7.386 0.327 1.00 0.55 C ATOM 602 CD LYS A 39 19.440 -7.589 -0.598 1.00 0.64 C ATOM 603 CE LYS A 39 19.576 -9.040 -1.064 1.00 0.76 C ATOM 604 NZ LYS A 39 18.498 -9.443 -2.019 1.00 0.87 N ATOM 0 H LYS A 39 17.466 -3.667 1.611 1.00 0.37 H new ATOM 0 HA LYS A 39 16.049 -6.103 1.333 1.00 0.40 H new ATOM 0 HB2 LYS A 39 18.094 -5.261 0.031 1.00 0.46 H new ATOM 0 HB3 LYS A 39 19.069 -5.727 1.411 1.00 0.46 H new ATOM 0 HG2 LYS A 39 18.300 -8.085 1.161 1.00 0.55 H new ATOM 0 HG3 LYS A 39 17.321 -7.621 -0.216 1.00 0.55 H new ATOM 0 HD2 LYS A 39 19.342 -6.938 -1.467 1.00 0.64 H new ATOM 0 HD3 LYS A 39 20.350 -7.290 -0.077 1.00 0.64 H new ATOM 0 HE2 LYS A 39 20.547 -9.175 -1.541 1.00 0.76 H new ATOM 0 HE3 LYS A 39 19.552 -9.700 -0.197 1.00 0.76 H new ATOM 0 HZ1 LYS A 39 18.638 -10.434 -2.302 1.00 0.87 H new ATOM 0 HZ2 LYS A 39 17.571 -9.342 -1.559 1.00 0.87 H new ATOM 0 HZ3 LYS A 39 18.535 -8.834 -2.861 1.00 0.87 H new ATOM 618 N GLU A 40 17.833 -5.767 4.115 1.00 0.38 N ATOM 619 CA GLU A 40 18.069 -6.336 5.462 1.00 0.40 C ATOM 620 C GLU A 40 16.750 -6.422 6.260 1.00 0.40 C ATOM 621 O GLU A 40 16.579 -7.328 7.079 1.00 0.44 O ATOM 622 CB GLU A 40 19.109 -5.503 6.242 1.00 0.45 C ATOM 623 CG GLU A 40 20.507 -5.496 5.620 1.00 0.49 C ATOM 624 CD GLU A 40 21.480 -4.593 6.362 1.00 0.59 C ATOM 625 OE1 GLU A 40 21.537 -3.388 6.040 1.00 0.64 O ATOM 626 OE2 GLU A 40 22.186 -5.092 7.265 1.00 0.73 O ATOM 0 H GLU A 40 18.229 -4.836 3.983 1.00 0.38 H new ATOM 0 HA GLU A 40 18.464 -7.344 5.331 1.00 0.40 H new ATOM 0 HB2 GLU A 40 18.752 -4.476 6.316 1.00 0.45 H new ATOM 0 HB3 GLU A 40 19.179 -5.890 7.258 1.00 0.45 H new ATOM 0 HG2 GLU A 40 20.899 -6.513 5.609 1.00 0.49 H new ATOM 0 HG3 GLU A 40 20.436 -5.170 4.582 1.00 0.49 H new ATOM 633 N LEU A 41 15.820 -5.465 6.012 1.00 0.39 N ATOM 634 CA LEU A 41 14.495 -5.441 6.670 1.00 0.41 C ATOM 635 C LEU A 41 13.653 -6.674 6.265 1.00 0.40 C ATOM 636 O LEU A 41 12.832 -7.143 7.054 1.00 0.44 O ATOM 637 CB LEU A 41 13.734 -4.141 6.306 1.00 0.44 C ATOM 638 CG LEU A 41 12.541 -3.753 7.218 1.00 0.55 C ATOM 639 CD1 LEU A 41 13.017 -3.340 8.615 1.00 0.65 C ATOM 640 CD2 LEU A 41 11.708 -2.637 6.574 1.00 0.58 C ATOM 0 H LEU A 41 15.968 -4.697 5.357 1.00 0.39 H new ATOM 0 HA LEU A 41 14.655 -5.470 7.748 1.00 0.41 H new ATOM 0 HB2 LEU A 41 14.447 -3.317 6.310 1.00 0.44 H new ATOM 0 HB3 LEU A 41 13.364 -4.238 5.285 1.00 0.44 H new ATOM 0 HG LEU A 41 11.908 -4.633 7.331 1.00 0.55 H new ATOM 0 HD11 LEU A 41 12.156 -3.074 9.229 1.00 0.65 H new ATOM 0 HD12 LEU A 41 13.550 -4.170 9.078 1.00 0.65 H new ATOM 0 HD13 LEU A 41 13.683 -2.481 8.533 1.00 0.65 H new ATOM 0 HD21 LEU A 41 10.876 -2.379 7.230 1.00 0.58 H new ATOM 0 HD22 LEU A 41 12.334 -1.758 6.420 1.00 0.58 H new ATOM 0 HD23 LEU A 41 11.321 -2.979 5.614 1.00 0.58 H new ATOM 652 N VAL A 42 13.864 -7.181 5.025 1.00 0.36 N ATOM 653 CA VAL A 42 13.135 -8.357 4.505 1.00 0.37 C ATOM 654 C VAL A 42 13.685 -9.684 5.083 1.00 0.38 C ATOM 655 O VAL A 42 12.918 -10.632 5.274 1.00 0.41 O ATOM 656 CB VAL A 42 13.171 -8.400 2.933 1.00 0.40 C ATOM 657 CG1 VAL A 42 12.514 -9.669 2.372 1.00 0.45 C ATOM 658 CG2 VAL A 42 12.509 -7.151 2.336 1.00 0.41 C ATOM 0 H VAL A 42 14.537 -6.789 4.366 1.00 0.36 H new ATOM 0 HA VAL A 42 12.100 -8.252 4.831 1.00 0.37 H new ATOM 0 HB VAL A 42 14.221 -8.417 2.642 1.00 0.40 H new ATOM 0 HG11 VAL A 42 12.563 -9.653 1.283 1.00 0.45 H new ATOM 0 HG12 VAL A 42 13.040 -10.547 2.746 1.00 0.45 H new ATOM 0 HG13 VAL A 42 11.471 -9.709 2.688 1.00 0.45 H new ATOM 0 HG21 VAL A 42 12.546 -7.204 1.248 1.00 0.41 H new ATOM 0 HG22 VAL A 42 11.470 -7.099 2.661 1.00 0.41 H new ATOM 0 HG23 VAL A 42 13.040 -6.261 2.674 1.00 0.41 H new ATOM 668 N THR A 43 15.003 -9.746 5.362 1.00 0.39 N ATOM 669 CA THR A 43 15.645 -10.970 5.888 1.00 0.42 C ATOM 670 C THR A 43 15.867 -10.931 7.427 1.00 0.49 C ATOM 671 O THR A 43 16.618 -11.761 7.956 1.00 0.80 O ATOM 672 CB THR A 43 17.012 -11.223 5.162 1.00 0.45 C ATOM 673 OG1 THR A 43 16.959 -10.744 3.803 1.00 0.46 O ATOM 674 CG2 THR A 43 17.396 -12.708 5.153 1.00 0.50 C ATOM 0 H THR A 43 15.644 -8.963 5.232 1.00 0.39 H new ATOM 0 HA THR A 43 14.957 -11.790 5.685 1.00 0.42 H new ATOM 0 HB THR A 43 17.771 -10.676 5.722 1.00 0.45 H new ATOM 0 HG1 THR A 43 16.992 -9.765 3.800 1.00 0.46 H new ATOM 0 HG21 THR A 43 18.349 -12.834 4.640 1.00 0.50 H new ATOM 0 HG22 THR A 43 17.486 -13.067 6.178 1.00 0.50 H new ATOM 0 HG23 THR A 43 16.626 -13.280 4.634 1.00 0.50 H new ATOM 682 N GLN A 44 15.211 -9.990 8.155 1.00 0.41 N ATOM 683 CA GLN A 44 15.377 -9.882 9.624 1.00 0.44 C ATOM 684 C GLN A 44 14.057 -9.542 10.348 1.00 0.44 C ATOM 685 O GLN A 44 13.651 -10.276 11.254 1.00 0.50 O ATOM 686 CB GLN A 44 16.464 -8.836 9.976 1.00 0.48 C ATOM 687 CG GLN A 44 17.878 -9.224 9.529 1.00 0.65 C ATOM 688 CD GLN A 44 18.964 -8.257 10.006 1.00 0.77 C ATOM 689 OE1 GLN A 44 18.714 -7.063 10.185 1.00 1.02 O ATOM 690 NE2 GLN A 44 20.182 -8.763 10.211 1.00 1.10 N ATOM 0 H GLN A 44 14.571 -9.305 7.753 1.00 0.41 H new ATOM 0 HA GLN A 44 15.694 -10.864 9.976 1.00 0.44 H new ATOM 0 HB2 GLN A 44 16.198 -7.884 9.517 1.00 0.48 H new ATOM 0 HB3 GLN A 44 16.466 -8.680 11.055 1.00 0.48 H new ATOM 0 HG2 GLN A 44 18.105 -10.223 9.901 1.00 0.65 H new ATOM 0 HG3 GLN A 44 17.903 -9.276 8.441 1.00 0.65 H new ATOM 0 HE21 GLN A 44 20.355 -9.756 10.053 1.00 1.10 H new ATOM 0 HE22 GLN A 44 20.940 -8.157 10.525 1.00 1.10 H new ATOM 699 N GLN A 45 13.391 -8.433 9.952 1.00 0.41 N ATOM 700 CA GLN A 45 12.127 -7.998 10.593 1.00 0.43 C ATOM 701 C GLN A 45 10.878 -8.245 9.704 1.00 0.41 C ATOM 702 O GLN A 45 9.753 -7.970 10.140 1.00 0.45 O ATOM 703 CB GLN A 45 12.232 -6.502 10.985 1.00 0.47 C ATOM 704 CG GLN A 45 11.281 -6.076 12.109 1.00 0.59 C ATOM 705 CD GLN A 45 11.447 -4.614 12.532 1.00 0.64 C ATOM 706 OE1 GLN A 45 11.762 -3.748 11.712 1.00 0.65 O ATOM 707 NE2 GLN A 45 11.234 -4.326 13.820 1.00 0.84 N ATOM 0 H GLN A 45 13.705 -7.825 9.196 1.00 0.41 H new ATOM 0 HA GLN A 45 11.989 -8.607 11.486 1.00 0.43 H new ATOM 0 HB2 GLN A 45 13.256 -6.290 11.292 1.00 0.47 H new ATOM 0 HB3 GLN A 45 12.030 -5.893 10.104 1.00 0.47 H new ATOM 0 HG2 GLN A 45 10.253 -6.237 11.784 1.00 0.59 H new ATOM 0 HG3 GLN A 45 11.446 -6.717 12.975 1.00 0.59 H new ATOM 0 HE21 GLN A 45 10.975 -5.066 14.472 1.00 0.84 H new ATOM 0 HE22 GLN A 45 11.331 -3.366 14.151 1.00 0.84 H new ATOM 716 N LEU A 46 11.065 -8.774 8.470 1.00 0.40 N ATOM 717 CA LEU A 46 9.942 -9.045 7.552 1.00 0.40 C ATOM 718 C LEU A 46 10.174 -10.337 6.706 1.00 0.40 C ATOM 719 O LEU A 46 9.950 -10.322 5.490 1.00 0.42 O ATOM 720 CB LEU A 46 9.754 -7.804 6.637 1.00 0.41 C ATOM 721 CG LEU A 46 8.334 -7.555 6.080 1.00 0.40 C ATOM 722 CD1 LEU A 46 7.362 -7.165 7.196 1.00 0.59 C ATOM 723 CD2 LEU A 46 8.371 -6.474 4.995 1.00 0.67 C ATOM 0 H LEU A 46 11.980 -9.019 8.093 1.00 0.40 H new ATOM 0 HA LEU A 46 9.038 -9.223 8.135 1.00 0.40 H new ATOM 0 HB2 LEU A 46 10.058 -6.920 7.197 1.00 0.41 H new ATOM 0 HB3 LEU A 46 10.438 -7.898 5.793 1.00 0.41 H new ATOM 0 HG LEU A 46 7.976 -8.484 5.637 1.00 0.40 H new ATOM 0 HD11 LEU A 46 6.372 -6.996 6.773 1.00 0.59 H new ATOM 0 HD12 LEU A 46 7.311 -7.968 7.931 1.00 0.59 H new ATOM 0 HD13 LEU A 46 7.710 -6.252 7.679 1.00 0.59 H new ATOM 0 HD21 LEU A 46 7.364 -6.309 4.612 1.00 0.67 H new ATOM 0 HD22 LEU A 46 8.755 -5.546 5.419 1.00 0.67 H new ATOM 0 HD23 LEU A 46 9.021 -6.797 4.182 1.00 0.67 H new ATOM 735 N PRO A 47 10.609 -11.493 7.329 1.00 0.42 N ATOM 736 CA PRO A 47 10.855 -12.744 6.583 1.00 0.45 C ATOM 737 C PRO A 47 9.589 -13.598 6.337 1.00 0.47 C ATOM 738 O PRO A 47 9.429 -14.156 5.248 1.00 0.52 O ATOM 739 CB PRO A 47 11.851 -13.478 7.482 1.00 0.49 C ATOM 740 CG PRO A 47 11.494 -13.067 8.872 1.00 0.49 C ATOM 741 CD PRO A 47 10.900 -11.679 8.781 1.00 0.46 C ATOM 0 HA PRO A 47 11.216 -12.544 5.574 1.00 0.45 H new ATOM 0 HB2 PRO A 47 11.773 -14.558 7.358 1.00 0.49 H new ATOM 0 HB3 PRO A 47 12.878 -13.203 7.241 1.00 0.49 H new ATOM 0 HG2 PRO A 47 10.780 -13.765 9.310 1.00 0.49 H new ATOM 0 HG3 PRO A 47 12.375 -13.069 9.514 1.00 0.49 H new ATOM 0 HD2 PRO A 47 9.994 -11.594 9.382 1.00 0.46 H new ATOM 0 HD3 PRO A 47 11.596 -10.924 9.146 1.00 0.46 H new ATOM 749 N HIS A 48 8.692 -13.700 7.348 1.00 0.47 N ATOM 750 CA HIS A 48 7.445 -14.493 7.229 1.00 0.52 C ATOM 751 C HIS A 48 6.481 -13.910 6.176 1.00 0.50 C ATOM 752 O HIS A 48 5.671 -14.648 5.606 1.00 0.57 O ATOM 753 CB HIS A 48 6.739 -14.600 8.596 1.00 0.57 C ATOM 754 CG HIS A 48 7.465 -15.476 9.577 1.00 0.65 C ATOM 755 ND1 HIS A 48 8.347 -14.990 10.520 1.00 0.69 N ATOM 756 CD2 HIS A 48 7.451 -16.821 9.737 1.00 0.79 C ATOM 757 CE1 HIS A 48 8.847 -15.999 11.210 1.00 0.80 C ATOM 758 NE2 HIS A 48 8.319 -17.119 10.756 1.00 0.85 N ATOM 0 H HIS A 48 8.809 -13.244 8.253 1.00 0.47 H new ATOM 0 HA HIS A 48 7.731 -15.490 6.894 1.00 0.52 H new ATOM 0 HB2 HIS A 48 6.633 -13.602 9.021 1.00 0.57 H new ATOM 0 HB3 HIS A 48 5.733 -14.991 8.447 1.00 0.57 H new ATOM 0 HD2 HIS A 48 6.865 -17.527 9.168 1.00 0.79 H new ATOM 0 HE1 HIS A 48 9.567 -15.920 12.011 1.00 0.80 H new ATOM 0 HE2 HIS A 48 8.523 -18.055 11.106 1.00 0.85 H new ATOM 767 N LEU A 49 6.584 -12.588 5.917 1.00 0.46 N ATOM 768 CA LEU A 49 5.735 -11.904 4.927 1.00 0.46 C ATOM 769 C LEU A 49 6.114 -12.314 3.493 1.00 0.45 C ATOM 770 O LEU A 49 5.260 -12.788 2.738 1.00 0.53 O ATOM 771 CB LEU A 49 5.856 -10.373 5.089 1.00 0.47 C ATOM 772 CG LEU A 49 4.753 -9.536 4.406 1.00 0.50 C ATOM 773 CD1 LEU A 49 3.484 -9.510 5.259 1.00 0.87 C ATOM 774 CD2 LEU A 49 5.251 -8.119 4.108 1.00 0.53 C ATOM 0 H LEU A 49 7.251 -11.974 6.384 1.00 0.46 H new ATOM 0 HA LEU A 49 4.702 -12.203 5.104 1.00 0.46 H new ATOM 0 HB2 LEU A 49 5.857 -10.138 6.153 1.00 0.47 H new ATOM 0 HB3 LEU A 49 6.822 -10.060 4.692 1.00 0.47 H new ATOM 0 HG LEU A 49 4.505 -10.008 3.455 1.00 0.50 H new ATOM 0 HD11 LEU A 49 2.721 -8.915 4.758 1.00 0.87 H new ATOM 0 HD12 LEU A 49 3.118 -10.527 5.397 1.00 0.87 H new ATOM 0 HD13 LEU A 49 3.708 -9.070 6.231 1.00 0.87 H new ATOM 0 HD21 LEU A 49 4.457 -7.548 3.627 1.00 0.53 H new ATOM 0 HD22 LEU A 49 5.536 -7.630 5.040 1.00 0.53 H new ATOM 0 HD23 LEU A 49 6.115 -8.169 3.445 1.00 0.53 H new ATOM 786 N LEU A 50 7.402 -12.124 3.138 1.00 0.43 N ATOM 787 CA LEU A 50 7.919 -12.460 1.804 1.00 0.45 C ATOM 788 C LEU A 50 8.612 -13.830 1.832 1.00 0.48 C ATOM 789 O LEU A 50 9.719 -13.962 2.368 1.00 0.54 O ATOM 790 CB LEU A 50 8.900 -11.366 1.318 1.00 0.48 C ATOM 791 CG LEU A 50 8.290 -9.961 1.096 1.00 0.57 C ATOM 792 CD1 LEU A 50 9.384 -8.927 0.833 1.00 0.66 C ATOM 793 CD2 LEU A 50 7.274 -9.971 -0.052 1.00 0.73 C ATOM 0 H LEU A 50 8.105 -11.736 3.767 1.00 0.43 H new ATOM 0 HA LEU A 50 7.083 -12.509 1.106 1.00 0.45 H new ATOM 0 HB2 LEU A 50 9.707 -11.280 2.046 1.00 0.48 H new ATOM 0 HB3 LEU A 50 9.349 -11.698 0.382 1.00 0.48 H new ATOM 0 HG LEU A 50 7.765 -9.682 2.009 1.00 0.57 H new ATOM 0 HD11 LEU A 50 8.930 -7.948 0.680 1.00 0.66 H new ATOM 0 HD12 LEU A 50 10.058 -8.885 1.689 1.00 0.66 H new ATOM 0 HD13 LEU A 50 9.945 -9.210 -0.058 1.00 0.66 H new ATOM 0 HD21 LEU A 50 6.863 -8.970 -0.183 1.00 0.73 H new ATOM 0 HD22 LEU A 50 7.768 -10.284 -0.972 1.00 0.73 H new ATOM 0 HD23 LEU A 50 6.468 -10.666 0.182 1.00 0.73 H new ATOM 805 N LYS A 51 7.938 -14.849 1.255 1.00 0.55 N ATOM 806 CA LYS A 51 8.459 -16.238 1.192 1.00 0.66 C ATOM 807 C LYS A 51 9.890 -16.321 0.610 1.00 0.63 C ATOM 808 O LYS A 51 10.694 -17.137 1.070 1.00 0.76 O ATOM 809 CB LYS A 51 7.507 -17.142 0.371 1.00 0.78 C ATOM 810 CG LYS A 51 7.289 -16.688 -1.080 1.00 0.78 C ATOM 811 CD LYS A 51 6.224 -17.516 -1.801 1.00 1.18 C ATOM 812 CE LYS A 51 5.861 -16.925 -3.165 1.00 1.16 C ATOM 813 NZ LYS A 51 6.960 -17.063 -4.169 1.00 1.32 N ATOM 0 H LYS A 51 7.022 -14.736 0.821 1.00 0.55 H new ATOM 0 HA LYS A 51 8.508 -16.593 2.221 1.00 0.66 H new ATOM 0 HB2 LYS A 51 7.906 -18.156 0.365 1.00 0.78 H new ATOM 0 HB3 LYS A 51 6.541 -17.182 0.874 1.00 0.78 H new ATOM 0 HG2 LYS A 51 6.995 -15.638 -1.088 1.00 0.78 H new ATOM 0 HG3 LYS A 51 8.230 -16.760 -1.625 1.00 0.78 H new ATOM 0 HD2 LYS A 51 6.586 -18.536 -1.933 1.00 1.18 H new ATOM 0 HD3 LYS A 51 5.329 -17.573 -1.181 1.00 1.18 H new ATOM 0 HE2 LYS A 51 4.966 -17.419 -3.543 1.00 1.16 H new ATOM 0 HE3 LYS A 51 5.616 -15.870 -3.045 1.00 1.16 H new ATOM 0 HZ1 LYS A 51 6.659 -16.646 -5.073 1.00 1.32 H new ATOM 0 HZ2 LYS A 51 7.808 -16.569 -3.825 1.00 1.32 H new ATOM 0 HZ3 LYS A 51 7.179 -18.070 -4.308 1.00 1.32 H new ATOM 827 N ASP A 52 10.189 -15.471 -0.399 1.00 0.64 N ATOM 828 CA ASP A 52 11.509 -15.446 -1.048 1.00 0.71 C ATOM 829 C ASP A 52 12.340 -14.257 -0.528 1.00 0.59 C ATOM 830 O ASP A 52 12.211 -13.131 -1.022 1.00 0.73 O ATOM 831 CB ASP A 52 11.348 -15.383 -2.588 1.00 0.99 C ATOM 832 CG ASP A 52 12.476 -16.077 -3.343 1.00 1.46 C ATOM 833 OD1 ASP A 52 13.648 -15.938 -2.933 1.00 2.08 O ATOM 834 OD2 ASP A 52 12.182 -16.758 -4.348 1.00 2.02 O ATOM 0 H ASP A 52 9.528 -14.793 -0.778 1.00 0.64 H new ATOM 0 HA ASP A 52 12.042 -16.364 -0.800 1.00 0.71 H new ATOM 0 HB2 ASP A 52 10.399 -15.841 -2.866 1.00 0.99 H new ATOM 0 HB3 ASP A 52 11.301 -14.339 -2.899 1.00 0.99 H new ATOM 839 N VAL A 53 13.178 -14.516 0.494 1.00 0.51 N ATOM 840 CA VAL A 53 14.042 -13.474 1.093 1.00 0.52 C ATOM 841 C VAL A 53 15.378 -13.313 0.328 1.00 0.56 C ATOM 842 O VAL A 53 15.972 -12.227 0.353 1.00 0.71 O ATOM 843 CB VAL A 53 14.325 -13.723 2.616 1.00 0.59 C ATOM 844 CG1 VAL A 53 13.051 -13.555 3.450 1.00 0.65 C ATOM 845 CG2 VAL A 53 14.965 -15.098 2.879 1.00 0.64 C ATOM 0 H VAL A 53 13.277 -15.436 0.923 1.00 0.51 H new ATOM 0 HA VAL A 53 13.479 -12.545 1.005 1.00 0.52 H new ATOM 0 HB VAL A 53 15.047 -12.967 2.925 1.00 0.59 H new ATOM 0 HG11 VAL A 53 13.278 -13.734 4.501 1.00 0.65 H new ATOM 0 HG12 VAL A 53 12.668 -12.542 3.329 1.00 0.65 H new ATOM 0 HG13 VAL A 53 12.300 -14.270 3.115 1.00 0.65 H new ATOM 0 HG21 VAL A 53 15.140 -15.219 3.948 1.00 0.64 H new ATOM 0 HG22 VAL A 53 14.295 -15.884 2.529 1.00 0.64 H new ATOM 0 HG23 VAL A 53 15.913 -15.166 2.346 1.00 0.64 H new ATOM 855 N GLY A 54 15.844 -14.390 -0.350 1.00 0.53 N ATOM 856 CA GLY A 54 17.095 -14.343 -1.110 1.00 0.64 C ATOM 857 C GLY A 54 16.924 -13.720 -2.493 1.00 0.61 C ATOM 858 O GLY A 54 17.616 -12.749 -2.816 1.00 0.83 O ATOM 0 H GLY A 54 15.368 -15.292 -0.380 1.00 0.53 H new ATOM 0 HA2 GLY A 54 17.835 -13.772 -0.548 1.00 0.64 H new ATOM 0 HA3 GLY A 54 17.487 -15.354 -1.218 1.00 0.64 H new ATOM 862 N SER A 55 16.005 -14.278 -3.313 1.00 0.57 N ATOM 863 CA SER A 55 15.746 -13.763 -4.670 1.00 0.58 C ATOM 864 C SER A 55 14.764 -12.577 -4.623 1.00 0.51 C ATOM 865 O SER A 55 13.571 -12.720 -4.925 1.00 0.62 O ATOM 866 CB SER A 55 15.216 -14.873 -5.596 1.00 0.74 C ATOM 867 OG SER A 55 15.085 -14.413 -6.934 1.00 0.85 O ATOM 0 H SER A 55 15.433 -15.083 -3.056 1.00 0.57 H new ATOM 0 HA SER A 55 16.692 -13.410 -5.080 1.00 0.58 H new ATOM 0 HB2 SER A 55 15.893 -15.727 -5.568 1.00 0.74 H new ATOM 0 HB3 SER A 55 14.249 -15.221 -5.233 1.00 0.74 H new ATOM 0 HG SER A 55 14.748 -15.140 -7.498 1.00 0.85 H new ATOM 873 N LEU A 56 15.286 -11.413 -4.206 1.00 0.49 N ATOM 874 CA LEU A 56 14.505 -10.166 -4.122 1.00 0.53 C ATOM 875 C LEU A 56 14.722 -9.298 -5.385 1.00 0.58 C ATOM 876 O LEU A 56 14.056 -8.275 -5.545 1.00 1.03 O ATOM 877 CB LEU A 56 14.906 -9.385 -2.833 1.00 0.67 C ATOM 878 CG LEU A 56 13.765 -8.720 -2.013 1.00 0.83 C ATOM 879 CD1 LEU A 56 13.045 -7.629 -2.811 1.00 1.22 C ATOM 880 CD2 LEU A 56 12.769 -9.767 -1.493 1.00 1.21 C ATOM 0 H LEU A 56 16.259 -11.308 -3.918 1.00 0.49 H new ATOM 0 HA LEU A 56 13.445 -10.412 -4.069 1.00 0.53 H new ATOM 0 HB2 LEU A 56 15.437 -10.073 -2.175 1.00 0.67 H new ATOM 0 HB3 LEU A 56 15.613 -8.606 -3.118 1.00 0.67 H new ATOM 0 HG LEU A 56 14.231 -8.239 -1.153 1.00 0.83 H new ATOM 0 HD11 LEU A 56 12.256 -7.192 -2.199 1.00 1.22 H new ATOM 0 HD12 LEU A 56 13.758 -6.854 -3.092 1.00 1.22 H new ATOM 0 HD13 LEU A 56 12.608 -8.064 -3.710 1.00 1.22 H new ATOM 0 HD21 LEU A 56 11.983 -9.270 -0.924 1.00 1.21 H new ATOM 0 HD22 LEU A 56 12.326 -10.298 -2.336 1.00 1.21 H new ATOM 0 HD23 LEU A 56 13.290 -10.477 -0.850 1.00 1.21 H new ATOM 892 N ASP A 57 15.648 -9.721 -6.289 1.00 0.49 N ATOM 893 CA ASP A 57 15.957 -8.982 -7.536 1.00 0.53 C ATOM 894 C ASP A 57 14.729 -8.788 -8.455 1.00 0.47 C ATOM 895 O ASP A 57 14.642 -7.764 -9.136 1.00 0.50 O ATOM 896 CB ASP A 57 17.104 -9.661 -8.319 1.00 0.67 C ATOM 897 CG ASP A 57 16.839 -11.126 -8.662 1.00 0.70 C ATOM 898 OD1 ASP A 57 16.153 -11.387 -9.676 1.00 0.77 O ATOM 899 OD2 ASP A 57 17.324 -12.008 -7.922 1.00 0.77 O ATOM 0 H ASP A 57 16.194 -10.575 -6.172 1.00 0.49 H new ATOM 0 HA ASP A 57 16.276 -7.989 -7.219 1.00 0.53 H new ATOM 0 HB2 ASP A 57 17.277 -9.108 -9.242 1.00 0.67 H new ATOM 0 HB3 ASP A 57 18.020 -9.596 -7.731 1.00 0.67 H new ATOM 904 N GLU A 58 13.789 -9.767 -8.475 1.00 0.46 N ATOM 905 CA GLU A 58 12.569 -9.670 -9.315 1.00 0.51 C ATOM 906 C GLU A 58 11.765 -8.392 -8.990 1.00 0.47 C ATOM 907 O GLU A 58 11.254 -7.737 -9.903 1.00 0.56 O ATOM 908 CB GLU A 58 11.675 -10.928 -9.155 1.00 0.60 C ATOM 909 CG GLU A 58 10.651 -11.110 -10.276 1.00 0.79 C ATOM 910 CD GLU A 58 9.788 -12.348 -10.102 1.00 0.92 C ATOM 911 OE1 GLU A 58 10.237 -13.447 -10.490 1.00 1.09 O ATOM 912 OE2 GLU A 58 8.660 -12.218 -9.579 1.00 1.02 O ATOM 0 H GLU A 58 13.851 -10.624 -7.925 1.00 0.46 H new ATOM 0 HA GLU A 58 12.894 -9.613 -10.354 1.00 0.51 H new ATOM 0 HB2 GLU A 58 12.313 -11.811 -9.112 1.00 0.60 H new ATOM 0 HB3 GLU A 58 11.149 -10.868 -8.202 1.00 0.60 H new ATOM 0 HG2 GLU A 58 10.009 -10.230 -10.319 1.00 0.79 H new ATOM 0 HG3 GLU A 58 11.174 -11.170 -11.231 1.00 0.79 H new ATOM 919 N LYS A 59 11.665 -8.051 -7.687 1.00 0.42 N ATOM 920 CA LYS A 59 10.955 -6.839 -7.236 1.00 0.47 C ATOM 921 C LYS A 59 11.927 -5.652 -7.086 1.00 0.53 C ATOM 922 O LYS A 59 11.504 -4.502 -7.196 1.00 0.91 O ATOM 923 CB LYS A 59 10.207 -7.096 -5.906 1.00 0.52 C ATOM 924 CG LYS A 59 8.859 -7.806 -6.068 1.00 0.60 C ATOM 925 CD LYS A 59 9.007 -9.305 -6.342 1.00 0.81 C ATOM 926 CE LYS A 59 7.651 -9.994 -6.497 1.00 1.17 C ATOM 927 NZ LYS A 59 7.788 -11.464 -6.700 1.00 1.55 N ATOM 0 H LYS A 59 12.069 -8.601 -6.929 1.00 0.42 H new ATOM 0 HA LYS A 59 10.219 -6.584 -7.999 1.00 0.47 H new ATOM 0 HB2 LYS A 59 10.844 -7.694 -5.254 1.00 0.52 H new ATOM 0 HB3 LYS A 59 10.044 -6.142 -5.404 1.00 0.52 H new ATOM 0 HG2 LYS A 59 8.267 -7.663 -5.164 1.00 0.60 H new ATOM 0 HG3 LYS A 59 8.307 -7.345 -6.886 1.00 0.60 H new ATOM 0 HD2 LYS A 59 9.594 -9.452 -7.248 1.00 0.81 H new ATOM 0 HD3 LYS A 59 9.559 -9.770 -5.525 1.00 0.81 H new ATOM 0 HE2 LYS A 59 7.046 -9.806 -5.610 1.00 1.17 H new ATOM 0 HE3 LYS A 59 7.119 -9.560 -7.344 1.00 1.17 H new ATOM 0 HZ1 LYS A 59 6.875 -11.927 -6.514 1.00 1.55 H new ATOM 0 HZ2 LYS