USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot -178:sc= 1.26 USER MOD Set 1.2: A 105 SER OG : rot -152:sc= 2.34 USER MOD Set 2.1: A 62 TYR OH : rot 44:sc= 0.758 USER MOD Set 2.2: A 70 GLN : amide:sc= 1.28 K(o=2.1,f=-0.55) USER MOD Set 2.3: A 100 SER OG : rot -163:sc= 0.0421 USER MOD Set 3.1: A 47 CYS SG : rot -91:sc= -0.703 USER MOD Set 3.2: A 93 TYR OH : rot -44:sc= 0.864 USER MOD Set 4.1: A 7 TYR OH : rot -134:sc= 0.0929 USER MOD Set 4.2: A 157 LYS NZ :NH3+ -161:sc= 2.13 (180deg=1.44) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.325 K(o=0.32,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.0339 (180deg=-0.0551) USER MOD Single : A 25 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 31 SER OG : rot -126:sc= 1.25 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 34 GLN : amide:sc= 0.835 K(o=0.83,f=-3.1!) USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= -0.179 (180deg=-0.884) USER MOD Single : A 45 THR OG1 : rot -129:sc= 1.17 USER MOD Single : A 51 CYS SG : rot -71:sc= 0.636 USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.122 USER MOD Single : A 54 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 0.836 (180deg=0.283) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 1.25 (180deg=1.25) USER MOD Single : A 68 LYS NZ :NH3+ 170:sc= 1.25 (180deg=0.96) USER MOD Single : A 74 GLN : amide:sc= 0.381 K(o=0.38,f=-2.1) USER MOD Single : A 95 LYS NZ :NH3+ -162:sc= -0.328 (180deg=-0.656) USER MOD Single : A 98 HIS :FLIP no HD1:sc= -1.82 F(o=-2.9!,f=-1.8) USER MOD Single : A 107 SER OG : rot 70:sc= 1.26 USER MOD Single : A 116 GLN : amide:sc= 0.889 K(o=0.89,f=-9.2!) USER MOD Single : A 117 THR OG1 : rot 100:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 100:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 137:sc= 0.143 (180deg=-3.36!) USER MOD Single : A 137 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.57) USER MOD Single : A 138 THR OG1 : rot -116:sc= 1.74 USER MOD Single : A 140 THR OG1 : rot -28:sc= 0.275 USER MOD Single : A 141 THR OG1 : rot -150:sc= 0.665 USER MOD Single : A 145 LYS NZ :NH3+ -143:sc= -0.0505! (180deg=-2.04!) USER MOD Single : A 153 TYR OH : rot -19:sc= 0.437 USER MOD Single : A 154 SER OG : rot 68:sc= 1.17 USER MOD Single : A 161 THR OG1 : rot -57:sc= 0.568 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.804 4.386 4.273 1.00 1.31 N ATOM 90 CA TYR A 7 15.809 2.929 4.128 1.00 1.30 C ATOM 91 C TYR A 7 14.974 2.444 2.931 1.00 1.34 C ATOM 92 O TYR A 7 14.989 1.246 2.643 1.00 1.58 O ATOM 93 CB TYR A 7 15.321 2.324 5.446 1.00 1.62 C ATOM 94 CG TYR A 7 15.577 0.844 5.659 1.00 1.47 C ATOM 95 CD1 TYR A 7 16.889 0.333 5.624 1.00 2.18 C ATOM 96 CD2 TYR A 7 14.505 -0.014 5.978 1.00 2.41 C ATOM 97 CE1 TYR A 7 17.129 -1.029 5.887 1.00 2.67 C ATOM 98 CE2 TYR A 7 14.738 -1.373 6.264 1.00 2.67 C ATOM 99 CZ TYR A 7 16.051 -1.885 6.213 1.00 2.39 C ATOM 100 OH TYR A 7 16.269 -3.215 6.385 1.00 3.15 O ATOM 0 HA TYR A 7 16.824 2.595 3.914 1.00 1.30 H new ATOM 0 HB2 TYR A 7 15.790 2.870 6.264 1.00 1.62 H new ATOM 0 HB3 TYR A 7 14.247 2.497 5.521 1.00 1.62 H new ATOM 0 HD1 TYR A 7 17.715 0.989 5.394 1.00 2.18 H new ATOM 0 HD2 TYR A 7 13.497 0.374 6.003 1.00 2.41 H new ATOM 0 HE1 TYR A 7 18.135 -1.420 5.840 1.00 2.67 H new ATOM 0 HE2 TYR A 7 13.914 -2.021 6.522 1.00 2.67 H new ATOM 0 HH TYR A 7 15.587 -3.724 5.899 1.00 3.15 H new ATOM 110 N GLY A 8 14.278 3.338 2.215 1.00 0.97 N ATOM 111 CA GLY A 8 13.565 3.037 0.961 1.00 0.93 C ATOM 112 C GLY A 8 14.312 3.457 -0.312 1.00 1.06 C ATOM 113 O GLY A 8 15.333 4.144 -0.261 1.00 1.36 O ATOM 0 H GLY A 8 14.192 4.315 2.497 1.00 0.97 H new ATOM 0 HA2 GLY A 8 13.371 1.965 0.916 1.00 0.93 H new ATOM 0 HA3 GLY A 8 12.596 3.536 0.980 1.00 0.93 H new ATOM 117 N THR A 9 13.780 3.064 -1.476 1.00 0.92 N ATOM 118 CA THR A 9 14.330 3.375 -2.810 1.00 1.01 C ATOM 119 C THR A 9 13.952 4.795 -3.235 1.00 1.16 C ATOM 120 O THR A 9 13.037 5.009 -4.035 1.00 1.21 O ATOM 121 CB THR A 9 13.851 2.371 -3.858 1.00 1.19 C ATOM 122 OG1 THR A 9 13.896 1.061 -3.344 1.00 1.37 O ATOM 123 CG2 THR A 9 14.713 2.412 -5.122 1.00 1.34 C ATOM 0 H THR A 9 12.929 2.504 -1.522 1.00 0.92 H new ATOM 0 HA THR A 9 15.415 3.304 -2.740 1.00 1.01 H new ATOM 0 HB THR A 9 12.828 2.649 -4.111 1.00 1.19 H new ATOM 0 HG1 THR A 9 13.585 0.431 -4.027 1.00 1.37 H new ATOM 0 HG21 THR A 9 14.339 1.683 -5.841 1.00 1.34 H new ATOM 0 HG22 THR A 9 14.670 3.409 -5.560 1.00 1.34 H new ATOM 0 HG23 THR A 9 15.745 2.172 -4.866 1.00 1.34 H new ATOM 131 N ARG A 10 14.613 5.780 -2.637 1.00 0.89 N ATOM 132 CA ARG A 10 14.289 7.191 -2.843 1.00 0.90 C ATOM 133 C ARG A 10 14.707 7.671 -4.228 1.00 1.31 C ATOM 134 O ARG A 10 15.868 7.575 -4.621 1.00 1.58 O ATOM 135 CB ARG A 10 14.877 8.074 -1.738 1.00 1.04 C ATOM 136 CG ARG A 10 14.181 9.450 -1.687 1.00 1.46 C ATOM 137 CD ARG A 10 15.174 10.619 -1.689 1.00 1.85 C ATOM 138 NE ARG A 10 14.530 11.872 -1.245 1.00 2.31 N ATOM 139 CZ ARG A 10 14.094 12.889 -1.983 1.00 2.88 C ATOM 140 NH1 ARG A 10 14.115 12.870 -3.298 1.00 3.51 N ATOM 141 NH2 ARG A 10 13.603 13.958 -1.384 1.00 3.66 N ATOM 0 H ARG A 10 15.390 5.625 -1.995 1.00 0.89 H new ATOM 0 HA ARG A 10 13.204 7.282 -2.786 1.00 0.90 H new ATOM 0 HB2 ARG A 10 14.770 7.574 -0.775 1.00 1.04 H new ATOM 0 HB3 ARG A 10 15.945 8.211 -1.909 1.00 1.04 H new ATOM 0 HG2 ARG A 10 13.512 9.546 -2.543 1.00 1.46 H new ATOM 0 HG3 ARG A 10 13.562 9.506 -0.791 1.00 1.46 H new ATOM 0 HD2 ARG A 10 16.013 10.387 -1.033 1.00 1.85 H new ATOM 0 HD3 ARG A 10 15.580 10.752 -2.692 1.00 1.85 H new ATOM 0 HE ARG A 10 14.403 11.970 -0.238 1.00 2.31 H new ATOM 0 HH11 ARG A 10 14.476 12.053 -3.791 1.00 3.51 H new ATOM 0 HH12 ARG A 10 13.770 13.672 -3.825 1.00 3.51 H new ATOM 0 HH21 ARG A 10 13.561 13.998 -0.366 1.00 3.66 H new ATOM 0 HH22 ARG A 10 13.266 14.744 -1.940 1.00 3.66 H new ATOM 155 N LEU A 11 13.738 8.219 -4.949 1.00 0.94 N ATOM 156 CA LEU A 11 13.940 8.799 -6.278 1.00 1.21 C ATOM 157 C LEU A 11 14.531 10.211 -6.167 1.00 1.79 C ATOM 158 O LEU A 11 14.553 10.803 -5.086 1.00 2.40 O ATOM 159 CB LEU A 11 12.601 8.773 -7.048 1.00 1.25 C ATOM 160 CG LEU A 11 11.970 7.368 -7.163 1.00 1.32 C ATOM 161 CD1 LEU A 11 10.632 7.466 -7.899 1.00 1.51 C ATOM 162 CD2 LEU A 11 12.876 6.368 -7.897 1.00 1.59 C ATOM 0 H LEU A 11 12.772 8.276 -4.625 1.00 0.94 H new ATOM 0 HA LEU A 11 14.663 8.207 -6.840 1.00 1.21 H new ATOM 0 HB2 LEU A 11 11.895 9.438 -6.551 1.00 1.25 H new ATOM 0 HB3 LEU A 11 12.762 9.171 -8.050 1.00 1.25 H new ATOM 0 HG LEU A 11 11.828 6.998 -6.148 1.00 1.32 H new ATOM 0 HD11 LEU A 11 10.188 6.474 -7.980 1.00 1.51 H new ATOM 0 HD12 LEU A 11 9.959 8.121 -7.345 1.00 1.51 H new ATOM 0 HD13 LEU A 11 10.795 7.873 -8.897 1.00 1.51 H new ATOM 0 HD21 LEU A 11 12.381 5.398 -7.948 1.00 1.59 H new ATOM 0 HD22 LEU A 11 13.073 6.728 -8.907 1.00 1.59 H new ATOM 0 HD23 LEU A 11 13.818 6.267 -7.358 1.00 1.59 H new ATOM 174 N LEU A 12 15.003 10.764 -7.288 1.00 1.56 N ATOM 175 CA LEU A 12 15.387 12.176 -7.388 1.00 1.87 C ATOM 176 C LEU A 12 14.138 13.020 -7.661 1.00 2.49 C ATOM 177 O LEU A 12 13.611 13.653 -6.745 1.00 3.09 O ATOM 178 CB LEU A 12 16.497 12.349 -8.439 1.00 2.21 C ATOM 179 CG LEU A 12 17.804 11.592 -8.113 1.00 1.90 C ATOM 180 CD1 LEU A 12 18.867 12.046 -9.112 1.00 3.05 C ATOM 181 CD2 LEU A 12 18.326 11.826 -6.684 1.00 2.94 C ATOM 0 H LEU A 12 15.130 10.243 -8.156 1.00 1.56 H new ATOM 0 HA LEU A 12 15.809 12.531 -6.448 1.00 1.87 H new ATOM 0 HB2 LEU A 12 16.124 12.007 -9.404 1.00 2.21 H new ATOM 0 HB3 LEU A 12 16.722 13.411 -8.542 1.00 2.21 H new ATOM 0 HG LEU A 12 17.589 10.526 -8.185 1.00 1.90 H new ATOM 0 HD11 LEU A 12 19.804 11.528 -8.907 1.00 3.05 H new ATOM 0 HD12 LEU A 12 18.538 11.813 -10.125 1.00 3.05 H new ATOM 0 HD13 LEU A 12 19.019 13.121 -9.018 1.00 3.05 H new ATOM 0 HD21 LEU A 12 19.246 11.260 -6.535 1.00 2.94 H new ATOM 0 HD22 LEU A 12 18.526 12.888 -6.539 1.00 2.94 H new ATOM 0 HD23 LEU A 12 17.577 11.496 -5.964 1.00 2.94 H new ATOM 193 N ASN A 13 13.630 12.969 -8.893 1.00 2.47 N ATOM 194 CA ASN A 13 12.335 13.528 -9.275 1.00 2.82 C ATOM 195 C ASN A 13 11.163 12.579 -8.932 1.00 2.51 C ATOM 196 O ASN A 13 11.355 11.356 -8.921 1.00 2.75 O ATOM 197 CB ASN A 13 12.352 13.840 -10.784 1.00 3.41 C ATOM 198 CG ASN A 13 12.419 12.583 -11.648 1.00 2.69 C ATOM 199 OD1 ASN A 13 13.463 11.959 -11.770 1.00 3.07 O ATOM 200 ND2 ASN A 13 11.313 12.155 -12.229 1.00 3.46 N ATOM 0 H ASN A 13 14.120 12.527 -9.671 1.00 2.47 H new ATOM 0 HA ASN A 13 12.174 14.442 -8.704 1.00 2.82 H new ATOM 0 HB2 ASN A 13 11.457 14.406 -11.043 1.00 3.41 H new ATOM 0 HB3 ASN A 13 13.208 14.476 -11.009 1.00 3.41 H new ATOM 0 HD21 ASN A 13 11.327 11.299 -12.784 1.00 3.46 H new ATOM 0 HD22 ASN A 13 10.445 12.680 -12.123 1.00 3.46 H new ATOM 207 N PRO A 14 9.938 13.115 -8.745 1.00 2.12 N ATOM 208 CA PRO A 14 8.711 12.331 -8.760 1.00 1.70 C ATOM 209 C PRO A 14 8.397 11.842 -10.165 1.00 1.34 C ATOM 210 O PRO A 14 8.580 12.532 -11.168 1.00 1.55 O ATOM 211 CB PRO A 14 7.605 13.282 -8.279 1.00 2.26 C ATOM 212 CG PRO A 14 8.103 14.652 -8.734 1.00 2.40 C ATOM 213 CD PRO A 14 9.620 14.531 -8.593 1.00 2.40 C ATOM 0 HA PRO A 14 8.800 11.449 -8.126 1.00 1.70 H new ATOM 0 HB2 PRO A 14 6.641 13.036 -8.723 1.00 2.26 H new ATOM 0 HB3 PRO A 14 7.478 13.238 -7.197 1.00 2.26 H new ATOM 0 HG2 PRO A 14 7.809 14.867 -9.761 1.00 2.40 H new ATOM 0 HG3 PRO A 14 7.703 15.454 -8.113 1.00 2.40 H new ATOM 0 HD2 PRO A 14 10.129 15.127 -9.351 1.00 2.40 H new ATOM 0 HD3 PRO A 14 9.950 14.901 -7.622 1.00 2.40 H new ATOM 221 N LYS A 15 7.843 10.639 -10.199 1.00 1.04 N ATOM 222 CA LYS A 15 7.047 10.153 -11.312 1.00 0.96 C ATOM 223 C LYS A 15 5.566 10.521 -11.092 1.00 1.22 C ATOM 224 O LYS A 15 5.027 10.217 -10.022 1.00 1.47 O ATOM 225 CB LYS A 15 7.200 8.633 -11.366 1.00 1.19 C ATOM 226 CG LYS A 15 8.425 8.185 -12.175 1.00 2.36 C ATOM 227 CD LYS A 15 8.354 6.700 -12.573 1.00 2.67 C ATOM 228 CE LYS A 15 8.097 5.731 -11.410 1.00 3.20 C ATOM 229 NZ LYS A 15 9.163 5.794 -10.382 1.00 5.23 N ATOM 0 H LYS A 15 7.937 9.963 -9.441 1.00 1.04 H new ATOM 0 HA LYS A 15 7.381 10.603 -12.247 1.00 0.96 H new ATOM 0 HB2 LYS A 15 7.279 