A 59 8.079 -11.653 -7.680 1.00 1.55 H new ATOM 0 HZ3 LYS A 59 8.505 -11.839 -6.047 1.00 1.55 H new ATOM 941 N MET A 60 13.230 -5.935 -6.837 1.00 0.39 N ATOM 942 CA MET A 60 14.261 -4.884 -6.684 1.00 0.41 C ATOM 943 C MET A 60 14.520 -4.146 -8.013 1.00 0.42 C ATOM 944 O MET A 60 14.734 -2.930 -8.010 1.00 0.46 O ATOM 945 CB MET A 60 15.569 -5.485 -6.131 1.00 0.45 C ATOM 946 CG MET A 60 16.530 -4.465 -5.514 1.00 0.53 C ATOM 947 SD MET A 60 18.040 -5.214 -4.849 1.00 0.66 S ATOM 948 CE MET A 60 18.928 -5.639 -6.349 1.00 0.84 C ATOM 0 H MET A 60 13.590 -6.884 -6.738 1.00 0.39 H new ATOM 0 HA MET A 60 13.884 -4.152 -5.969 1.00 0.41 H new ATOM 0 HB2 MET A 60 15.320 -6.232 -5.377 1.00 0.45 H new ATOM 0 HB3 MET A 60 16.083 -6.007 -6.938 1.00 0.45 H new ATOM 0 HG2 MET A 60 16.801 -3.728 -6.270 1.00 0.53 H new ATOM 0 HG3 MET A 60 16.017 -3.929 -4.716 1.00 0.53 H new ATOM 0 HE1 MET A 60 19.926 -5.993 -6.093 1.00 0.84 H new ATOM 0 HE2 MET A 60 18.390 -6.424 -6.880 1.00 0.84 H new ATOM 0 HE3 MET A 60 19.008 -4.758 -6.986 1.00 0.84 H new ATOM 958 N LYS A 61 14.510 -4.887 -9.148 1.00 0.44 N ATOM 959 CA LYS A 61 14.707 -4.284 -10.485 1.00 0.49 C ATOM 960 C LYS A 61 13.551 -3.321 -10.815 1.00 0.46 C ATOM 961 O LYS A 61 13.775 -2.271 -11.423 1.00 0.49 O ATOM 962 CB LYS A 61 14.829 -5.364 -11.581 1.00 0.59 C ATOM 963 CG LYS A 61 16.130 -6.176 -11.517 1.00 0.70 C ATOM 964 CD LYS A 61 16.264 -7.192 -12.662 1.00 1.11 C ATOM 965 CE LYS A 61 15.171 -8.270 -12.641 1.00 1.90 C ATOM 966 NZ LYS A 61 15.553 -9.490 -13.412 1.00 2.56 N ATOM 0 H LYS A 61 14.368 -5.897 -9.163 1.00 0.44 H new ATOM 0 HA LYS A 61 15.642 -3.724 -10.461 1.00 0.49 H new ATOM 0 HB2 LYS A 61 13.983 -6.046 -11.500 1.00 0.59 H new ATOM 0 HB3 LYS A 61 14.760 -4.885 -12.558 1.00 0.59 H new ATOM 0 HG2 LYS A 61 16.979 -5.493 -11.544 1.00 0.70 H new ATOM 0 HG3 LYS A 61 16.175 -6.703 -10.564 1.00 0.70 H new ATOM 0 HD2 LYS A 61 16.227 -6.664 -13.615 1.00 1.11 H new ATOM 0 HD3 LYS A 61 17.241 -7.672 -12.602 1.00 1.11 H new ATOM 0 HE2 LYS A 61 14.960 -8.548 -11.608 1.00 1.90 H new ATOM 0 HE3 LYS A 61 14.251 -7.857 -13.054 1.00 1.90 H new ATOM 0 HZ1 LYS A 61 14.781 -10.186 -13.366 1.00 2.56 H new ATOM 0 HZ2 LYS A 61 15.728 -9.233 -14.404 1.00 2.56 H new ATOM 0 HZ3 LYS A 61 16.416 -9.903 -13.004 1.00 2.56 H new ATOM 980 N SER A 62 12.314 -3.695 -10.408 1.00 0.44 N ATOM 981 CA SER A 62 11.119 -2.853 -10.617 1.00 0.46 C ATOM 982 C SER A 62 11.087 -1.698 -9.595 1.00 0.43 C ATOM 983 O SER A 62 10.639 -0.595 -9.920 1.00 0.47 O ATOM 984 CB SER A 62 9.831 -3.692 -10.510 1.00 0.53 C ATOM 985 OG SER A 62 9.825 -4.746 -11.459 1.00 0.61 O ATOM 0 H SER A 62 12.121 -4.577 -9.933 1.00 0.44 H new ATOM 0 HA SER A 62 11.173 -2.432 -11.621 1.00 0.46 H new ATOM 0 HB2 SER A 62 9.745 -4.104 -9.505 1.00 0.53 H new ATOM 0 HB3 SER A 62 8.963 -3.052 -10.668 1.00 0.53 H new ATOM 0 HG SER A 62 8.998 -5.263 -11.368 1.00 0.61 H new ATOM 991 N LEU A 63 11.557 -1.975 -8.351 1.00 0.40 N ATOM 992 CA LEU A 63 11.628 -0.972 -7.262 1.00 0.43 C ATOM 993 C LEU A 63 12.482 0.238 -7.682 1.00 0.45 C ATOM 994 O LEU A 63 12.041 1.383 -7.565 1.00 0.53 O ATOM 995 CB LEU A 63 12.218 -1.617 -5.979 1.00 0.45 C ATOM 996 CG LEU A 63 11.204 -2.317 -5.038 1.00 0.42 C ATOM 997 CD1 LEU A 63 11.900 -3.335 -4.134 1.00 0.48 C ATOM 998 CD2 LEU A 63 10.455 -1.286 -4.196 1.00 0.68 C ATOM 0 H LEU A 63 11.896 -2.898 -8.078 1.00 0.40 H new ATOM 0 HA LEU A 63 10.616 -0.623 -7.055 1.00 0.43 H new ATOM 0 HB2 LEU A 63 12.970 -2.348 -6.277 1.00 0.45 H new ATOM 0 HB3 LEU A 63 12.734 -0.842 -5.412 1.00 0.45 H new ATOM 0 HG LEU A 63 10.486 -2.852 -5.660 1.00 0.42 H new ATOM 0 HD11 LEU A 63 11.163 -3.809 -3.486 1.00 0.48 H new ATOM 0 HD12 LEU A 63 12.386 -4.094 -4.747 1.00 0.48 H new ATOM 0 HD13 LEU A 63 12.648 -2.828 -3.524 1.00 0.48 H new ATOM 0 HD21 LEU A 63 9.748 -1.795 -3.542 1.00 0.68 H new ATOM 0 HD22 LEU A 63 11.167 -0.723 -3.593 1.00 0.68 H new ATOM 0 HD23 LEU A 63 9.915 -0.603 -4.852 1.00 0.68 H new ATOM 1010 N ASP A 64 13.705 -0.038 -8.182 1.00 0.45 N ATOM 1011 CA ASP A 64 14.629 1.005 -8.645 1.00 0.51 C ATOM 1012 C ASP A 64 14.427 1.240 -10.157 1.00 0.50 C ATOM 1013 O ASP A 64 15.278 0.877 -10.980 1.00 0.54 O ATOM 1014 CB ASP A 64 16.084 0.600 -8.312 1.00 0.60 C ATOM 1015 CG ASP A 64 17.094 1.715 -8.542 1.00 0.83 C ATOM 1016 OD1 ASP A 64 17.225 2.592 -7.659 1.00 1.39 O ATOM 1017 OD2 ASP A 64 17.760 1.704 -9.598 1.00 1.28 O ATOM 0 H ASP A 64 14.073 -0.985 -8.273 1.00 0.45 H new ATOM 0 HA ASP A 64 14.422 1.944 -8.131 1.00 0.51 H new ATOM 0 HB2 ASP A 64 16.135 0.284 -7.270 1.00 0.60 H new ATOM 0 HB3 ASP A 64 16.361 -0.261 -8.920 1.00 0.60 H new ATOM 1022 N VAL A 65 13.271 1.836 -10.504 1.00 0.51 N ATOM 1023 CA VAL A 65 12.905 2.131 -11.909 1.00 0.55 C ATOM 1024 C VAL A 65 13.382 3.540 -12.354 1.00 0.55 C ATOM 1025 O VAL A 65 13.478 3.805 -13.556 1.00 0.60 O ATOM 1026 CB VAL A 65 11.359 1.959 -12.147 1.00 0.64 C ATOM 1027 CG1 VAL A 65 10.521 2.883 -11.250 1.00 0.67 C ATOM 1028 CG2 VAL A 65 10.978 2.132 -13.630 1.00 0.73 C ATOM 0 H VAL A 65 12.566 2.126 -9.826 1.00 0.51 H new ATOM 0 HA VAL A 65 13.426 1.402 -12.530 1.00 0.55 H new ATOM 0 HB VAL A 65 11.123 0.933 -11.864 1.00 0.64 H new ATOM 0 HG11 VAL A 65 9.462 2.725 -11.454 1.00 0.67 H new ATOM 0 HG12 VAL A 65 10.727 2.659 -10.203 1.00 0.67 H new ATOM 0 HG13 VAL A 65 10.779 3.922 -11.456 1.00 0.67 H new ATOM 0 HG21 VAL A 65 9.902 2.005 -13.746 1.00 0.73 H new ATOM 0 HG22 VAL A 65 11.264 3.129 -13.965 1.00 0.73 H new ATOM 0 HG23 VAL A 65 11.499 1.385 -14.229 1.00 0.73 H new ATOM 1038 N ASN A 66 13.681 4.432 -11.385 1.00 0.56 N ATOM 1039 CA ASN A 66 14.149 5.799 -11.685 1.00 0.60 C ATOM 1040 C ASN A 66 15.686 5.850 -11.918 1.00 0.59 C ATOM 1041 O ASN A 66 16.176 6.795 -12.547 1.00 0.66 O ATOM 1042 CB ASN A 66 13.744 6.757 -10.539 1.00 0.67 C ATOM 1043 CG ASN A 66 13.817 8.233 -10.925 1.00 0.94 C ATOM 1044 OD1 ASN A 66 12.833 8.805 -11.397 1.00 1.29 O ATOM 1045 ND2 ASN A 66 14.982 8.861 -10.733 1.00 1.44 N ATOM 0 H ASN A 66 13.606 4.228 -10.388 1.00 0.56 H new ATOM 0 HA ASN A 66 13.672 6.119 -12.611 1.00 0.60 H new ATOM 0 HB2 ASN A 66 12.728 6.522 -10.222 1.00 0.67 H new ATOM 0 HB3 ASN A 66 14.394 6.581 -9.682 1.00 0.67 H new ATOM 0 HD21 ASN A 66 15.077 9.846 -10.980 1.00 1.44 H new ATOM 0 HD22 ASN A 66 15.775 8.355 -10.340 1.00 1.44 H new ATOM 1052 N GLN A 67 16.434 4.827 -11.413 1.00 0.55 N ATOM 1053 CA GLN A 67 17.913 4.743 -11.536 1.00 0.60 C ATOM 1054 C GLN A 67 18.605 5.932 -10.835 1.00 0.63 C ATOM 1055 O GLN A 67 19.064 6.876 -11.490 1.00 0.78 O ATOM 1056 CB GLN A 67 18.384 4.630 -13.014 1.00 0.70 C ATOM 1057 CG GLN A 67 18.307 3.216 -13.610 1.00 0.88 C ATOM 1058 CD GLN A 67 17.017 2.950 -14.373 1.00 1.20 C ATOM 1059 OE1 GLN A 67 16.912 3.280 -15.555 1.00 1.96 O ATOM 1060 NE2 GLN A 67 16.035 2.334 -13.716 1.00 1.86 N ATOM 0 H GLN A 67 16.025 4.040 -10.910 1.00 0.55 H new ATOM 0 HA GLN A 67 18.211 3.824 -11.032 1.00 0.60 H new ATOM 0 HB2 GLN A 67 17.779 5.300 -13.625 1.00 0.70 H new ATOM 0 HB3 GLN A 67 19.414 4.981 -13.080 1.00 0.70 H new ATOM 0 HG2 GLN A 67 19.154 3.066 -14.280 1.00 0.88 H new ATOM 0 HG3 GLN A 67 18.402 2.486 -12.807 1.00 0.88 H new ATOM 0 HE21 GLN A 67 16.160 2.076 -12.737 1.00 1.86 H new ATOM 0 HE22 GLN A 67 15.159 2.120 -14.192 1.00 1.86 H new ATOM 1069 N ASP A 68 18.650 5.880 -9.492 1.00 0.62 N ATOM 1070 CA ASP A 68 19.285 6.939 -8.678 1.00 0.71 C ATOM 1071 C ASP A 68 19.871 6.386 -7.348 1.00 0.77 C ATOM 1072 O ASP A 68 20.148 7.167 -6.432 1.00 1.32 O ATOM 1073 CB ASP A 68 18.240 8.049 -8.401 1.00 0.78 C ATOM 1074 CG ASP A 68 18.848 9.374 -7.952 1.00 1.08 C ATOM 1075 OD1 ASP A 68 19.413 10.090 -8.806 1.00 1.41 O ATOM 1076 OD2 ASP A 68 18.746 9.697 -6.751 1.00 1.37 O ATOM 0 H ASP A 68 18.254 5.116 -8.944 1.00 0.62 H new ATOM 0 HA ASP A 68 20.126 7.350 -9.237 1.00 0.71 H new ATOM 0 HB2 ASP A 68 17.655 8.217 -9.305 1.00 0.78 H new ATOM 0 HB3 ASP A 68 17.548 7.700 -7.634 1.00 0.78 H new ATOM 1081 N SER A 69 20.081 5.042 -7.256 1.00 0.62 N ATOM 1082 CA SER A 69 20.616 4.358 -6.047 1.00 0.67 C ATOM 1083 C SER A 69 19.582 4.298 -4.897 1.00 0.68 C ATOM 1084 O SER A 69 19.292 3.211 -4.385 1.00 1.24 O ATOM 1085 CB SER A 69 21.936 4.997 -5.559 1.00 0.82 C ATOM 1086 OG SER A 69 22.589 4.170 -4.604 1.00 1.31 O ATOM 0 H SER A 69 19.882 4.401 -8.024 1.00 0.62 H new ATOM 0 HA SER A 69 20.829 3.333 -6.350 1.00 0.67 H new ATOM 0 HB2 SER A 69 22.597 5.166 -6.409 1.00 0.82 H new ATOM 0 HB3 SER A 69 21.729 5.972 -5.118 1.00 0.82 H new ATOM 0 HG SER A 69 23.421 4.599 -4.315 1.00 1.31 H new ATOM 1092 N GLU A 70 19.036 5.467 -4.497 1.00 0.66 N ATOM 1093 CA GLU A 70 18.040 5.558 -3.415 1.00 0.77 C ATOM 1094 C GLU A 70 16.627 5.261 -3.938 1.00 0.64 C ATOM 1095 O GLU A 70 16.302 5.583 -5.087 1.00 0.75 O ATOM 1096 CB GLU A 70 18.077 6.959 -2.771 1.00 1.13 C ATOM 1097 CG GLU A 70 19.447 7.360 -2.198 1.00 1.41 C ATOM 1098 CD GLU A 70 19.908 8.739 -2.648 1.00 1.90 C ATOM 1099 OE1 GLU A 70 19.303 9.740 -2.209 1.00 2.42 O ATOM 1100 OE2 GLU A 70 20.872 8.817 -3.440 1.00 2.41 O ATOM 0 H GLU A 70 19.273 6.367 -4.914 1.00 0.66 H new ATOM 0 HA GLU A 70 18.292 4.811 -2.663 1.00 0.77 H new ATOM 0 HB2 GLU A 70 17.779 7.696 -3.517 1.00 1.13 H new ATOM 0 HB3 GLU A 70 17.337 6.997 -1.971 1.00 1.13 H new ATOM 0 HG2 GLU A 70 19.398 7.338 -1.109 1.00 1.41 H new ATOM 0 HG3 GLU A 70 20.189 6.620 -2.499 1.00 1.41 H new ATOM 1107 N LEU A 71 15.790 4.651 -3.079 1.00 0.57 N ATOM 1108 CA LEU A 71 14.412 4.289 -3.430 1.00 0.51 C ATOM 1109 C LEU A 71 13.406 5.222 -2.740 1.00 0.51 C ATOM 1110 O LEU A 71 13.117 5.055 -1.551 1.00 0.53 O ATOM 1111 CB LEU A 71 14.120 2.825 -3.018 1.00 0.53 C ATOM 1112 CG LEU A 71 14.661 1.710 -3.946 1.00 0.66 C ATOM 1113 CD1 LEU A 71 16.184 1.781 -4.118 1.00 0.95 C ATOM 1114 CD2 LEU A 71 14.246 0.342 -3.398 1.00 0.74 C ATOM 0 H LEU A 71 16.052 4.398 -2.126 1.00 0.57 H new ATOM 0 HA LEU A 71 14.304 4.392 -4.510 1.00 0.51 H new ATOM 0 HB2 LEU A 71 14.532 2.665 -2.022 1.00 0.53 H new ATOM 0 HB3 LEU A 71 13.040 2.705 -2.939 1.00 0.53 H new ATOM 0 HG LEU A 71 14.226 1.859 -4.934 1.00 0.66 H new ATOM 0 HD11 LEU A 71 16.514 0.978 -4.777 1.00 0.95 H new ATOM 0 HD12 LEU A 71 16.457 2.743 -4.553 1.00 0.95 H new ATOM 0 HD13 LEU A 71 16.665 1.673 -3.146 1.00 0.95 H new ATOM 0 HD21 LEU A 71 14.627 -0.443 -4.052 1.00 0.74 H new ATOM 0 HD22 LEU A 71 14.656 0.211 -2.397 1.00 0.74 H new ATOM 0 HD23 LEU A 71 13.159 0.282 -3.355 1.00 0.74 H new ATOM 1126 N LYS A 72 12.865 6.203 -3.489 1.00 0.53 N ATOM 1127 CA LYS A 72 11.855 7.144 -2.945 1.00 0.56 C ATOM 1128 C LYS A 72 10.577 6.362 -2.595 1.00 0.50 C ATOM 1129 O LYS A 72 10.488 5.182 -2.937 1.00 0.48 O ATOM 1130 CB LYS A 72 11.547 8.263 -3.969 1.00 0.63 C ATOM 1131 CG LYS A 72 11.388 9.654 -3.353 1.00 0.86 C ATOM 1132 CD LYS A 72 10.951 10.689 -4.395 1.00 1.00 C ATOM 1133 CE LYS A 72 11.042 12.125 -3.873 1.00 1.43 C ATOM 1134 NZ LYS A 72 10.108 12.392 -2.738 1.00 1.89 N ATOM 0 H LYS A 72 13.106 6.367 -4.466 1.00 0.53 H new ATOM 0 HA LYS A 72 12.247 7.616 -2.044 1.00 0.56 H new ATOM 0 HB2 LYS A 72 12.349 8.295 -4.707 1.00 0.63 H new ATOM 0 HB3 LYS A 72 10.632 8.008 -4.503 1.00 0.63 H new ATOM 0 HG2 LYS A 72 10.653 9.614 -2.549 1.00 0.86 H new ATOM 0 HG3 LYS A 72 12.333 9.964 -2.906 1.00 0.86 H new ATOM 0 HD2 LYS A 72 11.574 10.589 -5.284 1.00 1.00 H new ATOM 0 HD3 LYS A 72 9.925 10.481 -4.700 1.00 1.00 H new ATOM 0 HE2 LYS A 72 12.064 12.325 -3.551 1.00 1.43 H new ATOM 0 HE3 LYS A 72 10.824 12.816 -4.687 1.00 1.43 H new ATOM 0 HZ1 LYS A 72 10.214 13.379 -2.426 1.00 1.89 H new ATOM 0 HZ2 LYS A 72 9.129 12.230 -3.049 1.00 1.89 H new ATOM 0 HZ3 LYS A 72 10.331 11.754 -1.948 1.00 1.89 H new ATOM 1148 N PHE A 73 9.581 6.981 -1.928 1.00 0.53 N ATOM 1149 CA PHE A 73 8.353 6.234 -1.591 1.00 0.50 C ATOM 1150 C PHE A 73 7.582 5.813 -2.860 1.00 0.47 C ATOM 1151 O PHE A 73 6.919 4.775 -2.854 1.00 0.47 O ATOM 1152 CB PHE A 73 7.441 6.986 -0.603 1.00 0.56 C ATOM 1153 CG PHE A 73 6.726 6.036 0.343 1.00 0.69 C ATOM 1154 CD1 PHE A 73 5.577 5.365 -0.061 1.00 0.89 C ATOM 1155 CD2 PHE A 73 7.226 5.778 1.618 1.00 0.87 C ATOM 1156 CE1 PHE A 73 4.947 4.469 0.782 1.00 1.12 C ATOM 1157 CE2 PHE A 73 6.593 4.888 2.463 1.00 1.11 C ATOM 1158 CZ PHE A 73 5.457 4.233 2.046 1.00 1.20 C ATOM 0 H PHE A 73 9.598 7.954 -1.623 1.00 0.53 H new ATOM 0 HA PHE A 73 8.679 5.329 -1.078 1.00 0.50 H new ATOM 0 HB2 PHE A 73 8.036 7.693 -0.026 1.00 0.56 H new ATOM 0 HB3 PHE A 73 6.705 7.567 -1.159 1.00 0.56 H new ATOM 0 HD1 PHE A 73 5.172 5.546 -1.046 1.00 0.89 H new ATOM 0 HD2 PHE A 73 8.122 6.282 1.950 1.00 0.87 H new ATOM 0 HE1 PHE A 73 4.057 3.953 0.454 1.00 1.12 H new ATOM 0 HE2 PHE A 73 6.989 4.706 3.451 1.00 1.11 H new ATOM 0 HZ PHE A 73 4.964 3.535 2.706 1.00 1.20 H new ATOM 1168 N ASN A 74 7.676 6.616 -3.950 1.00 0.49 N ATOM 1169 CA ASN A 74 7.029 6.258 -5.231 1.00 0.51 C ATOM 1170 C ASN A 74 7.756 5.047 -5.861 1.00 0.49 C ATOM 1171 O ASN A 74 7.145 4.269 -6.596 1.00 0.53 O ATOM 1172 CB ASN A 74 7.016 7.453 -6.211 1.00 0.57 C ATOM 1173 CG ASN A 74 6.154 7.206 -7.451 1.00 0.65 C ATOM 1174 OD1 ASN A 74 6.663 6.819 -8.505 1.00 0.98 O ATOM 1175 ND2 ASN A 74 4.844 7.419 -7.332 1.00 0.91 N ATOM 0 H ASN A 74 8.185 7.500 -3.966 1.00 0.49 H new ATOM 0 HA ASN A 74 5.992 5.990 -5.029 1.00 0.51 H new ATOM 0 HB2 ASN A 74 6.648 8.337 -5.691 1.00 0.57 H new ATOM 0 HB3 ASN A 74 8.038 7.669 -6.524 1.00 0.57 H new ATOM 0 HD21 ASN A 74 4.227 7.262 -8.129 1.00 0.91 H new ATOM 0 HD22 ASN A 74 4.458 7.739 -6.444 1.00 0.91 H new ATOM 1182 N GLU A 75 9.074 4.922 -5.578 1.00 0.46 N ATOM 1183 CA GLU A 75 9.895 3.796 -6.053 1.00 0.47 C ATOM 1184 C GLU A 75 9.715 2.575 -5.123 1.00 0.43 C ATOM 1185 O GLU A 75 9.647 1.444 -5.606 1.00 0.44 O ATOM 1186 CB GLU A 75 11.383 4.213 -6.145 1.00 0.53 C ATOM 1187 CG GLU A 75 11.745 4.975 -7.428 1.00 0.61 C ATOM 1188 CD GLU A 75 11.155 6.379 -7.501 1.00 0.78 C ATOM 1189 OE1 GLU A 75 10.011 6.520 -7.982 1.00 1.03 O ATOM 1190 OE2 GLU A 75 11.845 7.337 -7.090 1.00 0.98 O ATOM 0 H GLU A 75 9.591 5.598 -5.016 1.00 0.46 H new ATOM 0 HA GLU A 75 9.563 3.514 -7.052 1.00 0.47 H new ATOM 0 HB2 GLU A 75 11.628 4.836 -5.285 1.00 0.53 H new ATOM 0 HB3 GLU A 75 12.004 3.320 -6.079 1.00 0.53 H new ATOM 0 HG2 GLU A 75 12.830 5.043 -7.504 1.00 0.61 H new ATOM 0 HG3 GLU A 75 11.400 4.402 -8.289 1.00 0.61 H new ATOM 1197 N TYR A 76 9.626 2.823 -3.789 1.00 0.42 N ATOM 1198 CA TYR A 76 9.404 1.763 -2.770 1.00 0.41 C ATOM 1199 C TYR A 76 7.968 1.183 -2.873 1.00 0.39 C ATOM 1200 O TYR A 76 7.703 0.086 -2.374 1.00 0.52 O ATOM 1201 CB TYR A 76 9.664 2.329 -1.349 1.00 0.44 C ATOM 1202 CG TYR A 76 9.613 1.304 -0.209 1.00 0.45 C ATOM 1203 CD1 TYR A 76 10.404 0.154 -0.234 1.00 0.52 C ATOM 1204 CD2 TYR A 76 8.774 1.490 0.891 1.00 0.51 C ATOM 1205 CE1 TYR A 76 10.360 -0.768 0.793 1.00 0.59 C ATOM 1206 CE2 TYR A 76 8.728 0.568 1.921 1.00 0.57 C ATOM 1207 CZ TYR A 76 9.523 -0.560 1.866 1.00 0.59 C ATOM 1208 OH TYR A 76 9.486 -1.483 2.890 1.00 0.69 O ATOM 0 H TYR A 76 9.706 3.759 -3.392 1.00 0.42 H new ATOM 0 HA TYR A 76 10.106 0.951 -2.960 1.00 0.41 H new ATOM 0 HB2 TYR A 76 10.644 2.806 -1.341 1.00 0.44 H new ATOM 0 HB3 TYR A 76 8.928 3.108 -1.147 1.00 0.44 H new ATOM 0 HD1 TYR A 76 11.063 -0.018 -1.072 1.00 0.52 H new ATOM 0 HD2 TYR A 76 8.149 2.370 0.939 1.00 0.51 H new ATOM 0 HE1 TYR A 76 10.981 -1.651 0.755 1.00 0.59 H new ATOM 0 HE2 TYR A 76 8.073 0.729 2.765 1.00 0.57 H new ATOM 0 HH TYR A 76 8.846 -1.190 3.572 1.00 0.69 H new ATOM 1218 N TRP A 77 7.060 1.947 -3.532 1.00 0.40 N ATOM 1219 CA TRP A 77 5.643 1.579 -3.764 1.00 0.42 C ATOM 1220 C TRP A 77 5.463 0.149 -4.342 1.00 0.37 C ATOM 1221 O TRP A 77 4.434 -0.484 -4.097 1.00 0.39 O ATOM 1222 CB TRP A 77 5.028 2.647 -4.702 1.00 0.58 C ATOM 1223 CG TRP A 77 3.648 2.359 -5.236 1.00 0.49 C ATOM 1224 CD1 TRP A 77 2.507 2.162 -4.520 1.00 0.53 C ATOM 1225 CD2 TRP A 77 3.275 2.251 -6.617 1.00 0.78 C ATOM 1226 NE1 TRP A 77 1.449 1.944 -5.365 1.00 0.77 N ATOM 1227 CE2 TRP A 77 1.896 1.989 -6.659 1.00 0.97 C ATOM 1228 CE3 TRP A 77 3.978 2.348 -7.819 1.00 1.04 C ATOM 1229 CZ2 TRP A 77 1.205 1.823 -7.859 1.00 1.40 C ATOM 1230 CZ3 TRP A 77 3.293 2.185 -9.007 1.00 1.45 C ATOM 1231 CH2 TRP A 77 1.920 1.924 -9.020 1.00 1.62 C ATOM 0 H TRP A 77 7.300 2.857 -3.925 1.00 0.40 H new ATOM 0 HA TRP A 77 5.126 1.559 -2.805 1.00 0.42 H new ATOM 0 HB2 TRP A 77 4.995 3.595 -4.164 1.00 0.58 H new ATOM 0 HB3 TRP A 77 5.700 2.784 -5.549 1.00 0.58 H new ATOM 0 HD1 TRP A 77 2.444 2.175 -3.442 1.00 0.53 H new ATOM 0 HE1 TRP A 77 0.485 1.776 -5.077 1.00 0.77 H new ATOM 0 HE3 TRP A 77 5.039 2.547 -7.820 1.00 1.04 H new ATOM 0 HZ2 TRP A 77 0.144 1.622 -7.871 1.00 1.40 H new ATOM 0 HZ3 TRP A 77 3.828 2.261 -9.942 1.00 1.45 H new ATOM 0 HH2 TRP A 77 1.414 1.800 -9.966 1.00 1.62 H new ATOM 1242 N ARG A 78 6.460 -0.344 -5.114 1.00 0.39 N ATOM 1243 CA ARG A 78 6.417 -1.704 -5.709 1.00 0.42 C ATOM 1244 C ARG A 78 6.346 -2.792 -4.620 1.00 0.40 C ATOM 1245 O ARG A 78 5.643 -3.795 -4.790 1.00 0.45 O ATOM 1246 CB ARG A 78 7.646 -1.965 -6.608 1.00 0.49 C ATOM 1247 CG ARG A 78 7.820 -0.989 -7.779 1.00 0.64 C ATOM 1248 CD ARG A 78 6.700 -1.081 -8.821 1.00 0.82 C ATOM 1249 NE ARG A 78 6.655 -2.389 -9.504 1.00 1.11 N ATOM 1250 CZ ARG A 78 6.149 -2.613 -10.736 1.00 1.57 C ATOM 1251 NH1 ARG A 78 5.691 -1.609 -11.502 1.00 1.96 N ATOM 1252 NH2 ARG A 78 6.117 -3.858 -11.212 1.00 1.93 N ATOM 0 H ARG A 78 7.306 0.179 -5.340 1.00 0.39 H new ATOM 0 HA ARG A 78 5.514 -1.751 -6.318 1.00 0.42 H new ATOM 0 HB2 ARG A 78 8.543 -1.928 -5.989 1.00 0.49 H new ATOM 0 HB3 ARG A 78 7.575 -2.977 -7.007 1.00 0.49 H new ATOM 0 HG2 ARG A 78 7.862 0.029 -7.391 1.00 0.64 H new ATOM 0 HG3 ARG A 78 8.776 -1.184 -8.266 1.00 0.64 H new ATOM 0 HD2 ARG A 78 5.742 -0.898 -8.334 1.00 0.82 H new ATOM 0 HD3 ARG A 78 6.836 -0.294 -9.563 1.00 0.82 H new ATOM 0 HE ARG A 78 7.038 -3.191 -9.003 1.00 1.11 H new ATOM 0 HH11 ARG A 78 5.720 -0.650 -11.157 1.00 1.96 H new ATOM 0 HH12 ARG A 78 5.314 -1.806 -12.429 1.00 1.96 H new ATOM 0 HH21 ARG A 78 6.472 -4.629 -10.647 1.00 1.93 H new ATOM 0 HH22 ARG A 78 5.737 -4.039 -12.141 1.00 1.93 H new ATOM 1266 N LEU A 79 7.080 -2.584 -3.507 1.00 0.37 N ATOM 1267 CA LEU A 79 7.090 -3.532 -2.382 1.00 0.37 C ATOM 1268 C LEU A 79 5.873 -3.300 -1.462 1.00 0.36 C ATOM 1269 O LEU A 79 5.423 -4.231 -0.790 1.00 0.39 O ATOM 1270 CB LEU A 79 8.405 -3.428 -1.579 1.00 0.40 C ATOM 1271 CG LEU A 79 8.775 -4.683 -0.751 1.00 0.44 C ATOM 1272 CD1 LEU A 79 9.459 -5.744 -1.626 1.00 0.49 C ATOM 1273 CD2 LEU A 79 9.653 -4.313 0.444 1.00 0.53 C ATOM 0 H LEU A 79 7.673 -1.766 -3.367 1.00 0.37 H new ATOM 0 HA LEU A 79 7.024 -4.540 -2.793 1.00 0.37 H new ATOM 0 HB2 LEU A 79 9.219 -3.217 -2.272 1.00 0.40 H new ATOM 0 HB3 LEU A 79 8.333 -2.576 -0.904 1.00 0.40 H new ATOM 0 HG LEU A 79 7.849 -5.112 -0.368 1.00 0.44 H new ATOM 0 HD11 LEU A 79 9.707 -6.613 -1.017 1.00 0.49 H new ATOM 0 HD12 LEU A 79 8.785 -6.044 -2.428 1.00 0.49 H new ATOM 0 HD13 LEU A 79 10.371 -5.329 -2.055 1.00 0.49 H new ATOM 0 HD21 LEU A 79 9.898 -5.213 1.008 1.00 0.53 H new ATOM 0 HD22 LEU A 79 10.572 -3.846 0.090 1.00 0.53 H new ATOM 0 HD23 LEU A 79 9.116 -3.616 1.088 1.00 0.53 H new ATOM 1285 N ILE A 80 5.351 -2.046 -1.435 1.00 0.38 N ATOM 1286 CA ILE A 80 4.161 -1.692 -0.630 1.00 0.41 C ATOM 1287 C ILE A 80 2.943 -2.528 -1.085 1.00 0.40 C ATOM 1288 O ILE A 80 2.145 -2.966 -0.252 1.00 0.43 O ATOM 1289 CB ILE A 80 3.840 -0.154 -0.721 1.00 0.49 C ATOM 1290 CG1 ILE A 80 5.005 0.705 -0.152 1.00 0.53 C ATOM 1291 CG2 ILE A 80 2.517 0.207 -0.028 1.00 0.59 C ATOM 1292 CD1 ILE A 80 5.288 0.521 1.338 1.00 0.61 C ATOM 0 H ILE A 80 5.739 -1.265 -1.964 1.00 0.38 H new ATOM 0 HA ILE A 80 4.379 -1.921 0.413 1.00 0.41 H new ATOM 0 HB ILE A 80 3.729 0.076 -1.781 1.00 0.49 H new ATOM 0 HG12 ILE A 80 5.912 0.470 -0.708 1.00 0.53 H new ATOM 0 HG13 ILE A 80 4.782 1.756 -0.335 1.00 0.53 H new ATOM 0 HG21 ILE A 80 2.340 1.279 -0.118 1.00 0.59 H new ATOM 0 HG22 ILE A 80 1.699 -0.337 -0.500 1.00 0.59 H new ATOM 0 HG23 ILE A 80 2.573 -0.064 1.026 1.00 0.59 H new ATOM 0 HD11 ILE A 80 6.117 1.164 1.633 1.00 0.61 H new ATOM 0 HD12 ILE A 80 4.401 0.787 1.912 1.00 0.61 H new ATOM 0 HD13 ILE A 80 5.549 -0.519 1.533 1.00 0.61 H new ATOM 1304 N GLY A 81 2.814 -2.736 -2.417 1.00 0.40 N ATOM 1305 CA GLY A 81 1.728 -3.545 -2.968 1.00 0.44 C ATOM 1306 C GLY A 81 1.833 -5.013 -2.569 1.00 0.41 C ATOM 1307 O GLY A 81 0.833 -5.627 -2.196 1.00 0.47 O ATOM 0 H GLY A 81 3.450 -2.353 -3.117 1.00 0.40 H new ATOM 0 HA2 GLY A 81 0.773 -3.146 -2.626 1.00 0.44 H new ATOM 0 HA3 GLY A 81 1.736 -3.466 -4.055 1.00 0.44 H new ATOM 1311 N GLU A 82 3.062 -5.567 -2.646 1.00 0.38 N ATOM 1312 CA GLU A 82 3.334 -6.971 -2.272 1.00 0.38 C ATOM 1313 C GLU A 82 3.328 -7.174 -0.739 1.00 0.36 C ATOM 1314 O GLU A 82 3.236 -8.313 -0.270 1.00 0.42 O ATOM 1315 CB GLU A 82 4.686 -7.435 -2.856 1.00 0.43 C ATOM 1316 CG GLU A 82 4.779 -7.374 -4.386 1.00 0.51 C ATOM 1317 CD GLU A 82 3.822 -8.325 -5.092 1.00 0.62 C ATOM 1318 OE1 GLU A 82 4.031 -9.553 -5.002 1.00 0.83 O ATOM 1319 OE2 GLU A 82 2.870 -7.838 -5.739 1.00 0.86 O ATOM 0 H GLU A 82 3.886 -5.059 -2.966 1.00 0.38 H new ATOM 0 HA GLU A 82 2.531 -7.576 -2.693 1.00 0.38 H new ATOM 0 HB2 GLU A 82 5.480 -6.819 -2.433 1.00 0.43 H new ATOM 0 HB3 GLU A 82 4.872 -8.460 -2.535 1.00 0.43 H new ATOM 0 HG2 GLU A 82 4.574 -6.355 -4.714 1.00 0.51 H new ATOM 0 HG3 GLU A 82 5.800 -7.607 -4.689 1.00 0.51 H new ATOM 1326 N LEU A 83 3.429 -6.069 0.037 1.00 0.36 N ATOM 1327 CA LEU A 83 3.427 -6.119 1.514 1.00 0.39 C ATOM 1328 C LEU A 83 2.115 -6.743 2.057 1.00 0.40 C ATOM 1329 O LEU A 83 2.159 -7.605 2.935 1.00 0.49 O ATOM 1330 CB LEU A 83 3.647 -4.694 2.110 1.00 0.44 C ATOM 1331 CG LEU A 83 4.863 -4.509 3.057 1.00 0.49 C ATOM 1332 CD1 LEU A 83 6.189 -4.783 2.339 1.00 0.67 C ATOM 1333 CD2 LEU A 83 4.871 -3.097 3.660 1.00 0.61 C ATOM 0 H LEU A 83 3.513 -5.126 -0.342 1.00 0.36 H new ATOM 0 HA LEU A 83 4.252 -6.758 1.828 1.00 0.39 H new ATOM 0 HB2 LEU A 83 3.752 -3.993 1.282 1.00 0.44 H new ATOM 0 HB3 LEU A 83 2.746 -4.411 2.655 1.00 0.44 H new ATOM 0 HG LEU A 83 4.761 -5.238 3.861 1.00 0.49 H new ATOM 0 HD11 LEU A 83 7.016 -4.643 3.036 1.00 0.67 H new ATOM 0 HD12 LEU A 83 6.197 -5.808 1.968 1.00 0.67 H new ATOM 0 HD13 LEU A 83 6.299 -4.093 1.502 1.00 0.67 H new ATOM 0 HD21 LEU A 83 5.731 -2.988 4.321 1.00 0.61 H new ATOM 0 HD22 LEU A 83 4.933 -2.360 2.859 1.00 0.61 H new ATOM 0 HD23 LEU A 83 3.955 -2.939 4.229 1.00 0.61 H new ATOM 1345 N ALA A 84 0.954 -6.302 1.523 1.00 0.39 N ATOM 1346 CA ALA A 84 -0.364 -6.829 1.945 1.00 0.45 C ATOM 1347 C ALA A 84 -0.889 -7.931 1.000 1.00 0.45 C ATOM 1348 O ALA A 84 -1.854 -8.624 1.335 1.00 0.55 O ATOM 1349 CB ALA A 84 -1.384 -5.705 2.059 1.00 0.54 C ATOM 0 H ALA A 84 0.903 -5.584 0.800 1.00 0.39 H new ATOM 0 HA ALA A 84 -0.221 -7.283 2.926 1.00 0.45 H new ATOM 0 HB1 ALA A 84 -2.345 -6.116 2.370 1.00 0.54 H new ATOM 0 HB2 ALA A 84 -1.044 -4.978 2.797 1.00 0.54 H new ATOM 0 HB3 ALA A 84 -1.495 -5.215 1.092 1.00 0.54 H new ATOM 1355 N LYS A 85 -0.269 -8.076 -0.192 1.00 0.42 N ATOM 1356 CA LYS A 85 -0.656 -9.113 -1.164 1.00 0.46 C ATOM 1357 C LYS A 85 -0.046 -10.474 -0.769 1.00 0.47 C ATOM 1358 O LYS A 85 -0.637 -11.519 -1.048 1.00 0.55 O ATOM 1359 CB LYS A 85 -0.206 -8.709 -2.584 1.00 0.49 C ATOM 1360 CG LYS A 85 -0.849 -9.520 -3.720 1.00 0.59 C ATOM 1361 CD LYS A 85 -0.065 -9.417 -5.039 1.00 0.64 C ATOM 1362 CE LYS A 85 -0.512 -8.245 -5.922 1.00 0.69 C ATOM 1363 NZ LYS A 85 -0.260 -6.905 -5.306 1.00 0.96 N ATOM 0 H LYS A 85 0.503 -7.485 -0.501 1.00 0.42 H new ATOM 0 HA LYS A 85 -1.742 -9.209 -1.159 1.00 0.46 H new ATOM 0 HB2 LYS A 85 -0.434 -7.654 -2.736 1.00 0.49 H new ATOM 0 HB3 LYS A 85 0.877 -8.814 -2.650 1.00 0.49 H new ATOM 0 HG2 LYS A 85 -0.915 -10.566 -3.422 1.00 0.59 H new ATOM 0 HG3 LYS A 85 -1.869 -9.169 -3.880 1.00 0.59 H new ATOM 0 HD2 LYS A 85 0.996 -9.310 -4.815 1.00 0.64 H new ATOM 0 HD3 LYS A 85 -0.181 -10.347 -5.596 1.00 0.64 H new ATOM 0 HE2 LYS A 85 0.009 -8.301 -6.878 1.00 0.69 H new ATOM 0 HE3 LYS A 85 -1.577 -8.345 -6.133 1.00 0.69 H new ATOM 0 HZ1 LYS A 85 -0.275 -6.174 -6.046 1.00 0.96 H new ATOM 0 HZ2 LYS A 85 -0.999 -6.701 -4.603 1.00 0.96 H new ATOM 0 HZ3 LYS A 85 0.670 -6.907 -4.840 1.00 0.96 H new ATOM 1377 N GLU A 86 1.140 -10.448 -0.121 1.00 0.42 N ATOM 1378 CA GLU A 86 1.833 -11.673 0.323 1.00 0.46 C ATOM 1379 C GLU A 86 1.469 -12.061 1.779 1.00 0.52 C ATOM 1380 O GLU A 86 1.834 -13.150 2.225 1.00 0.92 O ATOM 1381 CB GLU A 86 3.365 -11.513 0.177 1.00 0.49 C ATOM 1382 CG GLU A 86 3.849 -11.269 -1.258 1.00 0.55 C ATOM 1383 CD GLU A 86 3.635 -12.459 -2.185 1.00 1.03 C ATOM 1384 OE1 GLU A 86 4.491 -13.370 -2.191 1.00 1.52 O ATOM 1385 OE2 GLU A 86 2.613 -12.476 -2.905 1.00 1.65 O ATOM 0 H GLU A 86 1.637 -9.587 0.106 1.00 0.42 H new ATOM 0 HA GLU A 86 1.494 -12.483 -0.322 1.00 0.46 H new ATOM 0 HB2 GLU A 86 3.691 -10.682 0.802 1.00 0.49 H new ATOM 0 HB3 GLU A 86 3.849 -12.411 0.562 1.00 0.49 H new ATOM 0 HG2 GLU A 86 3.328 -10.403 -1.666 1.00 0.55 H new ATOM 0 HG3 GLU A 86 4.910 -11.022 -1.237 1.00 0.55 H new ATOM 1392 N ILE A 87 0.756 -11.182 2.528 1.00 0.44 N ATOM 1393 CA ILE A 87 0.357 -11.492 3.921 1.00 0.47 C ATOM 1394 C ILE A 87 -0.788 -12.535 3.939 1.00 0.51 C ATOM 1395 O ILE A 87 -0.780 -13.451 4.766 1.00 0.61 O ATOM 1396 CB ILE A 87 -0.023 -10.183 4.727 1.00 0.51 C ATOM 1397 CG1 ILE A 87 0.214 -10.347 6.261 1.00 0.59 C ATOM 1398 CG2 ILE A 87 -1.446 -9.676 4.434 1.00 0.55 C ATOM 1399 CD1 ILE A 87 -0.699 -11.327 6.987 1.00 0.66 C ATOM 0 H ILE A 87 0.450 -10.267 2.196 1.00 0.44 H new ATOM 0 HA ILE A 87 1.216 -11.931 4.429 1.00 0.47 H new ATOM 0 HB ILE A 87 0.658 -9.413 4.365 1.00 0.51 H new ATOM 0 HG12 ILE A 87 1.246 -10.663 6.415 1.00 0.59 H new ATOM 0 HG13 ILE A 87 0.107 -9.369 6.730 1.00 0.59 H new ATOM 0 HG21 ILE A 87 -1.640 -8.777 5.019 1.00 0.55 H new ATOM 0 HG22 ILE A 87 -1.539 -9.445 3.373 1.00 0.55 H new ATOM 0 HG23 ILE A 87 -2.169 -10.446 4.702 1.00 0.55 H new ATOM 0 HD11 ILE A 87 -0.437 -11.353 8.045 1.00 0.66 H new ATOM 0 HD12 ILE A 87 -1.736 -11.008 6.878 1.00 0.66 H new ATOM 0 HD13 ILE A 87 -0.579 -12.322 6.559 1.00 0.66 H new ATOM 1411 N ARG A 88 -1.742 -12.405 2.992 1.00 0.54 N ATOM 1412 CA ARG A 88 -2.893 -13.318 2.892 1.00 0.68 C ATOM 1413 C ARG A 88 -2.731 -14.345 1.748 1.00 0.68 C ATOM 1414 O ARG A 88 -3.101 -15.510 1.925 1.00 0.87 O ATOM 1415 CB ARG A 88 -4.212 -12.524 2.736 1.00 0.83 C ATOM 1416 CG ARG A 88 -4.282 -11.600 1.513 1.00 0.91 C ATOM 1417 CD ARG A 88 -5.603 -10.837 1.437 1.00 1.05 C ATOM 1418 NE ARG A 88 -5.899 -10.402 0.060 1.00 1.18 N ATOM 1419 CZ ARG A 88 -5.802 -9.144 -0.428 1.00 1.39 C ATOM 1420 NH1 ARG A 88 -5.422 -8.107 0.333 1.00 1.74 N ATOM 1421 NH2 ARG A 88 -6.089 -8.930 -1.714 1.00 1.73 N ATOM 0 H ARG A 88 -1.734 -11.671 2.284 1.00 0.54 H new ATOM 0 HA ARG A 88 -2.934 -13.883 3.823 1.00 0.68 H new ATOM 0 HB2 ARG A 88 -5.039 -13.232 2.683 1.00 0.83 H new ATOM 0 HB3 ARG A 88 -4.363 -11.924 3.633 1.00 0.83 H new ATOM 0 HG2 ARG A 88 -3.456 -10.889 1.550 1.00 0.91 H new ATOM 0 HG3 ARG A 88 -4.154 -12.191 0.606 1.00 0.91 H new ATOM 0 HD2 ARG A 88 -6.412 -11.471 1.801 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -5.560 -9.967 2.093 1.00 1.05 H new ATOM 0 HE ARG A 88 -6.209 -11.123 -0.591 1.00 1.18 H new ATOM 0 HH11 ARG A 88 -5.194 -8.253 1.316 1.00 1.74 H new ATOM 0 HH12 ARG A 88 -5.361 -7.173 -0.072 1.00 1.74 H new ATOM 0 HH21 ARG A 88 -6.375 -9.708 -2.309 1.00 1.73 H new ATOM 0 HH22 ARG A 88 -6.022 -7.989 -2.102 1.00 1.73 H new ATOM 1435 N LYS A 89 -2.186 -13.919 0.581 1.00 0.58 N ATOM 1436 CA LYS A 89 -2.005 -14.826 -0.571 1.00 0.64 C ATOM 1437 C LYS A 89 -0.557 -14.807 -1.119 1.00 0.58 C ATOM 1438 O LYS A 89 -0.278 -14.198 -2.158 1.00 0.69 O ATOM 1439 CB LYS A 89 -3.046 -14.528 -1.692 1.00 0.76 C ATOM 1440 CG LYS A 89 -3.022 -13.105 -2.274 1.00 0.77 C ATOM 1441 CD LYS A 89 -3.986 -12.951 -3.455 1.00 1.00 C ATOM 1442 CE LYS A 89 -3.666 -11.720 -4.303 1.00 1.22 C ATOM 1443 NZ LYS A 89 -4.584 -11.589 -5.472 1.00 1.52 N ATOM 0 H LYS A 89 -1.869 -12.964 0.417 1.00 0.58 H new ATOM 0 HA LYS A 89 -2.184 -15.838 -0.208 1.00 0.64 H new ATOM 0 HB2 LYS A 89 -2.886 -15.235 -2.506 1.00 0.76 H new ATOM 0 HB3 LYS A 89 -4.043 -14.720 -1.295 1.00 0.76 H new ATOM 0 HG2 LYS A 89 -3.286 -12.390 -1.495 1.00 0.77 H new ATOM 0 HG3 LYS A 89 -2.010 -12.863 -2.598 1.00 0.77 H new ATOM 0 HD2 LYS A 89 -3.939 -13.843 -4.080 1.00 1.00 H new ATOM 0 HD3 LYS A 89 -5.007 -12.878 -3.081 1.00 1.00 H new ATOM 0 HE2 LYS A 89 -3.738 -10.826 -3.684 1.00 1.22 H new ATOM 0 HE3 LYS A 89 -2.637 -11.781 -4.656 1.00 1.22 H new ATOM 0 HZ1 LYS A 89 -4.331 -10.741 -6.019 1.00 1.52 H new ATOM 0 HZ2 LYS A 89 -4.497 -12.430 -6.077 1.00 1.52 H new ATOM 0 HZ3 LYS A 89 -5.564 -11.504 -5.136 1.00 1.52 H new ATOM 1457 N LYS A 90 0.366 -15.486 -0.408 1.00 0.56 N ATOM 1458 CA LYS A 90 1.780 -15.587 -0.844 1.00 0.55 C ATOM 1459 C LYS A 90 1.952 -16.757 -1.838 1.00 0.55 C ATOM 1460 O LYS A 90 2.728 -16.655 -2.790 1.00 0.60 O ATOM 1461 CB LYS A 90 2.761 -15.740 0.352 1.00 0.61 C ATOM 1462 CG LYS A 90 2.449 -16.885 1.343 1.00 0.71 C ATOM 1463 CD LYS A 90 1.742 -16.400 2.620 1.00 0.97 C ATOM 1464 CE LYS A 90 2.720 -15.910 3.695 1.00 1.39 C ATOM 1465 NZ LYS A 90 3.568 -17.011 4.251 1.00 1.87 N ATOM 0 H LYS A 90 0.163 -15.971 0.466 1.00 0.56 H new ATOM 0 HA LYS A 90 2.031 -14.651 -1.343 1.00 0.55 H new ATOM 0 HB2 LYS A 90 3.765 -15.893 -0.045 1.00 0.61 H new ATOM 0 HB3 LYS A 90 2.777 -14.801 0.906 1.00 0.61 H new ATOM 0 HG2 LYS A 90 1.823 -17.626 0.847 1.00 0.71 H new ATOM 0 HG3 LYS A 90 3.378 -17.384 1.616 1.00 0.71 H new ATOM 0 HD2 LYS A 90 1.056 -15.592 2.365 1.00 0.97 H new ATOM 0 HD3 LYS A 90 1.140 -17.213 3.027 1.00 0.97 H new ATOM 0 HE2 LYS A 90 3.364 -15.140 3.270 1.00 1.39 H new ATOM 0 HE3 LYS A 90 2.159 -15.445 4.505 1.00 1.39 H new ATOM 0 HZ1 LYS A 90 4.007 -16.696 5.140 1.00 1.87 H new ATOM 0 HZ2 LYS A 90 2.976 -17.846 4.434 1.00 1.87 H new ATOM 0 HZ3 LYS A 90 4.311 -17.256 3.566 1.00 1.87 H new ATOM 1479 N LYS A 91 1.220 -17.863 -1.592 1.00 0.57 N ATOM 1480 CA LYS A 91 1.249 -19.064 -2.442 1.00 0.64 C ATOM 1481 C LYS A 91 -0.209 -19.490 -2.710 1.00 0.69 C ATOM 1482 O LYS A 91 -0.721 -20.425 -2.083 1.00 0.71 O ATOM 1483 CB LYS A 91 2.056 -20.211 -1.767 1.00 0.72 C ATOM 1484 CG LYS A 91 3.463 -19.817 -1.285 1.00 0.85 C ATOM 1485 CD LYS A 91 4.065 -20.852 -0.320 1.00 0.97 C ATOM 1486 CE LYS A 91 5.259 -20.298 0.481 1.00 1.29 C ATOM 1487 NZ LYS A 91 6.579 -20.788 -0.018 1.00 1.53 N ATOM 0 H LYS A 91 0.590 -17.945 -0.794 1.00 0.57 H new ATOM 0 HA LYS A 91 1.751 -18.842 -3.384 1.00 0.64 H new ATOM 0 HB2 LYS A 91 1.487 -20.583 -0.915 1.00 0.72 H new ATOM 0 HB3 LYS A 91 2.148 -21.036 -2.474 1.00 0.72 H new ATOM 0 HG2 LYS A 91 4.120 -19.703 -2.147 1.00 0.85 H new ATOM 0 HG3 LYS A 91 3.416 -18.847 -0.790 1.00 0.85 H new ATOM 0 HD2 LYS A 91 3.293 -21.188 0.373 1.00 0.97 H new ATOM 0 HD3 LYS A 91 4.387 -21.726 -0.886 1.00 0.97 H new ATOM 0 HE2 LYS A 91 5.243 -19.209 0.438 1.00 1.29 H new ATOM 0 HE3 LYS A 91 5.147 -20.578 1.529 1.00 1.29 H new ATOM 0 HZ1 LYS A 91 7.342 -20.381 0.560 1.00 1.53 H new ATOM 0 HZ2 LYS A 91 6.611 -21.825 0.047 1.00 1.53 H new ATOM 0 HZ3 LYS A 91 6.704 -20.499 -1.009 1.00 1.53 H new ATOM 1501 N ASP A 92 -0.876 -18.759 -3.634 1.00 0.78 N ATOM 1502 CA ASP A 92 -2.300 -18.995 -3.988 1.00 0.87 C ATOM 1503 C ASP A 92 -2.643 -20.469 -4.300 1.00 1.03 C ATOM 1504 O ASP A 92 -3.717 -20.935 -3.906 1.00 1.81 O ATOM 1505 CB ASP A 92 -2.740 -18.077 -5.154 1.00 0.89 C ATOM 1506 CG ASP A 92 -1.891 -18.222 -6.416 1.00 0.98 C ATOM 1507 OD1 ASP A 92 -0.768 -17.674 -6.440 1.00 1.01 O ATOM 1508 OD2 ASP A 92 -2.356 -18.875 -7.374 1.00 1.18 O ATOM 0 H ASP A 92 -0.447 -17.993 -4.154 1.00 0.78 H new ATOM 0 HA ASP A 92 -2.865 -18.742 -3.091 1.00 0.87 H new ATOM 0 HB2 ASP A 92 -3.779 -18.294 -5.401 1.00 0.89 H new ATOM 0 HB3 ASP A 92 -2.702 -17.040 -4.820 1.00 0.89 H new ATOM 1513 N LEU A 93 -1.742 -21.197 -4.992 1.00 0.67 N ATOM 1514 CA LEU A 93 -1.987 -22.609 -5.342 1.00 0.70 C ATOM 1515 C LEU A 93 -1.103 -23.555 -4.492 1.00 0.70 C ATOM 1516 O LEU A 93 -0.339 -24.371 -5.027 1.00 0.79 O ATOM 1517 CB LEU A 93 -1.767 -22.819 -6.862 1.00 0.77 C ATOM 1518 CG LEU A 93 -2.584 -23.965 -7.508 1.00 0.97 C ATOM 1519 CD1 LEU A 93 -4.068 -23.591 -7.627 1.00 1.24 C ATOM 1520 CD2 LEU A 93 -2.016 -24.327 -8.881 1.00 1.15 C ATOM 0 H LEU A 93 -0.846 -20.833 -5.316 1.00 0.67 H new ATOM 0 HA LEU A 93 -3.023 -22.858 -5.113 1.00 0.70 H new ATOM 0 HB2 LEU A 93 -2.010 -21.890 -7.377 1.00 0.77 H new ATOM 0 HB3 LEU A 93 -0.708 -23.011 -7.034 1.00 0.77 H new ATOM 0 HG LEU A 93 -2.505 -24.836 -6.857 1.00 0.97 H new ATOM 0 HD11 LEU A 93 -4.615 -24.415 -8.084 1.00 1.24 H new ATOM 0 HD12 LEU A 93 -4.474 -23.392 -6.635 1.00 1.24 H new ATOM 0 HD13 LEU A 93 -4.170 -22.700 -8.246 1.00 1.24 H new ATOM 0 HD21 LEU A 93 -2.605 -25.134 -9.317 1.00 1.15 H new ATOM 0 HD22 LEU A 93 -2.057 -23.455 -9.533 1.00 1.15 H new ATOM 0 HD23 LEU A 93 -0.981 -24.651 -8.773 1.00 1.15 H new ATOM 1532 N LYS A 94 -1.227 -23.438 -3.153 1.00 0.70 N ATOM 1533 CA LYS A 94 -0.454 -24.267 -2.200 1.00 0.77 C ATOM 1534 C LYS A 94 -1.080 -24.201 -0.785 1.00 0.71 C ATOM 1535 O LYS A 94 -1.348 -25.240 -0.173 1.00 0.77 O ATOM 1536 CB LYS A 94 1.029 -23.805 -2.170 1.00 0.92 C ATOM 1537 CG LYS A 94 1.997 -24.735 -1.426 1.00 1.09 C ATOM 1538 CD LYS A 94 2.148 -26.107 -2.103 1.00 1.23 C ATOM 1539 CE LYS A 94 3.349 -26.890 -1.566 1.00 1.57 C ATOM 1540 NZ LYS A 94 3.232 -27.200 -0.107 1.00 1.73 N ATOM 0 H LYS A 94 -1.858 -22.774 -2.704 1.00 0.70 H new ATOM 0 HA LYS A 94 -0.487 -25.304 -2.534 1.00 0.77 H new ATOM 0 HB2 LYS A 94 1.377 -23.693 -3.197 1.00 0.92 H new ATOM 0 HB3 LYS A 94 1.074 -22.818 -1.709 1.00 0.92 H new ATOM 0 HG2 LYS A 94 2.975 -24.257 -1.362 1.00 1.09 H new ATOM 0 HG3 LYS A 94 1.644 -24.876 -0.404 1.00 1.09 H new ATOM 0 HD2 LYS A 94 1.239 -26.688 -1.948 1.00 1.23 H new ATOM 0 HD3 LYS A 94 2.258 -25.969 -3.179 1.00 1.23 H new ATOM 0 HE2 LYS A 94 3.449 -27.821 -2.124 1.00 1.57 H new ATOM 0 HE3 LYS A 94 4.259 -26.315 -1.739 1.00 1.57 H new ATOM 0 HZ1 LYS A 94 4.071 -27.730 0.204 1.00 1.73 H new ATOM 0 HZ2 LYS A 94 3.164 -26.313 0.432 1.00 1.73 H new ATOM 0 HZ3 LYS A 94 2.380 -27.772 0.059 1.00 1.73 H new ATOM 1554 N ILE A 95 -1.298 -22.966 -0.279 1.00 0.68 N ATOM 1555 CA ILE A 95 -1.900 -22.730 1.052 1.00 0.67 C ATOM 1556 C ILE A 95 -3.025 -21.678 0.955 1.00 0.67 C ATOM 1557 O ILE A 95 -2.793 -20.563 0.474 1.00 0.77 O ATOM 1558 CB ILE A 95 -0.838 -22.282 2.120 1.00 0.75 C ATOM 1559 CG1 ILE A 95 0.172 -21.258 1.528 1.00 0.87 C ATOM 1560 CG2 ILE A 95 -0.108 -23.509 2.685 1.00 0.85 C ATOM 1561 CD1 ILE A 95 1.072 -20.582 2.550 1.00 1.06 C ATOM 0 H ILE A 95 -1.063 -22.109 -0.780 1.00 0.68 H new ATOM 0 HA ILE A 95 -2.317 -23.681 1.385 1.00 0.67 H new ATOM 0 HB ILE A 95 -1.365 -21.782 2.933 1.00 0.75 H new ATOM 0 HG12 ILE A 95 0.798 -21.769 0.796 1.00 0.87 H new ATOM 0 HG13 ILE A 95 -0.384 -20.490 0.991 1.00 0.87 H new ATOM 0 HG21 ILE A 95 0.626 -23.187 3.424 1.00 0.85 H new ATOM 0 HG22 ILE A 95 -0.829 -24.176 3.156 1.00 0.85 H new ATOM 0 HG23 ILE A 95 0.399 -24.035 1.876 1.00 0.85 H new ATOM 0 HD11 ILE A 95 1.741 -19.887 2.043 1.00 1.06 H new ATOM 0 HD12 ILE A 95 0.461 -20.038 3.270 1.00 1.06 H new ATOM 0 HD13 ILE A 95 1.661 -21.336 3.072 1.00 1.06 H new ATOM 1573 N ARG A 96 -4.245 -22.051 1.406 1.00 0.71 N ATOM 1574 CA ARG A 96 -5.415 -21.148 1.364 1.00 0.77 C ATOM 1575 C ARG A 96 -6.145 -21.054 2.730 1.00 0.77 C ATOM 1576 O ARG A 96 -7.359 -20.816 2.770 1.00 0.93 O ATOM 1577 CB ARG A 96 -6.389 -21.597 0.247 1.00 0.93 C ATOM 1578 CG ARG A 96 -6.966 -23.008 0.414 1.00 1.05 C ATOM 1579 CD ARG A 96 -8.041 -23.309 -0.630 1.00 1.26 C ATOM 1580 NE ARG A 96 -9.250 -22.475 -0.450 1.00 1.40 N ATOM 1581 CZ ARG A 96 -10.073 -22.062 -1.442 1.00 1.83 C ATOM 1582 NH1 ARG A 96 -9.904 -22.469 -2.709 1.00 2.26 N ATOM 1583 NH2 ARG A 96 -11.096 -21.251 -1.155 1.00 2.18 N ATOM 0 H ARG A 96 -4.443 -22.970 1.802 1.00 0.71 H new ATOM 0 HA ARG A 96 -5.048 -20.146 1.141 1.00 0.77 H new ATOM 0 HB2 ARG A 96 -7.215 -20.887 0.200 1.00 0.93 H new ATOM 0 HB3 ARG A 96 -5.869 -21.545 -0.709 1.00 0.93 H new ATOM 0 HG2 ARG A 96 -6.164 -23.741 0.331 1.00 1.05 H new ATOM 0 HG3 ARG A 96 -7.390 -23.111 1.413 1.00 1.05 H new ATOM 0 HD2 ARG A 96 -7.633 -23.142 -1.627 1.00 1.26 H new ATOM 0 HD3 ARG A 96 -8.317 -24.362 -0.571 1.00 1.26 H new ATOM 0 HE ARG A 96 -9.482 -22.187 0.501 1.00 1.40 H new ATOM 0 HH11 ARG A 96 -9.141 -23.104 -2.943 1.00 2.26 H new ATOM 0 HH12 ARG A 96 -10.538 -22.143 -3.438 1.00 2.26 H new ATOM 0 HH21 ARG A 96 -11.252 -20.948 -0.194 1.00 2.18 H new ATOM 0 HH22 ARG A 96 -11.720 -20.936 -1.897 1.00 2.18 H new ATOM 1597 N LYS A 97 -5.406 -21.223 3.845 1.00 0.72 N ATOM 1598 CA LYS A 97 -5.998 -21.147 5.196 1.00 0.75 C ATOM 1599 C LYS A 97 -4.942 -20.750 6.247 1.00 0.74 C ATOM 1600 O LYS A 97 -4.322 -21.609 6.887 1.00 0.95 O ATOM 1601 CB LYS A 97 -6.716 -22.472 5.574 1.00 0.87 C ATOM 1602 CG LYS A 97 -5.909 -23.754 5.335 1.00 0.94 C ATOM 1603 CD LYS A 97 -6.687 -25.002 5.762 1.00 1.10 C ATOM 1604 CE LYS A 97 -5.925 -26.298 5.472 1.00 1.36 C ATOM 1605 NZ LYS A 97 -4.723 -26.480 6.346 1.00 1.74 N ATOM 0 H LYS A 97 -4.404 -21.412 3.837 1.00 0.72 H new ATOM 0 HA LYS A 97 -6.755 -20.362 5.184 1.00 0.75 H new ATOM 0 HB2 LYS A 97 -6.990 -22.428 6.628 1.00 0.87 H new ATOM 0 HB3 LYS A 97 -7.644 -22.537 