8.244 -10.351 1.00 1.19 H new ATOM 0 HB3 LYS A 15 6.302 8.198 -11.805 1.00 1.19 H new ATOM 0 HG2 LYS A 15 8.506 8.796 -13.074 1.00 2.36 H new ATOM 0 HG3 LYS A 15 9.327 8.359 -11.589 1.00 2.36 H new ATOM 0 HD2 LYS A 15 7.563 6.575 -13.313 1.00 2.67 H new ATOM 0 HD3 LYS A 15 9.291 6.423 -13.057 1.00 2.67 H new ATOM 0 HE2 LYS A 15 7.137 5.965 -10.950 1.00 3.20 H new ATOM 0 HE3 LYS A 15 8.026 4.714 -11.796 1.00 3.20 H new ATOM 0 HZ1 LYS A 15 9.600 4.856 -10.277 1.00 5.23 H new ATOM 0 HZ2 LYS A 15 9.886 6.482 -10.674 1.00 5.23 H new ATOM 0 HZ3 LYS A 15 8.752 6.088 -9.473 1.00 5.23 H new ATOM 243 N PRO A 16 4.868 11.089 -12.093 1.00 0.91 N ATOM 244 CA PRO A 16 3.413 11.130 -12.073 1.00 0.97 C ATOM 245 C PRO A 16 2.898 9.694 -12.211 1.00 1.13 C ATOM 246 O PRO A 16 3.493 8.896 -12.932 1.00 1.13 O ATOM 247 CB PRO A 16 3.015 12.022 -13.251 1.00 1.25 C ATOM 248 CG PRO A 16 4.142 11.804 -14.259 1.00 1.20 C ATOM 249 CD PRO A 16 5.371 11.522 -13.388 1.00 1.01 C ATOM 0 HA PRO A 16 2.989 11.533 -11.153 1.00 0.97 H new ATOM 0 HB2 PRO A 16 2.047 11.735 -13.663 1.00 1.25 H new ATOM 0 HB3 PRO A 16 2.938 13.068 -12.955 1.00 1.25 H new ATOM 0 HG2 PRO A 16 3.925 10.969 -14.925 1.00 1.20 H new ATOM 0 HG3 PRO A 16 4.291 12.682 -14.887 1.00 1.20 H new ATOM 0 HD2 PRO A 16 5.997 10.752 -13.838 1.00 1.01 H new ATOM 0 HD3 PRO A 16 5.988 12.415 -13.286 1.00 1.01 H new ATOM 257 N VAL A 17 1.814 9.377 -11.505 1.00 0.87 N ATOM 258 CA VAL A 17 1.096 8.094 -11.511 1.00 0.91 C ATOM 259 C VAL A 17 -0.357 8.381 -11.119 1.00 1.25 C ATOM 260 O VAL A 17 -0.648 9.439 -10.557 1.00 1.43 O ATOM 261 CB VAL A 17 1.683 7.032 -10.535 1.00 0.89 C ATOM 262 CG1 VAL A 17 3.078 6.537 -10.953 1.00 0.95 C ATOM 263 CG2 VAL A 17 1.765 7.530 -9.081 1.00 0.86 C ATOM 0 H VAL A 17 1.382 10.050 -10.871 1.00 0.87 H new ATOM 0 HA VAL A 17 1.190 7.668 -12.510 1.00 0.91 H new ATOM 0 HB VAL A 17 0.976 6.204 -10.591 1.00 0.89 H new ATOM 0 HG11 VAL A 17 3.433 5.799 -10.234 1.00 0.95 H new ATOM 0 HG12 VAL A 17 3.021 6.082 -11.942 1.00 0.95 H new ATOM 0 HG13 VAL A 17 3.770 7.379 -10.980 1.00 0.95 H new ATOM 0 HG21 VAL A 17 2.182 6.745 -8.450 1.00 0.86 H new ATOM 0 HG22 VAL A 17 2.405 8.411 -9.034 1.00 0.86 H new ATOM 0 HG23 VAL A 17 0.766 7.787 -8.728 1.00 0.86 H new ATOM 273 N ASP A 18 -1.233 7.416 -11.381 1.00 0.87 N ATOM 274 CA ASP A 18 -2.609 7.320 -10.894 1.00 0.86 C ATOM 275 C ASP A 18 -3.091 5.868 -11.081 1.00 1.12 C ATOM 276 O ASP A 18 -2.463 5.097 -11.802 1.00 1.55 O ATOM 277 CB ASP A 18 -3.518 8.333 -11.624 1.00 0.99 C ATOM 278 CG ASP A 18 -4.935 8.415 -11.047 1.00 1.16 C ATOM 279 OD1 ASP A 18 -5.151 8.073 -9.867 1.00 2.17 O ATOM 280 OD2 ASP A 18 -5.865 8.849 -11.758 1.00 1.79 O ATOM 0 H ASP A 18 -0.986 6.627 -11.979 1.00 0.87 H new ATOM 0 HA ASP A 18 -2.654 7.572 -9.835 1.00 0.86 H new ATOM 0 HB2 ASP A 18 -3.058 9.320 -11.577 1.00 0.99 H new ATOM 0 HB3 ASP A 18 -3.579 8.060 -12.677 1.00 0.99 H new ATOM 285 N PHE A 19 -4.215 5.507 -10.463 1.00 0.83 N ATOM 286 CA PHE A 19 -4.955 4.268 -10.716 1.00 0.83 C ATOM 287 C PHE A 19 -6.421 4.416 -10.307 1.00 1.53 C ATOM 288 O PHE A 19 -6.717 5.197 -9.404 1.00 1.70 O ATOM 289 CB PHE A 19 -4.322 3.079 -9.985 1.00 0.97 C ATOM 290 CG PHE A 19 -4.318 3.138 -8.461 1.00 1.15 C ATOM 291 CD1 PHE A 19 -5.484 2.813 -7.737 1.00 1.62 C ATOM 292 CD2 PHE A 19 -3.145 3.469 -7.758 1.00 2.41 C ATOM 293 CE1 PHE A 19 -5.486 2.835 -6.332 1.00 1.61 C ATOM 294 CE2 PHE A 19 -3.143 3.482 -6.348 1.00 2.35 C ATOM 295 CZ PHE A 19 -4.313 3.169 -5.634 1.00 1.48 C ATOM 0 H PHE A 19 -4.652 6.088 -9.747 1.00 0.83 H new ATOM 0 HA PHE A 19 -4.908 4.073 -11.787 1.00 0.83 H new ATOM 0 HB2 PHE A 19 -4.847 2.173 -10.290 1.00 0.97 H new ATOM 0 HB3 PHE A 19 -3.291 2.980 -10.325 1.00 0.97 H new ATOM 0 HD1 PHE A 19 -6.385 2.544 -8.268 1.00 1.62 H new ATOM 0 HD2 PHE A 19 -2.243 3.714 -8.300 1.00 2.41 H new ATOM 0 HE1 PHE A 19 -6.388 2.595 -5.789 1.00 1.61 H new ATOM 0 HE2 PHE A 19 -2.239 3.734 -5.814 1.00 2.35 H new ATOM 0 HZ PHE A 19 -4.310 3.185 -4.554 1.00 1.48 H new ATOM 305 N ALA A 20 -7.315 3.630 -10.915 1.00 0.73 N ATOM 306 CA ALA A 20 -8.681 3.384 -10.446 1.00 0.71 C ATOM 307 C ALA A 20 -8.809 2.030 -9.748 1.00 0.89 C ATOM 308 O ALA A 20 -8.207 1.046 -10.168 1.00 1.17 O ATOM 309 CB ALA A 20 -9.672 3.442 -11.616 1.00 0.79 C ATOM 0 H ALA A 20 -7.099 3.130 -11.778 1.00 0.73 H new ATOM 0 HA ALA A 20 -8.915 4.167 -9.725 1.00 0.71 H new ATOM 0 HB1 ALA A 20 -10.681 3.257 -11.248 1.00 0.79 H new ATOM 0 HB2 ALA A 20 -9.630 4.428 -12.080 1.00 0.79 H new ATOM 0 HB3 ALA A 20 -9.410 2.683 -12.353 1.00 0.79 H new ATOM 315 N LEU A 21 -9.643 2.004 -8.710 1.00 0.58 N ATOM 316 CA LEU A 21 -10.098 0.820 -7.985 1.00 0.54 C ATOM 317 C LEU A 21 -11.572 0.958 -7.581 1.00 0.95 C ATOM 318 O LEU A 21 -12.111 2.067 -7.482 1.00 1.12 O ATOM 319 CB LEU A 21 -9.245 0.656 -6.711 1.00 0.61 C ATOM 320 CG LEU A 21 -8.329 -0.572 -6.622 1.00 0.78 C ATOM 321 CD1 LEU A 21 -9.128 -1.877 -6.526 1.00 1.17 C ATOM 322 CD2 LEU A 21 -7.293 -0.685 -7.743 1.00 1.09 C ATOM 0 H LEU A 21 -10.043 2.862 -8.330 1.00 0.58 H new ATOM 0 HA LEU A 21 -9.993 -0.049 -8.634 1.00 0.54 H new ATOM 0 HB2 LEU A 21 -8.625 1.546 -6.605 1.00 0.61 H new ATOM 0 HB3 LEU A 21 -9.920 0.634 -5.855 1.00 0.61 H new ATOM 0 HG LEU A 21 -7.770 -0.414 -5.700 1.00 0.78 H new ATOM 0 HD11 LEU A 21 -8.441 -2.721 -6.465 1.00 1.17 H new ATOM 0 HD12 LEU A 21 -9.755 -1.855 -5.635 1.00 1.17 H new ATOM 0 HD13 LEU A 21 -9.757 -1.985 -7.410 1.00 1.17 H new ATOM 0 HD21 LEU A 21 -6.693 -1.583 -7.595 1.00 1.09 H new ATOM 0 HD22 LEU A 21 -7.803 -0.744 -8.705 1.00 1.09 H new ATOM 0 HD23 LEU A 21 -6.644 0.191 -7.729 1.00 1.09 H new ATOM 334 N GLU A 22 -12.163 -0.167 -7.195 1.00 0.69 N ATOM 335 CA GLU A 22 -13.456 -0.238 -6.519 1.00 0.68 C ATOM 336 C GLU A 22 -13.251 -0.335 -4.997 1.00 1.00 C ATOM 337 O GLU A 22 -12.231 -0.828 -4.503 1.00 1.24 O ATOM 338 CB GLU A 22 -14.312 -1.412 -7.032 1.00 0.63 C ATOM 339 CG GLU A 22 -14.838 -1.216 -8.465 1.00 1.84 C ATOM 340 CD GLU A 22 -14.159 -2.152 -9.468 1.00 2.65 C ATOM 341 OE1 GLU A 22 -12.935 -2.017 -9.667 1.00 3.65 O ATOM 342 OE2 GLU A 22 -14.813 -3.054 -10.030 1.00 3.12 O ATOM 0 H GLU A 22 -11.744 -1.084 -7.348 1.00 0.69 H new ATOM 0 HA GLU A 22 -14.002 0.678 -6.747 1.00 0.68 H new ATOM 0 HB2 GLU A 22 -13.719 -2.326 -6.994 1.00 0.63 H new ATOM 0 HB3 GLU A 22 -15.159 -1.553 -6.360 1.00 0.63 H new ATOM 0 HG2 GLU A 22 -15.914 -1.389 -8.481 1.00 1.84 H new ATOM 0 HG3 GLU A 22 -14.677 -0.182 -8.770 1.00 1.84 H new ATOM 349 N GLY A 23 -14.233 0.185 -4.252 1.00 0.81 N ATOM 350 CA GLY A 23 -14.198 0.313 -2.790 1.00 0.96 C ATOM 351 C GLY A 23 -15.544 -0.001 -2.121 1.00 1.00 C ATOM 352 O GLY A 23 -16.560 -0.075 -2.815 1.00 0.99 O ATOM 0 H GLY A 23 -15.098 0.538 -4.661 1.00 0.81 H new ATOM 0 HA2 GLY A 23 -13.437 -0.358 -2.392 1.00 0.96 H new ATOM 0 HA3 GLY A 23 -13.898 1.328 -2.528 1.00 0.96 H new ATOM 356 N PRO A 24 -15.573 -0.146 -0.779 1.00 1.02 N ATOM 357 CA PRO A 24 -16.746 -0.607 -0.032 1.00 1.08 C ATOM 358 C PRO A 24 -17.914 0.395 -0.019 1.00 1.26 C ATOM 359 O PRO A 24 -19.064 -0.029 0.050 1.00 1.36 O ATOM 360 CB PRO A 24 -16.232 -0.888 1.386 1.00 1.42 C ATOM 361 CG PRO A 24 -15.021 0.030 1.532 1.00 1.45 C ATOM 362 CD PRO A 24 -14.438 0.033 0.122 1.00 1.23 C ATOM 0 HA PRO A 24 -17.171 -1.490 -0.509 1.00 1.08 H new ATOM 0 HB2 PRO A 24 -16.992 -0.668 2.136 1.00 1.42 H new ATOM 0 HB3 PRO A 24 -15.956 -1.935 1.510 1.00 1.42 H new ATOM 0 HG2 PRO A 24 -15.307 1.031 1.855 1.00 1.45 H new ATOM 0 HG3 PRO A 24 -14.309 -0.350 2.265 1.00 1.45 H new ATOM 0 HD2 PRO A 24 -13.919 0.969 -0.084 1.00 1.23 H new ATOM 0 HD3 PRO A 24 -13.710 -0.769 -0.002 1.00 1.23 H new ATOM 370 N GLN A 25 -17.642 1.704 -0.102 1.00 1.36 N ATOM 371 CA GLN A 25 -18.674 2.749 -0.142 1.00 1.35 C ATOM 372 C GLN A 25 -18.694 3.508 -1.488 1.00 1.47 C ATOM 373 O GLN A 25 -19.267 4.595 -1.576 1.00 1.77 O ATOM 374 CB GLN A 25 -18.472 3.681 1.073 1.00 1.53 C ATOM 375 CG GLN A 25 -19.760 4.420 1.486 1.00 2.61 C ATOM 376 CD GLN A 25 -19.581 5.934 1.561 1.00 3.36 C ATOM 377 OE1 GLN A 25 -19.563 6.536 2.621 1.00 3.74 O ATOM 378 NE2 GLN A 25 -19.434 6.604 0.439 1.00 4.42 N ATOM 0 H GLN A 25 -16.691 2.071 -0.144 1.00 1.36 H new ATOM 0 HA GLN A 25 -19.660 2.288 -0.073 1.00 1.35 H new ATOM 0 HB2 GLN A 25 -18.110 3.095 1.917 1.00 1.53 H new ATOM 0 HB3 GLN A 25 -17.699 4.413 0.838 1.00 1.53 H new ATOM 0 HG2 GLN A 25 -20.550 4.188 0.772 1.00 2.61 H new ATOM 0 HG3 GLN A 25 -20.089 4.050 2.457 1.00 2.61 H new ATOM 0 HE21 GLN A 25 -19.447 6.112 -0.454 1.00 4.42 H new ATOM 0 HE22 GLN A 25 -19.307 7.616 0.462 1.00 4.42 H new ATOM 387 N GLY A 26 -18.056 2.956 -2.532 1.00 1.22 N ATOM 388 CA GLY A 26 -17.919 3.560 -3.863 1.00 1.24 C ATOM 389 C GLY A 26 -16.511 3.403 -4.464 1.00 1.16 C ATOM 390 O GLY A 26 -15.564 3.124 -3.721 1.00 1.32 O ATOM 0 H GLY A 26 -17.605 2.043 -2.468 1.00 1.22 H new ATOM 0 HA2 GLY A 26 -18.646 3.106 -4.536 1.00 1.24 H new ATOM 0 HA3 GLY A 26 -18.163 4.621 -3.799 1.00 1.24 H new ATOM 394 N PRO A 27 -16.360 3.546 -5.796 1.00 0.86 N ATOM 395 CA PRO A 27 -15.077 3.457 -6.489 1.00 0.94 C ATOM 396 C PRO A 27 -14.268 4.751 -6.340 1.00 1.12 C ATOM 397 O PRO A 27 -14.824 5.817 -6.077 1.00 1.07 O ATOM 398 CB PRO A 27 -15.432 3.178 -7.952 1.00 1.02 C ATOM 399 CG PRO A 27 -16.749 3.936 -8.123 1.00 0.91 C ATOM 400 CD PRO A 27 -17.429 3.764 -6.763 1.00 0.80 C ATOM 0 HA PRO A 27 -14.445 2.673 -6.072 1.00 0.94 H new ATOM 0 HB2 PRO A 27 -14.663 3.542 -8.633 1.00 1.02 H new ATOM 0 HB3 PRO A 27 -15.549 2.112 -8.145 1.00 1.02 H new ATOM 0 HG2 PRO A 27 -16.581 4.987 -8.360 1.00 0.91 H new ATOM 0 HG3 PRO A 27 -17.352 3.520 -8.930 1.00 0.91 H new ATOM 0 HD2 PRO A 27 -18.012 4.648 -6.505 1.00 0.80 H new ATOM 0 HD3 PRO A 27 -18.119 2.920 -6.777 1.00 0.80 H new ATOM 408 N VAL A 28 -12.950 4.651 -6.508 1.00 0.87 N ATOM 409 CA VAL A 28 -11.997 5.740 -6.255 1.00 1.13 C ATOM 410 C VAL A 28 -10.868 5.753 -7.289 1.00 1.35 C ATOM 411 O VAL A 28 -10.660 4.773 -8.006 1.00 1.35 O ATOM 412 CB VAL A 28 -11.400 5.628 -4.834 1.00 1.39 C ATOM 413 CG1 VAL A 28 -12.394 6.071 -3.749 1.00 2.31 C ATOM 414 CG2 VAL A 28 -10.829 4.235 -4.509 1.00 2.25 C ATOM 0 H VAL A 28 -12.502 3.794 -6.831 1.00 0.87 H new ATOM 0 HA VAL A 28 -12.549 6.676 -6.339 1.00 1.13 H new ATOM 0 HB VAL A 28 -10.557 6.320 -4.831 1.00 1.39 H new ATOM 0 HG11 VAL A 28 -11.929 5.974 -2.768 1.00 2.31 H new ATOM 0 HG12 VAL A 28 -12.676 7.111 -3.916 1.00 2.31 H new ATOM 0 HG13 VAL A 28 -13.284 5.443 -3.792 1.00 2.31 H new ATOM 0 HG21 VAL A 28 -10.428 4.234 -3.495 1.00 2.25 H new ATOM 0 HG22 VAL A 28 -11.621 3.490 -4.587 1.00 2.25 H new ATOM 0 HG23 VAL A 28 -10.033 3.994 -5.214 1.00 2.25 H new ATOM 424 N ARG A 29 -10.102 6.850 -7.310 1.00 0.99 N ATOM 425 CA ARG A 29 -8.781 6.916 -7.943 1.00 0.86 C ATOM 426 C ARG A 29 -7.702 7.387 -6.958 1.00 1.20 C ATOM 427 O ARG A 29 -8.017 8.054 -5.972 1.00 1.38 O ATOM 428 CB ARG A 29 -8.795 7.817 -9.195 1.00 1.12 C ATOM 429 CG ARG A 29 -9.396 7.117 -10.423 1.00 1.44 C ATOM 430 CD ARG A 29 -9.127 7.875 -11.733 1.00 2.18 C ATOM 431 NE ARG A 29 -9.107 6.947 -12.885 1.00 3.35 N ATOM 432 CZ ARG A 29 -8.082 6.172 -13.245 1.00 4.73 C ATOM 433 NH1 ARG A 29 -6.861 6.328 -12.791 1.00 5.34 N ATOM 434 NH2 ARG A 29 -8.269 5.176 -14.077 1.00 6.10 N ATOM 0 H ARG A 29 -10.388 7.730 -6.881 1.00 0.99 H new ATOM 0 HA ARG A 29 -8.533 5.902 -8.257 1.00 0.86 H new ATOM 0 HB2 ARG A 29 -9.366 8.720 -8.981 1.00 1.12 H new ATOM 0 HB3 ARG A 29 -7.776 8.131 -9.423 1.00 1.12 H new ATOM 0 HG2 ARG A 29 -8.984 6.111 -10.500 1.00 1.44 H new ATOM 0 HG3 ARG A 29 -10.472 7.011 -10.285 1.00 1.44 H new ATOM 0 HD2 ARG A 29 -9.896 8.632 -11.884 1.00 2.18 H new ATOM 0 HD3 ARG A 29 -8.173 8.398 -11.666 1.00 2.18 H new ATOM 0 HE ARG A 29 -9.952 6.895 -13.455 1.00 3.35 H new ATOM 0 HH11 ARG A 29 -6.656 7.074 -12.126 1.00 5.34 H new ATOM 0 HH12 ARG A 29 -6.117 5.704 -13.103 1.00 5.34 H new ATOM 0 HH21 ARG A 29 -9.200 4.992 -14.451 1.00 6.10 H new ATOM 0 HH22 ARG A 29 -7.484 4.585 -14.350 1.00 6.10 H new ATOM 448 N LEU A 30 -6.422 7.121 -7.235 1.00 0.72 N ATOM 449 CA LEU A 30 -5.309 7.720 -6.487 1.00 0.72 C ATOM 450 C LEU A 30 -5.297 9.248 -6.652 1.00 1.09 C ATOM 451 O LEU A 30 -4.988 9.974 -5.713 1.00 1.20 O ATOM 452 CB LEU A 30 -3.988 7.064 -6.918 1.00 0.77 C ATOM 453 CG LEU A 30 -2.761 7.459 -6.072 1.00 0.89 C ATOM 454 CD1 LEU A 30 -2.898 7.003 -4.610 1.00 2.02 C ATOM 455 CD2 LEU A 30 -1.506 6.833 -6.695 1.00 2.00 C ATOM 0 H LEU A 30 -6.128 6.489 -7.979 1.00 0.72 H new ATOM 0 HA LEU A 30 -5.439 7.531 -5.422 1.00 0.72 H new ATOM 0 HB2 LEU A 30 -4.106 5.981 -6.877 1.00 0.77 H new ATOM 0 HB3 LEU A 30 -3.793 7.324 -7.958 1.00 0.77 H new ATOM 0 HG LEU A 30 -2.685 8.546 -6.068 1.00 0.89 H new ATOM 0 HD11 LEU A 30 -2.011 7.302 -4.051 1.00 2.02 H new ATOM 0 HD12 LEU A 30 -3.780 7.465 -4.166 1.00 2.02 H new ATOM 0 HD13 LEU A 30 -3.000 5.918 -4.575 1.00 2.02 H new ATOM 0 HD21 LEU A 30 -0.632 7.106 -6.104 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.610 5.748 -6.710 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.384 7.200 -7.714 1.00 2.00 H new ATOM 467 N SER A 31 -5.747 9.751 -7.798 1.00 0.97 N ATOM 468 CA SER A 31 -5.980 11.175 -8.078 1.00 1.15 C ATOM 469 C SER A 31 -7.084 11.833 -7.225 1.00 1.36 C ATOM 470 O SER A 31 -7.221 13.056 -7.291 1.00 1.73 O ATOM 471 CB SER A 31 -6.231 11.382 -9.582 1.00 1.43 C ATOM 472 OG SER A 31 -7.189 10.486 -10.117 1.00 1.68 O ATOM 0 H SER A 31 -5.971 9.156 -8.595 1.00 0.97 H new ATOM 0 HA SER A 31 -5.067 11.692 -7.782 1.00 1.15 H new ATOM 0 HB2 SER A 31 -6.567 12.405 -9.750 1.00 1.43 H new ATOM 0 HB3 SER A 31 -5.291 11.262 -10.120 1.00 1.43 H new ATOM 0 HG SER A 31 -6.803 10.015 -10.885 1.00 1.68 H new ATOM 478 N GLN A 32 -7.816 11.090 -6.380 1.00 1.14 N ATOM 479 CA GLN A 32 -8.668 11.670 -5.330 1.00 1.27 C ATOM 480 C GLN A 32 -7.864 12.089 -4.081 1.00 1.52 C ATOM 481 O GLN A 32 -8.338 12.909 -3.297 1.00 1.69 O ATOM 482 CB GLN A 32 -9.751 10.663 -4.895 1.00 1.30 C ATOM 483 CG GLN A 32 -10.582 10.016 -6.016 1.00 1.88 C ATOM 484 CD GLN A 32 -11.364 10.985 -6.894 1.00 2.87 C ATOM 485 OE1 GLN A 32 -11.215 11.012 -8.099 1.00 3.61 O ATOM 486 NE2 GLN A 32 -12.239 11.790 -6.333 1.00 3.30 N ATOM 0 H GLN A 32 -7.834 10.070 -6.405 1.00 1.14 H new ATOM 0 HA GLN A 32 -9.124 12.560 -5.763 1.00 1.27 H new ATOM 0 HB2 GLN A 32 -9.268 9.868 -4.327 1.00 1.30 H new ATOM 0 HB3 GLN A 32 -10.434 11.171 -4.214 1.00 1.30 H new ATOM 0 HG2 GLN A 32 -9.913 9.435 -6.652 1.00 1.88 H new ATOM 0 HG3 GLN A 32 -11.283 9.314 -5.566 1.00 1.88 H new ATOM 0 HE21 GLN A 32 -12.371 11.775 -5.322 1.00 3.30 H new ATOM 0 HE22 GLN A 32 -12.786 12.430 -6.909 1.00 3.30 H new ATOM 495 N PHE A 33 -6.669 11.523 -3.867 1.00 1.04 N ATOM 496 CA PHE A 33 -5.887 11.664 -2.630 1.00 1.08 C ATOM 497 C PHE A 33 -4.606 12.493 -2.829 1.00 1.98 C ATOM 498 O PHE A 33 -3.694 12.439 -2.010 1.00 2.42 O ATOM 499 CB PHE A 33 -5.577 10.257 -2.081 1.00 1.29 C ATOM 500 CG PHE A 33 -6.793 9.371 -1.861 1.00 1.18 C ATOM 501 CD1 PHE A 33 -7.636 9.579 -0.751 1.00 1.98 C ATOM 502 CD2 PHE A 33 -7.086 8.336 -2.767 1.00 2.37 C ATOM 503 CE1 PHE A 33 -8.765 8.761 -0.557 1.00 2.05 C ATOM 504 CE2 PHE A 33 -8.216 7.522 -2.577 1.00 2.40 C ATOM 505 CZ PHE A 33 -9.057 7.734 -1.473 1.00 1.56 C ATOM 0 H PHE A 33 -6.207 10.940 -4.565 1.00 1.04 H new ATOM 0 HA PHE A 33 -6.480 12.219 -1.903 1.00 1.08 H new ATOM 0 HB2 PHE A 33 -4.900 9.755 -2.772 1.00 1.29 H new ATOM 0 HB3 PHE A 33 -5.046 10.361 -1.135 1.00 1.29 H new ATOM 0 HD1 PHE A 33 -7.415 10.368 -0.047 1.00 1.98 H new ATOM 0 HD2 PHE A 33 -6.438 8.166 -3.614 1.00 2.37 H new ATOM 0 HE1 PHE A 33 -9.408 8.922 0.296 1.00 2.05 H new ATOM 0 HE2 PHE A 33 -8.437 6.733 -3.281 1.00 2.40 H new ATOM 0 HZ PHE A 33 -9.926 7.110 -1.327 1.00 1.56 H new ATOM 515 N GLN A 34 -4.514 13.246 -3.930 1.00 0.79 N ATOM 516 CA GLN A 34 -3.302 13.975 -4.335 1.00 0.89 C ATOM 517 C GLN A 34 -2.988 15.244 -3.519 1.00 1.26 C ATOM 518 O GLN A 34 -1.979 15.886 -3.771 1.00 2.04 O ATOM 519 CB GLN A 34 -3.265 14.203 -5.857 1.00 0.99 C ATOM 520 CG GLN A 34 -4.454 14.960 -6.440 1.00 1.37 C ATOM 521 CD GLN A 34 -4.363 15.092 -7.964 1.00 1.59 C ATOM 522 OE1 GLN A 34 -3.305 15.263 -8.561 1.00 2.01 O ATOM 523 NE2 GLN A 34 -5.472 14.942 -8.660 1.00 2.95 N ATOM 0 H GLN A 34 -5.292 13.370 -4.578 1.00 0.79 H new ATOM 0 HA GLN A 34 -2.474 13.314 -4.080 1.00 0.89 H new ATOM 0 HB2 GLN A 34 -2.354 14.749 -6.102 1.00 0.99 H new ATOM 0 HB3 GLN A 34 -3.198 13.233 -6.350 1.00 0.99 H new ATOM 0 HG2 GLN A 34 -5.377 14.443 -6.176 1.00 1.37 H new ATOM 0 HG3 GLN A 34 -4.505 15.953 -5.993 1.00 1.37 H new ATOM 0 HE21 GLN A 34 -6.360 14.799 -8.179 1.00 2.95 H new ATOM 0 HE22 GLN A 34 -5.442 14.969 -9.679 1.00 2.95 H new ATOM 532 N ASP A 35 -3.779 15.570 -2.493 1.00 1.17 N ATOM 533 CA ASP A 35 -3.360 16.461 -1.394 1.00 1.37 C ATOM 534 C ASP A 35 -2.272 15.829 -0.484 1.00 1.20 C ATOM 535 O ASP A 35 -1.585 16.525 0.269 1.00 1.46 O ATOM 536 CB ASP A 35 -4.536 16.651 -0.425 1.00 1.79 C ATOM 537 CG ASP A 35 -5.665 17.643 -0.685 1.00 2.62 C ATOM 538 OD1 ASP A 35 -5.843 18.144 -1.812 1.00 3.43 O ATOM 539 OD2 ASP A 35 -6.361 17.826 0.351 1.00 3.76 O ATOM 0 H ASP A 35 -4.734 15.224 -2.396 1.00 1.17 H new ATOM 0 HA ASP A 35 -3.002 17.370 -1.878 1.00 1.37 H new ATOM 0 HB2 ASP A 35 -5.002 15.673 -0.307 1.00 1.79 H new ATOM 0 HB3 ASP A 35 -4.104 16.917 0.540 1.00 1.79 H new ATOM 544 N LYS A 36 -2.261 14.496 -0.372 1.00 0.83 N ATOM 545 CA LYS A 36 -1.739 13.771 0.800 1.00 0.86 C ATOM 546 C LYS A 36 -0.340 13.148 0.568 1.00 1.17 C ATOM 547 O LYS A 36 0.214 13.144 -0.540 1.00 1.35 O ATOM 548 CB LYS A 36 -2.767 12.685 1.207 1.00 1.12 C ATOM 549 CG LYS A 36 -4.194 13.131 1.582 1.00 1.49 C ATOM 550 CD LYS A 36 -4.313 13.895 2.910 1.00 1.38 C ATOM 551 CE LYS A 36 -4.339 15.419 2.740 1.00 1.88 C ATOM 552 NZ LYS A 36 -5.679 15.918 2.312 1.00 2.12 N ATOM 0 H LYS A 36 -2.619 13.879 -1.101 1.00 0.83 H new ATOM 0 HA LYS A 36 -1.604 14.492 1.606 1.00 0.86 H new ATOM 0 HB2 LYS A 36 -2.846 11.977 0.382 1.00 1.12 H new ATOM 0 HB3 LYS A 36 -2.355 12.140 2.056 1.00 1.12 H new ATOM 0 HG2 LYS A 36 -4.582 13.762 0.782 1.00 1.49 H new ATOM 0 HG3 LYS A 36 -4.832 12.249 1.630 1.00 1.49 H new ATOM 0 HD2 LYS A 36 -5.222 13.579 3.421 1.00 1.38 H new ATOM 0 HD3 LYS A 36 -3.475 13.623 3.552 1.00 1.38 H new ATOM 0 HE2 LYS A 36 -4.061 15.892 3.682 1.00 1.88 H new ATOM 0 HE3 LYS A 36 -3.592 15.713 2.003 1.00 1.88 H new ATOM 0 HZ1 LYS A 36 -5.581 16.870 1.904 1.00 2.12 H new ATOM 0 HZ2 LYS A 36 -6.077 15.275 1.598 1.00 2.12 H new ATOM 0 HZ3 LYS A 36 -6.314 15.957 3.135 1.00 2.12 H new ATOM 566 N VAL A 37 0.188 12.517 1.623 1.00 0.87 N ATOM 567 CA VAL A 37 1.094 11.368 1.509 1.00 0.80 C ATOM 568 C VAL A 37 0.265 10.100 1.727 1.00 1.13 C ATOM 569 O VAL A 37 -0.549 10.031 2.647 1.00 1.51 O ATOM 570 CB VAL A 37 2.313 11.402 2.472 1.00 0.99 C ATOM 571 CG1 VAL A 37 3.503 12.066 1.772 1.00 2.14 C ATOM 572 CG2 VAL A 37 2.083 12.131 3.804 1.00 1.34 C ATOM 0 H VAL A 37 -0.003 12.791 2.587 1.00 0.87 H new ATOM 0 HA VAL A 37 1.538 11.396 0.514 1.00 0.80 H new ATOM 0 HB VAL A 37 2.499 10.357 2.719 1.00 0.99 H new ATOM 0 HG11 VAL A 37 4.357 12.089 2.449 1.00 2.14 H new ATOM 0 HG12 VAL A 37 3.763 11.498 0.879 1.00 2.14 H new ATOM 0 HG13 VAL A 37 3.237 13.084 1.489 1.00 2.14 H new ATOM 0 HG21 VAL A 37 2.995 12.096 4.400 1.00 1.34 H new ATOM 0 HG22 VAL A 37 1.817 13.170 3.609 1.00 1.34 H new ATOM 0 HG23 VAL A 37 1.274 11.645 4.350 1.00 1.34 H new ATOM 582 N VAL A 38 0.455 9.126 0.838 1.00 0.58 N ATOM 583 CA VAL A 38 -0.262 7.846 0.856 1.00 0.59 C ATOM 584 C VAL A 38 0.736 6.700 0.704 1.00 0.90 C ATOM 585 O VAL A 38 1.710 6.796 -0.054 1.00 0.83 O ATOM 586 CB VAL A 38 -1.392 7.774 -0.204 1.00 0.73 C ATOM 587 CG1 VAL A 38 -2.193 6.463 -0.132 1.00 1.07 C ATOM 588 CG2 VAL A 38 -2.376 8.950 -0.082 1.00 1.10 C ATOM 0 H VAL A 38 1.123 9.203 0.071 1.00 0.58 H new ATOM 0 HA VAL A 38 -0.763 7.754 1.820 1.00 0.59 H new ATOM 0 HB VAL A 38 -0.879 7.823 -1.165 1.00 0.73 H new ATOM 0 HG11 VAL A 38 -2.970 6.469 -0.897 1.00 1.07 H new ATOM 0 HG12 VAL A 38 -1.525 5.619 -0.300 1.00 1.07 H new ATOM 0 HG13 VAL A 38 -2.653 6.371 0.852 1.00 1.07 H new ATOM 0 HG21 VAL A 38 -3.150 8.858 -0.844 1.00 1.10 H new ATOM 0 HG22 VAL A 38 -2.837 8.938 0.906 1.00 1.10 H new ATOM 0 HG23 VAL A 38 -1.840 9.889 -0.221 1.00 1.10 H new ATOM 598 N LEU A 39 0.497 5.631 1.464 1.00 0.54 N ATOM 599 CA LEU A 39 1.279 4.398 1.469 1.00 0.57 C ATOM 600 C LEU A 39 0.440 3.286 0.824 1.00 1.04 C ATOM 601 O LEU A 39 -0.714 3.065 1.200 1.00 1.12 O ATOM 602 CB LEU A 39 1.713 4.048 2.907 1.00 0.68 C ATOM 603 CG LEU A 39 2.650 5.085 3.580 1.00 0.99 C ATOM 604 CD1 LEU A 39 1.906 6.274 4.217 1.00 2.08 C ATOM 605 CD2 LEU A 39 3.481 4.408 4.679 1.00 1.78 C ATOM 0 H LEU A 39 -0.282 5.601 2.122 1.00 0.54 H new ATOM 0 HA LEU A 39 2.193 4.520 0.888 1.00 0.57 H new ATOM 0 HB2 LEU A 39 0.820 3.934 3.522 1.00 0.68 H new ATOM 0 HB3 LEU A 39 2.216 3.081 2.893 1.00 0.68 H new ATOM 0 HG LEU A 39 3.279 5.474 2.779 1.00 0.99 H new ATOM 0 HD11 LEU A 39 2.628 6.956 4.667 1.00 2.08 H new ATOM 0 HD12 LEU A 39 1.338 6.801 3.450 1.00 2.08 H new ATOM 0 HD13 LEU A 39 1.225 5.908 4.985 1.00 2.08 H new ATOM 0 HD21 LEU A 39 4.136 5.144 5.146 1.00 1.78 H new ATOM 0 HD22 LEU A 39 2.815 3.986 5.431 1.00 1.78 H new ATOM 0 HD23 LEU A 39 4.084 3.612 4.241 1.00 1.78 H new ATOM 617 N LEU A 40 1.020 2.621 -0.178 1.00 0.65 N ATOM 618 CA LEU A 40 0.366 1.635 -1.039 1.00 0.59 C ATOM 619 C LEU A 40 0.949 0.246 -0.777 1.00 0.97 C ATOM 620 O LEU A 40 2.171 0.089 -0.715 1.00 1.17 O ATOM 621 CB LEU A 40 0.578 2.050 -2.519 1.00 0.76 C ATOM 622 CG LEU A 40 -0.701 2.407 -3.299 1.00 0.89 C ATOM 623 CD1 LEU A 40 -1.627 1.191 -3.432 1.00 1.66 C ATOM 624 CD2 LEU A 40 -1.427 3.612 -2.686 1.00 2.23 C ATOM 0 H LEU A 40 2.001 2.762 -0.421 1.00 0.65 H new ATOM 0 HA LEU A 40 -0.702 1.599 -0.824 1.00 0.59 H new ATOM 0 HB2 LEU A 40 1.249 2.908 -2.544 1.00 0.76 H new ATOM 0 HB3 LEU A 40 1.083 1.235 -3.038 1.00 0.76 H new ATOM 0 HG LEU A 40 -0.399 2.700 -4.304 1.00 0.89 H new ATOM 0 HD11 LEU A 40 -2.521 1.474 -3.987 1.00 1.66 H new ATOM 0 HD12 LEU A 40 -1.107 0.394 -3.963 1.00 1.66 H new ATOM 0 HD13 LEU A 40 -1.911 0.840 -2.440 1.00 1.66 H new ATOM 0 HD21 LEU A 40 -2.323 3.830 -3.266 1.00 2.23 H new ATOM 0 HD22 LEU A 40 -1.707 3.383 -1.658 1.00 2.23 H new ATOM 0 HD23 LEU A 40 -0.767 4.479 -2.698 1.00 2.23 H new ATOM 636 N PHE A 41 0.077 -0.760 -0.659 1.00 0.50 N ATOM 637 CA PHE A 41 0.452 -2.160 -0.468 1.00 0.50 C ATOM 638 C PHE A 41 -0.469 -3.120 -1.227 1.00 1.39 C ATOM 639 O PHE A 41 -1.678 -2.886 -1.329 1.00 1.80 O ATOM 640 CB PHE A 41 0.435 -2.456 1.035 1.00 0.53 C ATOM 641 CG PHE A 41 0.882 -3.847 1.448 1.00 0.77 C ATOM 642 CD1 PHE A 41 2.038 -4.436 0.895 1.00 1.82 C ATOM 643 CD2 PHE A 41 0.164 -4.539 2.436 1.00 2.01 C ATOM 644 CE1 PHE A 41 2.491 -5.676 1.367 1.00 1.82 C ATOM 645 CE2 PHE A 41 0.621 -5.780 2.912 1.00 1.92 C ATOM 646 CZ PHE A 41 1.795 -6.341 2.387 1.00 0.98 C ATOM 0 H PHE A 41 -0.932 -0.618 -0.695 1.00 0.50 H new ATOM 0 HA PHE A 41 1.450 -2.318 -0.876 1.00 0.50 H new ATOM 0 HB2 PHE A 41 1.074 -1.728 1.535 1.00 0.53 H new ATOM 0 HB3 PHE A 41 -0.578 -2.298 1.404 1.00 0.53 H new ATOM 0 HD1 PHE A 41 2.575 -3.931 0.106 1.00 1.82 H new ATOM 0 HD2 PHE A 41 -0.746 -4.115 2.833 1.00 2.01 H new ATOM 0 HE1 PHE A 41 3.379 -6.121 0.944 1.00 1.82 H new ATOM 0 HE2 PHE A 41 0.069 -6.301 3.681 1.00 1.92 H new ATOM 0 HZ PHE A 41 2.162 -7.283 2.767 1.00 0.98 H new ATOM 656 N PHE A 42 0.111 -4.220 -1.715 1.00 0.65 N ATOM 657 CA PHE A 42 -0.565 -5.268 -2.482 1.00 0.69 C ATOM 658 C PHE A 42 -0.514 -6.608 -1.730 1.00 1.92 C ATOM 659 O PHE A 42 0.559 -7.180 -1.517 1.00 2.32 O ATOM 660 CB PHE A 42 0.063 -5.344 -3.879 1.00 0.76 C ATOM 661 CG PHE A 42 -0.257 -4.126 -4.726 1.00 0.78 C ATOM 662 CD1 PHE A 42 0.489 -2.938 -4.577 1.00 2.03 C ATOM 663 CD2 PHE A 42 -1.325 -4.170 -5.643 1.00 2.12 C ATOM 664 CE1 PHE A 42 0.183 -1.809 -5.359 1.00 1.89 C ATOM 665 CE2 PHE A 42 -1.629 -3.039 -6.423 1.00 2.09 C ATOM 666 CZ PHE A 42 -0.877 -1.860 -6.278 1.00 0.89 C ATOM 0 H PHE A 42 1.104 -4.412 -1.581 1.00 0.65 H new ATOM 0 HA PHE A 42 -1.622 -5.028 -2.601 1.00 0.69 H new ATOM 0 HB2 PHE A 42 1.144 -5.442 -3.783 1.00 0.76 H new ATOM 0 HB3 PHE A 42 -0.295 -6.240 -4.387 1.00 0.76 H new ATOM 0 HD1 PHE A 42 1.297 -2.895 -3.861 1.00 2.03 H new ATOM 0 HD2 PHE A 42 -1.910 -5.072 -5.747 1.00 2.12 H new ATOM 0 HE1 PHE A 42 0.763 -0.904 -5.252 1.00 1.89 H new ATOM 0 HE2 PHE A 42 -2.441 -3.077 -7.134 1.00 2.09 H new ATOM 0 HZ PHE A 42 -1.115 -0.992 -6.875 1.00 0.89 H new ATOM 676 N GLY A 43 -1.694 -7.071 -1.303 1.00 0.76 N ATOM 677 CA GLY A 43 -1.929 -8.290 -0.522 1.00 0.91 C ATOM 678 C GLY A 43 -3.224 -9.006 -0.914 1.00 1.03 C ATOM 679 O GLY A 43 -3.933 -8.598 -1.825 1.00 0.98 O ATOM 0 H GLY A 43 -2.562 -6.575 -1.506 1.00 0.76 H new ATOM 0 HA2 GLY A 43 -1.088 -8.970 -0.657 1.00 0.91 H new ATOM 0 HA3 GLY A 43 -1.966 -8.036 0.537 1.00 0.91 H new ATOM 683 N PHE A 44 -3.563 -10.083 -0.206 1.00 1.17 N ATOM 684 CA PHE A 44 -4.814 -10.841 -0.376 1.00 1.18 C ATOM 685 C PHE A 44 -5.287 -11.334 0.994 1.00 1.75 C ATOM 686 O PHE A 44 -4.465 -11.866 1.742 1.00 2.30 O ATOM 687 CB PHE A 44 -4.534 -12.008 -1.339 1.00 1.29 C ATOM 688 CG PHE A 44 -5.644 -13.036 -1.461 1.00 2.22 C ATOM 689 CD1 PHE A 44 -6.752 -12.790 -2.290 1.00 3.77 C ATOM 690 CD2 PHE A 44 -5.555 -14.256 -0.764 1.00 2.89 C ATOM 691 CE1 PHE A 44 -7.765 -13.757 -2.423 1.00 4.89 C ATOM 692 CE2 PHE A 44 -6.568 -15.225 -0.895 1.00 3.98 C ATOM 693 CZ PHE A 44 -7.676 -14.975 -1.725 1.00 4.79 C ATOM 0 H PHE A 44 -2.962 -10.467 0.523 1.00 1.17 H new ATOM 0 HA PHE A 44 -5.606 -10.221 -0.797 1.00 1.18 H new ATOM 0 HB2 PHE A 44 -4.331 -11.599 -2.329 1.00 1.29 H new ATOM 0 HB3 PHE A 44 -3.627 -12.516 -1.012 1.00 1.29 H new ATOM 0 HD1 PHE A 44 -6.826 -11.856 -2.827 1.00 3.77 H new ATOM 0 HD2 PHE A 44 -4.706 -14.450 -0.126 1.00 2.89 H new ATOM 0 HE1 PHE A 44 -8.613 -13.564 -3.063 1.00 4.89 H new ATOM 0 HE2 PHE A 44 -6.494 -16.160 -0.359 1.00 3.98 H new ATOM 0 HZ PHE A 44 -8.456 -15.716 -1.826 1.00 4.79 H new ATOM 703 N THR A 45 -6.557 -11.143 1.380 1.00 1.41 N ATOM 704 CA THR A 45 -7.027 -11.484 2.739 1.00 1.56 C ATOM 705 C THR A 45 -6.843 -12.966 3.056 1.00 2.08 C ATOM 706 O THR A 45 -6.801 -13.817 2.173 1.00 3.31 O ATOM 707 CB THR A 45 -8.459 -11.025 3.029 1.00 1.58 C ATOM 708 OG1 THR A 45 -9.358 -11.509 2.071 1.00 2.21 O ATOM 709 CG2 THR A 45 -8.535 -9.505 3.096 1.00 1.26 C ATOM 0 H THR A 45 -7.280 -10.755 0.774 1.00 1.41 H new ATOM 0 HA THR A 45 -6.386 -10.916 3.413 1.00 1.56 H new ATOM 0 HB THR A 45 -8.743 -11.436 3.998 1.00 1.58 H new ATOM 0 HG1 THR A 45 -9.895 -10.767 1.722 1.00 2.21 H new ATOM 0 HG21 THR A 45 -9.561 -9.201 3.303 1.00 1.26 H new ATOM 0 HG22 THR A 45 -7.882 -9.143 3.890 1.00 1.26 H new ATOM 0 HG23 THR A 45 -8.216 -9.082 2.143 1.00 1.26 H new ATOM 717 N ARG A 46 -6.621 -13.237 4.350 1.00 2.41 N ATOM 718 CA ARG A 46 -6.092 -14.488 4.932 1.00 2.64 C ATOM 719 C ARG A 46 -4.553 -14.550 4.865 1.00 2.58 C ATOM 720 O ARG A 46 -3.966 -15.497 5.387 1.00 3.18 O ATOM 721 CB ARG A 46 -6.701 -15.781 4.337 1.00 2.97 C ATOM 722 CG ARG A 46 -8.239 -15.825 4.362 1.00 3.93 C ATOM 723 CD ARG A 46 -8.780 -17.040 3.595 1.00 4.56 C ATOM 724 NE ARG A 46 -8.564 -18.311 4.326 1.00 4.99 N ATOM 725 CZ ARG A 46 -8.208 -19.489 3.819 1.00 5.47 C ATOM 726 NH1 ARG A 46 -7.937 -19.645 2.538 1.00 5.69 N ATOM 727 NH2 ARG A 46 -8.127 -20.541 4.610 1.00 6.29 N ATOM 0 H ARG A 46 -6.819 -12.543 5.071 1.00 2.41 H new ATOM 0 HA ARG A 46 -6.405 -14.451 5.975 1.00 2.64 H new ATOM 0 HB2 ARG A 46 -6.363 -15.887 3.306 1.00 2.97 H new ATOM 0 HB3 ARG A 46 -6.315 -16.638 4.889 1.00 2.97 H new ATOM 0 HG2 ARG A 46 -8.586 -15.861 5.395 1.00 3.93 H new ATOM 0 HG3 ARG A 46 -8.637 -14.910 3.924 1.00 3.93 H new ATOM 0 HD2 ARG A 46 -9.846 -16.906 3.412 1.00 4.56 H new ATOM 0 HD3 ARG A 46 -8.294 -17.097 2.621 1.00 4.56 H new ATOM 0 HE ARG A 46 -8.705 -18.279 5.336 1.00 4.99 H new ATOM 0 HH11 ARG A 46 -7.997 -18.849 1.903 1.00 5.69 H new ATOM 0 HH12 ARG A 46 -7.667 -20.562 2.182 1.00 5.69 H new ATOM 0 HH21 ARG A 46 -8.337 -20.449 5.604 1.00 6.29 H new ATOM 0 HH22 ARG A 46 -7.855 -21.447 4.228 1.00 6.29 H new ATOM 741 N CYS A 47 -3.875 -13.558 4.270 1.00 2.08 N ATOM 742 CA CYS A 47 -2.422 -13.352 4.369 1.00 2.15 C ATOM 743 C CYS A 47 -1.929 -13.403 5.844 1.00 2.77 C ATOM 744 O CYS A 47 -2.274 -12.517 6.629 1.00 3.53 O ATOM 745 CB CYS A 47 -2.053 -12.034 3.661 1.00 2.39 C ATOM 746 SG CYS A 47 -3.126 -10.646 4.172 1.00 4.23 S ATOM 0 H CYS A 47 -4.335 -12.857 3.690 1.00 2.08 H new ATOM 0 HA CYS A 47 -1.905 -14.169 3.865 1.00 2.15 H new ATOM 0 HB2 CYS A 47 -1.014 -11.786 3.879 1.00 2.39 H new ATOM 0 HB3 CYS A 47 -2.129 -12.170 2.582 1.00 2.39 H new ATOM 0 HG CYS A 47 -4.144 -10.566 3.368 1.00 4.23 H new ATOM 752 N PRO A 48 -1.166 -14.440 6.250 1.00 2.90 N ATOM 753 CA PRO A 48 -1.178 -14.890 7.640 1.00 3.71 C ATOM 754 C PRO A 48 -0.202 -14.176 8.579 1.00 3.27 C ATOM 755 O PRO A 48 -0.427 -14.227 9.785 1.00 3.56 O ATOM 756 CB PRO A 48 -0.841 -16.383 7.572 1.00 4.52 C ATOM 757 CG PRO A 48 0.075 -16.474 6.355 1.00 4.10 C ATOM 758 CD PRO A 48 -0.559 -15.465 5.404 1.00 3.22 C ATOM 0 HA PRO A 48 -2.153 -14.664 8.071 1.00 3.71 H new ATOM 0 HB2 PRO A 48 -0.342 -16.726 8.479 1.00 4.52 H new ATOM 0 HB3 PRO A 48 -1.736 -16.993 7.450 1.00 4.52 H new ATOM 0 HG2 PRO A 48 1.105 -16.213 6.599 1.00 4.10 H new ATOM 0 HG3 PRO A 48 0.092 -17.478 5.932 1.00 4.10 H new ATOM 0 HD2 PRO A 48 0.189 -15.031 4.741 1.00 3.22 H new ATOM 0 HD3 PRO A 48 -1.307 -15.942 4.771 1.00 3.22 H new ATOM 766 N ASP A 49 0.877 -13.553 8.086 1.00 2.34 N ATOM 767 CA ASP A 49 2.059 -13.294 8.918 1.00 1.65 C ATOM 768 C ASP A 49 2.674 -11.966 8.457 1.00 1.39 C ATOM 769 O ASP A 49 2.253 -10.902 8.901 1.00 1.47 O ATOM 770 CB ASP A 49 2.941 -14.557 8.775 1.00 1.67 C ATOM 771 CG ASP A 49 4.381 -14.395 9.247 1.00 2.21 C ATOM 772 OD1 ASP A 49 5.177 -13.983 8.371 1.00 3.01 O ATOM 773 OD2 ASP A 49 4.660 -14.695 10.426 1.00 3.31 O ATOM 0 H ASP A 49 0.956 -13.222 7.124 1.00 2.34 H new ATOM 0 HA ASP A 49 1.875 -13.153 9.983 1.00 1.65 H new ATOM 0 HB2 ASP A 49 2.480 -15.369 9.337 1.00 1.67 H new ATOM 0 HB3 ASP A 49 2.950 -14.859 7.728 1.00 1.67 H new ATOM 778 N VAL A 50 3.523 -12.029 7.435 1.00 1.36 N ATOM 779 CA VAL A 50 4.004 -10.938 6.582 1.00 1.20 C ATOM 780 C VAL A 50 3.079 -9.710 6.454 1.00 1.33 C ATOM 781 O VAL A 