5.006 1.00 0.87 H new ATOM 0 HG2 LYS A 97 -5.651 -23.830 4.279 1.00 0.94 H new ATOM 0 HG3 LYS A 97 -4.972 -23.702 5.889 1.00 0.94 H new ATOM 0 HD2 LYS A 97 -6.904 -24.943 6.829 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -7.645 -25.024 5.243 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -6.597 -27.146 5.607 1.00 1.36 H new ATOM 0 HE3 LYS A 97 -5.612 -26.303 4.428 1.00 1.36 H new ATOM 0 HZ1 LYS A 97 -4.249 -27.373 6.103 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 -4.065 -25.688 6.200 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 -5.019 -26.505 7.343 1.00 1.74 H new ATOM 1619 N LYS A 98 -4.735 -19.424 6.402 1.00 0.69 N ATOM 1620 CA LYS A 98 -3.763 -18.873 7.358 1.00 0.72 C ATOM 1621 C LYS A 98 -4.451 -17.885 8.311 1.00 0.76 C ATOM 1622 O LYS A 98 -4.423 -18.059 9.530 1.00 0.98 O ATOM 1623 CB LYS A 98 -2.611 -18.183 6.595 1.00 0.88 C ATOM 1624 CG LYS A 98 -1.446 -17.729 7.482 1.00 1.04 C ATOM 1625 CD LYS A 98 -0.330 -17.064 6.672 1.00 1.35 C ATOM 1626 CE LYS A 98 0.737 -16.427 7.565 1.00 1.61 C ATOM 1627 NZ LYS A 98 1.488 -17.432 8.380 1.00 1.71 N ATOM 0 H LYS A 98 -5.236 -18.713 5.869 1.00 0.69 H new ATOM 0 HA LYS A 98 -3.350 -19.687 7.954 1.00 0.72 H new ATOM 0 HB2 LYS A 98 -2.230 -18.869 5.839 1.00 0.88 H new ATOM 0 HB3 LYS A 98 -3.009 -17.316 6.067 1.00 0.88 H new ATOM 0 HG2 LYS A 98 -1.814 -17.030 8.233 1.00 1.04 H new ATOM 0 HG3 LYS A 98 -1.042 -18.588 8.017 1.00 1.04 H new ATOM 0 HD2 LYS A 98 0.137 -17.806 6.025 1.00 1.35 H new ATOM 0 HD3 LYS A 98 -0.760 -16.301 6.023 1.00 1.35 H new ATOM 0 HE2 LYS A 98 1.440 -15.872 6.944 1.00 1.61 H new ATOM 0 HE3 LYS A 98 0.263 -15.707 8.232 1.00 1.61 H new ATOM 0 HZ1 LYS A 98 2.208 -16.947 8.952 1.00 1.71 H new ATOM 0 HZ2 LYS A 98 0.827 -17.934 9.007 1.00 1.71 H new ATOM 0 HZ3 LYS A 98 1.951 -18.115 7.748 1.00 1.71 H new ATOM 1642 N MET B 1 -5.479 -17.654 3.203 1.00 0.85 N ATOM 1643 CA MET B 1 -6.412 -16.667 2.660 1.00 0.86 C ATOM 1644 C MET B 1 -6.684 -15.522 3.663 1.00 0.76 C ATOM 1645 O MET B 1 -6.978 -14.398 3.247 1.00 0.93 O ATOM 1646 CB MET B 1 -7.733 -17.344 2.224 1.00 1.04 C ATOM 1647 CG MET B 1 -8.575 -17.927 3.364 1.00 1.09 C ATOM 1648 SD MET B 1 -10.046 -18.803 2.788 1.00 1.44 S ATOM 1649 CE MET B 1 -10.828 -19.215 4.346 1.00 1.75 C ATOM 0 H1 MET B 1 -5.269 -18.369 2.478 1.00 0.85 H new ATOM 0 H2 MET B 1 -4.598 -17.180 3.487 1.00 0.85 H new ATOM 0 H3 MET B 1 -5.906 -18.116 4.031 1.00 0.85 H new ATOM 0 HA MET B 1 -5.945 -16.224 1.780 1.00 0.86 H new ATOM 0 HB2 MET B 1 -8.336 -16.613 1.685 1.00 1.04 H new ATOM 0 HB3 MET B 1 -7.498 -18.144 1.522 1.00 1.04 H new ATOM 0 HG2 MET B 1 -7.959 -18.610 3.949 1.00 1.09 H new ATOM 0 HG3 MET B 1 -8.879 -17.121 4.032 1.00 1.09 H new ATOM 0 HE1 MET B 1 -11.752 -19.761 4.156 1.00 1.75 H new ATOM 0 HE2 MET B 1 -10.155 -19.836 4.938 1.00 1.75 H new ATOM 0 HE3 MET B 1 -11.053 -18.300 4.894 1.00 1.75 H new ATOM 1659 N ALA B 2 -6.605 -15.824 4.980 1.00 0.73 N ATOM 1660 CA ALA B 2 -6.832 -14.826 6.042 1.00 0.67 C ATOM 1661 C ALA B 2 -5.514 -14.180 6.496 1.00 0.60 C ATOM 1662 O ALA B 2 -4.469 -14.840 6.518 1.00 0.68 O ATOM 1663 CB ALA B 2 -7.544 -15.471 7.231 1.00 0.78 C ATOM 0 H ALA B 2 -6.384 -16.756 5.330 1.00 0.73 H new ATOM 0 HA ALA B 2 -7.465 -14.039 5.632 1.00 0.67 H new ATOM 0 HB1 ALA B 2 -7.705 -14.723 8.008 1.00 0.78 H new ATOM 0 HB2 ALA B 2 -8.505 -15.871 6.907 1.00 0.78 H new ATOM 0 HB3 ALA B 2 -6.930 -16.280 7.628 1.00 0.78 H new ATOM 1669 N ALA B 3 -5.577 -12.885 6.866 1.00 0.57 N ATOM 1670 CA ALA B 3 -4.396 -12.131 7.322 1.00 0.57 C ATOM 1671 C ALA B 3 -4.229 -12.248 8.851 1.00 0.58 C ATOM 1672 O ALA B 3 -5.121 -11.842 9.605 1.00 0.69 O ATOM 1673 CB ALA B 3 -4.515 -10.670 6.883 1.00 0.64 C ATOM 0 H ALA B 3 -6.439 -12.339 6.857 1.00 0.57 H new ATOM 0 HA ALA B 3 -3.503 -12.556 6.865 1.00 0.57 H new ATOM 0 HB1 ALA B 3 -3.640 -10.116 7.222 1.00 0.64 H new ATOM 0 HB2 ALA B 3 -4.577 -10.621 5.796 1.00 0.64 H new ATOM 0 HB3 ALA B 3 -5.413 -10.231 7.318 1.00 0.64 H new ATOM 1679 N GLU B 4 -3.081 -12.804 9.301 1.00 0.56 N ATOM 1680 CA GLU B 4 -2.798 -13.010 10.742 1.00 0.59 C ATOM 1681 C GLU B 4 -1.603 -12.144 11.220 1.00 0.56 C ATOM 1682 O GLU B 4 -0.628 -11.986 10.476 1.00 0.54 O ATOM 1683 CB GLU B 4 -2.509 -14.509 10.977 1.00 0.66 C ATOM 1684 CG GLU B 4 -2.509 -14.944 12.443 1.00 0.79 C ATOM 1685 CD GLU B 4 -2.226 -16.426 12.624 1.00 0.91 C ATOM 1686 OE1 GLU B 4 -3.185 -17.225 12.565 1.00 1.10 O ATOM 1687 OE2 GLU B 4 -1.047 -16.789 12.821 1.00 1.00 O ATOM 0 H GLU B 4 -2.332 -13.120 8.685 1.00 0.56 H new ATOM 0 HA GLU B 4 -3.667 -12.700 11.322 1.00 0.59 H new ATOM 0 HB2 GLU B 4 -3.254 -15.096 10.439 1.00 0.66 H new ATOM 0 HB3 GLU B 4 -1.539 -14.749 10.542 1.00 0.66 H new ATOM 0 HG2 GLU B 4 -1.760 -14.368 12.987 1.00 0.79 H new ATOM 0 HG3 GLU B 4 -3.477 -14.708 12.886 1.00 0.79 H new ATOM 1694 N PRO B 5 -1.659 -11.559 12.471 1.00 0.62 N ATOM 1695 CA PRO B 5 -0.560 -10.733 13.013 1.00 0.65 C ATOM 1696 C PRO B 5 0.615 -11.577 13.549 1.00 0.59 C ATOM 1697 O PRO B 5 0.402 -12.544 14.291 1.00 0.68 O ATOM 1698 CB PRO B 5 -1.231 -9.936 14.144 1.00 0.83 C ATOM 1699 CG PRO B 5 -2.395 -10.755 14.587 1.00 0.80 C ATOM 1700 CD PRO B 5 -2.797 -11.635 13.427 1.00 0.73 C ATOM 0 HA PRO B 5 -0.111 -10.103 12.245 1.00 0.65 H new ATOM 0 HB2 PRO B 5 -0.537 -9.767 14.967 1.00 0.83 H new ATOM 0 HB3 PRO B 5 -1.554 -8.956 13.793 1.00 0.83 H new ATOM 0 HG2 PRO B 5 -2.130 -11.360 15.454 1.00 0.80 H new ATOM 0 HG3 PRO B 5 -3.224 -10.113 14.887 1.00 0.80 H new ATOM 0 HD2 PRO B 5 -2.971 -12.661 13.752 1.00 0.73 H new ATOM 0 HD3 PRO B 5 -3.722 -11.285 12.968 1.00 0.73 H new ATOM 1708 N LEU B 6 1.853 -11.197 13.165 1.00 0.61 N ATOM 1709 CA LEU B 6 3.076 -11.908 13.589 1.00 0.70 C ATOM 1710 C LEU B 6 4.137 -10.924 14.130 1.00 0.73 C ATOM 1711 O LEU B 6 4.544 -11.031 15.289 1.00 1.24 O ATOM 1712 CB LEU B 6 3.655 -12.723 12.406 1.00 0.87 C ATOM 1713 CG LEU B 6 2.770 -13.877 11.871 1.00 0.95 C ATOM 1714 CD1 LEU B 6 3.340 -14.437 10.562 1.00 1.18 C ATOM 1715 CD2 LEU B 6 2.618 -14.989 12.914 1.00 1.08 C ATOM 0 H LEU B 6 2.031 -10.397 12.558 1.00 0.61 H new ATOM 0 HA LEU B 6 2.808 -12.590 14.396 1.00 0.70 H new ATOM 0 HB2 LEU B 6 3.857 -12.037 11.584 1.00 0.87 H new ATOM 0 HB3 LEU B 6 4.613 -13.141 12.715 1.00 0.87 H new ATOM 0 HG LEU B 6 1.779 -13.470 11.668 1.00 0.95 H new ATOM 0 HD11 LEU B 6 2.703 -15.246 10.204 1.00 1.18 H new ATOM 0 HD12 LEU B 6 3.376 -13.646 9.813 1.00 1.18 H new ATOM 0 HD13 LEU B 6 4.346 -14.818 10.737 1.00 1.18 H new ATOM 0 HD21 LEU B 6 1.992 -15.784 12.509 1.00 1.08 H new ATOM 0 HD22 LEU B 6 3.600 -15.391 13.163 1.00 1.08 H new ATOM 0 HD23 LEU B 6 2.154 -14.584 13.813 1.00 1.08 H new ATOM 1727 N THR B 7 4.575 -9.977 13.275 1.00 0.52 N ATOM 1728 CA THR B 7 5.590 -8.966 13.630 1.00 0.50 C ATOM 1729 C THR B 7 4.991 -7.547 13.490 1.00 0.48 C ATOM 1730 O THR B 7 3.934 -7.390 12.878 1.00 0.53 O ATOM 1731 CB THR B 7 6.850 -9.137 12.721 1.00 0.53 C ATOM 1732 OG1 THR B 7 7.188 -10.529 12.627 1.00 0.92 O ATOM 1733 CG2 THR B 7 8.069 -8.376 13.252 1.00 1.06 C ATOM 0 H THR B 7 4.234 -9.892 12.318 1.00 0.52 H new ATOM 0 HA THR B 7 5.896 -9.106 14.667 1.00 0.50 H new ATOM 0 HB THR B 7 6.595 -8.725 11.744 1.00 0.53 H new ATOM 0 HG1 THR B 7 6.864 -10.887 11.774 1.00 0.92 H new ATOM 0 HG21 THR B 7 8.915 -8.530 12.582 1.00 1.06 H new ATOM 0 HG22 THR B 7 7.838 -7.312 13.306 1.00 1.06 H new ATOM 0 HG23 THR B 7 8.322 -8.743 14.246 1.00 1.06 H new ATOM 1741 N GLU B 8 5.660 -6.519 14.067 1.00 0.49 N ATOM 1742 CA GLU B 8 5.182 -5.112 14.012 1.00 0.49 C ATOM 1743 C GLU B 8 4.851 -4.641 12.572 1.00 0.44 C ATOM 1744 O GLU B 8 3.737 -4.171 12.322 1.00 0.47 O ATOM 1745 CB GLU B 8 6.221 -4.163 14.656 1.00 0.54 C ATOM 1746 CG GLU B 8 5.728 -2.727 14.864 1.00 0.95 C ATOM 1747 CD GLU B 8 6.715 -1.863 15.631 1.00 1.01 C ATOM 1748 OE1 GLU B 8 6.818 -2.032 16.865 1.00 1.51 O ATOM 1749 OE2 GLU B 8 7.380 -1.016 15.001 1.00 1.29 O ATOM 0 H GLU B 8 6.535 -6.637 14.578 1.00 0.49 H new ATOM 0 HA GLU B 8 4.252 -5.077 14.579 1.00 0.49 H new ATOM 0 HB2 GLU B 8 6.521 -4.574 15.620 1.00 0.54 H new ATOM 0 HB3 GLU B 8 7.112 -4.140 14.028 1.00 0.54 H new ATOM 0 HG2 GLU B 8 5.534 -2.272 13.893 1.00 0.95 H new ATOM 0 HG3 GLU B 8 4.780 -2.749 15.401 1.00 0.95 H new ATOM 1756 N LEU B 9 5.818 -4.781 11.637 1.00 0.42 N ATOM 1757 CA LEU B 9 5.630 -4.363 10.227 1.00 0.39 C ATOM 1758 C LEU B 9 4.582 -5.233 9.499 1.00 0.38 C ATOM 1759 O LEU B 9 3.837 -4.719 8.657 1.00 0.39 O ATOM 1760 CB LEU B 9 6.973 -4.386 9.464 1.00 0.41 C ATOM 1761 CG LEU B 9 8.025 -3.344 9.914 1.00 0.50 C ATOM 1762 CD1 LEU B 9 9.394 -3.663 9.313 1.00 0.63 C ATOM 1763 CD2 LEU B 9 7.594 -1.917 9.541 1.00 0.65 C ATOM 0 H LEU B 9 6.736 -5.180 11.832 1.00 0.42 H new ATOM 0 HA LEU B 9 5.252 -3.341 10.244 1.00 0.39 H new ATOM 0 HB2 LEU B 9 7.409 -5.380 9.565 1.00 0.41 H new ATOM 0 HB3 LEU B 9 6.769 -4.233 8.404 1.00 0.41 H new ATOM 0 HG LEU B 9 8.101 -3.399 11.000 1.00 0.50 H new ATOM 0 HD11 LEU B 9 10.118 -2.918 9.642 1.00 0.63 H new ATOM 0 HD12 LEU B 9 9.715 -4.651 9.642 1.00 0.63 H new ATOM 0 HD13 LEU B 9 9.326 -3.647 8.225 1.00 0.63 H new ATOM 0 HD21 LEU B 9 8.354 -1.209 9.871 1.00 0.65 H new ATOM 0 HD22 LEU B 9 7.475 -1.844 8.460 1.00 0.65 H new ATOM 0 HD23 LEU B 9 6.647 -1.684 10.027 1.00 0.65 H new ATOM 1775 N GLU B 10 4.530 -6.548 9.815 1.00 0.39 N ATOM 1776 CA GLU B 10 3.537 -7.467 9.210 1.00 0.41 C ATOM 1777 C GLU B 10 2.123 -7.151 9.738 1.00 0.42 C ATOM 1778 O GLU B 10 1.146 -7.226 8.990 1.00 0.47 O ATOM 1779 CB GLU B 10 3.882 -8.940 9.507 1.00 0.46 C ATOM 1780 CG GLU B 10 5.198 -9.411 8.899 1.00 0.50 C ATOM 1781 CD GLU B 10 5.446 -10.896 9.097 1.00 0.56 C ATOM 1782 OE1 GLU B 10 4.954 -11.696 8.275 1.00 0.95 O ATOM 1783 OE2 GLU B 10 6.130 -11.257 10.078 1.00 0.95 O ATOM 0 H GLU B 10 5.160 -6.995 10.481 1.00 0.39 H new ATOM 0 HA GLU B 10 3.564 -7.318 8.131 1.00 0.41 H new ATOM 0 HB2 GLU B 10 3.923 -9.081 10.587 1.00 0.46 H new ATOM 0 HB3 GLU B 10 3.076 -9.572 9.134 1.00 0.46 H new ATOM 0 HG2 GLU B 10 5.200 -9.187 7.832 1.00 0.50 H new ATOM 0 HG3 GLU B 10 6.019 -8.849 9.344 1.00 0.50 H new ATOM 1790 N GLU B 11 2.039 -6.786 11.038 1.00 0.42 N ATOM 1791 CA GLU B 11 0.768 -6.436 11.700 1.00 0.45 C ATOM 1792 C GLU B 11 0.211 -5.096 11.170 1.00 0.43 C ATOM 1793 O GLU B 11 -1.004 -4.949 11.039 1.00 0.45 O ATOM 1794 CB GLU B 11 0.962 -6.385 13.234 1.00 0.51 C ATOM 1795 CG GLU B 11 -0.311 -6.106 14.040 1.00 0.62 C ATOM 1796 CD GLU B 11 -0.080 -6.155 15.542 1.00 0.70 C ATOM 1797 OE1 GLU B 11 0.480 -5.180 16.090 1.00 0.85 O ATOM 1798 OE2 GLU B 11 -0.458 -7.168 16.170 1.00 0.82 O ATOM 0 H GLU B 11 2.850 -6.727 11.653 1.00 0.42 H new ATOM 0 HA GLU B 11 0.037 -7.210 11.467 1.00 0.45 H new ATOM 0 HB2 GLU B 11 1.381 -7.336 13.564 1.00 0.51 H new ATOM 0 HB3 GLU B 11 1.697 -5.615 13.467 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -0.700 -5.124 13.769 1.00 0.62 H new ATOM 0 HG3 GLU B 11 -1.074 -6.836 13.770 1.00 0.62 H new ATOM 1805 N SER B 12 1.106 -4.123 10.866 1.00 0.43 N ATOM 1806 CA SER B 12 0.693 -2.799 10.338 1.00 0.44 C ATOM 1807 C SER B 12 -0.160 -2.939 9.062 1.00 0.42 C ATOM 1808 O SER B 12 -1.248 -2.367 8.981 1.00 0.47 O ATOM 1809 CB SER B 12 1.917 -1.914 10.050 1.00 0.48 C ATOM 1810 OG SER B 12 2.650 -1.649 11.236 1.00 0.56 O ATOM 0 H SER B 12 2.114 -4.230 10.977 1.00 0.43 H new ATOM 0 HA SER B 12 0.085 -2.323 11.108 1.00 0.44 H new ATOM 0 HB2 SER B 12 2.562 -2.407 9.323 1.00 0.48 H new ATOM 0 HB3 SER B 12 1.592 -0.975 9.603 1.00 0.48 H new ATOM 0 HG SER B 12 3.021 -2.486 11.585 1.00 0.56 H new ATOM 1816 N ILE B 13 0.335 -3.717 8.077 1.00 0.40 N ATOM 1817 CA ILE B 13 -0.398 -3.945 6.811 1.00 0.41 C ATOM 1818 C ILE B 13 -1.528 -4.989 6.965 1.00 0.41 C ATOM 1819 O ILE B 13 -2.476 -4.985 6.179 1.00 0.48 O ATOM 1820 CB ILE B 13 0.550 -4.321 5.612 1.00 0.46 C ATOM 1821 CG1 ILE B 13 1.506 -5.514 5.916 1.00 0.45 C ATOM 1822 CG2 ILE B 13 1.359 -3.097 5.180 1.00 0.53 C ATOM 1823 CD1 ILE B 13 0.869 -6.886 5.806 1.00 0.45 C ATOM 0 H ILE B 13 1.234 -4.196 8.132 1.00 0.40 H new ATOM 0 HA ILE B 13 -0.859 -2.988 6.568 1.00 0.41 H new ATOM 0 HB ILE B 13 -0.100 -4.650 4.801 1.00 0.46 H new ATOM 0 HG12 ILE B 13 2.352 -5.466 5.231 1.00 0.45 H new ATOM 0 HG13 ILE B 13 1.904 -5.394 6.923 1.00 0.45 H new ATOM 0 HG21 ILE B 13 2.012 -3.367 4.350 1.00 0.53 H new ATOM 0 HG22 ILE B 13 0.680 -2.305 4.865 1.00 0.53 H new ATOM 0 HG23 ILE B 13 1.962 -2.746 6.017 1.00 0.53 H new ATOM 0 HD11 ILE B 13 1.611 -7.651 6.035 1.00 0.45 H new ATOM 0 HD12 ILE B 13 0.041 -6.960 6.511 1.00 0.45 H new ATOM 0 HD13 ILE B 13 0.496 -7.034 4.792 1.00 0.45 H new ATOM 1835 N GLU B 14 -1.422 -5.878 7.981 1.00 0.40 N ATOM 1836 CA GLU B 14 -2.443 -6.917 8.250 1.00 0.43 C ATOM 1837 C GLU B 14 -3.711 -6.291 8.870 1.00 0.45 C ATOM 1838 O GLU B 14 -4.824 -6.732 8.568 1.00 0.48 O ATOM 1839 CB GLU B 14 -1.853 -8.013 9.172 1.00 0.46 C ATOM 1840 CG GLU B 14 -2.849 -9.072 9.682 1.00 0.57 C ATOM 1841 CD GLU B 14 -3.473 -8.742 11.037 1.00 0.64 C ATOM 1842 OE1 GLU B 14 -2.777 -8.157 11.896 1.00 0.92 O ATOM 1843 OE2 GLU B 14 -4.659 -9.074 11.239 1.00 1.00 O ATOM 0 H GLU B 14 -0.635 -5.895 8.630 1.00 0.40 H new ATOM 0 HA GLU B 14 -2.731 -7.379 7.306 1.00 0.43 H new ATOM 0 HB2 GLU B 14 -1.055 -8.523 8.633 1.00 0.46 H new ATOM 0 HB3 GLU B 14 -1.396 -7.528 10.034 1.00 0.46 H new ATOM 0 HG2 GLU B 14 -3.645 -9.190 8.947 1.00 0.57 H new ATOM 0 HG3 GLU B 14 -2.337 -10.032 9.754 1.00 0.57 H new ATOM 1850 N THR B 15 -3.532 -5.274 9.744 1.00 0.45 N ATOM 1851 CA THR B 15 -4.662 -4.578 10.396 1.00 0.49 C ATOM 1852 C THR B 15 -5.550 -3.848 9.362 1.00 0.47 C ATOM 1853 O THR B 15 -6.764 -3.785 9.535 1.00 0.50 O ATOM 1854 CB THR B 15 -4.173 -3.565 11.477 1.00 0.54 C ATOM 1855 OG1 THR B 15 -3.230 -4.201 12.352 1.00 0.75 O ATOM 1856 CG2 THR B 15 -5.329 -3.016 12.318 1.00 0.88 C ATOM 0 H THR B 15 -2.615 -4.918 10.013 1.00 0.45 H new ATOM 0 HA THR B 15 -5.257 -5.347 10.889 1.00 0.49 H new ATOM 0 HB THR B 15 -3.707 -2.733 10.949 1.00 0.54 H new ATOM 0 HG1 THR B 15 -2.351 -4.231 11.920 1.00 0.75 H new ATOM 0 HG21 THR B 15 -4.941 -2.315 13.057 1.00 0.88 H new ATOM 0 HG22 THR B 15 -6.039 -2.503 11.669 1.00 0.88 H new ATOM 0 HG23 THR B 15 -5.831 -3.839 12.827 1.00 0.88 H new ATOM 1864 N VAL B 16 -4.939 -3.318 8.277 1.00 0.45 N ATOM 1865 CA VAL B 16 -5.683 -2.600 7.215 1.00 0.47 C ATOM 1866 C VAL B 16 -6.596 -3.574 6.435 1.00 0.47 C ATOM 1867 O VAL B 16 -7.691 -3.192 6.004 1.00 0.52 O ATOM 1868 CB VAL B 16 -4.715 -1.859 6.224 1.00 0.49 C ATOM 1869 CG1 VAL B 16 -5.478 -1.079 5.140 1.00 0.56 C ATOM 1870 CG2 VAL B 16 -3.770 -0.919 6.984 1.00 0.53 C ATOM 0 H VAL B 16 -3.934 -3.374 8.114 1.00 0.45 H new ATOM 0 HA VAL B 16 -6.301 -1.848 7.705 1.00 0.47 H new ATOM 0 HB VAL B 16 -4.126 -2.628 5.724 1.00 0.49 H new ATOM 0 HG11 VAL B 16 -4.766 -0.584 4.479 1.00 0.56 H new ATOM 0 HG12 VAL B 16 -6.093 -1.768 4.561 1.00 0.56 H new ATOM 0 HG13 VAL B 16 -6.117 -0.332 5.611 1.00 0.56 H new ATOM 0 HG21 VAL B 16 -3.110 -0.417 6.277 1.00 0.53 H new ATOM 0 HG22 VAL B 16 -4.355 -0.175 7.525 1.00 0.53 H new ATOM 0 HG23 VAL B 16 -3.174 -1.496 7.691 1.00 0.53 H new ATOM 1880 N VAL B 17 -6.130 -4.828 6.268 1.00 0.46 N ATOM 1881 CA VAL B 17 -6.883 -5.873 5.557 1.00 0.50 C ATOM 1882 C VAL B 17 -8.049 -6.390 6.433 1.00 0.57 C ATOM 1883 O VAL B 17 -9.206 -6.260 6.043 1.00 0.97 O ATOM 1884 CB VAL B 17 -5.938 -7.057 5.132 1.00 0.53 C ATOM 1885 CG1 VAL B 17 -6.691 -8.182 4.413 1.00 0.63 C ATOM 1886 CG2 VAL B 17 -4.791 -6.545 4.250 1.00 0.55 C ATOM 0 H VAL B 17 -5.226 -5.141 6.621 1.00 0.46 H new ATOM 0 HA VAL B 17 -7.301 -5.435 4.650 1.00 0.50 H new ATOM 0 HB VAL B 17 -5.529 -7.476 6.051 1.00 0.53 H new ATOM 0 HG11 VAL B 17 -5.991 -8.973 4.142 1.00 0.63 H new ATOM 0 HG12 VAL B 17 -7.458 -8.586 5.073 1.00 0.63 H new ATOM 0 HG13 VAL B 17 -7.160 -7.788 3.511 1.00 0.63 H new ATOM 0 HG21 VAL B 17 -4.149 -7.379 3.967 1.00 0.55 H new ATOM 0 HG22 VAL B 17 -5.201 -6.082 3.352 1.00 0.55 H new ATOM 0 HG23 VAL B 17 -4.207 -5.809 4.803 1.00 0.55 H new ATOM 1896 N THR B 18 -7.730 -6.924 7.633 1.00 0.50 N ATOM 1897 CA THR B 18 -8.743 -7.492 8.561 1.00 0.52 C ATOM 1898 C THR B 18 -9.783 -6.468 9.096 1.00 0.54 C ATOM 1899 O THR B 18 -10.848 -6.881 9.569 1.00 0.67 O ATOM 1900 CB THR B 18 -8.079 -8.204 9.779 1.00 0.56 C ATOM 1901 OG1 THR B 18 -7.244 -7.284 10.499 1.00 0.58 O ATOM 1902 CG2 THR B 18 -7.244 -9.410 9.347 1.00 0.62 C ATOM 0 H THR B 18 -6.774 -6.975 7.986 1.00 0.50 H new ATOM 0 HA THR B 18 -9.282 -8.211 7.944 1.00 0.52 H new ATOM 0 HB THR B 18 -8.884 -8.558 10.424 1.00 0.56 H new ATOM 0 HG1 THR B 18 -6.458 -7.062 9.957 1.00 0.58 H new ATOM 0 HG21 THR B 18 -6.799 -9.878 10.225 1.00 0.62 H new ATOM 0 HG22 THR B 18 -7.883 -10.131 8.837 1.00 0.62 H new ATOM 0 HG23 THR B 18 -6.454 -9.082 8.671 1.00 0.62 H new ATOM 1910 N THR B 19 -9.489 -5.148 9.033 1.00 0.53 N ATOM 1911 CA THR B 19 -10.423 -4.112 9.534 1.00 0.57 C ATOM 1912 C THR B 19 -11.508 -3.749 8.495 1.00 0.57 C ATOM 1913 O THR B 19 -12.672 -3.571 8.869 1.00 0.66 O ATOM 1914 CB THR B 19 -9.663 -2.822 9.994 1.00 0.60 C ATOM 1915 OG1 THR B 19 -8.713 -3.153 11.021 1.00 0.61 O ATOM 1916 CG2 THR B 19 -10.609 -1.737 10.528 1.00 0.69 C ATOM 0 H THR B 19 -8.622 -4.778 8.644 1.00 0.53 H new ATOM 0 HA THR B 19 -10.922 -4.546 10.400 1.00 0.57 H new ATOM 0 HB THR B 19 -9.158 -2.424 9.114 1.00 0.60 H new ATOM 0 HG1 THR B 19 -7.804 -3.089 10.659 1.00 0.61 H new ATOM 0 HG21 THR B 19 -10.029 -0.866 10.832 1.00 0.69 H new ATOM 0 HG22 THR B 19 -11.312 -1.450 9.746 1.00 0.69 H new ATOM 0 HG23 THR B 19 -11.159 -2.124 11.386 1.00 0.69 H new ATOM 1924 N PHE B 20 -11.130 -3.640 7.202 1.00 0.56 N ATOM 1925 CA PHE B 20 -12.088 -3.278 6.133 1.00 0.60 C ATOM 1926 C PHE B 20 -12.632 -4.505 5.360 1.00 0.60 C ATOM 1927 O PHE B 20 -13.706 -4.407 4.760 1.00 0.94 O ATOM 1928 CB PHE B 20 -11.442 -2.270 5.155 1.00 0.68 C ATOM 1929 CG PHE B 20 -12.399 -1.705 4.113 1.00 0.75 C ATOM 1930 CD1 PHE B 20 -13.492 -0.932 4.494 1.00 0.91 C ATOM 1931 CD2 PHE B 20 -12.211 -1.959 2.759 1.00 0.80 C ATOM 1932 CE1 PHE B 20 -14.369 -0.424 3.550 1.00 1.02 C ATOM 1933 CE2 PHE B 20 -13.088 -1.455 1.815 1.00 0.90 C ATOM 1934 CZ PHE B 20 -14.165 -0.688 2.209 1.00 0.97 C ATOM 0 H PHE B 20 -10.177 -3.796 6.875 1.00 0.56 H new ATOM 0 HA PHE B 20 -12.944 -2.816 6.624 1.00 0.60 H new ATOM 0 HB2 PHE B 20 -11.020 -1.445 5.729 1.00 0.68 H new ATOM 0 HB3 PHE B 20 -10.613 -2.759 4.643 1.00 0.68 H new ATOM 0 HD1 PHE B 20 -13.659 -0.725 5.541 1.00 0.91 H new ATOM 0 HD2 PHE B 20 -11.370 -2.557 2.440 1.00 0.80 H new ATOM 0 HE1 PHE B 20 -15.210 0.177 3.861 1.00 1.02 H new ATOM 0 HE2 PHE B 20 -12.929 -1.663 0.767 1.00 0.90 H new ATOM 0 HZ PHE B 20 -14.848 -0.294 1.470 1.00 0.97 H new ATOM 1944 N PHE B 21 -11.915 -5.655 5.377 1.00 0.71 N ATOM 1945 CA PHE B 21 -12.369 -6.870 4.650 1.00 0.72 C ATOM 1946 C PHE B 21 -13.709 -7.433 5.176 1.00 0.68 C ATOM 1947 O PHE B 21 -14.355 -8.211 4.469 1.00 0.71 O ATOM 1948 CB PHE B 21 -11.281 -7.972 4.634 1.00 1.01 C ATOM 1949 CG PHE B 21 -10.410 -7.969 3.383 1.00 1.63 C ATOM 1950 CD1 PHE B 21 -9.769 -6.805 2.949 1.00 1.93 C ATOM 1951 CD2 PHE B 21 -10.247 -9.129 2.632 1.00 2.26 C ATOM 1952 CE1 PHE B 21 -8.992 -6.810 1.805 1.00 2.67 C ATOM 1953 CE2 PHE B 21 -9.472 -9.133 1.489 1.00 2.92 C ATOM 1954 CZ PHE B 21 -8.843 -7.974 1.074 1.00 3.08 C ATOM 0 H PHE B 21 -11.033 -5.769 5.877 1.00 0.71 H new ATOM 0 HA PHE B 21 -12.546 -6.546 3.624 1.00 0.72 H new ATOM 0 HB2 PHE B 21 -10.642 -7.849 5.509 1.00 1.01 H new ATOM 0 HB3 PHE B 21 -11.763 -8.945 4.725 1.00 1.01 H new ATOM 0 HD1 PHE B 21 -9.882 -5.891 3.514 1.00 1.93 H new ATOM 0 HD2 PHE B 21 -10.734 -10.040 2.948 1.00 2.26 H new ATOM 0 HE1 PHE B 21 -8.501 -5.904 1.482 1.00 2.67 H new ATOM 0 HE2 PHE B 21 -9.357 -10.043 0.919 1.00 2.92 H new ATOM 0 HZ PHE B 21 -8.236 -7.978 0.180 1.00 3.08 H new ATOM 1964 N THR B 22 -14.126 -7.050 6.407 1.00 0.76 N ATOM 1965 CA THR B 22 -15.417 -7.497 6.977 1.00 0.91 C ATOM 1966 C THR B 22 -16.602 -7.007 6.106 1.00 0.84 C ATOM 1967 O THR B 22 -17.618 -7.700 5.990 1.00 1.01 O ATOM 1968 CB THR B 22 -15.610 -6.996 8.446 1.00 1.10 C ATOM 1969 OG1 THR B 22 -14.366 -7.058 9.171 1.00 1.23 O ATOM 1970 CG2 THR B 22 -16.671 -7.816 9.191 1.00 1.37 C ATOM 0 H THR B 22 -13.590 -6.436 7.020 1.00 0.76 H new ATOM 0 HA THR B 22 -15.399 -8.587 6.986 1.00 0.91 H new ATOM 0 HB THR B 22 -15.950 -5.962 8.389 1.00 1.10 H new ATOM 0 HG1 THR B 22 -14.505 -6.739 10.087 1.00 1.23 H new ATOM 0 HG21 THR B 22 -16.776 -7.437 10.208 1.00 1.37 H new ATOM 0 HG22 THR B 22 -17.626 -7.732 8.672 1.00 1.37 H new ATOM 0 HG23 THR B 22 -16.366 -8.862 9.223 1.00 1.37 H new ATOM 1978 N PHE B 23 -16.450 -5.805 5.508 1.00 0.69 N ATOM 1979 CA PHE B 23 -17.470 -5.210 4.625 1.00 0.75 C ATOM 1980 C PHE B 23 -17.054 -5.311 3.139 1.00 0.70 C ATOM 1981 O PHE B 23 -17.922 -5.303 2.262 1.00 0.83 O ATOM 1982 CB PHE B 23 -17.710 -3.732 4.999 1.00 0.84 C ATOM 1983 CG PHE B 23 -18.318 -3.521 6.371 1.00 1.00 C ATOM 1984 CD1 PHE B 23 -17.512 -3.380 7.495 1.00 1.03 C ATOM 1985 CD2 PHE B 23 -19.697 -3.462 6.533 1.00 1.32 C ATOM 1986 CE1 PHE B 23 -18.071 -3.184 8.744 1.00 1.27 C ATOM 1987 CE2 PHE B 23 -20.256 -3.267 7.780 1.00 1.54 C ATOM 1988 CZ PHE B 23 -19.444 -3.128 8.886 1.00 1.48 C ATOM 0 H PHE B 23 -15.620 -5.224 5.625 1.00 0.69 H new ATOM 0 HA PHE B 23 -18.394 -5.771 4.762 1.00 0.75 H new ATOM 0 HB2 PHE B 23 -16.760 -3.199 4.951 1.00 0.84 H new ATOM 0 HB3 PHE B 23 -18.365 -3.283 4.252 1.00 0.84 H new ATOM 0 HD1 PHE B 23 -16.438 -3.424 7.391 1.00 1.03 H new ATOM 0 HD2 PHE B 23 -20.340 -3.570 5.672 1.00 1.32 H new ATOM 0 HE1 PHE B 23 -17.434 -3.075 9.609 1.00 1.27 H new ATOM 0 HE2 PHE B 23 -21.330 -3.223 7.890 1.00 1.54 H new ATOM 0 HZ PHE B 23 -19.881 -2.976 9.862 1.00 1.48 H new ATOM 1998 N ALA B 24 -15.726 -5.421 2.856 1.00 0.61 N ATOM 1999 CA ALA B 24 -15.211 -5.507 1.467 1.00 0.67 C ATOM 2000 C ALA B 24 -15.616 -6.812 0.743 1.00 0.65 C ATOM 2001 O ALA B 24 -15.623 -6.846 -0.492 1.00 0.85 O ATOM 2002 CB ALA B 24 -13.691 -5.327 1.434 1.00 0.77 C ATOM 0 H ALA B 24 -14.999 -5.452 3.571 1.00 0.61 H new ATOM 0 HA ALA B 24 -15.681 -4.689 0.921 1.00 0.67 H new ATOM 0 HB1 ALA B 24 -13.339 -5.394 0.405 1.00 0.77 H new ATOM 0 HB2 ALA B 24 -13.431 -4.351 1.843 1.00 0.77 H new ATOM 0 HB3 ALA B 24 -13.219 -6.108 2.031 1.00 0.77 H new ATOM 2008 N ARG B 25 -15.961 -7.876 1.504 1.00 0.62 N ATOM 2009 CA ARG B 25 -16.389 -9.171 0.921 1.00 0.68 C ATOM 2010 C ARG B 25 -17.929 -9.212 0.714 1.00 0.70 C ATOM 2011 O ARG B 25 -18.563 -10.259 0.913 1.00 0.87 O ATOM 2012 CB ARG B 25 -15.917 -10.345 1.822 1.00 0.77 C ATOM 2013 CG ARG B 25 -16.553 -10.393 3.221 1.00 0.80 C ATOM 2014 CD ARG B 25 -16.156 -11.648 4.000 1.00 1.01 C ATOM 2015 NE ARG B 25 -16.755 -11.679 5.349 1.00 1.10 N ATOM 2016 CZ ARG B 25 -16.868 -12.780 6.128 1.00 1.38 C ATOM 2017 NH1 ARG B 25 -16.442 -13.983 5.715 1.00 1.73 N ATOM 2018 NH2 ARG B 25 -17.421 -12.671 7.341 1.00 1.48 N ATOM 0 H ARG B 25 -15.952 -7.864 2.524 1.00 0.62 H new ATOM 0 HA ARG B 25 -15.924 -9.277 -0.059 1.00 0.68 H new ATOM 0 HB2 ARG B 25 -16.131 -11.283 1.311 1.00 0.77 H new ATOM 0 HB3 ARG B 25 -14.835 -10.283 1.934 1.00 0.77 H new ATOM 0 HG2 ARG B 25 -16.253 -9.509 3.784 1.00 0.80 H new ATOM 0 HG3 ARG B 25 -17.638 -10.356 3.125 1.00 0.80 H new ATOM 0 HD2 ARG B 25 -16.469 -12.532 3.445 1.00 1.01 H new ATOM 0 HD3 ARG B 25 -15.070 -11.693 4.085 1.00 1.01 H new ATOM 0 HE ARG B 25 -17.112 -10.800 5.724 1.00 1.10 H new ATOM 0 HH11 ARG B 25 -16.020 -14.085 4.792 1.00 1.73 H new ATOM 0 HH12 ARG B 25 -16.540 -14.795 6.324 1.00 1.73 H new ATOM 0 HH21 ARG B 25 -17.753 -11.765 7.671 1.00 1.48 H new ATOM 0 HH22 ARG B 25 -17.511 -13.494 7.936 1.00 1.48 H new ATOM 2032 N GLN B 26 -18.515 -8.078 0.276 1.00 0.71 N ATOM 2033 CA GLN B 26 -19.964 -7.958 0.077 1.00 0.79 C ATOM 2034 C GLN B 26 -20.327 -7.756 -1.408 1.00 0.73 C ATOM 2035 O GLN B 26 -21.278 -8.380 -1.889 1.00 0.84 O ATOM 2036 CB GLN B 26 -20.503 -6.792 0.939 1.00 0.90 C ATOM 2037 CG GLN B 26 -22.022 -6.793 1.121 1.00 1.09 C ATOM 2038 CD GLN B 26 -22.533 -5.621 1.958 1.00 1.31 C ATOM 2039 OE1 GLN B 26 -21.974 -4.522 1.918 1.00 1.46 O ATOM 2040 NE2 GLN B 26 -23.602 -5.845 2.725 1.00 1.68 N ATOM 0 H GLN B 26 -17.996 -7.229 0.053 1.00 0.71 H new ATOM 0 HA GLN B 26 -20.433 -8.891 0.391 1.00 0.79 H new ATOM 0 HB2 GLN B 26 -20.031 -6.833 1.921 1.00 0.90 H new ATOM 0 HB3 GLN B 26 -20.204 -5.849 0.481 1.00 0.90 H new ATOM 0 HG2 GLN B 26 -22.498 -6.765 0.141 1.00 1.09 H new ATOM 0 HG3 GLN B 26 -22.323 -7.727 1.595 1.00 1.09 H new ATOM 0 HE21 GLN B 26 -24.039 -6.766 2.734 1.00 1.68 H new ATOM 0 HE22 GLN B 26 -23.982 -5.095 3.302 1.00 1.68 H new ATOM 2049 N GLU B 27 -19.569 -6.898 -2.134 1.00 0.66 N ATOM 2050 CA GLU B 27 -19.849 -6.616 -3.555 1.00 0.71 C ATOM 2051 C GLU B 27 -18.717 -7.087 -4.492 1.00 0.88 C ATOM 2052 O GLU B 27 -17.672 -6.435 -4.592 1.00 1.45 O ATOM 2053 CB GLU B 27 -20.102 -5.104 -3.768 1.00 0.83 C ATOM 2054 CG GLU B 27 -21.279 -4.523 -2.972 1.00 0.93 C ATOM 2055 CD GLU B 27 -22.639 -4.782 -3.611 1.00 1.04 C ATOM 2056 OE1 GLU B 27 -22.878 -5.915 -4.084 1.00 1.23 O ATOM 2057 OE2 GLU B 27 -23.468 -3.845 -3.640 1.00 1.16 O ATOM 0 H GLU B 27 -18.765 -6.395 -1.758 1.00 0.66 H new ATOM 0 HA GLU B 27 -20.744 -7.182 -3.812 1.00 0.71 H new ATOM 0 HB2 GLU B 27 -19.197 -4.559 -3.499 1.00 0.83 H new ATOM 0 HB3 GLU B 27 -20.278 -4.927 -4.829 1.00 0.83 H new ATOM 0 HG2 GLU B 27 -21.272 -4.948 -1.968 1.00 0.93 H new ATOM 0 HG3 GLU B 27 -21.137 -3.448 -2.864 1.00 0.93 H new ATOM 2064 N GLY B 28 -18.938 -8.240 -5.164 1.00 0.73 N ATOM 2065 CA GLY B 28 -17.983 -8.785 -6.137 1.00 0.86 C ATOM 2066 C GLY B 28 -16.640 -9.229 -5.562 1.00 0.69 C ATOM 2067 O GLY B 28 -15.859 -8.392 -5.103 1.00 0.66 O ATOM 0 H GLY B 28 -19.776 -8.808 -5.044 1.00 0.73 H new ATOM 0 HA2 GLY B 28 -18.445 -9.637 -6.635 1.00 0.86 H new ATOM 0 HA3 GLY B 28 -17.799 -8.030 -6.902 1.00 0.86 H new ATOM 2071 N ARG B 29 -16.366 -10.557 -5.615 1.00 0.68 N ATOM 2072 CA ARG B 29 -15.104 -11.172 -5.132 1.00 0.65 C ATOM 2073 C ARG B 29 -14.805 -10.888 -3.641 1.00 0.62 C ATOM 2074 O ARG B 29 -15.207 -9.860 -3.090 1.00 0.69 O ATOM 2075 CB ARG B 29 -13.911 -10.762 -6.030 1.00 0.66 C ATOM 2076 CG ARG B 29 -13.910 -11.459 -7.394 1.00 0.84 C ATOM 2077 CD ARG B 29 -12.774 -10.992 -8.301 1.00 1.28 C ATOM 2078 NE ARG B 29 -12.630 -11.865 -9.482 1.00 1.44 N ATOM 2079 CZ ARG B 29 -12.213 -11.479 -10.710 1.00 1.93 C ATOM 2080 NH1 ARG B 29 -11.861 -10.211 -10.971 1.00 2.62 N ATOM 2081 NH2 ARG B 29 -12.134 -12.387 -11.683 1.00 2.09 N ATOM 0 H ARG B 29 -17.022 -11.238 -5.998 1.00 0.68 H new ATOM 0 HA ARG B 29 -15.246 -12.250 -5.205 1.00 0.65 H new ATOM 0 HB2 ARG B 29 -13.934 -9.683 -6.182 1.00 0.66 H new ATOM 0 HB3 ARG B 29 -12.980 -10.992 -5.512 1.00 0.66 H new ATOM 0 HG2 ARG B 29 -13.830 -12.536 -7.246 1.00 0.84 H new ATOM 0 HG3 ARG B 29 -14.863 -11.276 -7.890 1.00 0.84 H new ATOM 0 HD2 ARG B 29 -12.963 -9.969 -8.625 1.00 1.28 H new ATOM 0 HD3 ARG B 29 -11.840 -10.981 -7.739 1.00 1.28 H new ATOM 0 HE ARG B 29 -12.867 -12.850 -9.362 1.00 1.44 H new ATOM 0 HH11 ARG B 29 -11.904 -9.508 -10.233 1.00 2.62 H new ATOM 0 HH12 ARG B 29 -11.551 -9.950 -11.907 1.00 2.62 H new ATOM 0 HH21 ARG B 29 -12.386 -13.358 -11.497 1.00 2.09 H new ATOM 0 HH22 ARG B 29 -11.821 -12.111 -12.614 1.00 2.09 H new ATOM 2095 N LYS B 30 -14.077 -11.822 -3.003 1.00 0.64 N ATOM 2096 CA LYS B 30 -13.719 -11.719 -1.574 1.00 0.65 C ATOM 2097 C LYS B 30 -12.455 -10.866 -1.353 1.00 0.63 C ATOM 2098 O LYS B 30 -12.352 -10.168 -0.340 1.00 0.67 O ATOM 2099 CB LYS B 30 -13.502 -13.129 -0.978 1.00 0.73 C ATOM 2100 CG LYS B 30 -14.716 -14.066 -1.067 1.00 0.79 C ATOM 2101 CD LYS B 30 -15.864 -13.629 -0.151 1.00 0.87 C ATOM 2102 CE LYS B 30 -16.972 -14.682 -0.052 1.00 1.01 C ATOM 2103 NZ LYS B 30 -17.689 -14.886 -1.347 1.00 1.11 N ATOM 0 H LYS B 30 -13.722 -12.663 -3.458 1.00 0.64 H new ATOM 0 HA LYS B 30 -14.548 -11.225 -1.068 1.00 0.65 H new ATOM 0 HB2 LYS B 30 -12.662 -13.598 -1.490 1.00 0.73 H new ATOM 0 HB3 LYS B 30 -13.219 -13.025 0.069 1.00 0.73 H new ATOM 0 HG2 LYS B 30 -15.070 -14.099 -2.097 1.00 0.79 H new ATOM 0 HG3 LYS B 30 -14.410 -15.078 -0.802 1.00 0.79 H new ATOM 0 HD2 LYS B 30 -15.472 -13.425 0.845 1.00 0.87 H new ATOM 0 HD3 LYS B 30 -16.287 -12.696 -0.524 1.00 0.87 H new ATOM 0 HE2 LYS B 30 -16.540 -15.629 0.273 1.00 1.01 H new ATOM 0 HE3 LYS B 30 -17.688 -14.379 0.712 1.00 1.01 H new ATOM 0 HZ1 LYS B 30 -18.428 -15.608 -1.225 1.00 1.11 H new ATOM 0 HZ2 LYS B 30 -18.126 -13.991 -1.647 1.00 1.11 H new ATOM 0 HZ3 LYS B 30 -17.013 -15.201 -2.072 1.00 1.11 H new ATOM 2117 N ASP B 31 -11.499 -10.927 -2.305 1.00 0.65 N ATOM 2118 CA ASP B 31 -10.227 -10.187 -2.205 1.00 0.69 C ATOM 2119 C ASP B 31 -10.232 -8.883 -3.044 1.00 0.64 C ATOM 2120 O ASP B 31 -9.239 -8.571 -3.715 1.00 0.88 O ATOM 2121 CB ASP B 31 -9.068 -11.109 -2.634 1.00 0.83 C ATOM 2122 CG ASP B 31 -8.916 -12.328 -1.734 1.00 0.94 C ATOM 2123 OD1 ASP B 31 -8.398 -12.174 -0.607 1.00 1.36 O ATOM 2124 OD2 ASP B 31 -9.317 -13.434 -2.156 1.00 1.24 O ATOM 0 H ASP B 31 -11.587 -11.485 -3.155 1.00 0.65 H new ATOM 0 HA ASP B 31 -10.094 -9.884 -1.166 1.00 0.69 H new ATOM 0 HB2 ASP B 31 -9.234 -11.439 -3.659 1.00 0.83 H new ATOM 0 HB3 ASP B 31 -8.138 -10.541 -2.628 1.00 0.83 H new ATOM 2129 N SER B 32 -11.341 -8.112 -2.986 1.00 0.65 N ATOM 2130 CA SER B 32 -11.448 -6.838 -3.727 1.00 0.59 C ATOM 2131 C SER B 32 -12.316 -5.812 -2.975 1.00 0.57 C ATOM 2132 O SER B 32 -13.255 -6.186 -2.265 1.00 0.64 O ATOM 2133 CB SER B 32 -12.016 -7.066 -5.139 1.00 0.59 C ATOM 2134 OG SER B 32 -13.392 -7.417 -5.105 1.00 1.13 O ATOM 0 H SER B 32 -12.168 -8.348 -2.438 1.00 0.65 H new ATOM 0 HA SER B 32 -10.439 -6.434 -3.812 1.00 0.59 H new ATOM 0 HB2 SER B 32 -11.886 -6.161 -5.733 1.00 0.59 H new ATOM 0 HB3 SER B 32 -11.452 -7.856 -5.634 1.00 0.59 H new ATOM 0 HG SER B 32 -13.757 -7.397 -6.014 1.00 1.13 H new ATOM 2140 N LEU B 33 -11.987 -4.517 -3.152 1.00 0.55 N ATOM 2141 CA LEU B 33 -12.722 -3.406 -2.519 1.00 0.56 C ATOM 2142 C LEU B 33 -13.751 -2.837 -3.508 1.00 0.55 C ATOM 2143 O LEU B 33 -13.437 -2.640 -4.685 1.00 0.72 O ATOM 2144 CB LEU B 33 -11.751 -2.290 -2.060 1.00 0.59 C ATOM 2145 CG LEU B 33 -10.736 -2.677 -0.950 1.00 0.69 C ATOM 2146 CD1 LEU B 33 -9.563 -3.492 -1.511 1.00 0.79 C ATOM 2147 CD2 LEU B 33 -10.217 -1.430 -0.224 1.00 0.75 C ATOM 0 H LEU B 33 -11.207 -4.213 -3.736 1.00 0.55 H new ATOM 0 HA LEU B 33 -13.238 -3.789 -1.639 1.00 0.56 H new ATOM 0 HB2 LEU B 33 -11.192 -1.943 -2.929 1.00 0.59 H new ATOM 0 HB3 LEU B 33 -12.342 -1.446 -1.704 1.00 0.59 H new ATOM 0 HG LEU B 33 -11.266 -3.304 -0.234 1.00 0.69 H new ATOM 0 HD11 LEU B 33 -8.875 -3.743 -0.703 1.00 0.79 H new ATOM 0 HD12 LEU B 33 -9.941 -4.409 -1.964 1.00 0.79 H new ATOM 0 HD13 LEU B 33 -9.039 -2.904 -2.264 1.00 0.79 H new ATOM 0 HD21 LEU B 33 -9.508 -1.727 0.549 1.00 0.75 H new ATOM 0 HD22 LEU B 33 -9.721 -0.773 -0.938 1.00 0.75 H new ATOM 0 HD23 LEU B 33 -11.053 -0.902 0.235 1.00 0.75 H new ATOM 2159 N SER B 34 -14.979 -2.569 -3.028 1.00 0.52 N ATOM 2160 CA SER B 34 -16.059 -2.039 -3.884 1.00 0.53 C ATOM 2161 C SER B 34 -15.845 -0.551 -4.224 1.00 0.50 C ATOM 2162 O SER B 34 -15.137 0.162 -3.506 1.00 0.52 O ATOM 2163 CB SER B 34 -17.424 -2.238 -3.206 1.00 0.62 C ATOM 2164 OG SER B 34 -18.489 -1.990 -4.108 1.00 0.69 O ATOM 0 H SER B 34 -15.249 -2.710 -2.055 1.00 0.52 H new ATOM 0 HA SER B 34 -16.038 -2.597 -4.820 1.00 0.53 H new ATOM 0 HB2 SER B 34 -17.498 -3.256 -2.824 1.00 0.62 H new ATOM 0 HB3 SER B 34 -17.508 -1.570 -2.349 1.00 0.62 H new ATOM 0 HG SER B 34 -19.344 -2.126 -3.650 1.00 0.69 H new ATOM 2170 N VAL B 35 -16.475 -0.098 -5.330 1.00 0.52 N ATOM 2171 CA VAL B 35 -16.375 1.301 -5.795 1.00 0.53 C ATOM 2172 C VAL B 35 -17.175 2.279 -4.887 1.00 0.48 C ATOM 2173 O VAL B 35 -16.764 3.431 -4.715 1.00 0.52 O ATOM 2174 CB VAL B 35 -16.816 1.439 -7.300 1.00 0.64 C ATOM 2175 CG1 VAL B 35 -18.307 1.124 -7.502 1.00 0.67 C ATOM 2176 CG2 VAL B 35 -16.464 2.819 -7.868 1.00 0.71 C ATOM 0 H VAL B 35 -17.062 -0.687 -5.921 1.00 0.52 H new ATOM 0 HA VAL B 35 -15.324 1.582 -5.725 1.00 0.53 H new ATOM 0 HB VAL B 35 -16.251 0.693 -7.858 1.00 0.64 H new ATOM 0 HG11 VAL B 35 -18.562 1.233 -8.556 1.00 0.67 H new ATOM 0 HG12 VAL B 35 -18.509 0.101 -7.184 1.00 0.67 H new ATOM 0 HG13 VAL B 35 -18.908 1.814 -6.910 1.00 0.67 H new ATOM 0 HG21 VAL B 35 -16.784 2.877 -8.908 1.00 0.71 H new ATOM 0 HG22 VAL B 35 -16.971 3.591 -7.289 1.00 0.71 H new ATOM 0 HG23 VAL B 35 -15.386 2.972 -7.811 1.00 0.71 H new ATOM 2186 N ASN B 36 -18.311 1.815 -4.319 1.00 0.47 N ATOM 2187 CA ASN B 36 -19.153 2.651 -3.431 1.00 0.48 C ATOM 2188 C ASN B 36 -18.713 2.549 -1.950 1.00 0.46 C ATOM 2189 O ASN B 36 -19.002 3.460 -1.166 1.00 0.66 O ATOM 2190 CB ASN B 36 -20.639 2.255 -3.576 1.00 0.55 C ATOM 2191 CG ASN B 36 -21.598 3.260 -2.932 1.00 0.64 C ATOM 2192 OD1 ASN B 36 -22.004 4.233 -3.569 1.00 0.83 O ATOM 2193 ND2 ASN B 36 -21.973 3.028 -1.670 1.00 0.79 N ATOM 0 H ASN B 36 -18.666 0.869 -4.459 1.00 0.47 H new ATOM 0 HA ASN B 36 -19.025 3.689 -3.739 1.00 0.48 H new ATOM 0 HB2 ASN B 36 -20.881 2.159 -4.634 1.00 0.55 H new ATOM 0 HB3 ASN B 36 -20.793 1.275 -3.124 1.00 0.55 H new ATOM 0 HD21 ASN B 36 -22.616 3.668 -1.203 1.00 0.79 H new ATOM 0 HD22 ASN B 36 -21.616 2.211 -1.174 1.00 0.79 H new ATOM 2200 N GLU B 37 -18.010 1.454 -1.570 1.00 0.46 N ATOM 2201 CA GLU B 37 -17.555 1.258 -0.176 1.00 0.50 C ATOM 2202 C GLU B 37 -16.225 1.979 0.119 1.00 0.45 C ATOM 2203 O GLU B 37 -16.053 2.507 1.224 1.00 0.46 O ATOM 2204 CB GLU B 37 -17.442 -0.243 0.161 1.00 0.62 C ATOM 2205 CG GLU B 37 -18.780 -0.982 0.107 1.00 0.69 C ATOM 2206 CD GLU B 37 -18.679 -2.434 0.541 1.00 0.88 C ATOM 2207 OE1 GLU B 37 -18.690 -2.686 1.763 1.00 1.61 O ATOM 2208 OE2 GLU B 37 -18.594 -3.315 -0.340 1.00 1.28 O ATOM 0 H GLU B 37 -17.749 0.700 -2.205 1.00 0.46 H new ATOM 0 HA GLU B 37 -18.313 1.707 0.466 1.00 0.50 H new ATOM 0 HB2 GLU B 37 -16.748 -0.713 -0.536 1.00 0.62 H new ATOM 0 HB3 GLU B 37 -17.015 -0.352 1.158 1.00 0.62 H new ATOM 0 HG2 GLU B 37 -19.498 -0.468 0.746 1.00 0.69 H new ATOM 0 HG3 GLU B 37 -19.170 -0.940 -0.910 1.00 0.69 H new ATOM 2215 N PHE B 38 -15.283 2.007 -0.857 1.00 0.43 N ATOM 2216 CA PHE B 38 -13.982 2.691 -0.662 1.00 0.43 C ATOM 2217 C PHE B 38 -14.171 4.221 -0.561 1.00 0.39 C ATOM 2218 O PHE B 38 -13.450 4.885 0.187 1.00 0.42 O ATOM 2219 CB PHE B 38 -12.952 2.298 -1.764 1.00 0.48 C ATOM 2220 CG PHE B 38 -12.827 3.240 -2.959 1.00 0.46 C ATOM 2221 CD1 PHE B 38 -13.727 3.179 -4.015 1.00 0.52 C ATOM 2222 CD2 PHE B 38 -11.798 4.175 -3.022 1.00 0.55 C ATOM 2223 CE1 PHE B 38 -13.602 4.026 -5.102 1.00 0.61 C ATOM 2224 CE2 PHE B 38 -11.672 5.022 -4.105 1.00 0.65 C ATOM 2225 CZ PHE B 38 -12.574 4.949 -5.146 1.00 0.66 C ATOM 0 H PHE B 38 -15.397 1.571 -1.772 1.00 0.43 H new ATOM 0 HA PHE B 38 -13.566 2.351 0.287 1.00 0.43 H new ATOM 0 HB2 PHE B 38 -11.971 2.211 -1.296 1.00 0.48 H new ATOM 0 HB3 PHE B 38 -13.216 1.309 -2.138 1.00 0.48 H new ATOM 0 HD1 PHE B 38 -14.534 2.462 -3.987 1.00 0.52 H new ATOM 0 HD2 PHE B 38 -11.087 4.239 -2.211 1.00 0.55 H new ATOM 0 HE1 PHE B 38 -14.308 3.966 -5.917 1.00 0.61 H new ATOM 0 HE2 PHE B 38 -10.867 5.742 -4.137 1.00 0.65 H new ATOM 0 HZ PHE B 38 -12.477 5.611 -5.993 1.00 0.66 H new ATOM 2235 N LYS B 39 -15.152 4.762 -1.321 1.00 0.37 N ATOM 2236 CA LYS B 39 -15.482 6.204 -1.310 1.00 0.38 C ATOM 2237 C LYS B 39 -15.894 6.662 0.112 1.00 0.36 C ATOM 2238 O LYS B 39 -15.487 7.736 0.562 1.00 0.39 O ATOM 2239 CB LYS B 39 -16.615 6.489 -2.323 1.00 0.43 C ATOM 2240 CG LYS B 39 -16.941 7.969 -2.534 1.00 0.50 C ATOM 2241 CD LYS B 39 -18.169 8.156 -3.426 1.00 0.60 C ATOM 2242 CE LYS B 39 -18.566 9.625 -3.569 1.00 0.70 C ATOM 2243 NZ LYS B 39 -17.624 10.391 -4.439 1.00 0.81 N ATOM 0 H LYS B 39 -15.733 4.214 -1.955 1.00 0.37 H new ATOM 0 HA LYS B 39 -14.597 6.769 -1.601 1.00 0.38 H new ATOM 0 HB2 LYS B 39 -16.340 6.053 -3.284 1.00 0.43 H new ATOM 0 HB3 LYS B 39 -17.518 5.978 -1.988 1.00 0.43 H new ATOM 0 HG2 LYS B 39 -17.117 8.444 -1.569 1.00 0.50 H new ATOM 0 HG3 LYS B 39 -16.084 8.470 -2.985 1.00 0.50 H new ATOM 0 HD2 LYS B 39 -17.965 7.740 -4.413 1.00 0.60 H new ATOM 0 HD3 LYS B 39 -19.006 7.595 -3.010 1.00 0.60 H new ATOM 0 HE2 LYS B 39 -19.572 9.687 -3.985 1.00 0.70 H new ATOM 0 HE3 LYS B 39 -18.600 10.086 -2.582 1.00 0.70 H new ATOM 0 HZ1 LYS B 39 -17.938 11.381 -4.503 1.00 0.81 H new ATOM 0 HZ2 LYS B 39 -16.668 10.357 -4.030 1.00 0.81 H new ATOM 0 HZ3 LYS B 39 -17.609 9.970 -5.390 1.00 0.81 H new ATOM 2257 N GLU B 40 -16.702 5.826 0.802 1.00 0.35 N ATOM 2258 CA GLU B 40 -17.163 6.112 2.176 1.00 0.38 C ATOM 2259 C GLU B 40 -16.026 5.908 3.199 1.00 0.38 C ATOM 2260 O GLU B 40 -16.003 6.577 4.234 1.00 0.41 O ATOM 2261 CB GLU B 40 -18.376 5.229 2.538 1.00 0.43 C ATOM 2262 CG GLU B 40 -19.673 5.659 1.855 1.00 0.47 C ATOM 2263 CD GLU B 40 -20.845 4.744 2.173 1.00 0.56 C ATOM 2264 OE1 GLU B 40 -21.404 4.858 3.284 1.00 0.69 O ATOM 2265 OE2 GLU B 40 -21.209 3.917 1.309 1.00 0.63 O ATOM 0 H GLU B 40 -17.049 4.944 0.426 1.00 0.35 H new ATOM 0 HA GLU B 40 -17.469 7.157 2.214 1.00 0.38 H new ATOM 0 HB2 GLU B 40 -18.157 4.197 2.266 1.00 0.43 H new ATOM 0 HB3 GLU B 40 -18.520 5.250 3.618 1.00 0.43 H new ATOM 0 HG2 GLU B 40 -19.919 6.675 2.162 1.00 0.47 H new ATOM 0 HG3 GLU B 40 -19.519 5.681 0.776 1.00 0.47 H new ATOM 2272 N LEU B 41 -15.086 4.975 2.898 1.00 0.37 N ATOM 2273 CA LEU B 41 -13.920 4.702 3.772 1.00 