50 3.507 -8.593 6.717 1.00 1.71 O ATOM 782 CB VAL A 50 4.311 -11.544 5.192 1.00 1.41 C ATOM 783 CG1 VAL A 50 3.131 -12.272 4.505 1.00 2.24 C ATOM 784 CG2 VAL A 50 4.862 -10.494 4.226 1.00 1.59 C ATOM 0 H VAL A 50 3.930 -12.922 7.155 1.00 1.36 H new ATOM 0 HA VAL A 50 4.889 -10.526 7.067 1.00 1.20 H new ATOM 0 HB VAL A 50 5.061 -12.303 5.413 1.00 1.41 H new ATOM 0 HG11 VAL A 50 3.455 -12.658 3.538 1.00 2.24 H new ATOM 0 HG12 VAL A 50 2.798 -13.099 5.133 1.00 2.24 H new ATOM 0 HG13 VAL A 50 2.307 -11.573 4.359 1.00 2.24 H new ATOM 0 HG21 VAL A 50 5.065 -10.958 3.261 1.00 1.59 H new ATOM 0 HG22 VAL A 50 4.129 -9.697 4.098 1.00 1.59 H new ATOM 0 HG23 VAL A 50 5.785 -10.077 4.629 1.00 1.59 H new ATOM 794 N CYS A 51 1.812 -9.869 6.055 1.00 1.06 N ATOM 795 CA CYS A 51 0.906 -8.725 5.877 1.00 1.18 C ATOM 796 C CYS A 51 0.479 -8.098 7.224 1.00 1.36 C ATOM 797 O CYS A 51 0.590 -6.879 7.339 1.00 1.56 O ATOM 798 CB CYS A 51 -0.262 -9.116 4.970 1.00 1.44 C ATOM 799 SG CYS A 51 0.339 -9.406 3.284 1.00 2.08 S ATOM 0 H CYS A 51 1.390 -10.775 5.849 1.00 1.06 H new ATOM 0 HA CYS A 51 1.445 -7.926 5.369 1.00 1.18 H new ATOM 0 HB2 CYS A 51 -0.746 -10.014 5.353 1.00 1.44 H new ATOM 0 HB3 CYS A 51 -1.013 -8.326 4.967 1.00 1.44 H new ATOM 0 HG CYS A 51 0.671 -8.273 2.741 1.00 2.08 H new ATOM 805 N PRO A 52 0.009 -8.871 8.225 1.00 1.02 N ATOM 806 CA PRO A 52 -0.142 -8.405 9.599 1.00 1.11 C ATOM 807 C PRO A 52 1.088 -7.670 10.152 1.00 1.32 C ATOM 808 O PRO A 52 0.920 -6.585 10.705 1.00 1.24 O ATOM 809 CB PRO A 52 -0.490 -9.658 10.410 1.00 1.29 C ATOM 810 CG PRO A 52 -1.275 -10.509 9.417 1.00 1.62 C ATOM 811 CD PRO A 52 -0.637 -10.174 8.072 1.00 1.17 C ATOM 0 HA PRO A 52 -0.922 -7.646 9.660 1.00 1.11 H new ATOM 0 HB2 PRO A 52 0.405 -10.172 10.761 1.00 1.29 H new ATOM 0 HB3 PRO A 52 -1.085 -9.415 11.291 1.00 1.29 H new ATOM 0 HG2 PRO A 52 -1.192 -11.571 9.646 1.00 1.62 H new ATOM 0 HG3 PRO A 52 -2.337 -10.262 9.429 1.00 1.62 H new ATOM 0 HD2 PRO A 52 0.090 -10.935 7.788 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -1.390 -10.143 7.284 1.00 1.17 H new ATOM 819 N THR A 53 2.310 -8.200 9.972 1.00 0.89 N ATOM 820 CA THR A 53 3.559 -7.578 10.445 1.00 0.88 C ATOM 821 C THR A 53 3.816 -6.245 9.750 1.00 1.06 C ATOM 822 O THR A 53 3.919 -5.225 10.435 1.00 1.07 O ATOM 823 CB THR A 53 4.745 -8.535 10.275 1.00 0.95 C ATOM 824 OG1 THR A 53 4.411 -9.751 10.904 1.00 1.76 O ATOM 825 CG2 THR A 53 6.000 -8.007 10.970 1.00 1.74 C ATOM 0 H THR A 53 2.460 -9.085 9.487 1.00 0.89 H new ATOM 0 HA THR A 53 3.446 -7.371 11.509 1.00 0.88 H new ATOM 0 HB THR A 53 4.945 -8.647 9.209 1.00 0.95 H new ATOM 0 HG1 THR A 53 3.818 -10.269 10.320 1.00 1.76 H new ATOM 0 HG21 THR A 53 6.819 -8.712 10.827 1.00 1.74 H new ATOM 0 HG22 THR A 53 6.274 -7.042 10.543 1.00 1.74 H new ATOM 0 HG23 THR A 53 5.804 -7.890 12.036 1.00 1.74 H new ATOM 833 N THR A 54 3.822 -6.218 8.412 1.00 0.75 N ATOM 834 CA THR A 54 3.914 -4.997 7.592 1.00 0.69 C ATOM 835 C THR A 54 2.877 -3.963 8.015 1.00 0.86 C ATOM 836 O THR A 54 3.243 -2.815 8.243 1.00 0.89 O ATOM 837 CB THR A 54 3.818 -5.357 6.099 1.00 0.68 C ATOM 838 OG1 THR A 54 5.043 -5.897 5.671 1.00 1.04 O ATOM 839 CG2 THR A 54 3.581 -4.159 5.177 1.00 0.92 C ATOM 0 H THR A 54 3.761 -7.068 7.851 1.00 0.75 H new ATOM 0 HA THR A 54 4.886 -4.533 7.757 1.00 0.69 H new ATOM 0 HB THR A 54 2.974 -6.043 6.031 1.00 0.68 H new ATOM 0 HG1 THR A 54 5.258 -6.687 6.210 1.00 1.04 H new ATOM 0 HG21 THR A 54 3.526 -4.501 4.143 1.00 0.92 H new ATOM 0 HG22 THR A 54 2.645 -3.671 5.448 1.00 0.92 H new ATOM 0 HG23 THR A 54 4.403 -3.451 5.282 1.00 0.92 H new ATOM 847 N LEU A 55 1.600 -4.324 8.178 1.00 0.71 N ATOM 848 CA LEU A 55 0.567 -3.365 8.585 1.00 0.75 C ATOM 849 C LEU A 55 0.754 -2.867 10.022 1.00 1.27 C ATOM 850 O LEU A 55 0.464 -1.698 10.289 1.00 1.52 O ATOM 851 CB LEU A 55 -0.842 -3.961 8.403 1.00 0.81 C ATOM 852 CG LEU A 55 -1.453 -3.678 7.025 1.00 1.14 C ATOM 853 CD1 LEU A 55 -0.770 -4.402 5.867 1.00 2.35 C ATOM 854 CD2 LEU A 55 -2.949 -4.016 7.028 1.00 1.73 C ATOM 0 H LEU A 55 1.257 -5.274 8.034 1.00 0.71 H new ATOM 0 HA LEU A 55 0.674 -2.500 7.930 1.00 0.75 H new ATOM 0 HB2 LEU A 55 -0.794 -5.039 8.556 1.00 0.81 H new ATOM 0 HB3 LEU A 55 -1.500 -3.559 9.173 1.00 0.81 H new ATOM 0 HG LEU A 55 -1.296 -2.613 6.853 1.00 1.14 H new ATOM 0 HD11 LEU A 55 -1.267 -4.143 4.932 1.00 2.35 H new ATOM 0 HD12 LEU A 55 0.276 -4.101 5.816 1.00 2.35 H new ATOM 0 HD13 LEU A 55 -0.831 -5.479 6.025 1.00 2.35 H new ATOM 0 HD21 LEU A 55 -3.370 -3.811 6.044 1.00 1.73 H new ATOM 0 HD22 LEU A 55 -3.083 -5.071 7.267 1.00 1.73 H new ATOM 0 HD23 LEU A 55 -3.458 -3.407 7.775 1.00 1.73 H new ATOM 866 N LEU A 56 1.256 -3.707 10.932 1.00 0.76 N ATOM 867 CA LEU A 56 1.637 -3.287 12.279 1.00 0.79 C ATOM 868 C LEU A 56 2.798 -2.287 12.226 1.00 1.19 C ATOM 869 O LEU A 56 2.746 -1.268 12.912 1.00 1.33 O ATOM 870 CB LEU A 56 2.025 -4.517 13.129 1.00 0.86 C ATOM 871 CG LEU A 56 2.109 -4.205 14.635 1.00 1.24 C ATOM 872 CD1 LEU A 56 0.734 -4.111 15.311 1.00 2.03 C ATOM 873 CD2 LEU A 56 2.958 -5.263 15.353 1.00 1.53 C ATOM 0 H LEU A 56 1.409 -4.699 10.752 1.00 0.76 H new ATOM 0 HA LEU A 56 0.783 -2.794 12.743 1.00 0.79 H new ATOM 0 HB2 LEU A 56 1.293 -5.309 12.968 1.00 0.86 H new ATOM 0 HB3 LEU A 56 2.988 -4.898 12.788 1.00 0.86 H new ATOM 0 HG LEU A 56 2.578 -3.224 14.717 1.00 1.24 H new ATOM 0 HD11 LEU A 56 0.864 -3.889 16.370 1.00 2.03 H new ATOM 0 HD12 LEU A 56 0.152 -3.317 14.843 1.00 2.03 H new ATOM 0 HD13 LEU A 56 0.209 -5.060 15.201 1.00 2.03 H new ATOM 0 HD21 LEU A 56 3.008 -5.029 16.416 1.00 1.53 H new ATOM 0 HD22 LEU A 56 2.505 -6.245 15.219 1.00 1.53 H new ATOM 0 HD23 LEU A 56 3.964 -5.267 14.935 1.00 1.53 H new ATOM 885 N ALA A 57 3.826 -2.552 11.416 1.00 0.76 N ATOM 886 CA ALA A 57 4.981 -1.675 11.251 1.00 0.78 C ATOM 887 C ALA A 57 4.619 -0.330 10.594 1.00 0.93 C ATOM 888 O ALA A 57 5.090 0.716 11.052 1.00 1.23 O ATOM 889 CB ALA A 57 6.042 -2.425 10.443 1.00 0.76 C ATOM 0 H ALA A 57 3.877 -3.398 10.848 1.00 0.76 H new ATOM 0 HA ALA A 57 5.371 -1.420 12.236 1.00 0.78 H new ATOM 0 HB1 ALA A 57 6.915 -1.787 10.308 1.00 0.76 H new ATOM 0 HB2 ALA A 57 6.333 -3.330 10.976 1.00 0.76 H new ATOM 0 HB3 ALA A 57 5.635 -2.694 9.468 1.00 0.76 H new ATOM 895 N LEU A 58 3.747 -0.361 9.573 1.00 0.76 N ATOM 896 CA LEU A 58 3.171 0.814 8.907 1.00 0.81 C ATOM 897 C LEU A 58 2.342 1.650 9.887 1.00 1.24 C ATOM 898 O LEU A 58 2.657 2.818 10.116 1.00 1.45 O ATOM 899 CB LEU A 58 2.295 0.357 7.720 1.00 0.79 C ATOM 900 CG LEU A 58 3.057 -0.184 6.489 1.00 1.02 C ATOM 901 CD1 LEU A 58 2.064 -0.873 5.541 1.00 1.14 C ATOM 902 CD2 LEU A 58 3.769 0.932 5.722 1.00 1.41 C ATOM 0 H LEU A 58 3.413 -1.239 9.176 1.00 0.76 H new ATOM 0 HA LEU A 58 3.984 1.439 8.538 1.00 0.81 H new ATOM 0 HB2 LEU A 58 1.615 -0.419 8.072 1.00 0.79 H new ATOM 0 HB3 LEU A 58 1.680 1.199 7.402 1.00 0.79 H new ATOM 0 HG LEU A 58 3.808 -0.887 6.848 1.00 1.02 H new ATOM 0 HD11 LEU A 58 2.597 -1.256 4.671 1.00 1.14 H new ATOM 0 HD12 LEU A 58 1.578 -1.698 6.061 1.00 1.14 H new ATOM 0 HD13 LEU A 58 1.311 -0.154 5.217 1.00 1.14 H new ATOM 0 HD21 LEU A 58 4.292 0.508 4.865 1.00 1.41 H new ATOM 0 HD22 LEU A 58 3.036 1.661 5.376 1.00 1.41 H new ATOM 0 HD23 LEU A 58 4.487 1.424 6.378 1.00 1.41 H new ATOM 914 N LYS A 59 1.310 1.075 10.521 1.00 0.83 N ATOM 915 CA LYS A 59 0.495 1.820 11.491 1.00 0.88 C ATOM 916 C LYS A 59 1.330 2.363 12.669 1.00 1.09 C ATOM 917 O LYS A 59 1.071 3.466 13.149 1.00 1.17 O ATOM 918 CB LYS A 59 -0.741 0.984 11.895 1.00 0.96 C ATOM 919 CG LYS A 59 -0.564 -0.066 13.001 1.00 1.02 C ATOM 920 CD LYS A 59 -0.745 0.483 14.419 1.00 1.27 C ATOM 921 CE LYS A 59 -0.713 -0.676 15.421 1.00 1.29 C ATOM 922 NZ LYS A 59 -0.556 -0.173 16.802 1.00 2.14 N ATOM 0 H LYS A 59 1.022 0.106 10.382 1.00 0.83 H new ATOM 0 HA LYS A 59 0.110 2.723 11.017 1.00 0.88 H new ATOM 0 HB2 LYS A 59 -1.524 1.674 12.210 1.00 0.96 H new ATOM 0 HB3 LYS A 59 -1.106 0.474 11.004 1.00 0.96 H new ATOM 0 HG2 LYS A 59 -1.281 -0.871 12.841 1.00 1.02 H new ATOM 0 HG3 LYS A 59 0.431 -0.503 12.916 1.00 1.02 H new ATOM 0 HD2 LYS A 59 0.045 1.198 14.648 1.00 1.27 H new ATOM 0 HD3 LYS A 59 -1.691 1.019 14.496 1.00 1.27 H new ATOM 0 HE2 LYS A 59 -1.633 -1.255 15.343 1.00 1.29 H new ATOM 0 HE3 LYS A 59 0.109 -1.349 15.179 1.00 1.29 H new ATOM 0 HZ1 LYS A 59 -0.853 -0.908 17.475 1.00 2.14 H new ATOM 0 HZ2 LYS A 59 0.441 0.069 16.972 1.00 2.14 H new ATOM 0 HZ3 LYS A 59 -1.145 0.674 16.932 1.00 2.14 H new ATOM 936 N ARG A 60 2.393 1.659 13.076 1.00 0.91 N ATOM 937 CA ARG A 60 3.350 2.129 14.091 1.00 0.96 C ATOM 938 C ARG A 60 4.134 3.391 13.691 1.00 1.37 C ATOM 939 O ARG A 60 4.450 4.197 14.567 1.00 1.37 O ATOM 940 CB ARG A 60 4.321 0.994 14.435 1.00 0.97 C ATOM 941 CG ARG A 60 3.825 0.105 15.588 1.00 1.12 C ATOM 942 CD ARG A 60 4.224 0.673 16.958 1.00 1.64 C ATOM 943 NE ARG A 60 5.694 0.637 17.118 1.00 2.78 N ATOM 944 CZ ARG A 60 6.403 0.298 18.189 1.00 3.51 C ATOM 945 NH1 ARG A 60 5.838 0.090 19.362 1.00 3.33 N ATOM 946 NH2 ARG A 60 7.713 0.181 18.072 1.00 5.11 N ATOM 0 H ARG A 60 2.618 0.735 12.707 1.00 0.91 H new ATOM 0 HA ARG A 60 2.759 2.416 14.961 1.00 0.96 H new ATOM 0 HB2 ARG A 60 4.478 0.377 13.550 1.00 0.97 H new ATOM 0 HB3 ARG A 60 5.288 1.420 14.702 1.00 0.97 H new ATOM 0 HG2 ARG A 60 2.740 0.012 15.535 1.00 1.12 H new ATOM 0 HG3 ARG A 60 4.236 -0.898 15.477 1.00 1.12 H new ATOM 0 HD2 ARG A 60 3.866 1.698 17.053 1.00 1.64 H new ATOM 0 HD3 ARG A 60 3.750 0.095 17.751 1.00 1.64 H new ATOM 0 HE ARG A 60 6.235 0.908 16.297 1.00 2.78 H new ATOM 0 HH11 ARG A 60 4.828 0.188 19.466 1.00 3.33 H new ATOM 0 HH12 ARG A 60 6.411 -0.169 20.165 1.00 3.33 H new ATOM 0 HH21 ARG A 60 8.162 0.350 17.172 1.00 5.11 H new ATOM 0 HH22 ARG A 60 8.276 -0.078 18.882 1.00 5.11 H new ATOM 960 N ALA A 61 4.451 3.586 12.408 1.00 0.98 N ATOM 961 CA ALA A 61 5.065 4.824 11.925 1.00 1.02 C ATOM 962 C ALA A 61 4.078 6.004 11.957 1.00 1.16 C ATOM 963 O ALA A 61 4.472 7.116 12.283 1.00 1.30 O ATOM 964 CB ALA A 61 5.632 4.566 10.527 1.00 1.06 C ATOM 0 H ALA A 61 4.290 2.892 11.678 1.00 0.98 H new ATOM 0 HA ALA A 61 5.879 5.116 12.588 1.00 1.02 H new ATOM 0 HB1 ALA A 61 6.095 5.477 10.148 1.00 1.06 H new ATOM 0 HB2 ALA A 61 6.379 3.774 10.578 1.00 1.06 H new ATOM 0 HB3 ALA A 61 4.827 4.263 9.858 1.00 1.06 H new ATOM 970 N TYR A 62 2.789 5.748 11.701 1.00 1.00 N ATOM 971 CA TYR A 62 1.699 6.727 11.837 1.00 1.08 C ATOM 972 C TYR A 62 1.450 7.126 13.307 1.00 1.37 C ATOM 973 O TYR A 62 1.269 8.309 13.598 1.00 1.53 O ATOM 974 CB TYR A 62 0.443 6.131 11.161 1.00 1.14 C ATOM 975 CG TYR A 62 -0.848 6.926 11.280 1.00 1.59 C ATOM 976 CD1 TYR A 62 -1.520 7.005 12.518 1.00 2.47 C ATOM 977 CD2 TYR A 62 -1.419 7.536 10.145 1.00 2.19 C ATOM 978 CE1 TYR A 62 -2.700 7.754 12.642 1.00 3.04 C ATOM 979 CE2 TYR A 62 -2.628 8.246 10.254 1.00 2.62 C ATOM 980 CZ TYR A 62 -3.265 8.371 11.507 1.00 2.77 C ATOM 981 OH TYR A 62 -4.403 9.107 11.620 1.00 3.45 O ATOM 0 H TYR A 62 2.466 4.833 11.386 1.00 1.00 H new ATOM 0 HA TYR A 62 1.973 7.658 11.340 1.00 1.08 H new ATOM 0 HB2 TYR A 62 0.661 5.995 10.102 1.00 1.14 H new ATOM 0 HB3 TYR A 62 0.270 5.140 11.581 1.00 1.14 H new ATOM 0 HD1 TYR A 62 -1.123 6.485 13.377 1.00 2.47 H new ATOM 0 HD2 TYR A 62 -0.926 7.458 9.187 1.00 2.19 H new ATOM 0 HE1 TYR A 62 -3.175 7.858 13.606 1.00 3.04 H new ATOM 0 HE2 TYR A 62 -3.070 8.696 9.377 1.00 2.62 H new ATOM 0 HH TYR A 62 -4.346 9.678 12.414 1.00 3.45 H new ATOM 991 N GLU A 63 1.490 6.149 14.229 1.00 1.09 N ATOM 992 CA GLU A 63 1.357 6.342 15.687 1.00 1.26 C ATOM 993 C GLU A 63 2.454 7.263 16.249 1.00 1.51 C ATOM 994 O GLU A 63 2.251 7.961 17.238 1.00 1.79 O ATOM 995 CB GLU A 63 1.399 4.978 16.420 1.00 1.52 C ATOM 996 CG GLU A 63 0.085 4.185 16.300 1.00 1.57 C ATOM 997 CD GLU A 63 0.132 2.782 16.926 1.00 2.11 C ATOM 998 OE1 GLU A 63 1.115 2.019 16.740 1.00 3.23 O ATOM 999 OE2 GLU A 63 -0.896 2.343 17.491 1.00 2.35 O ATOM 0 H GLU A 63 1.620 5.170 13.974 1.00 1.09 H new ATOM 0 HA GLU A 63 0.393 6.821 15.860 1.00 1.26 H new ATOM 0 HB2 GLU A 63 2.215 4.380 16.015 1.00 1.52 H new ATOM 0 HB3 GLU A 63 1.620 5.146 17.474 1.00 1.52 H new ATOM 0 HG2 GLU A 63 -0.714 4.755 16.774 1.00 1.57 H new ATOM 0 HG3 GLU A 63 -0.174 4.091 15.245 1.00 1.57 H new ATOM 1006 N LYS A 64 3.616 7.326 15.587 1.00 1.16 N ATOM 1007 CA LYS A 64 4.721 8.215 15.953 1.00 1.24 C ATOM 1008 C LYS A 64 4.424 9.714 15.707 1.00 1.26 C ATOM 1009 O LYS A 64 5.178 10.567 16.177 1.00 1.50 O ATOM 1010 CB LYS A 64 5.940 7.759 15.127 1.00 1.58 C ATOM 1011 CG LYS A 64 7.302 8.139 15.733 1.00 2.39 C ATOM 1012 CD LYS A 64 7.942 6.985 16.519 1.00 2.39 C ATOM 1013 CE LYS A 64 9.372 7.379 16.914 1.00 3.50 C ATOM 1014 NZ LYS A 64 10.127 6.234 17.478 1.00 4.06 N ATOM 0 H LYS A 64 3.816 6.751 14.769 1.00 1.16 H new ATOM 0 HA LYS A 64 4.898 8.140 17.026 1.00 1.24 H new ATOM 0 HB2 LYS A 64 5.899 6.676 15.010 1.00 1.58 H new ATOM 0 HB3 LYS A 64 5.868 8.191 14.129 1.00 1.58 H new ATOM 0 HG2 LYS A 64 7.977 8.448 14.935 1.00 2.39 H new ATOM 0 HG3 LYS A 64 7.175 8.997 16.393 1.00 2.39 H new ATOM 0 HD2 LYS A 64 7.353 6.764 17.409 1.00 2.39 H new ATOM 0 HD3 LYS A 64 7.955 6.079 15.913 1.00 2.39 H new ATOM 0 HE2 LYS A 64 9.897 7.764 16.040 1.00 3.50 H new ATOM 0 HE3 LYS A 64 9.337 8.186 17.646 1.00 3.50 H new ATOM 0 HZ1 LYS A 64 11.087 6.543 17.732 1.00 4.06 H new ATOM 0 HZ2 LYS A 64 9.641 5.882 18.327 1.00 4.06 H new ATOM 0 HZ3 LYS A 64 10.183 5.473 16.771 1.00 4.06 H new ATOM 1028 N LEU A 65 3.414 10.056 14.895 1.00 1.14 N ATOM 1029 CA LEU A 65 3.236 11.396 14.317 1.00 1.19 C ATOM 1030 C LEU A 65 2.207 12.237 15.087 1.00 1.52 C ATOM 1031 O LEU A 65 1.128 11.724 15.397 1.00 1.71 O ATOM 1032 CB LEU A 65 2.788 11.266 12.850 1.00 1.21 C ATOM 1033 CG LEU A 65 3.779 10.535 11.926 1.00 1.43 C ATOM 1034 CD1 LEU A 65 3.168 10.454 10.524 1.00 1.75 C ATOM 1035 CD2 LEU A 65 5.144 11.233 11.866 1.00 2.08 C ATOM 0 H LEU A 65 2.686 9.399 14.617 1.00 1.14 H new ATOM 0 HA LEU A 65 4.196 11.908 14.384 1.00 1.19 H new ATOM 0 HB2 LEU A 65 1.834 10.739 12.823 1.00 1.21 H new ATOM 0 HB3 LEU A 65 2.612 12.265 12.450 1.00 1.21 H new ATOM 0 HG LEU A 65 3.953 9.537 12.329 1.00 1.43 H new ATOM 0 HD11 LEU A 65 3.858 9.938 9.856 1.00 1.75 H new ATOM 0 HD12 LEU A 65 2.227 9.905 10.568 1.00 1.75 H new ATOM 0 HD13 LEU A 65 2.984 11.461 10.149 1.00 1.75 H new ATOM 0 HD21 LEU A 65 5.807 10.679 11.202 1.00 2.08 H new ATOM 0 HD22 LEU A 65 5.017 12.248 11.489 1.00 2.08 H new ATOM 0 HD23 LEU A 65 5.579 11.269 12.865 1.00 2.08 H new ATOM 1047 N PRO A 66 2.446 13.549 15.304 1.00 1.33 N ATOM 1048 CA PRO A 66 1.483 14.416 15.966 1.00 1.51 C ATOM 1049 C PRO A 66 0.181 14.451 15.165 1.00 1.54 C ATOM 1050 O PRO A 66 0.228 14.276 13.938 1.00 1.28 O ATOM 1051 CB PRO A 66 2.122 15.806 16.038 1.00 1.78 C ATOM 1052 CG PRO A 66 3.105 15.809 14.872 1.00 1.71 C ATOM 1053 CD PRO A 66 3.533 14.348 14.760 1.00 1.51 C ATOM 0 HA PRO A 66 1.239 14.057 16.966 1.00 1.51 H new ATOM 0 HB2 PRO A 66 1.377 16.595 15.937 1.00 1.78 H new ATOM 0 HB3 PRO A 66 2.628 15.966 16.990 1.00 1.78 H new ATOM 0 HG2 PRO A 66 2.636 16.161 13.953 1.00 1.71 H new ATOM 0 HG3 PRO A 66 3.956 16.462 15.066 1.00 1.71 H new ATOM 0 HD2 PRO A 66 3.727 14.081 13.721 1.00 1.51 H new ATOM 0 HD3 PRO A 66 4.456 14.172 15.312 1.00 1.51 H new ATOM 1061 N PRO A 67 -0.959 14.740 15.828 1.00 1.39 N ATOM 1062 CA PRO A 67 -2.277 14.749 15.207 1.00 1.48 C ATOM 1063 C PRO A 67 -2.318 15.607 13.941 1.00 1.59 C ATOM 1064 O PRO A 67 -3.081 15.295 13.037 1.00 1.57 O ATOM 1065 CB PRO A 67 -3.257 15.245 16.275 1.00 1.75 C ATOM 1066 CG PRO A 67 -2.373 15.932 17.311 1.00 1.85 C ATOM 1067 CD PRO A 67 -1.076 15.132 17.227 1.00 1.61 C ATOM 0 HA PRO A 67 -2.548 13.749 14.870 1.00 1.48 H new ATOM 0 HB2 PRO A 67 -3.987 15.937 15.854 1.00 1.75 H new ATOM 0 HB3 PRO A 67 -3.817 14.420 16.715 1.00 1.75 H new ATOM 0 HG2 PRO A 67 -2.216 16.985 17.075 1.00 1.85 H new ATOM 0 HG3 PRO A 67 -2.811 15.891 18.308 1.00 1.85 H new ATOM 0 HD2 PRO A 67 -0.222 15.732 17.540 1.00 1.61 H new ATOM 0 HD3 PRO A 67 -1.109 14.259 17.879 1.00 1.61 H new ATOM 1075 N LYS A 68 -1.455 16.627 13.819 1.00 1.51 N ATOM 1076 CA LYS A 68 -1.496 17.532 12.667 1.00 1.60 C ATOM 1077 C LYS A 68 -0.595 17.120 11.496 1.00 1.58 C ATOM 1078 O LYS A 68 -0.864 17.525 10.369 1.00 1.57 O ATOM 1079 CB LYS A 68 -1.286 18.988 13.136 1.00 2.09 C ATOM 1080 CG LYS A 68 -2.504 19.585 13.886 1.00 2.81 C ATOM 1081 CD LYS A 68 -3.790 19.445 13.054 1.00 3.43 C ATOM 1082 CE LYS A 68 -5.011 20.247 13.499 1.00 4.32 C ATOM 1083 NZ LYS A 68 -6.130 19.964 12.562 1.00 4.67 N ATOM 0 H LYS A 68 -0.727 16.843 14.500 1.00 1.51 H new ATOM 0 HA LYS A 68 -2.493 17.457 12.234 1.00 1.60 H new ATOM 0 HB2 LYS A 68 -0.414 19.027 13.789 1.00 2.09 H new ATOM 0 HB3 LYS A 68 -1.064 19.611 12.269 1.00 2.09 H new ATOM 0 HG2 LYS A 68 -2.630 19.079 14.843 1.00 2.81 H new ATOM 0 HG3 LYS A 68 -2.321 20.637 14.104 1.00 2.81 H new ATOM 0 HD2 LYS A 68 -3.558 19.728 12.027 1.00 3.43 H new ATOM 0 HD3 LYS A 68 -4.068 18.391 13.039 1.00 3.43 H new ATOM 0 HE2 LYS A 68 -5.292 19.976 14.517 1.00 4.32 H new ATOM 0 HE3 LYS A 68 -4.782 21.313 13.505 1.00 4.32 H new ATOM 0 HZ1 LYS A 68 -7.011 20.365 12.942 1.00 4.67 H new ATOM 0 HZ2 LYS A 68 -5.925 20.394 11.637 1.00 4.67 H new ATOM 0 HZ3 LYS A 68 -6.237 18.936 12.450 1.00 4.67 H new ATOM 1097 N ALA A 69 0.422 16.280 11.699 1.00 1.27 N ATOM 1098 CA ALA A 69 1.069 15.582 10.585 1.00 1.20 C ATOM 1099 C ALA A 69 0.196 14.436 10.062 1.00 1.13 C ATOM 1100 O ALA A 69 0.016 14.339 8.854 1.00 1.25 O ATOM 1101 CB ALA A 69 2.459 15.115 11.026 1.00 1.36 C ATOM 0 H ALA A 69 0.813 16.067 12.617 1.00 1.27 H new ATOM 0 HA ALA A 69 1.192 16.266 9.745 1.00 1.20 H new ATOM 0 HB1 ALA A 69 2.946 14.595 10.202 1.00 1.36 H new ATOM 0 HB2 ALA A 69 3.058 15.978 11.315 1.00 1.36 H new ATOM 0 HB3 ALA A 69 2.363 14.439 11.876 1.00 1.36 H new ATOM 1107 N GLN A 70 -0.377 13.601 10.936 1.00 0.95 N ATOM 1108 CA GLN A 70 -1.052 12.372 10.498 1.00 1.10 C ATOM 1109 C GLN A 70 -2.295 12.595 9.620 1.00 1.12 C ATOM 1110 O GLN A 70 -2.540 11.779 8.742 1.00 1.41 O ATOM 1111 CB GLN A 70 -1.322 11.443 11.679 1.00 1.59 C ATOM 1112 CG GLN A 70 -2.233 12.016 12.759 1.00 1.48 C ATOM 1113 CD GLN A 70 -2.485 11.012 13.882 1.00 2.06 C ATOM 1114 OE1 GLN A 70 -3.552 10.428 13.992 1.00 2.28 O ATOM 1115 NE2 GLN A 70 -1.528 10.735 14.742 1.00 3.16 N ATOM 0 H GLN A 70 -0.388 13.751 11.945 1.00 0.95 H new ATOM 0 HA GLN A 70 -0.350 11.874 9.829 1.00 1.10 H new ATOM 0 HB2 GLN A 70 -1.766 10.522 11.302 1.00 1.59 H new ATOM 0 HB3 GLN A 70 -0.369 11.174 12.135 1.00 1.59 H new ATOM 0 HG2 GLN A 70 -1.783 12.918 13.173 1.00 1.48 H new ATOM 0 HG3 GLN A 70 -3.184 12.309 12.314 1.00 1.48 H new ATOM 0 HE21 GLN A 70 -0.627 11.208 14.673 1.00 3.16 H new ATOM 0 HE22 GLN A 70 -1.687 10.047 15.478 1.00 3.16 H new ATOM 1124 N GLU A 71 -2.996 13.732 9.729 1.00 1.12 N ATOM 1125 CA GLU A 71 -4.064 14.127 8.777 1.00 1.37 C ATOM 1126 C GLU A 71 -3.594 14.097 7.311 1.00 1.36 C ATOM 1127 O GLU A 71 -4.397 13.905 6.399 1.00 1.73 O ATOM 1128 CB GLU A 71 -4.635 15.543 9.037 1.00 1.75 C ATOM 1129 CG GLU A 71 -4.446 16.094 10.447 1.00 2.16 C ATOM 1130 CD GLU A 71 -5.118 17.454 10.668 1.00 2.89 C ATOM 1131 OE1 GLU A 71 -4.646 18.472 10.103 1.00 2.87 O ATOM 1132 OE2 GLU A 71 -6.045 17.537 11.496 1.00 4.15 O ATOM 0 H GLU A 71 -2.845 14.409 10.477 1.00 1.12 H new ATOM 0 HA GLU A 71 -4.841 13.382 8.946 1.00 1.37 H new ATOM 0 HB2 GLU A 71 -4.171 16.234 8.333 1.00 1.75 H new ATOM 0 HB3 GLU A 71 -5.702 15.529 8.814 1.00 1.75 H new ATOM 0 HG2 GLU A 71 -4.847 15.379 11.165 1.00 2.16 H new ATOM 0 HG3 GLU A 71 -3.380 16.187 10.652 1.00 2.16 H new ATOM 1139 N ARG A 72 -2.288 14.293 7.078 1.00 0.88 N ATOM 1140 CA ARG A 72 -1.661 14.199 5.762 1.00 0.87 C ATOM 1141 C ARG A 72 -1.324 12.755 5.334 1.00 1.16 C ATOM 1142 O ARG A 72 -0.978 12.607 4.165 1.00 1.46 O ATOM 1143 CB ARG A 72 -0.398 15.087 5.676 1.00 1.15 C ATOM 1144 CG ARG A 72 -0.671 16.597 5.840 1.00 1.71 C ATOM 1145 CD ARG A 72 -0.227 17.183 7.179 1.00 2.17 C ATOM 1146 NE ARG A 72 -0.592 18.618 7.284 1.00 3.21 N ATOM 1147 CZ ARG A 72 -1.713 19.122 7.796 1.00 4.64 C ATOM 1148 NH1 ARG A 72 -2.637 18.339 8.296 1.00 5.65 N ATOM 1149 NH2 ARG A 72 -1.927 20.422 7.821 1.00 5.65 N ATOM 0 H ARG A 72 -1.628 