0.40 C ATOM 2274 C LEU B 41 -12.999 5.940 3.867 1.00 0.38 C ATOM 2275 O LEU B 41 -12.368 6.166 4.903 1.00 0.40 O ATOM 2276 CB LEU B 41 -13.127 3.475 3.250 1.00 0.44 C ATOM 2277 CG LEU B 41 -12.026 2.913 4.187 1.00 0.55 C ATOM 2278 CD1 LEU B 41 -12.621 2.405 5.505 1.00 0.68 C ATOM 2279 CD2 LEU B 41 -11.234 1.805 3.478 1.00 0.64 C ATOM 0 H LEU B 41 -15.115 4.400 2.056 1.00 0.37 H new ATOM 0 HA LEU B 41 -14.291 4.478 4.772 1.00 0.40 H new ATOM 0 HB2 LEU B 41 -13.836 2.675 3.039 1.00 0.44 H new ATOM 0 HB3 LEU B 41 -12.662 3.747 2.302 1.00 0.44 H new ATOM 0 HG LEU B 41 -11.341 3.726 4.429 1.00 0.55 H new ATOM 0 HD11 LEU B 41 -11.823 2.018 6.139 1.00 0.68 H new ATOM 0 HD12 LEU B 41 -13.125 3.225 6.016 1.00 0.68 H new ATOM 0 HD13 LEU B 41 -13.338 1.611 5.298 1.00 0.68 H new ATOM 0 HD21 LEU B 41 -10.465 1.421 4.149 1.00 0.64 H new ATOM 0 HD22 LEU B 41 -11.910 0.996 3.199 1.00 0.64 H new ATOM 0 HD23 LEU B 41 -10.764 2.210 2.582 1.00 0.64 H new ATOM 2291 N VAL B 42 -12.924 6.723 2.770 1.00 0.37 N ATOM 2292 CA VAL B 42 -12.117 7.954 2.719 1.00 0.38 C ATOM 2293 C VAL B 42 -12.858 9.130 3.407 1.00 0.39 C ATOM 2294 O VAL B 42 -12.212 10.027 3.952 1.00 0.43 O ATOM 2295 CB VAL B 42 -11.755 8.329 1.236 1.00 0.43 C ATOM 2296 CG1 VAL B 42 -10.978 9.650 1.141 1.00 0.48 C ATOM 2297 CG2 VAL B 42 -10.960 7.200 0.567 1.00 0.47 C ATOM 0 H VAL B 42 -13.419 6.519 1.902 1.00 0.37 H new ATOM 0 HA VAL B 42 -11.190 7.766 3.261 1.00 0.38 H new ATOM 0 HB VAL B 42 -12.698 8.465 0.707 1.00 0.43 H new ATOM 0 HG11 VAL B 42 -10.752 9.865 0.097 1.00 0.48 H new ATOM 0 HG12 VAL B 42 -11.582 10.458 1.555 1.00 0.48 H new ATOM 0 HG13 VAL B 42 -10.048 9.567 1.704 1.00 0.48 H new ATOM 0 HG21 VAL B 42 -10.721 7.482 -0.458 1.00 0.47 H new ATOM 0 HG22 VAL B 42 -10.037 7.027 1.121 1.00 0.47 H new ATOM 0 HG23 VAL B 42 -11.557 6.288 0.563 1.00 0.47 H new ATOM 2307 N THR B 43 -14.210 9.114 3.382 1.00 0.38 N ATOM 2308 CA THR B 43 -15.037 10.176 3.992 1.00 0.42 C ATOM 2309 C THR B 43 -15.702 9.693 5.312 1.00 0.48 C ATOM 2310 O THR B 43 -16.877 9.987 5.571 1.00 0.83 O ATOM 2311 CB THR B 43 -16.126 10.661 2.977 1.00 0.44 C ATOM 2312 OG1 THR B 43 -15.578 10.707 1.646 1.00 0.46 O ATOM 2313 CG2 THR B 43 -16.674 12.049 3.336 1.00 0.49 C ATOM 0 H THR B 43 -14.753 8.371 2.942 1.00 0.38 H new ATOM 0 HA THR B 43 -14.382 11.012 4.238 1.00 0.42 H new ATOM 0 HB THR B 43 -16.947 9.946 3.025 1.00 0.44 H new ATOM 0 HG1 THR B 43 -15.549 9.801 1.273 1.00 0.46 H new ATOM 0 HG21 THR B 43 -17.426 12.344 2.604 1.00 0.49 H new ATOM 0 HG22 THR B 43 -17.126 12.017 4.328 1.00 0.49 H new ATOM 0 HG23 THR B 43 -15.860 12.774 3.332 1.00 0.49 H new ATOM 2321 N GLN B 44 -14.940 8.958 6.152 1.00 0.42 N ATOM 2322 CA GLN B 44 -15.458 8.449 7.438 1.00 0.44 C ATOM 2323 C GLN B 44 -14.311 8.031 8.381 1.00 0.44 C ATOM 2324 O GLN B 44 -14.180 8.588 9.474 1.00 0.50 O ATOM 2325 CB GLN B 44 -16.435 7.260 7.216 1.00 0.47 C ATOM 2326 CG GLN B 44 -17.294 6.904 8.432 1.00 0.58 C ATOM 2327 CD GLN B 44 -18.197 5.696 8.194 1.00 0.67 C ATOM 2328 OE1 GLN B 44 -19.319 5.841 7.705 1.00 0.91 O ATOM 2329 NE2 GLN B 44 -17.724 4.495 8.542 1.00 0.98 N ATOM 0 H GLN B 44 -13.970 8.706 5.963 1.00 0.42 H new ATOM 0 HA GLN B 44 -16.007 9.263 7.912 1.00 0.44 H new ATOM 0 HB2 GLN B 44 -17.093 7.499 6.381 1.00 0.47 H new ATOM 0 HB3 GLN B 44 -15.858 6.382 6.926 1.00 0.47 H new ATOM 0 HG2 GLN B 44 -16.643 6.702 9.283 1.00 0.58 H new ATOM 0 HG3 GLN B 44 -17.909 7.763 8.699 1.00 0.58 H new ATOM 0 HE21 GLN B 44 -16.790 4.412 8.944 1.00 0.98 H new ATOM 0 HE22 GLN B 44 -18.297 3.662 8.405 1.00 0.98 H new ATOM 2338 N GLN B 45 -13.481 7.059 7.944 1.00 0.42 N ATOM 2339 CA GLN B 45 -12.360 6.543 8.758 1.00 0.43 C ATOM 2340 C GLN B 45 -10.972 6.977 8.227 1.00 0.41 C ATOM 2341 O GLN B 45 -9.972 6.806 8.934 1.00 0.46 O ATOM 2342 CB GLN B 45 -12.455 5.002 8.847 1.00 0.47 C ATOM 2343 CG GLN B 45 -11.838 4.412 10.118 1.00 0.57 C ATOM 2344 CD GLN B 45 -12.210 2.945 10.352 1.00 0.62 C ATOM 2345 OE1 GLN B 45 -12.406 2.180 9.407 1.00 0.70 O ATOM 2346 NE2 GLN B 45 -12.312 2.545 11.622 1.00 0.73 N ATOM 0 H GLN B 45 -13.567 6.615 7.030 1.00 0.42 H new ATOM 0 HA GLN B 45 -12.451 6.980 9.753 1.00 0.43 H new ATOM 0 HB2 GLN B 45 -13.504 4.709 8.795 1.00 0.47 H new ATOM 0 HB3 GLN B 45 -11.959 4.567 7.979 1.00 0.47 H new ATOM 0 HG2 GLN B 45 -10.753 4.499 10.060 1.00 0.57 H new ATOM 0 HG3 GLN B 45 -12.160 5.002 10.976 1.00 0.57 H new ATOM 0 HE21 GLN B 45 -12.143 3.206 12.380 1.00 0.73 H new ATOM 0 HE22 GLN B 45 -12.559 1.578 11.834 1.00 0.73 H new ATOM 2355 N LEU B 46 -10.906 7.541 6.997 1.00 0.39 N ATOM 2356 CA LEU B 46 -9.632 7.992 6.402 1.00 0.38 C ATOM 2357 C LEU B 46 -9.747 9.412 5.756 1.00 0.38 C ATOM 2358 O LEU B 46 -9.243 9.616 4.644 1.00 0.41 O ATOM 2359 CB LEU B 46 -9.185 6.943 5.346 1.00 0.40 C ATOM 2360 CG LEU B 46 -7.663 6.830 5.093 1.00 0.41 C ATOM 2361 CD1 LEU B 46 -7.026 5.814 6.048 1.00 0.58 C ATOM 2362 CD2 LEU B 46 -7.375 6.454 3.635 1.00 0.62 C ATOM 0 H LEU B 46 -11.720 7.693 6.401 1.00 0.39 H new ATOM 0 HA LEU B 46 -8.887 8.075 7.194 1.00 0.38 H new ATOM 0 HB2 LEU B 46 -9.553 5.966 5.658 1.00 0.40 H new ATOM 0 HB3 LEU B 46 -9.672 7.181 4.400 1.00 0.40 H new ATOM 0 HG LEU B 46 -7.218 7.806 5.285 1.00 0.41 H new ATOM 0 HD11 LEU B 46 -5.956 5.751 5.852 1.00 0.58 H new ATOM 0 HD12 LEU B 46 -7.188 6.132 7.078 1.00 0.58 H new ATOM 0 HD13 LEU B 46 -7.481 4.835 5.894 1.00 0.58 H new ATOM 0 HD21 LEU B 46 -6.298 6.381 3.484 1.00 0.62 H new ATOM 0 HD22 LEU B 46 -7.839 5.494 3.408 1.00 0.62 H new ATOM 0 HD23 LEU B 46 -7.783 7.219 2.975 1.00 0.62 H new ATOM 2374 N PRO B 47 -10.395 10.434 6.427 1.00 0.40 N ATOM 2375 CA PRO B 47 -10.537 11.797 5.852 1.00 0.42 C ATOM 2376 C PRO B 47 -9.336 12.753 6.085 1.00 0.42 C ATOM 2377 O PRO B 47 -9.016 13.555 5.202 1.00 0.46 O ATOM 2378 CB PRO B 47 -11.792 12.318 6.562 1.00 0.48 C ATOM 2379 CG PRO B 47 -11.748 11.690 7.916 1.00 0.48 C ATOM 2380 CD PRO B 47 -11.072 10.350 7.753 1.00 0.44 C ATOM 0 HA PRO B 47 -10.592 11.755 4.764 1.00 0.42 H new ATOM 0 HB2 PRO B 47 -11.786 13.406 6.629 1.00 0.48 H new ATOM 0 HB3 PRO B 47 -12.697 12.037 6.024 1.00 0.48 H new ATOM 0 HG2 PRO B 47 -11.197 12.318 8.616 1.00 0.48 H new ATOM 0 HG3 PRO B 47 -12.753 11.569 8.319 1.00 0.48 H new ATOM 0 HD2 PRO B 47 -10.356 10.166 8.554 1.00 0.44 H new ATOM 0 HD3 PRO B 47 -11.795 9.535 7.779 1.00 0.44 H new ATOM 2388 N HIS B 48 -8.684 12.676 7.267 1.00 0.42 N ATOM 2389 CA HIS B 48 -7.541 13.563 7.599 1.00 0.44 C ATOM 2390 C HIS B 48 -6.258 13.164 6.845 1.00 0.43 C ATOM 2391 O HIS B 48 -5.453 14.035 6.492 1.00 0.49 O ATOM 2392 CB HIS B 48 -7.280 13.576 9.120 1.00 0.49 C ATOM 2393 CG HIS B 48 -8.422 14.137 9.917 1.00 0.56 C ATOM 2394 ND1 HIS B 48 -9.497 13.377 10.329 1.00 0.67 N ATOM 2395 CD2 HIS B 48 -8.666 15.398 10.355 1.00 0.70 C ATOM 2396 CE1 HIS B 48 -10.353 14.144 10.979 1.00 0.79 C ATOM 2397 NE2 HIS B 48 -9.872 15.374 11.008 1.00 0.81 N ATOM 0 H HIS B 48 -8.926 12.014 8.004 1.00 0.42 H new ATOM 0 HA HIS B 48 -7.816 14.567 7.276 1.00 0.44 H new ATOM 0 HB2 HIS B 48 -7.078 12.559 9.455 1.00 0.49 H new ATOM 0 HB3 HIS B 48 -6.383 14.162 9.322 1.00 0.49 H new ATOM 0 HD2 HIS B 48 -8.030 16.259 10.216 1.00 0.70 H new ATOM 0 HE1 HIS B 48 -11.288 13.821 11.413 1.00 0.79 H new ATOM 0 HE2 HIS B 48 -10.325 16.177 11.446 1.00 0.81 H new ATOM 2406 N LEU B 49 -6.076 11.847 6.601 1.00 0.41 N ATOM 2407 CA LEU B 49 -4.897 11.320 5.887 1.00 0.42 C ATOM 2408 C LEU B 49 -4.824 11.871 4.448 1.00 0.40 C ATOM 2409 O LEU B 49 -3.840 12.526 4.086 1.00 0.48 O ATOM 2410 CB LEU B 49 -4.924 9.771 5.894 1.00 0.43 C ATOM 2411 CG LEU B 49 -3.729 9.047 5.229 1.00 0.52 C ATOM 2412 CD1 LEU B 49 -2.412 9.427 5.894 1.00 0.88 C ATOM 2413 CD2 LEU B 49 -3.925 7.532 5.266 1.00 0.62 C ATOM 0 H LEU B 49 -6.737 11.127 6.892 1.00 0.41 H new ATOM 0 HA LEU B 49 -3.999 11.654 6.406 1.00 0.42 H new ATOM 0 HB2 LEU B 49 -4.989 9.438 6.930 1.00 0.43 H new ATOM 0 HB3 LEU B 49 -5.837 9.445 5.396 1.00 0.43 H new ATOM 0 HG LEU B 49 -3.687 9.367 4.188 1.00 0.52 H new ATOM 0 HD11 LEU B 49 -1.592 8.902 5.404 1.00 0.88 H new ATOM 0 HD12 LEU B 49 -2.257 10.502 5.807 1.00 0.88 H new ATOM 0 HD13 LEU B 49 -2.443 9.149 6.947 1.00 0.88 H new ATOM 0 HD21 LEU B 49 -3.073 7.043 4.793 1.00 0.62 H new ATOM 0 HD22 LEU B 49 -4.005 7.201 6.301 1.00 0.62 H new ATOM 0 HD23 LEU B 49 -4.837 7.270 4.730 1.00 0.62 H new ATOM 2425 N LEU B 50 -5.867 11.604 3.642 1.00 0.38 N ATOM 2426 CA LEU B 50 -5.932 12.095 2.258 1.00 0.41 C ATOM 2427 C LEU B 50 -6.820 13.350 2.213 1.00 0.45 C ATOM 2428 O LEU B 50 -8.034 13.262 2.432 1.00 0.52 O ATOM 2429 CB LEU B 50 -6.470 10.998 1.304 1.00 0.44 C ATOM 2430 CG LEU B 50 -5.677 9.664 1.279 1.00 0.51 C ATOM 2431 CD1 LEU B 50 -6.394 8.618 0.421 1.00 0.57 C ATOM 2432 CD2 LEU B 50 -4.242 9.873 0.776 1.00 0.70 C ATOM 0 H LEU B 50 -6.675 11.051 3.927 1.00 0.38 H new ATOM 0 HA LEU B 50 -4.928 12.352 1.920 1.00 0.41 H new ATOM 0 HB2 LEU B 50 -7.501 10.779 1.581 1.00 0.44 H new ATOM 0 HB3 LEU B 50 -6.491 11.403 0.292 1.00 0.44 H new ATOM 0 HG LEU B 50 -5.625 9.297 2.304 1.00 0.51 H new ATOM 0 HD11 LEU B 50 -5.819 7.692 0.419 1.00 0.57 H new ATOM 0 HD12 LEU B 50 -7.386 8.428 0.832 1.00 0.57 H new ATOM 0 HD13 LEU B 50 -6.489 8.988 -0.600 1.00 0.57 H new ATOM 0 HD21 LEU B 50 -3.715 8.919 0.771 1.00 0.70 H new ATOM 0 HD22 LEU B 50 -4.266 10.279 -0.235 1.00 0.70 H new ATOM 0 HD23 LEU B 50 -3.724 10.570 1.434 1.00 0.70 H new ATOM 2444 N LYS B 51 -6.197 14.523 1.955 1.00 0.50 N ATOM 2445 CA LYS B 51 -6.915 15.818 1.898 1.00 0.58 C ATOM 2446 C LYS B 51 -8.034 15.845 0.830 1.00 0.53 C ATOM 2447 O LYS B 51 -9.024 16.563 0.996 1.00 0.61 O ATOM 2448 CB LYS B 51 -5.923 16.999 1.697 1.00 0.68 C ATOM 2449 CG LYS B 51 -5.363 17.198 0.272 1.00 0.72 C ATOM 2450 CD LYS B 51 -4.159 16.303 -0.043 1.00 1.06 C ATOM 2451 CE LYS B 51 -3.576 16.600 -1.427 1.00 1.03 C ATOM 2452 NZ LYS B 51 -3.059 17.999 -1.549 1.00 1.23 N ATOM 0 H LYS B 51 -5.195 14.599 1.782 1.00 0.50 H new ATOM 0 HA LYS B 51 -7.408 15.938 2.863 1.00 0.58 H new ATOM 0 HB2 LYS B 51 -6.424 17.919 1.998 1.00 0.68 H new ATOM 0 HB3 LYS B 51 -5.083 16.857 2.376 1.00 0.68 H new ATOM 0 HG2 LYS B 51 -6.153 16.998 -0.451 1.00 0.72 H new ATOM 0 HG3 LYS B 51 -5.073 18.241 0.147 1.00 0.72 H new ATOM 0 HD2 LYS B 51 -3.389 16.450 0.715 1.00 1.06 H new ATOM 0 HD3 LYS B 51 -4.461 15.257 0.007 1.00 1.06 H new ATOM 0 HE2 LYS B 51 -2.767 15.899 -1.634 1.00 1.03 H new ATOM 0 HE3 LYS B 51 -4.343 16.434 -2.183 1.00 1.03 H new ATOM 0 HZ1 LYS B 51 -2.499 18.087 -2.421 1.00 1.23 H new ATOM 0 HZ2 LYS B 51 -3.859 18.663 -1.583 1.00 1.23 H new ATOM 0 HZ3 LYS B 51 -2.460 18.220 -0.728 1.00 1.23 H new ATOM 2466 N ASP B 52 -7.871 15.060 -0.254 1.00 0.48 N ATOM 2467 CA ASP B 52 -8.861 15.003 -1.338 1.00 0.54 C ATOM 2468 C ASP B 52 -10.045 14.079 -0.951 1.00 0.48 C ATOM 2469 O ASP B 52 -10.121 12.928 -1.396 1.00 0.60 O ATOM 2470 CB ASP B 52 -8.176 14.528 -2.643 1.00 0.69 C ATOM 2471 CG ASP B 52 -8.866 15.030 -3.903 1.00 1.20 C ATOM 2472 OD1 ASP B 52 -10.099 15.225 -3.871 1.00 1.94 O ATOM 2473 OD2 ASP B 52 -8.170 15.227 -4.922 1.00 1.78 O ATOM 0 H ASP B 52 -7.061 14.458 -0.398 1.00 0.48 H new ATOM 0 HA ASP B 52 -9.268 16.000 -1.505 1.00 0.54 H new ATOM 0 HB2 ASP B 52 -7.140 14.867 -2.645 1.00 0.69 H new ATOM 0 HB3 ASP B 52 -8.155 13.438 -2.658 1.00 0.69 H new ATOM 2478 N VAL B 53 -10.962 14.598 -0.106 1.00 0.44 N ATOM 2479 CA VAL B 53 -12.142 13.830 0.356 1.00 0.45 C ATOM 2480 C VAL B 53 -13.356 13.974 -0.592 1.00 0.46 C ATOM 2481 O VAL B 53 -14.224 13.096 -0.608 1.00 0.57 O ATOM 2482 CB VAL B 53 -12.562 14.192 1.825 1.00 0.53 C ATOM 2483 CG1 VAL B 53 -11.490 13.746 2.820 1.00 0.60 C ATOM 2484 CG2 VAL B 53 -12.860 15.687 2.004 1.00 0.58 C ATOM 0 H VAL B 53 -10.909 15.544 0.271 1.00 0.44 H new ATOM 0 HA VAL B 53 -11.825 12.787 0.342 1.00 0.45 H new ATOM 0 HB VAL B 53 -13.487 13.652 2.026 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.801 14.007 3.832 1.00 0.60 H new ATOM 0 HG12 VAL B 53 -11.354 12.667 2.749 1.00 0.60 H new ATOM 0 HG13 VAL B 53 -10.549 14.246 2.590 1.00 0.60 H new ATOM 0 HG21 VAL B 53 -13.145 15.880 3.038 1.00 0.58 H new ATOM 0 HG22 VAL B 53 -11.971 16.267 1.759 1.00 0.58 H new ATOM 0 HG23 VAL B 53 -13.676 15.977 1.342 1.00 0.58 H new ATOM 2494 N GLY B 54 -13.420 15.083 -1.367 1.00 0.44 N ATOM 2495 CA GLY B 54 -14.528 15.306 -2.300 1.00 0.51 C ATOM 2496 C GLY B 54 -14.225 14.839 -3.725 1.00 0.51 C ATOM 2497 O GLY B 54 -14.941 13.985 -4.257 1.00 0.67 O ATOM 0 H GLY B 54 -12.720 15.825 -1.359 1.00 0.44 H new ATOM 0 HA2 GLY B 54 -15.412 14.783 -1.934 1.00 0.51 H new ATOM 0 HA3 GLY B 54 -14.770 16.369 -2.317 1.00 0.51 H new ATOM 2501 N SER B 55 -13.163 15.401 -4.348 1.00 0.51 N ATOM 2502 CA SER B 55 -12.768 15.039 -5.729 1.00 0.57 C ATOM 2503 C SER B 55 -12.074 13.655 -5.776 1.00 0.52 C ATOM 2504 O SER B 55 -10.842 13.557 -5.781 1.00 0.63 O ATOM 2505 CB SER B 55 -11.859 16.130 -6.333 1.00 0.74 C ATOM 2506 OG SER B 55 -11.835 16.053 -7.750 1.00 0.92 O ATOM 0 H SER B 55 -12.565 16.106 -3.917 1.00 0.51 H new ATOM 0 HA SER B 55 -13.675 14.971 -6.330 1.00 0.57 H new ATOM 0 HB2 SER B 55 -12.214 17.114 -6.026 1.00 0.74 H new ATOM 0 HB3 SER B 55 -10.847 16.020 -5.943 1.00 0.74 H new ATOM 0 HG SER B 55 -12.401 15.310 -8.047 1.00 0.92 H new ATOM 2512 N LEU B 56 -12.889 12.586 -5.810 1.00 0.47 N ATOM 2513 CA LEU B 56 -12.382 11.195 -5.849 1.00 0.47 C ATOM 2514 C LEU B 56 -11.965 10.748 -7.273 1.00 0.48 C ATOM 2515 O LEU B 56 -11.291 9.725 -7.413 1.00 0.81 O ATOM 2516 CB LEU B 56 -13.451 10.221 -5.271 1.00 0.58 C ATOM 2517 CG LEU B 56 -13.300 9.815 -3.779 1.00 0.75 C ATOM 2518 CD1 LEU B 56 -12.190 8.776 -3.595 1.00 1.09 C ATOM 2519 CD2 LEU B 56 -13.064 11.030 -2.868 1.00 1.24 C ATOM 0 H LEU B 56 -13.907 12.655 -5.811 1.00 0.47 H new ATOM 0 HA LEU B 56 -11.484 11.165 -5.232 1.00 0.47 H new ATOM 0 HB2 LEU B 56 -14.432 10.679 -5.400 1.00 0.58 H new ATOM 0 HB3 LEU B 56 -13.442 9.312 -5.872 1.00 0.58 H new ATOM 0 HG LEU B 56 -14.246 9.363 -3.480 1.00 0.75 H new ATOM 0 HD11 LEU B 56 -12.109 8.513 -2.540 1.00 1.09 H new ATOM 0 HD12 LEU B 56 -12.427 7.884 -4.175 1.00 1.09 H new ATOM 0 HD13 LEU B 56 -11.243 9.191 -3.939 1.00 1.09 H new ATOM 0 HD21 LEU B 56 -12.965 10.696 -1.835 1.00 1.24 H new ATOM 0 HD22 LEU B 56 -12.151 11.542 -3.173 1.00 1.24 H new ATOM 0 HD23 LEU B 56 -13.908 11.715 -2.949 1.00 1.24 H new ATOM 2531 N ASP B 57 -12.347 11.519 -8.325 1.00 0.48 N ATOM 2532 CA ASP B 57 -12.010 11.180 -9.736 1.00 0.49 C ATOM 2533 C ASP B 57 -10.496 10.966 -9.979 1.00 0.44 C ATOM 2534 O ASP B 57 -10.125 10.056 -10.727 1.00 0.46 O ATOM 2535 CB ASP B 57 -12.563 12.235 -10.726 1.00 0.60 C ATOM 2536 CG ASP B 57 -12.134 13.665 -10.416 1.00 0.64 C ATOM 2537 OD1 ASP B 57 -10.960 14.006 -10.675 1.00 0.69 O ATOM 2538 OD2 ASP B 57 -12.976 14.440 -9.915 1.00 0.73 O ATOM 0 H ASP B 57 -12.888 12.378 -8.224 1.00 0.48 H new ATOM 0 HA ASP B 57 -12.500 10.224 -9.923 1.00 0.49 H new ATOM 0 HB2 ASP B 57 -12.235 11.979 -11.734 1.00 0.60 H new ATOM 0 HB3 ASP B 57 -13.652 12.185 -10.723 1.00 0.60 H new ATOM 2543 N GLU B 58 -9.625 11.792 -9.352 1.00 0.45 N ATOM 2544 CA GLU B 58 -8.156 11.652 -9.522 1.00 0.50 C ATOM 2545 C GLU B 58 -7.647 10.322 -8.922 1.00 0.47 C ATOM 2546 O GLU B 58 -6.676 9.751 -9.427 1.00 0.57 O ATOM 2547 CB GLU B 58 -7.399 12.857 -8.906 1.00 0.59 C ATOM 2548 CG GLU B 58 -5.951 13.010 -9.396 1.00 0.73 C ATOM 2549 CD GLU B 58 -5.254 14.247 -8.844 1.00 0.92 C ATOM 2550 OE1 GLU B 58 -5.413 15.334 -9.439 1.00 1.10 O ATOM 2551 OE2 GLU B 58 -4.546 14.124 -7.822 1.00 1.06 O ATOM 0 H GLU B 58 -9.907 12.552 -8.733 1.00 0.45 H new ATOM 0 HA GLU B 58 -7.952 11.639 -10.593 1.00 0.50 H new ATOM 0 HB2 GLU B 58 -7.947 13.771 -9.135 1.00 0.59 H new ATOM 0 HB3 GLU B 58 -7.394 12.752 -7.821 1.00 0.59 H new ATOM 0 HG2 GLU B 58 -5.383 12.124 -9.111 1.00 0.73 H new ATOM 0 HG3 GLU B 58 -5.946 13.055 -10.485 1.00 0.73 H new ATOM 2558 N LYS B 59 -8.315 9.837 -7.850 1.00 0.43 N ATOM 2559 CA LYS B 59 -7.948 8.575 -7.185 1.00 0.48 C ATOM 2560 C LYS B 59 -9.065 7.509 -7.353 1.00 0.54 C ATOM 2561 O LYS B 59 -9.464 6.853 -6.383 1.00 0.91 O ATOM 2562 CB LYS B 59 -7.656 8.829 -5.688 1.00 0.52 C ATOM 2563 CG LYS B 59 -6.311 9.517 -5.399 1.00 0.59 C ATOM 2564 CD LYS B 59 -6.439 11.039 -5.278 1.00 0.79 C ATOM 2565 CE LYS B 59 -5.097 11.704 -4.966 1.00 1.19 C ATOM 2566 NZ LYS B 59 -5.232 13.172 -4.738 1.00 1.47 N ATOM 0 H LYS B 59 -9.116 10.308 -7.428 1.00 0.43 H new ATOM 0 HA LYS B 59 -7.046 8.188 -7.658 1.00 0.48 H new ATOM 0 HB2 LYS B 59 -8.457 9.442 -5.275 1.00 0.52 H new ATOM 0 HB3 LYS B 59 -7.680 7.875 -5.161 1.00 0.52 H new ATOM 0 HG2 LYS B 59 -5.894 9.117 -4.475 1.00 0.59 H new ATOM 0 HG3 LYS B 59 -5.607 9.278 -6.196 1.00 0.59 H new ATOM 0 HD2 LYS B 59 -6.837 11.444 -6.208 1.00 0.79 H new ATOM 0 HD3 LYS B 59 -7.155 11.281 -4.493 1.00 0.79 H new ATOM 0 HE2 LYS B 59 -4.661 11.240 -4.081 1.00 1.19 H new ATOM 0 HE3 LYS B 59 -4.407 11.529 -5.791 1.00 1.19 H new ATOM 0 HZ1 LYS B 59 -4.531 13.480 -4.034 1.00 1.47 H new ATOM 0 HZ2 LYS B 59 -5.071 13.678 -5.632 1.00 1.47 H new ATOM 0 HZ3 LYS B 59 -6.189 13.383 -4.388 1.00 1.47 H new ATOM 2580 N MET B 60 -9.565 7.345 -8.596 1.00 0.40 N ATOM 2581 CA MET B 60 -10.614 6.344 -8.906 1.00 0.43 C ATOM 2582 C MET B 60 -10.312 5.637 -10.239 1.00 0.45 C ATOM 2583 O MET B 60 -10.341 4.403 -10.304 1.00 0.49 O ATOM 2584 CB MET B 60 -12.014 6.994 -8.934 1.00 0.47 C ATOM 2585 CG MET B 60 -13.169 5.991 -8.946 1.00 0.55 C ATOM 2586 SD MET B 60 -14.795 6.778 -8.979 1.00 0.67 S ATOM 2587 CE MET B 60 -15.168 6.741 -10.731 1.00 0.81 C ATOM 0 H MET B 60 -9.261 7.891 -9.402 1.00 0.40 H new ATOM 0 HA MET B 60 -10.610 5.596 -8.113 1.00 0.43 H new ATOM 0 HB2 MET B 60 -12.119 7.642 -8.064 1.00 0.47 H new ATOM 0 HB3 MET B 60 -12.090 7.630 -9.816 1.00 0.47 H new ATOM 0 HG2 MET B 60 -13.069 5.342 -9.816 1.00 0.55 H new ATOM 0 HG3 MET B 60 -13.098 5.355 -8.064 1.00 0.55 H new ATOM 0 HE1 MET B 60 -16.144 7.194 -10.905 1.00 0.81 H new ATOM 0 HE2 MET B 60 -14.407 7.298 -11.277 1.00 0.81 H new ATOM 0 HE3 MET B 60 -15.181 5.708 -11.079 1.00 0.81 H new ATOM 2597 N LYS B 61 -10.031 6.424 -11.299 1.00 0.47 N ATOM 2598 CA LYS B 61 -9.695 5.867 -12.625 1.00 0.53 C ATOM 2599 C LYS B 61 -8.307 5.201 -12.592 1.00 0.48 C ATOM 2600 O LYS B 61 -8.088 4.197 -13.272 1.00 0.52 O ATOM 2601 CB LYS B 61 -9.740 6.958 -13.717 1.00 0.63 C ATOM 2602 CG LYS B 61 -11.121 7.599 -13.892 1.00 0.78 C ATOM 2603 CD LYS B 61 -11.174 8.616 -15.045 1.00 1.13 C ATOM 2604 CE LYS B 61 -10.300 9.856 -14.805 1.00 1.87 C ATOM 2605 NZ LYS B 61 -10.600 10.543 -13.508 1.00 2.39 N ATOM 0 H LYS B 61 -10.030 7.443 -11.262 1.00 0.47 H new ATOM 0 HA LYS B 61 -10.442 5.112 -12.871 1.00 0.53 H new ATOM 0 HB2 LYS B 61 -9.017 7.736 -13.471 