14.526 7.820 1.00 0.88 H new ATOM 0 HA ARG A 72 -2.410 14.566 5.060 1.00 0.87 H new ATOM 0 HB2 ARG A 72 0.307 14.771 6.445 1.00 1.15 H new ATOM 0 HB3 ARG A 72 0.085 14.919 4.713 1.00 1.15 H new ATOM 0 HG2 ARG A 72 -0.164 17.133 5.038 1.00 1.71 H new ATOM 0 HG3 ARG A 72 -1.739 16.775 5.717 1.00 1.71 H new ATOM 0 HD2 ARG A 72 -0.690 16.627 7.994 1.00 2.17 H new ATOM 0 HD3 ARG A 72 0.852 17.070 7.289 1.00 2.17 H new ATOM 0 HE ARG A 72 0.088 19.289 6.926 1.00 3.21 H new ATOM 0 HH11 ARG A 72 -2.503 17.328 8.297 1.00 5.65 H new ATOM 0 HH12 ARG A 72 -3.490 18.741 8.685 1.00 5.65 H new ATOM 0 HH21 ARG A 72 -1.227 21.061 7.444 1.00 5.65 H new ATOM 0 HH22 ARG A 72 -2.792 20.789 8.217 1.00 5.65 H new ATOM 1163 N VAL A 73 -1.369 11.743 6.214 1.00 0.79 N ATOM 1164 CA VAL A 73 -0.821 10.385 6.015 1.00 0.88 C ATOM 1165 C VAL A 73 -1.969 9.368 6.050 1.00 1.12 C ATOM 1166 O VAL A 73 -2.653 9.248 7.062 1.00 1.45 O ATOM 1167 CB VAL A 73 0.191 10.014 7.132 1.00 1.09 C ATOM 1168 CG1 VAL A 73 0.819 8.627 6.906 1.00 1.43 C ATOM 1169 CG2 VAL A 73 1.333 11.037 7.265 1.00 2.20 C ATOM 0 H VAL A 73 -1.808 11.850 7.128 1.00 0.79 H new ATOM 0 HA VAL A 73 -0.309 10.366 5.053 1.00 0.88 H new ATOM 0 HB VAL A 73 -0.396 10.011 8.051 1.00 1.09 H new ATOM 0 HG11 VAL A 73 1.520 8.410 7.712 1.00 1.43 H new ATOM 0 HG12 VAL A 73 0.035 7.870 6.893 1.00 1.43 H new ATOM 0 HG13 VAL A 73 1.347 8.618 5.953 1.00 1.43 H new ATOM 0 HG21 VAL A 73 2.009 10.726 8.061 1.00 2.20 H new ATOM 0 HG22 VAL A 73 1.881 11.094 6.325 1.00 2.20 H new ATOM 0 HG23 VAL A 73 0.918 12.016 7.504 1.00 2.20 H new ATOM 1179 N GLN A 74 -2.186 8.621 4.968 1.00 0.78 N ATOM 1180 CA GLN A 74 -3.209 7.569 4.908 1.00 0.80 C ATOM 1181 C GLN A 74 -2.632 6.297 4.272 1.00 1.03 C ATOM 1182 O GLN A 74 -1.689 6.369 3.486 1.00 1.27 O ATOM 1183 CB GLN A 74 -4.442 8.057 4.126 1.00 0.91 C ATOM 1184 CG GLN A 74 -5.342 9.011 4.934 1.00 1.65 C ATOM 1185 CD GLN A 74 -4.821 10.445 5.072 1.00 3.03 C ATOM 1186 OE1 GLN A 74 -4.221 11.018 4.179 1.00 3.65 O ATOM 1187 NE2 GLN A 74 -5.059 11.097 6.189 1.00 4.31 N ATOM 0 H GLN A 74 -1.656 8.726 4.103 1.00 0.78 H new ATOM 0 HA GLN A 74 -3.522 7.333 5.925 1.00 0.80 H new ATOM 0 HB2 GLN A 74 -4.111 8.563 3.219 1.00 0.91 H new ATOM 0 HB3 GLN A 74 -5.029 7.194 3.813 1.00 0.91 H new ATOM 0 HG2 GLN A 74 -6.324 9.043 4.463 1.00 1.65 H new ATOM 0 HG3 GLN A 74 -5.480 8.595 5.932 1.00 1.65 H new ATOM 0 HE21 GLN A 74 -5.559 10.638 6.950 1.00 4.31 H new ATOM 0 HE22 GLN A 74 -4.743 12.061 6.294 1.00 4.31 H new ATOM 1196 N VAL A 75 -3.193 5.131 4.603 1.00 0.69 N ATOM 1197 CA VAL A 75 -2.673 3.840 4.114 1.00 0.65 C ATOM 1198 C VAL A 75 -3.755 3.098 3.331 1.00 0.76 C ATOM 1199 O VAL A 75 -4.902 3.011 3.775 1.00 1.04 O ATOM 1200 CB VAL A 75 -2.133 2.957 5.259 1.00 0.74 C ATOM 1201 CG1 VAL A 75 -1.388 1.732 4.689 1.00 0.81 C ATOM 1202 CG2 VAL A 75 -1.185 3.728 6.191 1.00 1.01 C ATOM 0 H VAL A 75 -4.009 5.049 5.209 1.00 0.69 H new ATOM 0 HA VAL A 75 -1.834 4.055 3.452 1.00 0.65 H new ATOM 0 HB VAL A 75 -2.997 2.635 5.840 1.00 0.74 H new ATOM 0 HG11 VAL A 75 -1.014 1.120 5.509 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -2.072 1.142 4.079 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -0.552 2.068 4.076 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -0.832 3.065 6.980 1.00 1.01 H new ATOM 0 HG22 VAL A 75 -0.334 4.098 5.619 1.00 1.01 H new ATOM 0 HG23 VAL A 75 -1.716 4.570 6.635 1.00 1.01 H new ATOM 1212 N ILE A 76 -3.394 2.566 2.164 1.00 0.57 N ATOM 1213 CA ILE A 76 -4.317 1.865 1.265 1.00 0.52 C ATOM 1214 C ILE A 76 -3.804 0.452 0.984 1.00 0.72 C ATOM 1215 O ILE A 76 -2.723 0.249 0.423 1.00 0.99 O ATOM 1216 CB ILE A 76 -4.569 2.697 -0.015 1.00 0.57 C ATOM 1217 CG1 ILE A 76 -5.166 4.072 0.384 1.00 0.94 C ATOM 1218 CG2 ILE A 76 -5.501 1.933 -0.972 1.00 0.62 C ATOM 1219 CD1 ILE A 76 -5.693 4.938 -0.765 1.00 1.63 C ATOM 0 H ILE A 76 -2.439 2.609 1.809 1.00 0.57 H new ATOM 0 HA ILE A 76 -5.288 1.754 1.747 1.00 0.52 H new ATOM 0 HB ILE A 76 -3.629 2.865 -0.540 1.00 0.57 H new ATOM 0 HG12 ILE A 76 -5.982 3.901 1.086 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -4.400 4.637 0.916 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -5.670 2.529 -1.869 1.00 0.62 H new ATOM 0 HG22 ILE A 76 -5.040 0.985 -1.249 1.00 0.62 H new ATOM 0 HG23 ILE A 76 -6.454 1.743 -0.478 1.00 0.62 H new ATOM 0 HD11 ILE A 76 -6.085 5.873 -0.365 1.00 1.63 H new ATOM 0 HD12 ILE A 76 -4.882 5.153 -1.461 1.00 1.63 H new ATOM 0 HD13 ILE A 76 -6.487 4.405 -1.287 1.00 1.63 H new ATOM 1231 N PHE A 77 -4.635 -0.527 1.345 1.00 0.48 N ATOM 1232 CA PHE A 77 -4.413 -1.941 1.082 1.00 0.49 C ATOM 1233 C PHE A 77 -5.195 -2.296 -0.183 1.00 1.37 C ATOM 1234 O PHE A 77 -6.428 -2.287 -0.174 1.00 1.78 O ATOM 1235 CB PHE A 77 -4.901 -2.754 2.294 1.00 0.54 C ATOM 1236 CG PHE A 77 -4.680 -4.255 2.202 1.00 0.72 C ATOM 1237 CD1 PHE A 77 -5.551 -5.070 1.451 1.00 1.62 C ATOM 1238 CD2 PHE A 77 -3.614 -4.849 2.904 1.00 2.10 C ATOM 1239 CE1 PHE A 77 -5.351 -6.460 1.397 1.00 1.68 C ATOM 1240 CE2 PHE A 77 -3.410 -6.239 2.851 1.00 2.01 C ATOM 1241 CZ PHE A 77 -4.282 -7.048 2.098 1.00 1.04 C ATOM 0 H PHE A 77 -5.507 -0.347 1.844 1.00 0.48 H new ATOM 0 HA PHE A 77 -3.358 -2.168 0.930 1.00 0.49 H new ATOM 0 HB2 PHE A 77 -4.396 -2.383 3.186 1.00 0.54 H new ATOM 0 HB3 PHE A 77 -5.966 -2.568 2.430 1.00 0.54 H new ATOM 0 HD1 PHE A 77 -6.376 -4.624 0.915 1.00 1.62 H new ATOM 0 HD2 PHE A 77 -2.947 -4.232 3.488 1.00 2.10 H new ATOM 0 HE1 PHE A 77 -6.019 -7.078 0.816 1.00 1.68 H new ATOM 0 HE2 PHE A 77 -2.586 -6.685 3.387 1.00 2.01 H new ATOM 0 HZ PHE A 77 -4.131 -8.117 2.058 1.00 1.04 H new ATOM 1251 N VAL A 78 -4.484 -2.613 -1.260 1.00 0.45 N ATOM 1252 CA VAL A 78 -5.078 -3.092 -2.512 1.00 0.48 C ATOM 1253 C VAL A 78 -4.981 -4.616 -2.495 1.00 0.81 C ATOM 1254 O VAL A 78 -3.993 -5.187 -2.025 1.00 1.17 O ATOM 1255 CB VAL A 78 -4.393 -2.485 -3.762 1.00 0.53 C ATOM 1256 CG1 VAL A 78 -5.091 -2.900 -5.068 1.00 0.92 C ATOM 1257 CG2 VAL A 78 -4.418 -0.944 -3.714 1.00 1.05 C ATOM 0 H VAL A 78 -3.467 -2.545 -1.293 1.00 0.45 H new ATOM 0 HA VAL A 78 -6.118 -2.773 -2.578 1.00 0.48 H new ATOM 0 HB VAL A 78 -3.371 -2.863 -3.749 1.00 0.53 H new ATOM 0 HG11 VAL A 78 -4.574 -2.450 -5.916 1.00 0.92 H new ATOM 0 HG12 VAL A 78 -5.068 -3.986 -5.164 1.00 0.92 H new ATOM 0 HG13 VAL A 78 -6.126 -2.559 -5.051 1.00 0.92 H new ATOM 0 HG21 VAL A 78 -3.931 -0.544 -4.603 1.00 1.05 H new ATOM 0 HG22 VAL A 78 -5.451 -0.598 -3.680 1.00 1.05 H new ATOM 0 HG23 VAL A 78 -3.890 -0.599 -2.825 1.00 1.05 H new ATOM 1267 N SER A 79 -6.037 -5.281 -2.962 1.00 0.49 N ATOM 1268 CA SER A 79 -6.028 -6.724 -3.166 1.00 0.55 C ATOM 1269 C SER A 79 -5.057 -7.185 -4.281 1.00 0.87 C ATOM 1270 O SER A 79 -4.308 -6.408 -4.883 1.00 1.82 O ATOM 1271 CB SER A 79 -7.455 -7.231 -3.400 1.00 1.01 C ATOM 1272 OG SER A 79 -7.876 -6.955 -4.718 1.00 2.67 O ATOM 0 H SER A 79 -6.920 -4.833 -3.208 1.00 0.49 H new ATOM 0 HA SER A 79 -5.641 -7.175 -2.252 1.00 0.55 H new ATOM 0 HB2 SER A 79 -7.499 -8.305 -3.217 1.00 1.01 H new ATOM 0 HB3 SER A 79 -8.134 -6.759 -2.690 1.00 1.01 H new ATOM 0 HG SER A 79 -8.799 -7.262 -4.838 1.00 2.67 H new ATOM 1278 N VAL A 80 -5.068 -8.496 -4.539 1.00 0.61 N ATOM 1279 CA VAL A 80 -4.310 -9.180 -5.599 1.00 0.71 C ATOM 1280 C VAL A 80 -5.226 -10.109 -6.403 1.00 1.23 C ATOM 1281 O VAL A 80 -5.200 -10.046 -7.630 1.00 1.50 O ATOM 1282 CB VAL A 80 -3.112 -9.956 -5.005 1.00 1.17 C ATOM 1283 CG1 VAL A 80 -2.518 -10.984 -5.981 1.00 2.60 C ATOM 1284 CG2 VAL A 80 -1.979 -8.993 -4.599 1.00 1.49 C ATOM 0 H VAL A 80 -5.632 -9.144 -3.989 1.00 0.61 H new ATOM 0 HA VAL A 80 -3.914 -8.426 -6.279 1.00 0.71 H new ATOM 0 HB VAL A 80 -3.510 -10.482 -4.137 1.00 1.17 H new ATOM 0 HG11 VAL A 80 -1.681 -11.496 -5.506 1.00 2.60 H new ATOM 0 HG12 VAL A 80 -3.282 -11.713 -6.252 1.00 2.60 H new ATOM 0 HG13 VAL A 80 -2.169 -10.474 -6.879 1.00 2.60 H new ATOM 0 HG21 VAL A 80 -1.148 -9.563 -4.184 1.00 1.49 H new ATOM 0 HG22 VAL A 80 -1.639 -8.441 -5.475 1.00 1.49 H new ATOM 0 HG23 VAL A 80 -2.348 -8.292 -3.850 1.00 1.49 H new ATOM 1294 N ASP A 81 -6.035 -10.953 -5.737 1.00 0.76 N ATOM 1295 CA ASP A 81 -7.022 -11.813 -6.406 1.00 0.85 C ATOM 1296 C ASP A 81 -8.476 -11.410 -6.063 1.00 1.01 C ATOM 1297 O ASP A 81 -8.979 -11.738 -4.979 1.00 1.24 O ATOM 1298 CB ASP A 81 -6.771 -13.297 -6.099 1.00 1.23 C ATOM 1299 CG ASP A 81 -7.694 -14.204 -6.928 1.00 2.17 C ATOM 1300 OD1 ASP A 81 -8.417 -13.694 -7.814 1.00 3.39 O ATOM 1301 OD2 ASP A 81 -7.642 -15.443 -6.771 1.00 2.53 O ATOM 0 H ASP A 81 -6.021 -11.056 -4.722 1.00 0.76 H new ATOM 0 HA ASP A 81 -6.894 -11.665 -7.478 1.00 0.85 H new ATOM 0 HB2 ASP A 81 -5.730 -13.543 -6.311 1.00 1.23 H new ATOM 0 HB3 ASP A 81 -6.933 -13.483 -5.037 1.00 1.23 H new ATOM 1306 N PRO A 82 -9.185 -10.731 -6.988 1.00 0.89 N ATOM 1307 CA PRO A 82 -10.562 -10.311 -6.777 1.00 1.10 C ATOM 1308 C PRO A 82 -11.591 -11.434 -6.981 1.00 1.30 C ATOM 1309 O PRO A 82 -12.756 -11.202 -6.658 1.00 1.66 O ATOM 1310 CB PRO A 82 -10.771 -9.157 -7.754 1.00 1.46 C ATOM 1311 CG PRO A 82 -9.878 -9.527 -8.935 1.00 1.46 C ATOM 1312 CD PRO A 82 -8.691 -10.207 -8.256 1.00 1.10 C ATOM 0 HA PRO A 82 -10.720 -10.014 -5.740 1.00 1.10 H new ATOM 0 HB2 PRO A 82 -11.815 -9.068 -8.053 1.00 1.46 H new ATOM 0 HB3 PRO A 82 -10.482 -8.202 -7.315 1.00 1.46 H new ATOM 0 HG2 PRO A 82 -10.384 -10.196 -9.632 1.00 1.46 H new ATOM 0 HG3 PRO A 82 -9.571 -8.648 -9.502 1.00 1.46 H new ATOM 0 HD2 PRO A 82 -8.294 -11.009 -8.879 1.00 1.10 H new ATOM 0 HD3 PRO A 82 -7.879 -9.498 -8.093 1.00 1.10 H new ATOM 1320 N GLU A 83 -11.219 -12.648 -7.434 1.00 0.96 N ATOM 1321 CA GLU A 83 -12.164 -13.789 -7.483 1.00 1.17 C ATOM 1322 C GLU A 83 -12.588 -14.278 -6.085 1.00 1.48 C ATOM 1323 O GLU A 83 -13.428 -15.180 -5.977 1.00 1.90 O ATOM 1324 CB GLU A 83 -11.585 -14.966 -8.294 1.00 1.26 C ATOM 1325 CG GLU A 83 -11.823 -14.841 -9.803 1.00 1.85 C ATOM 1326 CD GLU A 83 -10.942 -15.831 -10.560 1.00 2.18 C ATOM 1327 OE1 GLU A 83 -10.975 -17.052 -10.288 1.00 2.88 O ATOM 1328 OE2 GLU A 83 -10.041 -15.348 -11.278 1.00 2.66 O ATOM 0 H GLU A 83 -10.281 -12.866 -7.769 1.00 0.96 H new ATOM 0 HA GLU