1.00 0.63 H new ATOM 0 HB3 LYS B 61 -9.429 6.522 -14.666 1.00 0.63 H new ATOM 0 HG2 LYS B 61 -11.858 6.816 -14.072 1.00 0.78 H new ATOM 0 HG3 LYS B 61 -11.404 8.096 -12.964 1.00 0.78 H new ATOM 0 HD2 LYS B 61 -10.854 8.128 -15.965 1.00 1.13 H new ATOM 0 HD3 LYS B 61 -12.207 8.932 -15.194 1.00 1.13 H new ATOM 0 HE2 LYS B 61 -9.250 9.562 -14.820 1.00 1.87 H new ATOM 0 HE3 LYS B 61 -10.445 10.560 -15.624 1.00 1.87 H new ATOM 0 HZ1 LYS B 61 -10.148 11.480 -13.498 1.00 2.39 H new ATOM 0 HZ2 LYS B 61 -11.629 10.654 -13.404 1.00 2.39 H new ATOM 0 HZ3 LYS B 61 -10.232 9.973 -12.720 1.00 2.39 H new ATOM 2619 N SER B 62 -7.380 5.767 -11.786 1.00 0.46 N ATOM 2620 CA SER B 62 -6.019 5.223 -11.634 1.00 0.47 C ATOM 2621 C SER B 62 -6.017 3.913 -10.827 1.00 0.44 C ATOM 2622 O SER B 62 -5.174 3.045 -11.071 1.00 0.50 O ATOM 2623 CB SER B 62 -5.100 6.254 -10.963 1.00 0.54 C ATOM 2624 OG SER B 62 -4.977 7.421 -11.761 1.00 0.63 O ATOM 0 H SER B 62 -7.555 6.604 -11.230 1.00 0.46 H new ATOM 0 HA SER B 62 -5.642 5.003 -12.633 1.00 0.47 H new ATOM 0 HB2 SER B 62 -5.499 6.519 -9.984 1.00 0.54 H new ATOM 0 HB3 SER B 62 -4.115 5.816 -10.798 1.00 0.54 H new ATOM 0 HG SER B 62 -4.389 8.064 -11.312 1.00 0.63 H new ATOM 2630 N LEU B 63 -6.959 3.773 -9.862 1.00 0.41 N ATOM 2631 CA LEU B 63 -7.058 2.550 -9.046 1.00 0.44 C ATOM 2632 C LEU B 63 -7.637 1.400 -9.884 1.00 0.47 C ATOM 2633 O LEU B 63 -6.966 0.390 -10.096 1.00 0.57 O ATOM 2634 CB LEU B 63 -7.929 2.763 -7.778 1.00 0.45 C ATOM 2635 CG LEU B 63 -7.635 4.016 -6.922 1.00 0.42 C ATOM 2636 CD1 LEU B 63 -8.492 4.005 -5.653 1.00 0.47 C ATOM 2637 CD2 LEU B 63 -6.146 4.127 -6.576 1.00 0.69 C ATOM 0 H LEU B 63 -7.652 4.487 -9.636 1.00 0.41 H new ATOM 0 HA LEU B 63 -6.050 2.297 -8.718 1.00 0.44 H new ATOM 0 HB2 LEU B 63 -8.973 2.803 -8.088 1.00 0.45 H new ATOM 0 HB3 LEU B 63 -7.819 1.885 -7.141 1.00 0.45 H new ATOM 0 HG LEU B 63 -7.896 4.894 -7.512 1.00 0.42 H new ATOM 0 HD11 LEU B 63 -8.275 4.893 -5.060 1.00 0.47 H new ATOM 0 HD12 LEU B 63 -9.547 4.001 -5.927 1.00 0.47 H new ATOM 0 HD13 LEU B 63 -8.265 3.113 -5.068 1.00 0.47 H new ATOM 0 HD21 LEU B 63 -5.978 5.020 -5.974 1.00 0.69 H new ATOM 0 HD22 LEU B 63 -5.837 3.246 -6.013 1.00 0.69 H new ATOM 0 HD23 LEU B 63 -5.563 4.194 -7.495 1.00 0.69 H new ATOM 2649 N ASP B 64 -8.880 1.582 -10.388 1.00 0.47 N ATOM 2650 CA ASP B 64 -9.554 0.571 -11.215 1.00 0.55 C ATOM 2651 C ASP B 64 -9.143 0.756 -12.694 1.00 0.53 C ATOM 2652 O ASP B 64 -9.933 1.212 -13.528 1.00 0.60 O ATOM 2653 CB ASP B 64 -11.091 0.661 -11.024 1.00 0.66 C ATOM 2654 CG ASP B 64 -11.821 -0.631 -11.374 1.00 0.85 C ATOM 2655 OD1 ASP B 64 -11.718 -1.601 -10.593 1.00 1.27 O ATOM 2656 OD2 ASP B 64 -12.498 -0.668 -12.422 1.00 1.32 O ATOM 0 H ASP B 64 -9.433 2.425 -10.232 1.00 0.47 H new ATOM 0 HA ASP B 64 -9.247 -0.427 -10.903 1.00 0.55 H new ATOM 0 HB2 ASP B 64 -11.306 0.922 -9.988 1.00 0.66 H new ATOM 0 HB3 ASP B 64 -11.480 1.469 -11.644 1.00 0.66 H new ATOM 2661 N VAL B 65 -7.871 0.409 -12.995 1.00 0.53 N ATOM 2662 CA VAL B 65 -7.304 0.532 -14.355 1.00 0.56 C ATOM 2663 C VAL B 65 -7.864 -0.545 -15.319 1.00 0.56 C ATOM 2664 O VAL B 65 -7.965 -0.300 -16.525 1.00 0.61 O ATOM 2665 CB VAL B 65 -5.731 0.494 -14.321 1.00 0.64 C ATOM 2666 CG1 VAL B 65 -5.183 -0.878 -13.901 1.00 0.68 C ATOM 2667 CG2 VAL B 65 -5.131 0.940 -15.663 1.00 0.72 C ATOM 0 H VAL B 65 -7.214 0.039 -12.308 1.00 0.53 H new ATOM 0 HA VAL B 65 -7.612 1.503 -14.742 1.00 0.56 H new ATOM 0 HB VAL B 65 -5.421 1.206 -13.556 1.00 0.64 H new ATOM 0 HG11 VAL B 65 -4.093 -0.848 -13.894 1.00 0.68 H new ATOM 0 HG12 VAL B 65 -5.545 -1.125 -12.903 1.00 0.68 H new ATOM 0 HG13 VAL B 65 -5.521 -1.636 -14.607 1.00 0.68 H new ATOM 0 HG21 VAL B 65 -4.043 0.902 -15.606 1.00 0.72 H new ATOM 0 HG22 VAL B 65 -5.476 0.275 -16.455 1.00 0.72 H new ATOM 0 HG23 VAL B 65 -5.448 1.960 -15.882 1.00 0.72 H new ATOM 2677 N ASN B 66 -8.230 -1.728 -14.778 1.00 0.56 N ATOM 2678 CA ASN B 66 -8.781 -2.838 -15.588 1.00 0.60 C ATOM 2679 C ASN B 66 -10.249 -2.578 -16.009 1.00 0.61 C ATOM 2680 O ASN B 66 -10.711 -3.164 -16.992 1.00 0.68 O ATOM 2681 CB ASN B 66 -8.660 -4.168 -14.815 1.00 0.65 C ATOM 2682 CG ASN B 66 -8.862 -5.400 -15.696 1.00 0.90 C ATOM 2683 OD1 ASN B 66 -7.900 -5.955 -16.227 1.00 1.38 O ATOM 2684 ND2 ASN B 66 -10.113 -5.833 -15.858 1.00 1.32 N ATOM 0 H ASN B 66 -8.154 -1.939 -13.783 1.00 0.56 H new ATOM 0 HA ASN B 66 -8.194 -2.904 -16.504 1.00 0.60 H new ATOM 0 HB2 ASN B 66 -7.676 -4.221 -14.349 1.00 0.65 H new ATOM 0 HB3 ASN B 66 -9.395 -4.181 -14.010 1.00 0.65 H new ATOM 0 HD21 ASN B 66 -10.298 -6.651 -16.438 1.00 1.32 H new ATOM 0 HD22 ASN B 66 -10.884 -5.346 -15.401 1.00 1.32 H new ATOM 2691 N GLN B 67 -10.980 -1.712 -15.257 1.00 0.59 N ATOM 2692 CA GLN B 67 -12.389 -1.354 -15.559 1.00 0.64 C ATOM 2693 C GLN B 67 -13.331 -2.570 -15.403 1.00 0.64 C ATOM 2694 O GLN B 67 -13.764 -3.167 -16.400 1.00 0.77 O ATOM 2695 CB GLN B 67 -12.522 -0.729 -16.977 1.00 0.75 C ATOM 2696 CG GLN B 67 -11.596 0.466 -17.243 1.00 0.96 C ATOM 2697 CD GLN B 67 -12.219 1.812 -16.887 1.00 1.28 C ATOM 2698 OE1 GLN B 67 -12.100 2.280 -15.755 1.00 2.02 O ATOM 2699 NE2 GLN B 67 -12.889 2.444 -17.857 1.00 1.87 N ATOM 0 H GLN B 67 -10.610 -1.246 -14.429 1.00 0.59 H new ATOM 0 HA GLN B 67 -12.694 -0.603 -14.830 1.00 0.64 H new ATOM 0 HB2 GLN B 67 -12.318 -1.501 -17.719 1.00 0.75 H new ATOM 0 HB3 GLN B 67 -13.554 -0.410 -17.123 1.00 0.75 H new ATOM 0 HG2 GLN B 67 -10.677 0.338 -16.671 1.00 0.96 H new ATOM 0 HG3 GLN B 67 -11.317 0.471 -18.297 1.00 0.96 H new ATOM 0 HE21 GLN B 67 -12.965 2.022 -18.783 1.00 1.87 H new ATOM 0 HE22 GLN B 67 -13.324 3.348 -17.671 1.00 1.87 H new ATOM 2708 N ASP B 68 -13.619 -2.946 -14.141 1.00 0.65 N ATOM 2709 CA ASP B 68 -14.510 -4.089 -13.841 1.00 0.72 C ATOM 2710 C ASP B 68 -15.303 -3.909 -12.512 1.00 0.79 C ATOM 2711 O ASP B 68 -15.923 -4.868 -12.034 1.00 1.30 O ATOM 2712 CB ASP B 68 -13.666 -5.384 -13.799 1.00 0.76 C ATOM 2713 CG ASP B 68 -14.464 -6.637 -14.132 1.00 0.97 C ATOM 2714 OD1 ASP B 68 -14.562 -6.979 -15.333 1.00 1.16 O ATOM 2715 OD2 ASP B 68 -14.987 -7.278 -13.197 1.00 1.25 O ATOM 0 H ASP B 68 -13.250 -2.477 -13.314 1.00 0.65 H new ATOM 0 HA ASP B 68 -15.257 -4.148 -14.633 1.00 0.72 H new ATOM 0 HB2 ASP B 68 -12.838 -5.292 -14.502 1.00 0.76 H new ATOM 0 HB3 ASP B 68 -13.230 -5.493 -12.806 1.00 0.76 H new ATOM 2720 N SER B 69 -15.306 -2.677 -11.929 1.00 0.66 N ATOM 2721 CA SER B 69 -16.006 -2.375 -10.653 1.00 0.71 C ATOM 2722 C SER B 69 -15.517 -3.249 -9.464 1.00 0.71 C ATOM 2723 O SER B 69 -16.252 -3.440 -8.485 1.00 1.26 O ATOM 2724 CB SER B 69 -17.537 -2.493 -10.822 1.00 0.86 C ATOM 2725 OG SER B 69 -18.018 -1.569 -11.788 1.00 1.35 O ATOM 0 H SER B 69 -14.825 -1.872 -12.330 1.00 0.66 H new ATOM 0 HA SER B 69 -15.754 -1.344 -10.404 1.00 0.71 H new ATOM 0 HB2 SER B 69 -17.795 -3.508 -11.125 1.00 0.86 H new ATOM 0 HB3 SER B 69 -18.027 -2.311 -9.865 1.00 0.86 H new ATOM 0 HG SER B 69 -18.989 -1.665 -11.877 1.00 1.35 H new ATOM 2731 N GLU B 70 -14.264 -3.757 -9.541 1.00 0.69 N ATOM 2732 CA GLU B 70 -13.667 -4.593 -8.479 1.00 0.75 C ATOM 2733 C GLU B 70 -12.204 -4.169 -8.266 1.00 0.62 C ATOM 2734 O GLU B 70 -11.326 -4.536 -9.056 1.00 0.78 O ATOM 2735 CB GLU B 70 -13.757 -6.094 -8.841 1.00 1.11 C ATOM 2736 CG GLU B 70 -15.186 -6.636 -8.924 1.00 1.39 C ATOM 2737 CD GLU B 70 -15.251 -8.101 -9.328 1.00 1.87 C ATOM 2738 OE1 GLU B 70 -14.757 -8.441 -10.426 1.00 2.37 O ATOM 2739 OE2 GLU B 70 -15.798 -8.909 -8.547 1.00 2.40 O ATOM 0 H GLU B 70 -13.645 -3.599 -10.336 1.00 0.69 H new ATOM 0 HA GLU B 70 -14.223 -4.446 -7.553 1.00 0.75 H new ATOM 0 HB2 GLU B 70 -13.263 -6.255 -9.799 1.00 1.11 H new ATOM 0 HB3 GLU B 70 -13.205 -6.669 -8.097 1.00 1.11 H new ATOM 0 HG2 GLU B 70 -15.671 -6.511 -7.956 1.00 1.39 H new ATOM 0 HG3 GLU B 70 -15.751 -6.043 -9.643 1.00 1.39 H new ATOM 2746 N LEU B 71 -11.951 -3.390 -7.194 1.00 0.54 N ATOM 2747 CA LEU B 71 -10.604 -2.875 -6.890 1.00 0.51 C ATOM 2748 C LEU B 71 -9.811 -3.841 -5.992 1.00 0.50 C ATOM 2749 O LEU B 71 -9.850 -3.719 -4.764 1.00 0.52 O ATOM 2750 CB LEU B 71 -10.677 -1.482 -6.202 1.00 0.58 C ATOM 2751 CG LEU B 71 -11.103 -0.284 -7.086 1.00 0.78 C ATOM 2752 CD1 LEU B 71 -12.589 -0.350 -7.461 1.00 1.13 C ATOM 2753 CD2 LEU B 71 -10.786 1.041 -6.378 1.00 0.92 C ATOM 0 H LEU B 71 -12.665 -3.104 -6.524 1.00 0.54 H new ATOM 0 HA LEU B 71 -10.085 -2.780 -7.844 1.00 0.51 H new ATOM 0 HB2 LEU B 71 -11.375 -1.552 -5.367 1.00 0.58 H new ATOM 0 HB3 LEU B 71 -9.697 -1.260 -5.780 1.00 0.58 H new ATOM 0 HG LEU B 71 -10.530 -0.338 -8.012 1.00 0.78 H new ATOM 0 HD11 LEU B 71 -12.846 0.509 -8.081 1.00 1.13 H new ATOM 0 HD12 LEU B 71 -12.784 -1.269 -8.014 1.00 1.13 H new ATOM 0 HD13 LEU B 71 -13.194 -0.337 -6.554 1.00 1.13 H new ATOM 0 HD21 LEU B 71 -11.091 1.874 -7.011 1.00 0.92 H new ATOM 0 HD22 LEU B 71 -11.327 1.087 -5.433 1.00 0.92 H new ATOM 0 HD23 LEU B 71 -9.715 1.104 -6.187 1.00 0.92 H new ATOM 2765 N LYS B 72 -9.096 -4.806 -6.607 1.00 0.52 N ATOM 2766 CA LYS B 72 -8.245 -5.756 -5.845 1.00 0.54 C ATOM 2767 C LYS B 72 -7.072 -4.982 -5.218 1.00 0.48 C ATOM 2768 O LYS B 72 -6.932 -3.787 -5.484 1.00 0.46 O ATOM 2769 CB LYS B 72 -7.705 -6.874 -6.765 1.00 0.60 C ATOM 2770 CG LYS B 72 -8.747 -7.916 -7.169 1.00 0.78 C ATOM 2771 CD LYS B 72 -8.172 -8.932 -8.162 1.00 0.91 C ATOM 2772 CE LYS B 72 -9.119 -10.099 -8.427 1.00 1.29 C ATOM 2773 NZ LYS B 72 -9.203 -11.044 -7.271 1.00 1.81 N ATOM 0 H LYS B 72 -9.087 -4.951 -7.617 1.00 0.52 H new ATOM 0 HA LYS B 72 -8.845 -6.223 -5.064 1.00 0.54 H new ATOM 0 HB2 LYS B 72 -7.295 -6.419 -7.667 1.00 0.60 H new ATOM 0 HB3 LYS B 72 -6.882 -7.378 -6.259 1.00 0.60 H new ATOM 0 HG2 LYS B 72 -9.105 -8.437 -6.281 1.00 0.78 H new ATOM 0 HG3 LYS B 72 -9.608 -7.417 -7.615 1.00 0.78 H new ATOM 0 HD2 LYS B 72 -7.951 -8.429 -9.103 1.00 0.91 H new ATOM 0 HD3 LYS B 72 -7.228 -9.316 -7.776 1.00 0.91 H new ATOM 0 HE2 LYS B 72 -10.114 -9.712 -8.649 1.00 1.29 H new ATOM 0 HE3 LYS B 72 -8.784 -10.641 -9.311 1.00 1.29 H new ATOM 0 HZ1 LYS B 72 -9.832 -11.836 -7.515 1.00 1.81 H new ATOM 0 HZ2 LYS B 72 -8.254 -11.410 -7.052 1.00 1.81 H new ATOM 0 HZ3 LYS B 72 -9.581 -10.544 -6.441 1.00 1.81 H new ATOM 2787 N PHE B 73 -6.222 -5.627 -4.392 1.00 0.51 N ATOM 2788 CA PHE B 73 -5.081 -4.905 -3.789 1.00 0.49 C ATOM 2789 C PHE B 73 -4.050 -4.479 -4.862 1.00 0.46 C ATOM 2790 O PHE B 73 -3.256 -3.575 -4.612 1.00 0.46 O ATOM 2791 CB PHE B 73 -4.411 -5.703 -2.652 1.00 0.55 C ATOM 2792 CG PHE B 73 -3.829 -4.819 -1.563 1.00 0.69 C ATOM 2793 CD1 PHE B 73 -2.539 -4.318 -1.663 1.00 0.89 C ATOM 2794 CD2 PHE B 73 -4.587 -4.480 -0.446 1.00 0.90 C ATOM 2795 CE1 PHE B 73 -2.018 -3.502 -0.677 1.00 1.14 C ATOM 2796 CE2 PHE B 73 -4.068 -3.666 0.542 1.00 1.15 C ATOM 2797 CZ PHE B 73 -2.783 -3.174 0.427 1.00 1.23 C ATOM 0 H PHE B 73 -6.297 -6.611 -4.134 1.00 0.51 H new ATOM 0 HA PHE B 73 -5.489 -4.000 -3.338 1.00 0.49 H new ATOM 0 HB2 PHE B 73 -5.144 -6.378 -2.210 1.00 0.55 H new ATOM 0 HB3 PHE B 73 -3.618 -6.323 -3.070 1.00 0.55 H new ATOM 0 HD1 PHE B 73 -1.935 -4.569 -2.522 1.00 0.89 H new ATOM 0 HD2 PHE B 73 -5.594 -4.858 -0.350 1.00 0.90 H new ATOM 0 HE1 PHE B 73 -1.012 -3.120 -0.769 1.00 1.14 H new ATOM 0 HE2 PHE B 73 -4.667 -3.414 1.404 1.00 1.15 H new ATOM 0 HZ PHE B 73 -2.377 -2.535 1.197 1.00 1.23 H new ATOM 2807 N ASN B 74 -4.066 -5.142 -6.053 1.00 0.47 N ATOM 2808 CA ASN B 74 -3.181 -4.768 -7.174 1.00 0.50 C ATOM 2809 C ASN B 74 -3.732 -3.495 -7.874 1.00 0.48 C ATOM 2810 O ASN B 74 -2.953 -2.698 -8.399 1.00 0.54 O ATOM 2811 CB ASN B 74 -3.039 -5.932 -8.188 1.00 0.55 C ATOM 2812 CG ASN B 74 -2.020 -5.644 -9.294 1.00 0.63 C ATOM 2813 OD1 ASN B 74 -2.364 -5.080 -10.331 1.00 0.99 O ATOM 2814 ND2 ASN B 74 -0.759 -6.028 -9.081 1.00 0.93 N ATOM 0 H ASN B 74 -4.681 -5.931 -6.252 1.00 0.47 H new ATOM 0 HA ASN B 74 -2.189 -4.555 -6.777 1.00 0.50 H new ATOM 0 HB2 ASN B 74 -2.743 -6.836 -7.655 1.00 0.55 H new ATOM 0 HB3 ASN B 74 -4.010 -6.133 -8.640 1.00 0.55 H new ATOM 0 HD21 ASN B 74 -0.047 -5.856 -9.790 1.00 0.93 H new ATOM 0 HD22 ASN B 74 -0.508 -6.494 -8.209 1.00 0.93 H new ATOM 2821 N GLU B 75 -5.082 -3.324 -7.884 1.00 0.44 N ATOM 2822 CA GLU B 75 -5.739 -2.136 -8.480 1.00 0.47 C ATOM 2823 C GLU B 75 -5.775 -0.981 -7.453 1.00 0.41 C ATOM 2824 O GLU B 75 -5.413 0.151 -7.778 1.00 0.42 O ATOM 2825 CB GLU B 75 -7.167 -2.484 -8.972 1.00 0.54 C ATOM 2826 CG GLU B 75 -7.228 -3.064 -10.390 1.00 0.64 C ATOM 2827 CD GLU B 75 -6.597 -4.443 -10.518 1.00 0.76 C ATOM 2828 OE1 GLU B 75 -7.258 -5.435 -10.149 1.00 0.91 O ATOM 2829 OE2 GLU B 75 -5.444 -4.525 -10.993 1.00 0.93 O ATOM 0 H GLU B 75 -5.735 -3.998 -7.484 1.00 0.44 H new ATOM 0 HA GLU B 75 -5.160 -1.814 -9.345 1.00 0.47 H new ATOM 0 HB2 GLU B 75 -7.611 -3.200 -8.281 1.00 0.54 H new ATOM 0 HB3 GLU B 75 -7.780 -1.583 -8.935 1.00 0.54 H new ATOM 0 HG2 GLU B 75 -8.270 -3.121 -10.704 1.00 0.64 H new ATOM 0 HG3 GLU B 75 -6.726 -2.380 -11.074 1.00 0.64 H new ATOM 2836 N TYR B 76 -6.214 -1.293 -6.208 1.00 0.41 N ATOM 2837 CA TYR B 76 -6.252 -0.322 -5.081 1.00 0.39 C ATOM 2838 C TYR B 76 -4.816 0.124 -4.705 1.00 0.36 C ATOM 2839 O TYR B 76 -4.631 1.157 -4.062 1.00 0.43 O ATOM 2840 CB TYR B 76 -6.946 -0.970 -3.860 1.00 0.43 C ATOM 2841 CG TYR B 76 -7.465 0.008 -2.813 1.00 0.44 C ATOM 2842 CD1 TYR B 76 -8.633 0.736 -3.034 1.00 0.50 C ATOM 2843 CD2 TYR B 76 -6.807 0.183 -1.597 1.00 0.52 C ATOM 2844 CE1 TYR B 76 -9.123 1.606 -2.083 1.00 0.58 C ATOM 2845 CE2 TYR B 76 -7.297 1.048 -0.637 1.00 0.59 C ATOM 2846 CZ TYR B 76 -8.455 1.756 -0.883 1.00 0.59 C ATOM 2847 OH TYR B 76 -8.949 2.613 0.079 1.00 0.71 O ATOM 0 H TYR B 76 -6.551 -2.222 -5.955 1.00 0.41 H new ATOM 0 HA TYR B 76 -6.817 0.558 -5.389 1.00 0.39 H new ATOM 0 HB2 TYR B 76 -7.781 -1.574 -4.215 1.00 0.43 H new ATOM 0 HB3 TYR B 76 -6.242 -1.650 -3.381 1.00 0.43 H new ATOM 0 HD1 TYR B 76 -9.164 0.616 -3.967 1.00 0.50 H new ATOM 0 HD2 TYR B 76 -5.898 -0.367 -1.401 1.00 0.52 H new ATOM 0 HE1 TYR B 76 -10.025 2.168 -2.275 1.00 0.58 H new ATOM 0 HE2 TYR B 76 -6.776 1.169 0.301 1.00 0.59 H new ATOM 0 HH TYR B 76 -8.360 2.600 0.862 1.00 0.71 H new ATOM 2857 N TRP B 77 -3.824 -0.717 -5.098 1.00 0.39 N ATOM 2858 CA TRP B 77 -2.368 -0.498 -4.921 1.00 0.40 C ATOM 2859 C TRP B 77 -1.943 0.990 -4.988 1.00 0.35 C ATOM 2860 O TRP B 77 -1.209 1.460 -4.112 1.00 0.37 O ATOM 2861 CB TRP B 77 -1.672 -1.305 -6.042 1.00 0.58 C ATOM 2862 CG TRP B 77 -0.172 -1.296 -6.093 1.00 0.48 C ATOM 2863 CD1 TRP B 77 0.712 -1.188 -5.059 1.00 0.56 C ATOM 2864 CD2 TRP B 77 0.611 -1.442 -7.282 1.00 0.74 C ATOM 2865 NE1 TRP B 77 1.999 -1.245 -5.539 1.00 0.79 N ATOM 2866 CE2 TRP B 77 1.959 -1.396 -6.905 1.00 0.94 C ATOM 2867 CE3 TRP B 77 0.290 -1.594 -8.639 1.00 0.98 C ATOM 2868 CZ2 TRP B 77 2.989 -1.506 -7.833 1.00 1.34 C ATOM 2869 CZ3 TRP B 77 1.313 -1.701 -9.557 1.00 1.37 C ATOM 2870 CH2 TRP B 77 2.651 -1.653 -9.151 1.00 1.54 C ATOM 0 H TRP B 77 -4.027 -1.601 -5.565 1.00 0.39 H new ATOM 0 HA TRP B 77 -2.078 -0.826 -3.923 1.00 0.40 H new ATOM 0 HB2 TRP B 77 -1.996 -2.342 -5.957 1.00 0.58 H new ATOM 0 HB3 TRP B 77 -2.040 -0.933 -6.998 1.00 0.58 H new ATOM 0 HD1 TRP B 77 0.441 -1.075 -4.020 1.00 0.56 H new ATOM 0 HE1 TRP B 77 2.846 -1.185 -4.974 1.00 0.79 H new ATOM 0 HE3 TRP B 77 -0.741 -1.627 -8.959 1.00 0.98 H new ATOM 0 HZ2 TRP B 77 4.023 -1.476 -7.523 1.00 1.34 H new ATOM 0 HZ3 TRP B 77 1.078 -1.824 -10.604 1.00 1.37 H new ATOM 0 HH2 TRP B 77 3.432 -1.734 -9.892 1.00 1.54 H new ATOM 2881 N ARG B 78 -2.405 1.715 -6.031 1.00 0.37 N ATOM 2882 CA ARG B 78 -2.062 3.144 -6.233 1.00 0.41 C ATOM 2883 C ARG B 78 -2.459 4.029 -5.032 1.00 0.38 C ATOM 2884 O ARG B 78 -1.733 4.972 -4.701 1.00 0.45 O ATOM 2885 CB ARG B 78 -2.723 3.684 -7.522 1.00 0.49 C ATOM 2886 CG ARG B 78 -2.102 3.169 -8.824 1.00 0.68 C ATOM 2887 CD ARG B 78 -0.900 4.001 -9.284 1.00 0.88 C ATOM 2888 NE ARG B 78 -1.298 5.314 -9.838 1.00 1.17 N ATOM 2889 CZ ARG B 78 -0.996 5.785 -11.075 1.00 1.72 C ATOM 2890 NH1 ARG B 78 -0.252 5.080 -11.943 1.00 2.14 N ATOM 2891 NH2 ARG B 78 -1.442 6.988 -11.443 1.00 2.15 N ATOM 0 H ARG B 78 -3.019 1.333 -6.750 1.00 0.37 H new ATOM 0 HA ARG B 78 -0.977 3.192 -6.328 1.00 0.41 H new ATOM 0 HB2 ARG B 78 -3.780 3.419 -7.510 1.00 0.49 H new ATOM 0 HB3 ARG B 78 -2.667 4.773 -7.514 1.00 0.49 H new ATOM 0 HG2 ARG B 78 -1.789 2.134 -8.686 1.00 0.68 H new ATOM 0 HG3 ARG B 78 -2.860 3.171 -9.607 1.00 0.68 H new ATOM 0 HD2 ARG B 78 -0.225 4.155 -8.442 1.00 0.88 H new ATOM 0 HD3 ARG B 78 -0.345 3.445 -10.039 1.00 0.88 H new ATOM 0 HE ARG B 78 -1.851 5.922 -9.234 1.00 1.17 H new ATOM 0 HH11 ARG B 78 0.105 4.161 -11.680 1.00 2.14 H new ATOM 0 HH12 ARG B 78 -0.044 5.463 -12.865 1.00 2.14 H new ATOM 0 HH21 ARG B 78 -2.003 7.543 -10.797 1.00 2.15 H new ATOM 0 HH22 ARG B 78 -1.221 7.352 -12.370 1.00 2.15 H new ATOM 2905 N LEU B 79 -3.603 3.721 -4.382 1.00 0.33 N ATOM 2906 CA LEU B 79 -4.072 4.498 -3.217 1.00 0.34 C ATOM 2907 C LEU B 79 -3.240 4.180 -1.963 1.00 0.32 C ATOM 2908 O LEU B 79 -2.925 5.094 -1.200 1.00 0.36 O ATOM 2909 CB LEU B 79 -5.576 4.257 -2.938 1.00 0.36 C ATOM 2910 CG LEU B 79 -6.325 5.421 -2.234 1.00 0.41 C ATOM 2911 CD1 LEU B 79 -6.426 6.647 -3.145 1.00 0.49 C ATOM 2912 CD2 LEU B 79 -7.713 4.973 -1.762 1.00 0.48 C ATOM 0 H LEU B 79 -4.213 2.946 -4.643 1.00 0.33 H new ATOM 0 HA LEU B 79 -3.938 5.552 -3.462 1.00 0.34 H new ATOM 0 HB2 LEU B 79 -6.074 4.049 -3.885 1.00 0.36 H new ATOM 0 HB3 LEU B 79 -5.674 3.362 -2.324 1.00 0.36 H new ATOM 0 HG LEU B 79 -5.745 5.707 -1.356 1.00 0.41 H new ATOM 0 HD11 LEU B 79 -6.955 7.445 -2.624 1.00 0.49 H new ATOM 0 HD12 LEU B 79 -5.425 6.988 -3.409 1.00 0.49 H new ATOM 0 HD13 LEU B 79 -6.970 6.383 -4.052 1.00 0.49 H new ATOM 0 HD21 LEU B 79 -8.217 5.806 -1.272 1.00 0.48 H new ATOM 0 HD22 LEU B 79 -8.301 4.646 -2.620 1.00 0.48 H new ATOM 0 HD23 LEU B 79 -7.609 4.147 -1.058 1.00 0.48 H new ATOM 2924 N ILE B 80 -2.872 2.889 -1.757 1.00 0.34 N ATOM 2925 CA ILE B 80 -2.046 2.480 -0.592 1.00 0.37 C ATOM 2926 C ILE B 80 -0.671 3.187 -0.648 1.00 0.36 C ATOM 2927 O ILE B 80 -0.071 3.465 0.396 1.00 0.39 O ATOM 2928 CB ILE B 80 -1.868 0.924 -0.498 1.00 0.44 C ATOM 2929 CG1 ILE B 80 -3.249 0.207 -0.427 1.00 0.47 C ATOM 2930 CG2 ILE B 80 -0.979 0.518 0.696 1.00 0.54 C ATOM 2931 CD1 ILE B 80 -4.042 0.410 0.864 1.00 0.56 C ATOM 0 H ILE B 80 -3.131 2.121 -2.376 1.00 0.34 H new ATOM 0 HA ILE B 80 -2.575 2.788 0.310 1.00 0.37 H new ATOM 0 HB ILE B 80 -1.360 0.603 -1.408 1.00 0.44 H new ATOM 0 HG12 ILE B 80 -3.858 0.551 -1.263 1.00 0.47 H new ATOM 0 HG13 ILE B 80 -3.089 -0.862 -0.568 1.00 0.47 H new ATOM 0 HG21 ILE B 80 -0.882 -0.567 0.725 1.00 0.54 H new ATOM 0 HG22 ILE B 80 0.007 0.968 0.585 1.00 0.54 H new ATOM 0 HG23 ILE B 80 -1.434 0.866 1.623 1.00 0.54 H new ATOM 0 HD11 ILE B 80 -4.985 -0.134 0.801 1.00 0.56 H new ATOM 0 HD12 ILE B 80 -3.463 0.037 1.709 1.00 0.56 H new ATOM 0 HD13 ILE B 80 -4.245 1.472 1.003 1.00 0.56 H new ATOM 2943 N GLY B 81 -0.176 3.458 -1.879 1.00 0.36 N ATOM 2944 CA GLY B 81 1.072 4.195 -2.055 1.00 0.39 C ATOM 2945 C GLY B 81 0.908 5.645 -1.613 1.00 0.37 C ATOM 2946 O GLY B 81 1.800 6.204 -0.978 1.00 0.42 O ATOM 0 H GLY B 81 -0.626 3.175 -2.750 1.00 0.36 H new ATOM 0 HA2 GLY B 81 1.865 3.721 -1.477 1.00 0.39 H new ATOM 0 HA3 GLY B 81 1.376 4.161 -3.101 1.00 0.39 H new ATOM 2950 N GLU B 82 -0.262 6.238 -1.948 1.00 0.34 N ATOM 2951 CA GLU B 82 -0.598 7.621 -1.568 1.00 0.36 C ATOM 2952 C GLU B 82 -0.917 7.724 -0.055 1.00 0.33 C ATOM 2953 O GLU B 82 -0.749 8.792 0.533 1.00 0.40 O ATOM 2954 CB GLU B 82 -1.793 8.143 -2.399 1.00 0.41 C ATOM 2955 CG GLU B 82 -1.524 8.273 -3.902 1.00 0.49 C ATOM 2956 CD GLU B 82 -0.566 9.403 -4.252 1.00 0.61 C ATOM 2957 OE1 GLU B 82 -1.030 10.557 -4.377 1.00 0.91 O ATOM 2958 OE2 GLU B 82 0.644 9.132 -4.403 1.00 0.79 O ATOM 0 H GLU B 82 -0.992 5.771 -2.486 1.00 0.34 H new ATOM 0 HA GLU B 82 0.273 8.242 -1.778 1.00 0.36 H new ATOM 0 HB2 GLU B 82 -2.640 7.472 -2.253 1.00 0.41 H new ATOM 0 HB3 GLU B 82 -2.088 9.118 -2.012 1.00 0.41 H new ATOM 0 HG2 GLU B 82 -1.115 7.333 -4.272 1.00 0.49 H new ATOM 0 HG3 GLU B 82 -2.469 8.435 -4.420 1.00 0.49 H new ATOM 2965 N LEU B 83 -1.387 6.609 0.563 1.00 0.33 N ATOM 2966 CA LEU B 83 -1.706 6.566 2.011 1.00 0.35 C ATOM 2967 C LEU B 83 -0.460 6.909 2.860 1.00 0.37 C ATOM 2968 O LEU B 83 -0.475 7.875 3.622 1.00 0.45 O ATOM 2969 CB LEU B 83 -2.259 5.167 2.417 1.00 0.42 C ATOM 2970 CG LEU B 83 -3.795 5.052 2.606 1.00 0.51 C ATOM 2971 CD1 LEU B 83 -4.540 5.116 1.272 1.00 0.69 C ATOM 2972 CD2 LEU B 83 -4.158 3.766 3.363 1.00 0.63 C ATOM 0 H LEU B 83 -1.553 5.727 0.078 1.00 0.33 H new ATOM 0 HA LEU B 83 -2.475 7.314 2.203 1.00 0.35 H new ATOM 0 HB2 LEU B 83 -1.955 4.447 1.657 1.00 0.42 H new ATOM 0 HB3 LEU B 83 -1.778 4.869 3.349 1.00 0.42 H new ATOM 0 HG LEU B 83 -4.111 5.909 3.201 1.00 0.51 H new ATOM 0 HD11 LEU B 83 -5.612 5.032 1.450 1.00 0.69 H new ATOM 0 HD12 LEU B 83 -4.327 6.066 0.781 1.00 0.69 H new ATOM 0 HD13 LEU B 83 -4.213 4.296 0.633 1.00 0.69 H new ATOM 0 HD21 LEU B 83 -5.240 3.708 3.483 1.00 0.63 H new ATOM 0 HD22 LEU B 83 -3.808 2.901 2.799 1.00 0.63 H new ATOM 0 HD23 LEU B 83 -3.684 3.775 4.344 1.00 0.63 H new ATOM 2984 N ALA B 84 0.619 6.115 2.693 1.00 0.38 N ATOM 2985 CA ALA B 84 1.880 6.313 3.436 1.00 0.44 C ATOM 2986 C ALA B 84 2.756 7.445 2.848 1.00 0.45 C ATOM 2987 O ALA B 84 3.687 7.904 3.518 1.00 0.55 O ATOM 2988 CB ALA B 84 2.658 5.004 3.493 1.00 0.55 C ATOM 0 H ALA B 84 0.641 5.327 2.046 1.00 0.38 H new ATOM 0 HA ALA B 84 1.614 6.625 4.446 1.00 0.44 H new ATOM 0 HB1 ALA B 84 3.587 5.157 4.042 1.00 0.55 H new ATOM 0 HB2 ALA B 84 2.059 4.246 3.997 1.00 0.55 H new ATOM 0 HB3 ALA B 84 2.886 4.672 2.480 1.00 0.55 H new ATOM 2994 N LYS B 85 2.476 7.882 1.598 1.00 0.41 N ATOM 2995 CA LYS B 85 3.232 8.981 0.962 1.00 0.45 C ATOM 2996 C LYS B 85 2.663 10.348 1.391 1.00 0.47 C ATOM 2997 O LYS B 85 3.426 11.298 1.586 1.00 0.57 O ATOM 2998 CB LYS B 85 3.206 8.840 -0.579 1.00 0.49 C ATOM 2999 CG LYS B 85 4.072 9.850 -1.343 1.00 0.57 C ATOM 3000 CD LYS B 85 3.798 9.834 -2.853 1.00 0.66 C ATOM 3001 CE LYS B 85 4.452 8.646 -3.572 1.00 0.79 C ATOM 3002 NZ LYS B 85 3.513 7.500 -3.762 1.00 1.10 N ATOM 0 H LYS B 85 1.736 7.492 1.015 1.00 0.41 H new ATOM 0 HA LYS B 85 4.269 8.921 1.294 1.00 0.45 H new ATOM 0 HB2 LYS B 85 3.533 7.834 -0.841 1.00 0.49 H new ATOM 0 HB3 LYS B 85 2.175 8.939 -0.919 1.00 0.49 H new ATOM 0 HG2 LYS B 85 3.886 10.851 -0.954 1.00 0.57 H new ATOM 0 HG3 LYS B 85 5.125 9.629 -1.165 1.00 0.57 H new ATOM 0 HD2 LYS B 85 2.721 9.804 -3.020 1.00 0.66 H new ATOM 0 HD3 LYS B 85 4.163 10.762 -3.292 1.00 0.66 H new ATOM 0 HE2 LYS B 85 4.821 8.973 -4.544 1.00 0.79 H new ATOM 0 HE3 LYS B 85 5.317 8.311 -2.999 1.00 0.79 H new ATOM 0 HZ1 LYS B 85 4.047 6.660 -4.062 1.00 1.10 H new ATOM 0 HZ2 LYS B 85 3.025 7.298 -2.866 1.00 1.10 H new ATOM 0 HZ3 LYS B 85 2.812 7.743 -4.491 1.00 1.10 H new ATOM 3016 N GLU B 86 1.318 10.438 1.533 1.00 0.42 N ATOM 3017 CA GLU B 86 0.645 11.689 1.939 1.00 0.46 C ATOM 3018 C GLU B 86 0.278 11.712 3.449 1.00 0.50 C ATOM 3019 O GLU B 86 -0.666 12.403 3.849 1.00 0.81 O ATOM 3020 CB GLU B 86 -0.608 11.936 1.068 1.00 0.52 C ATOM 3021 CG GLU B 86 -0.299 12.165 -0.414 1.00 0.59 C ATOM 3022 CD GLU B 86 -1.537 12.485 -1.233 1.00 1.01 C ATOM 3023 OE1 GLU B 86 -1.878 13.679 -1.346 1.00 1.68 O ATOM 3024 OE2 GLU B 86 -2.163 11.544 -1.764 1.00 1.48 O ATOM 0 H GLU B 86 0.681 9.658 1.372 1.00 0.42 H new ATOM 0 HA GLU B 86 1.357 12.499 1.778 1.00 0.46 H new ATOM 0 HB2 GLU B 86 -1.277 11.081 1.161 1.00 0.52 H new ATOM 0 HB3 GLU B 86 -1.143 12.803 1.456 1.00 0.52 H new ATOM 0 HG2 GLU B 86 0.415 12.983 -0.509 1.00 0.59 H new ATOM 0 HG3 GLU B 86 0.180 11.275 -0.822 1.00 0.59 H new ATOM 3031 N ILE B 87 1.022 10.957 4.288 1.00 0.48 N ATOM 3032 CA ILE B 87 0.812 10.955 5.752 1.00 0.51 C ATOM 3033 C ILE B 87 1.762 11.995 6.387 1.00 0.53 C ATOM 3034 O ILE B 87 1.373 12.728 7.301 1.00 0.58 O ATOM 3035 CB ILE B 87 1.013 9.515 6.379 1.00 0.56 C ATOM 3036 CG1 ILE B 87 0.409 9.401 7.818 1.00 0.61 C ATOM 3037 CG2 ILE B 87 2.476 9.046 6.351 1.00 0.62 C ATOM 3038 CD1 ILE B 87 1.097 10.202 8.915 1.00 0.63 C ATOM 0 H ILE B 87 1.773 10.342 3.976 1.00 0.48 H new ATOM 0 HA ILE B 87 -0.221 11.230 5.966 1.00 0.51 H new ATOM 0 HB ILE B 87 0.453 8.837 5.735 1.00 0.56 H new ATOM 0 HG12 ILE B 87 -0.635 9.711 7.774 1.00 0.61 H new ATOM 0 HG13 ILE B 87 0.417 8.350 8.108 1.00 0.61 H new ATOM 0 HG21 ILE B 87 2.548 8.053 6.794 1.00 0.62 H new ATOM 0 HG22 ILE B 87 2.827 9.009 5.320 1.00 0.62 H new ATOM 0 HG23 ILE B 87 3.092 9.743 6.919 1.00 0.62 H new ATOM 0 HD11 ILE B 87 0.583 10.037 9.862 1.00 0.63 H new ATOM 0 HD12 ILE B 87 2.135 9.880 9.004 1.00 0.63 H new ATOM 0 HD13 ILE B 87 1.066 11.263 8.665 1.00 0.63 H new ATOM 3050 N ARG B 88 3.003 12.071 5.851 1.00 0.57 N ATOM 3051 CA ARG B 88 4.034 13.006 6.334 1.00 0.67 C ATOM 3052 C ARG B 88 4.196 14.222 5.394 1.00 0.67 C ATOM 3053 O ARG B 88 4.488 15.325 5.866 1.00 0.84 O ATOM 3054 CB ARG B 88 5.388 12.273 6.514 1.00 0.75 C ATOM 3055 CG ARG B 88 5.913 11.558 5.259 1.00 0.82 C ATOM 3056 CD ARG B 88 7.287 10.931 5.486 1.00 1.05 C ATOM 3057 NE ARG B 88 7.914 10.501 4.221 1.00 1.17 N ATOM 3058 CZ ARG B 88 8.089 9.223 3.803 1.00 1.26 C ATOM 3059 NH1 ARG B 88 7.600 8.176 4.483 1.00 1.64 N ATOM 3060 NH2 ARG B 88 8.734 9.001 2.660 1.00 1.55 N ATOM 0 H ARG B 88 3.312 11.486 5.075 1.00 0.57 H new ATOM 0 HA ARG B 88 3.705 13.385 7.302 1.00 0.67 H new ATOM 0 HB2 ARG B 88 6.135 12.997 6.840 1.00 0.75 H new ATOM 0 HB3 ARG B 88 5.283 11.540 7.314 1.00 0.75 H new ATOM 0 HG2 ARG B 88 5.206 10.783 4.962 1.00 0.82 H new ATOM 0 HG3 ARG B 88 5.971 12.269 4.435 1.00 0.82 H new ATOM 0 HD2 ARG B 88 7.936 11.650 5.986 1.00 1.05 H new ATOM 0 HD3 ARG B 88 7.189 10.074 6.152 1.00 1.05 H new ATOM 0 HE ARG B 88 8.249 11.238 3.600 1.00 1.17 H new ATOM 0 HH11 ARG B 88 7.077 8.327 5.345 1.00 1.64 H new ATOM 0 HH12 ARG B 88 7.751 7.228 4.138 1.00 1.64 H new ATOM 0 HH21 ARG B 88 9.088 9.786 2.113 1.00 1.55 H new ATOM 0 HH22 ARG B 88 8.874 8.046 2.331 1.00 1.55 H new ATOM 3074 N LYS B 89 4.007 14.016 4.066 1.00 0.60 N ATOM 3075 CA LYS B 89 4.146 15.098 3.071 1.00 0.67 C ATOM 3076 C LYS B 89 2.912 15.200 2.135 1.00 0.63 C ATOM 3077 O LYS B 89 3.025 15.020 0.915 1.00 0.76 O ATOM 3078 CB LYS B 89 5.463 14.923 2.264 1.00 0.76 C ATOM 3079 CG LYS B 89 5.588 13.606 1.480 1.00 0.78 C ATOM 3080 CD LYS B 89 6.988 13.424 0.890 1.00 1.06 C ATOM 3081 CE LYS B 89 7.061 12.241 -0.079 1.00 1.32 C ATOM 3082 NZ LYS B 89 6.523 12.572 -1.435 1.00 1.65 N ATOM 0 H LYS B 89 3.759 13.112 3.665 1.00 0.60 H new ATOM 0 HA LYS B 89 4.197 16.042 3.614 1.00 0.67 H new ATOM 0 HB2 LYS B 89 5.552 15.753 1.563 1.00 0.76 H new ATOM 0 HB3 LYS B 89 6.304 14.996 2.954 1.00 0.76 H new ATOM 0 HG2 LYS B 89 5.360 12.768 2.139 1.00 0.78 H new ATOM 0 HG3 LYS B 89 4.851 13.590 0.677 1.00 0.78 H new ATOM 0 HD2 LYS B 89 7.282 14.336 0.370 1.00 1.06 H new ATOM 0 HD3 LYS B 89 7.704 13.273 1.698 1.00 1.06 H new ATOM 0 HE2 LYS B 89 8.097 11.917 -0.173 1.00 1.32 H new ATOM 0 HE3 LYS B 89 6.501 11.402 0.335 1.00 1.32 H new ATOM 0 HZ1 LYS B 89 6.596 11.737 -2.051 1.00 1.65 H new ATOM 0 HZ2 LYS B 89 5.526 12.855 -1.353 1.00 1.65 H new ATOM 0 HZ3 LYS B 89 7.073 13.354 -1.845 1.00 1.65 H new ATOM 3096 N LYS B 90 1.726 15.492 2.718 1.00 0.58 N ATOM 3097 CA LYS B 90 0.475 15.654 1.924 1.00 0.56 C ATOM 3098 C LYS B 90 0.484 16.987 1.150 1.00 0.54 C ATOM 3099 O LYS B 90 0.088 17.030 -0.019 1.00 0.58 O ATOM 3100 CB LYS B 90 -0.806 15.547 2.796 1.00 0.59 C ATOM 3101 CG LYS B 90 -0.829 16.415 4.062 1.00 0.66 C ATOM 3102 CD LYS B 90 -2.132 16.246 4.851 1.00 0.96 C ATOM 3103 CE LYS B 90 -2.038 16.827 6.267 1.00 1.48 C ATOM 3104 NZ LYS B 90 -1.308 15.923 7.207 1.00 2.03 N ATOM 0 H LYS B 90 1.604 15.620 3.723 1.00 0.58 H new ATOM 0 HA LYS B 90 0.450 14.828 1.213 1.00 0.56 H new ATOM 0 HB2 LYS B 90 -1.665 15.814 2.180 1.00 0.59 H new ATOM 0 HB3 LYS B 90 -0.936 14.506 3.090 1.00 0.59 H new ATOM 0 HG2 LYS B 90 0.016 16.151 4.698 1.00 0.66 H new ATOM 0 HG3 LYS B 90 -0.706 17.462 3.786 1.00 0.66 H new ATOM 0 HD2 LYS B 90 -2.945 16.735 4.314 1.00 0.96 H new ATOM 0 HD3 LYS B 90 -2.382 15.187 4.912 1.00 0.96 H new ATOM 0 HE2 LYS B 90 -1.532 17.791 6.228 1.00 1.48 H new ATOM 0 HE3 LYS B 90 -3.042 17.009 6.649 1.00 1.48 H new ATOM 0 HZ1 LYS B 90 -1.271 16.360 8.150 1.00 2.03 H new ATOM 0 HZ2 LYS B 90 -1.804 15.011 7.267 1.00 2.03 H new ATOM 0 HZ3 LYS B 90 -0.340 15.769 6.859 1.00 2.03 H new ATOM 3118 N LYS B 91 0.934 18.067 1.818 1.00 0.55 N ATOM 3119 CA LYS B 91 1.027 19.402 1.211 1.00 0.59 C ATOM 3120 C LYS B 91 2.442 19.960 1.424 1.00 0.62 C ATOM 3121 O LYS B 91 2.644 20.858 2.250 1.00 0.69 O ATOM 3122 CB LYS B 91 -0.040 20.348 1.814 1.00 0.64 C ATOM 3123 CG LYS B 91 -1.473 20.037 1.378 1.00 0.74 C ATOM 3124 CD LYS B 91 -2.486 21.024 1.970 1.00 0.84 C ATOM 3125 CE LYS B 91 -3.934 20.649 1.637 1.00 1.14 C ATOM 3126 NZ LYS B 91 -4.309 20.991 0.231 1.00 1.36 N ATOM 0 H LYS B 91 1.241 18.035 2.790 1.00 0.55 H new ATOM 0 HA LYS B 91 0.835 19.327 0.141 1.00 0.59 H new ATOM 0 HB2 LYS B 91 0.017 20.295 2.901 1.00 0.64 H new ATOM 0 HB3 LYS B 91 0.199 21.373 1.532 1.00 0.64 H new ATOM 0 HG2 LYS B 91 -1.534 20.065 0.290 1.00 0.74 H new ATOM 0 HG3 LYS B 91 -1.733 19.024 1.686 1.00 0.74 H new ATOM 0 HD2 LYS B 91 -2.363 21.060 3.052 1.00 0.84 H new ATOM 0 HD3 LYS B 91 -2.277 22.025 1.592 1.00 0.84 H new ATOM 0 HE2 LYS B 91 -4.074 19.580 1.796 1.00 1.14 H new ATOM 0 HE3 LYS B 91 -4.606 21.164 2.324 1.00 1.14 H new ATOM 0 HZ1 LYS B 91 -5.297 20.717 0.059 1.00 1.36 H new ATOM 0 HZ2 LYS B 91 -4.203 22.015 0.083 1.00 1.36 H new ATOM 0 HZ3 LYS B 91 -3.688 20.480 -0.428 1.00 1.36 H new ATOM 3140 N ASP B 92 3.433 19.411 0.681 1.00 0.66 N ATOM 3141 CA ASP B 92 4.844 19.852 0.793 1.00 0.74 C ATOM 3142 C ASP B 92 5.061 21.205 0.081 1.00 0.92 C ATOM 3143 O ASP B 92 5.713 21.284 -0.969 1.00 1.72 O ATOM 3144 CB ASP B 92 5.831 18.761 0.286 1.00 0.75 C ATOM 3145 CG ASP B 92 5.608 18.319 -1.159 1.00 0.88 C ATOM 3146 OD1 ASP B 92 4.627 17.592 -1.414 1.00 0.93 O ATOM 3147 OD2 ASP B 92 6.428 18.689 -2.028 1.00 1.15 O ATOM 0 H ASP B 92 3.282 18.666 0.001 1.00 0.66 H new ATOM 0 HA ASP B 92 5.061 20.002 1.851 1.00 0.74 H new ATOM 0 HB2 ASP B 92 6.849 19.138 0.383 1.00 0.75 H new ATOM 0 HB3 ASP B 92 5.751 17.889 0.935 1.00 0.75 H new ATOM 3152 N LEU B 93 4.488 22.271 0.674 1.00 0.63 N ATOM 3153 CA LEU B 93 4.585 23.634 0.131 1.00 0.66 C ATOM 3154 C LEU B 93 4.241 24.682 1.207 1.00 0.69 C ATOM 3155 O LEU B 93 5.028 25.597 1.455 1.00 0.82 O ATOM 3156 CB LEU B 93 3.655 23.799 -1.100 1.00 0.71 C ATOM 3157 CG LEU B 93 4.094 24.867 -2.124 1.00 0.97 C ATOM 3158 CD1 LEU B 93 5.291 24.378 -2.948 1.00 1.27 C ATOM 3159 CD2 LEU B 93 2.923 25.266 -3.029 1.00 1.18 C ATOM 0 H LEU B 93 3.949 22.209 1.538 1.00 0.63 H new ATOM 0 HA LEU B 93 5.615 23.797 -0.187 1.00 0.66 H new ATOM 0 HB2 LEU B 93 3.583 22.839 -1.611 1.00 0.71 H new ATOM 0 HB3 LEU B 93 2.654 24.048 -0.747 1.00 0.71 H new ATOM 0 HG LEU B 93 4.410 25.754 -1.575 1.00 0.97 H new ATOM 0 HD11 LEU B 93 5.581 25.149 -3.662 1.00 1.27 H new ATOM 0 HD12 LEU B 93 6.128 24.166 -2.283 1.00 1.27 H new ATOM 0 HD13 LEU B 93 5.016 23.470 -3.486 1.00 1.27 H new ATOM 0 HD21 LEU B 93 3.255 26.020 -3.743 1.00 1.18 H new ATOM 0 HD22 LEU B 93 2.564 24.389 -3.568 1.00 1.18 H new ATOM 0 HD23 LEU B 93 2.115 25.673 -2.421 1.00 1.18 H new ATOM 3171 N LYS B 94 3.061 24.527 1.849 1.00 0.66 N ATOM 3172 CA LYS B 94 2.594 25.453 2.899 1.00 0.74 C ATOM 3173 C LYS B 94 2.836 24.869 4.306 1.00 0.70 C ATOM 3174 O LYS B 94 3.247 25.599 5.216 1.00 0.79 O ATOM 3175 CB LYS B 94 1.095 25.770 2.693 1.00 0.84 C ATOM 3176 CG LYS B 94 0.615 27.065 3.361 1.00 1.00 C ATOM 3177 CD LYS B 94 0.979 28.310 2.541 1.00 1.15 C ATOM 3178 CE LYS B 94 0.589 29.605 3.250 1.00 1.45 C ATOM 3179 NZ LYS B 94 1.484 29.923 4.405 1.00 1.61 N ATOM 0 H LYS B 94 2.413 23.764 1.655 1.00 0.66 H new ATOM 0 HA LYS B 94 3.167 26.377 2.821 1.00 0.74 H new ATOM 0 HB2 LYS B 94 0.895 25.833 1.623 1.00 0.84 H new ATOM 0 HB3 LYS B 94 0.506 24.938 3.079 1.00 0.84 H new ATOM 0 HG2 LYS B 94 -0.466 27.024 3.495 1.00 1.00 H new ATOM 0 HG3 LYS B 94 1.056 27.145 4.354 1.00 1.00 H new ATOM 0 HD2 LYS B 94 2.052 28.314 2.347 1.00 1.15 H new ATOM 0 HD3 LYS B 94 0.480 28.264 1.573 1.00 1.15 H new ATOM 0 HE2 LYS B 94 0.618 30.428 2.536 1.00 1.45 H new ATOM 0 HE3 LYS B 94 -0.439 29.525 3.603 1.00 1.45 H new ATOM 0 HZ1 LYS B 94 1.175 30.811 4.850 1.00 1.61 H new ATOM 0 HZ2 LYS B 94 1.438 29.152 5.102 1.00 1.61 H new ATOM 0 HZ3 LYS B 94 2.462 30.027 4.068 1.00 1.61 H new ATOM 3193 N ILE B 95 2.573 23.554 4.472 1.00 0.65 N ATOM 3194 CA ILE B 95 2.763 22.849 5.757 1.00 0.66 C ATOM 3195 C ILE B 95 3.768 21.695 5.587 1.00 0.68 C ATOM 3196 O ILE B 95 3.589 20.837 4.717 1.00 0.78 O ATOM 3197 CB ILE B 95 1.405 22.314 6.345 1.00 0.74 C ATOM 3198 CG1 ILE B 95 0.600 21.509 5.286 1.00 0.83 C ATOM 3199 CG2 ILE B 95 0.569 23.479 6.896 1.00 0.84 C ATOM 3200 CD1 ILE B 95 -0.686 20.882 5.804 1.00 1.04 C ATOM 0 H ILE B 95 2.225 22.955 3.723 1.00 0.65 H new ATOM 0 HA ILE B 95 3.162 23.570 6.471 1.00 0.66 H new ATOM 0 HB ILE B 95 1.639 21.632 7.163 1.00 0.74 H new ATOM 0 HG12 ILE B 95 0.356 22.171 4.455 1.00 0.83 H new ATOM 0 HG13 ILE B 95 1.238 20.720 4.888 1.00 0.83 H new ATOM 0 HG21 ILE B 95 -0.368 23.095 7.300 1.00 0.84 H new ATOM 0 HG22 ILE B 95 1.125 23.984 7.686 1.00 0.84 H new ATOM 0 HG23 ILE B 95 0.356 24.185 6.094 1.00 0.84 H new ATOM 0 HD11 ILE B 95 -1.179 20.342 4.996 1.00 1.04 H new ATOM 0 HD12 ILE B 95 -0.453 20.190 6.614 1.00 1.04 H new ATOM 0 HD13 ILE B 95 -1.349 21.664 6.174 1.00 1.04 H new ATOM 3212 N ARG B 96 4.831 21.683 6.414 1.00 0.70 N ATOM 3213 CA ARG B 96 5.874 20.643 6.337 1.00 0.79 C ATOM 3214 C ARG B 96 6.394 20.223 7.734 1.00 0.79 C ATOM 3215 O ARG B 96 7.583 19.920 7.890 1.00 1.02 O ATOM 3216 CB ARG B 96 7.033 21.135 5.435 1.00 0.99 C ATOM 3217 CG ARG B 96 7.681 22.454 5.881 1.00 1.12 C ATOM 3218 CD ARG B 96 8.805 22.892 4.939 1.00 1.41 C ATOM 3219 NE ARG B 96 10.003 22.036 5.046 1.00 1.59 N ATOM 3220 CZ ARG B 96 10.984 21.950 4.120 1.00 2.01 C ATOM 3221 NH1 ARG B 96 10.942 22.667 2.990 1.00 2.42 N ATOM 3222 NH2 ARG B 96 12.024 21.144 4.342 1.00 2.37 N ATOM 0 H ARG B 96 4.990 22.380 7.141 1.00 0.70 H new ATOM 0 HA ARG B 96 5.427 19.752 5.896 1.00 0.79 H new ATOM 0 HB2 ARG B 96 7.801 20.362 5.401 1.00 0.99 H new ATOM 0 HB3 ARG B 96 6.658 21.256 4.419 1.00 0.99 H new ATOM 0 HG2 ARG B 96 6.921 23.234 5.925 1.00 1.12 H new ATOM 0 HG3 ARG B 96 8.078 22.339 6.890 1.00 1.12 H new ATOM 0 HD2 ARG B 96 8.441 22.874 3.912 1.00 1.41 H new ATOM 0 HD3 ARG B 96 9.079 23.923 5.162 1.00 1.41 H new ATOM 0 HE ARG B 96 10.098 21.464 5.885 1.00 1.59 H new ATOM 0 HH11 ARG B 96 10.158 23.295 2.813 1.00 2.42 H new ATOM 0 HH12 ARG B 96 11.694 22.585 2.306 1.00 2.42 H new ATOM 0 HH21 ARG B 96 12.073 20.600 5.204 1.00 2.37 H new ATOM 0 HH22 ARG B 96 12.770 21.071 3.650 1.00 2.37 H new ATOM 3236 N LYS B 97 5.495 20.184 8.744 1.00 0.72 N ATOM 3237 CA LYS B 97 5.875 19.789 10.120 1.00 0.76 C ATOM 3238 C LYS B 97 4.645 19.397 10.976 1.00 0.76 C ATOM 3239 O LYS B 97 3.887 20.264 11.424 1.00 1.04 O ATOM 3240 CB LYS B 97 6.705 20.905 10.823 1.00 0.89 C ATOM 3241 CG LYS B 97 6.128 22.325 10.705 1.00 0.94 C ATOM 3242 CD LYS B 97 6.928 23.342 11.534 1.00 1.16 C ATOM 3243 CE LYS B 97 6.388 24.769 11.388 1.00 1.49 C ATOM 3244 NZ LYS B 97 5.037 24.942 12.003 1.00 1.86 N ATOM 0 H LYS B 97 4.509 20.419 8.634 1.00 0.72 H new ATOM 0 HA LYS B 97 6.504 18.903 10.029 1.00 0.76 H new ATOM 0 HB2 LYS B 97 6.798 20.655 11.880 1.00 0.89 H new ATOM 0 HB3 LYS B 97 7.712 20.904 10.406 1.00 0.89 H new ATOM 0 HG2 LYS B 97 6.128 22.630 9.659 1.00 0.94 H new ATOM 0 HG3 LYS B 97 5.090 22.323 11.037 1.00 0.94 H new ATOM 0 HD2 LYS B 97 6.901 23.052 12.584 1.00 1.16 H new ATOM 0 HD3 LYS B 97 7.973 23.318 11.224 1.00 1.16 H new ATOM 0 HE2 LYS B 97 7.086 25.466 11.852 1.00 1.49 H new ATOM 0 HE3 LYS B 97 6.336 25.027 10.330 1.00 1.49 H new ATOM 0 HZ1 LYS B 97 4.721 25.924 11.875 1.00 1.86 H new ATOM 0 HZ2 LYS B 97 4.362 24.298 11.544 1.00 1.86 H new ATOM 0 HZ3 LYS B 97 5.087 24.724 13.019 1.00 1.86 H new ATOM 3258 N LYS B 98 4.451 18.073 11.175 1.00 0.71 N ATOM 3259 CA LYS B 98 3.338 17.537 11.985 1.00 0.74 C ATOM 3260 C LYS B 98 3.764 16.233 12.686 1.00 0.90 C ATOM 3261 O LYS B 98 3.964 16.263 13.920 1.00 1.07 O ATOM 3262 CB LYS B 98 2.088 17.293 11.109 1.00 0.96 C ATOM 3263 CG LYS B 98 0.790 17.093 11.902 1.00 1.08 C ATOM 3264 CD LYS B 98 -0.373 16.652 11.008 1.00 1.52 C ATOM 3265 CE LYS B 98 -1.725 16.756 11.719 1.00 1.69 C ATOM 3266 NZ LYS B 98 -2.260 18.152 11.719 1.00 1.85 N ATOM 3267 OXT LYS B 98 3.901 15.200 11.992 1.00 1.15 O ATOM 0 H LYS B 98 5.057 17.353 10.781 1.00 0.71 H new ATOM 0 HA LYS B 98 3.083 18.276 12.745 1.00 0.74 H new ATOM 0 HB2 LYS B 98 1.961 18.140 10.434 1.00 0.96 H new ATOM 0 HB3 LYS B 98 2.260 16.414 10.488 1.00 0.96 H new ATOM 0 HG2 LYS B 98 0.952 16.346 12.679 1.00 1.08 H new ATOM 0 HG3 LYS B 98 0.527 18.023 12.405 1.00 1.08 H new ATOM 0 HD2 LYS B 98 -0.390 17.267 10.108 1.00 1.52 H new ATOM 0 HD3 LYS B 98 -0.212 15.623 10.688 1.00 1.52 H new ATOM 0 HE2 LYS B 98 -2.441 16.095 11.231 1.00 1.69 H new ATOM 0 HE3 LYS B 98 -1.620 16.409 12.747 1.00 1.69 H new ATOM 0 HZ1 LYS B 98 -3.176 18.173 12.211 1.00 1.85 H new ATOM 0 HZ2 LYS B 98 -1.590 18.780 12.207 1.00 1.85 H new ATOM 0 HZ3 LYS B 98 -2.386 18.475 10.739 1.00 1.85 H new