A 83 -13.056 -13.413 -7.984 1.00 1.17 H new ATOM 0 HB2 GLU A 83 -10.513 -15.034 -8.107 1.00 1.26 H new ATOM 0 HB3 GLU A 83 -12.030 -15.896 -7.939 1.00 1.26 H new ATOM 0 HG2 GLU A 83 -12.872 -15.030 -10.030 1.00 1.85 H new ATOM 0 HG3 GLU A 83 -11.604 -13.825 -10.130 1.00 1.85 H new ATOM 1335 N ARG A 84 -12.035 -13.694 -5.010 1.00 1.36 N ATOM 1336 CA ARG A 84 -12.430 -14.040 -3.643 1.00 1.75 C ATOM 1337 C ARG A 84 -12.114 -13.022 -2.546 1.00 1.81 C ATOM 1338 O ARG A 84 -12.593 -13.219 -1.430 1.00 2.04 O ATOM 1339 CB ARG A 84 -11.885 -15.439 -3.297 1.00 2.27 C ATOM 1340 CG ARG A 84 -12.996 -16.292 -2.672 1.00 3.36 C ATOM 1341 CD ARG A 84 -12.660 -17.776 -2.773 1.00 3.52 C ATOM 1342 NE ARG A 84 -13.755 -18.579 -2.208 1.00 4.49 N ATOM 1343 CZ ARG A 84 -13.919 -19.888 -2.338 1.00 4.97 C ATOM 1344 NH1 ARG A 84 -13.074 -20.628 -3.027 1.00 5.09 N ATOM 1345 NH2 ARG A 84 -14.946 -20.479 -1.759 1.00 6.16 N ATOM 0 H ARG A 84 -11.311 -12.978 -5.066 1.00 1.36 H new ATOM 0 HA ARG A 84 -13.520 -14.032 -3.654 1.00 1.75 H new ATOM 0 HB2 ARG A 84 -11.505 -15.923 -4.196 1.00 2.27 H new ATOM 0 HB3 ARG A 84 -11.048 -15.352 -2.604 1.00 2.27 H new ATOM 0 HG2 ARG A 84 -13.129 -16.015 -1.626 1.00 3.36 H new ATOM 0 HG3 ARG A 84 -13.941 -16.093 -3.177 1.00 3.36 H new ATOM 0 HD2 ARG A 84 -12.497 -18.050 -3.815 1.00 3.52 H new ATOM 0 HD3 ARG A 84 -11.732 -17.984 -2.240 1.00 3.52 H new ATOM 0 HE ARG A 84 -14.457 -18.080 -1.662 1.00 4.49 H new ATOM 0 HH11 ARG A 84 -12.268 -20.196 -3.478 1.00 5.09 H new ATOM 0 HH12 ARG A 84 -13.226 -21.633 -3.110 1.00 5.09 H new ATOM 0 HH21 ARG A 84 -15.610 -19.929 -1.214 1.00 6.16 H new ATOM 0 HH22 ARG A 84 -15.076 -21.486 -1.856 1.00 6.16 H new ATOM 1359 N ASP A 85 -11.374 -11.946 -2.819 1.00 1.23 N ATOM 1360 CA ASP A 85 -11.186 -10.848 -1.863 1.00 1.19 C ATOM 1361 C ASP A 85 -12.063 -9.648 -2.267 1.00 1.34 C ATOM 1362 O ASP A 85 -11.642 -8.867 -3.120 1.00 1.53 O ATOM 1363 CB ASP A 85 -9.687 -10.483 -1.791 1.00 1.22 C ATOM 1364 CG ASP A 85 -9.281 -9.771 -0.505 1.00 1.79 C ATOM 1365 OD1 ASP A 85 -10.138 -9.592 0.391 1.00 3.09 O ATOM 1366 OD2 ASP A 85 -8.071 -9.477 -0.371 1.00 2.04 O ATOM 0 H ASP A 85 -10.889 -11.809 -3.706 1.00 1.23 H new ATOM 0 HA ASP A 85 -11.500 -11.156 -0.866 1.00 1.19 H new ATOM 0 HB2 ASP A 85 -9.097 -11.394 -1.891 1.00 1.22 H new ATOM 0 HB3 ASP A 85 -9.438 -9.847 -2.640 1.00 1.22 H new ATOM 1371 N PRO A 86 -13.297 -9.489 -1.748 1.00 1.15 N ATOM 1372 CA PRO A 86 -14.141 -8.334 -2.050 1.00 1.23 C ATOM 1373 C PRO A 86 -13.688 -7.111 -1.229 1.00 1.27 C ATOM 1374 O PRO A 86 -13.196 -7.292 -0.111 1.00 1.07 O ATOM 1375 CB PRO A 86 -15.566 -8.774 -1.705 1.00 1.51 C ATOM 1376 CG PRO A 86 -15.346 -9.755 -0.557 1.00 1.50 C ATOM 1377 CD PRO A 86 -14.026 -10.437 -0.919 1.00 1.32 C ATOM 0 HA PRO A 86 -14.076 -8.027 -3.094 1.00 1.23 H new ATOM 0 HB2 PRO A 86 -16.188 -7.931 -1.404 1.00 1.51 H new ATOM 0 HB3 PRO A 86 -16.060 -9.248 -2.553 1.00 1.51 H new ATOM 0 HG2 PRO A 86 -15.283 -9.242 0.403 1.00 1.50 H new ATOM 0 HG3 PRO A 86 -16.162 -10.474 -0.481 1.00 1.50 H new ATOM 0 HD2 PRO A 86 -13.458 -10.688 -0.023 1.00 1.32 H new ATOM 0 HD3 PRO A 86 -14.203 -11.369 -1.456 1.00 1.32 H new ATOM 1385 N PRO A 87 -13.877 -5.871 -1.730 1.00 0.91 N ATOM 1386 CA PRO A 87 -13.266 -4.664 -1.166 1.00 0.94 C ATOM 1387 C PRO A 87 -13.540 -4.492 0.329 1.00 1.20 C ATOM 1388 O PRO A 87 -12.641 -4.112 1.067 1.00 1.03 O ATOM 1389 CB PRO A 87 -13.824 -3.482 -1.972 1.00 1.14 C ATOM 1390 CG PRO A 87 -15.014 -4.055 -2.740 1.00 1.22 C ATOM 1391 CD PRO A 87 -14.655 -5.527 -2.909 1.00 1.03 C ATOM 0 HA PRO A 87 -12.181 -4.730 -1.243 1.00 0.94 H new ATOM 0 HB2 PRO A 87 -14.132 -2.668 -1.316 1.00 1.14 H new ATOM 0 HB3 PRO A 87 -13.073 -3.078 -2.651 1.00 1.14 H new ATOM 0 HG2 PRO A 87 -15.945 -3.930 -2.188 1.00 1.22 H new ATOM 0 HG3 PRO A 87 -15.146 -3.561 -3.703 1.00 1.22 H new ATOM 0 HD2 PRO A 87 -15.550 -6.144 -2.983 1.00 1.03 H new ATOM 0 HD3 PRO A 87 -14.080 -5.689 -3.821 1.00 1.03 H new ATOM 1399 N GLU A 88 -14.760 -4.815 0.768 1.00 1.13 N ATOM 1400 CA GLU A 88 -15.211 -4.686 2.150 1.00 1.29 C ATOM 1401 C GLU A 88 -14.540 -5.693 3.099 1.00 1.32 C ATOM 1402 O GLU A 88 -14.238 -5.334 4.230 1.00 1.47 O ATOM 1403 CB GLU A 88 -16.747 -4.799 2.115 1.00 1.79 C ATOM 1404 CG GLU A 88 -17.468 -4.403 3.409 1.00 2.28 C ATOM 1405 CD GLU A 88 -17.772 -5.588 4.322 1.00 2.74 C ATOM 1406 OE1 GLU A 88 -18.252 -6.633 3.831 1.00 2.98 O ATOM 1407 OE2 GLU A 88 -17.554 -5.491 5.547 1.00 3.89 O ATOM 0 H GLU A 88 -15.481 -5.185 0.149 1.00 1.13 H new ATOM 0 HA GLU A 88 -14.914 -3.723 2.566 1.00 1.29 H new ATOM 0 HB2 GLU A 88 -17.121 -4.173 1.305 1.00 1.79 H new ATOM 0 HB3 GLU A 88 -17.013 -5.828 1.872 1.00 1.79 H new ATOM 0 HG2 GLU A 88 -16.855 -3.684 3.952 1.00 2.28 H new ATOM 0 HG3 GLU A 88 -18.401 -3.900 3.156 1.00 2.28 H new ATOM 1414 N VAL A 89 -14.222 -6.915 2.652 1.00 1.08 N ATOM 1415 CA VAL A 89 -13.472 -7.892 3.470 1.00 1.07 C ATOM 1416 C VAL A 89 -12.000 -7.478 3.594 1.00 1.15 C ATOM 1417 O VAL A 89 -11.426 -7.576 4.680 1.00 1.00 O ATOM 1418 CB VAL A 89 -13.623 -9.331 2.926 1.00 1.21 C ATOM 1419 CG1 VAL A 89 -12.725 -10.352 3.647 1.00 1.30 C ATOM 1420 CG2 VAL A 89 -15.081 -9.798 3.100 1.00 1.63 C ATOM 0 H VAL A 89 -14.472 -7.257 1.724 1.00 1.08 H new ATOM 0 HA VAL A 89 -13.903 -7.892 4.471 1.00 1.07 H new ATOM 0 HB VAL A 89 -13.325 -9.291 1.878 1.00 1.21 H new ATOM 0 HG11 VAL A 89 -12.880 -11.341 3.216 1.00 1.30 H new ATOM 0 HG12 VAL A 89 -11.680 -10.065 3.529 1.00 1.30 H new ATOM 0 HG13 VAL A 89 -12.978 -10.374 4.707 1.00 1.30 H new ATOM 0 HG21 VAL A 89 -15.186 -10.813 2.716 1.00 1.63 H new ATOM 0 HG22 VAL A 89 -15.345 -9.781 4.157 1.00 1.63 H new ATOM 0 HG23 VAL A 89 -15.745 -9.131 2.550 1.00 1.63 H new ATOM 1430 N ALA A 90 -11.409 -6.949 2.511 1.00 0.81 N ATOM 1431 CA ALA A 90 -10.092 -6.319 2.557 1.00 0.74 C ATOM 1432 C ALA A 90 -10.072 -5.076 3.472 1.00 0.96 C ATOM 1433 O ALA A 90 -9.078 -4.848 4.162 1.00 0.99 O ATOM 1434 CB ALA A 90 -9.638 -6.051 1.110 1.00 0.69 C ATOM 0 H ALA A 90 -11.834 -6.949 1.584 1.00 0.81 H new ATOM 0 HA ALA A 90 -9.366 -6.988 3.019 1.00 0.74 H new ATOM 0 HB1 ALA A 90 -8.655 -5.580 1.118 1.00 0.69 H new ATOM 0 HB2 ALA A 90 -9.584 -6.994 0.565 1.00 0.69 H new ATOM 0 HB3 ALA A 90 -10.353 -5.390 0.621 1.00 0.69 H new ATOM 1440 N ASP A 91 -11.168 -4.314 3.554 1.00 0.71 N ATOM 1441 CA ASP A 91 -11.287 -3.097 4.370 1.00 0.72 C ATOM 1442 C ASP A 91 -11.311 -3.388 5.878 1.00 1.06 C ATOM 1443 O ASP A 91 -10.592 -2.718 6.627 1.00 1.13 O ATOM 1444 CB ASP A 91 -12.524 -2.298 3.923 1.00 0.74 C ATOM 1445 CG ASP A 91 -12.550 -0.905 4.545 1.00 0.89 C ATOM 1446 OD1 ASP A 91 -11.623 -0.110 4.268 1.00 1.81 O ATOM 1447 OD2 ASP A 91 -13.467 -0.579 5.331 1.00 1.66 O ATOM 0 H ASP A 91 -12.022 -4.532 3.041 1.00 0.71 H new ATOM 0 HA ASP A 91 -10.394 -2.494 4.205 1.00 0.72 H new ATOM 0 HB2 ASP A 91 -12.529 -2.212 2.836 1.00 0.74 H new ATOM 0 HB3 ASP A 91 -13.428 -2.839 4.204 1.00 0.74 H new ATOM 1452 N ARG A 92 -12.040 -4.433 6.309 1.00 0.85 N ATOM 1453 CA ARG A 92 -11.966 -4.969 7.679 1.00 0.86 C ATOM 1454 C ARG A 92 -10.508 -5.234 8.061 1.00 1.33 C ATOM 1455 O ARG A 92 -10.040 -4.836 9.125 1.00 1.66 O ATOM 1456 CB ARG A 92 -12.727 -6.305 7.794 1.00 0.92 C ATOM 1457 CG ARG A 92 -14.222 -6.199 7.499 1.00 1.29 C ATOM 1458 CD ARG A 92 -14.882 -7.585 7.428 1.00 1.29 C ATOM 1459 NE ARG A 92 -16.228 -7.514 6.848 1.00 2.24 N ATOM 1460 CZ ARG A 92 -17.156 -8.456 6.788 1.00 3.25 C ATOM 1461 NH1 ARG A 92 -17.042 -9.615 7.406 1.00 3.64 N ATOM 1462 NH2 ARG A 92 -18.233 -8.220 6.082 1.00 4.44 N ATOM 0 H ARG A 92 -12.701 -4.932 5.713 1.00 0.85 H new ATOM 0 HA ARG A 92 -12.414 -4.229 8.342 1.00 0.86 H new ATOM 0 HB2 ARG A 92 -12.282 -7.024 7.107 1.00 0.92 H new ATOM 0 HB3 ARG A 92 -12.593 -6.701 8.801 1.00 0.92 H new ATOM 0 HG2 ARG A 92 -14.705 -5.604 8.274 1.00 1.29 H new ATOM 0 HG3 ARG A 92 -14.371 -5.675 6.555 1.00 1.29 H new ATOM 0 HD2 ARG A 92 -14.262 -8.253 6.830 1.00 1.29 H new ATOM 0 HD3 ARG A 92 -14.939 -8.013 8.429 1.00 1.29 H new ATOM 0 HE ARG A 92 -16.483 -6.617 6.435 1.00 2.24 H new ATOM 0 HH11 ARG A 92 -16.211 -9.817 7.961 1.00 3.64 H new ATOM 0 HH12 ARG A 92 -17.785 -10.309 7.329 1.00 3.64 H new ATOM 0 HH21 ARG A 92 -18.340 -7.329 5.597 1.00 4.44 H new ATOM 0 HH22 ARG A 92 -18.965 -8.927 6.017 1.00 4.44 H new ATOM 1476 N TYR A 93 -9.791 -5.914 7.173 1.00 0.81 N ATOM 1477 CA TYR A 93 -8.403 -6.343 7.379 1.00 0.79 C ATOM 1478 C TYR A 93 -7.416 -5.168 7.474 1.00 1.18 C ATOM 1479 O TYR A 93 -6.550 -5.150 8.349 1.00 1.40 O ATOM 1480 CB TYR A 93 -8.018 -7.305 6.245 1.00 0.82 C ATOM 1481 CG TYR A 93 -7.169 -8.488 6.666 1.00 0.99 C ATOM 1482 CD1 TYR A 93 -5.837 -8.309 7.094 1.00 1.71 C ATOM 1483 CD2 TYR A 93 -7.718 -9.780 6.597 1.00 2.20 C ATOM 1484 CE1 TYR A 93 -5.027 -9.434 7.367 1.00 1.76 C ATOM 1485 CE2 TYR A 93 -6.931 -10.903 6.903 1.00 2.69 C ATOM 1486 CZ TYR A 93 -5.574 -10.739 7.257 1.00 1.88 C ATOM 1487 OH TYR A 93 -4.825 -11.856 7.469 1.00 2.50 O ATOM 0 H TYR A 93 -10.164 -6.192 6.265 1.00 0.81 H new ATOM 0 HA TYR A 93 -8.340 -6.850 8.342 1.00 0.79 H new ATOM 0 HB2 TYR A 93 -8.931 -7.679 5.781 1.00 0.82 H new ATOM 0 HB3 TYR A 93 -7.479 -6.744 5.481 1.00 0.82 H new ATOM 0 HD1 TYR A 93 -5.437 -7.313 7.213 1.00 1.71 H new ATOM 0 HD2 TYR A 93 -8.750 -9.910 6.307 1.00 2.20 H new ATOM 0 HE1 TYR A 93 -3.996 -9.301 7.658 1.00 1.76 H new ATOM 0 HE2 TYR A 93 -7.364 -11.892 6.867 1.00 2.69 H new ATOM 0 HH TYR A 93 -3.958 -11.758 7.022 1.00 2.50 H new ATOM 1497 N ALA A 94 -7.566 -4.152 6.623 1.00 0.76 N ATOM 1498 CA ALA A 94 -6.745 -2.945 6.667 1.00 0.78 C ATOM 1499 C ALA A 94 -6.979 -2.140 7.961 1.00 0.98 C ATOM 1500 O ALA A 94 -6.036 -1.819 8.685 1.00 1.08 O ATOM 1501 CB ALA A 94 -7.044 -2.152 5.388 1.00 0.82 C ATOM 0 H ALA A 94 -8.265 -4.145 5.880 1.00 0.76 H new ATOM 0 HA ALA A 94 -5.684 -3.193 6.696 1.00 0.78 H new ATOM 0 HB1 ALA A 94 -6.450 -1.238 5.379 1.00 0.82 H new ATOM 0 HB2 ALA A 94 -6.792 -2.757 4.517 1.00 0.82 H new ATOM 0 HB3 ALA A 94 -8.103 -1.896 5.358 1.00 0.82 H new ATOM 1507 N LYS A 95 -8.246 -1.873 8.296 1.00 0.89 N ATOM 1508 CA LYS A 95 -8.624 -1.174 9.531 1.00 1.04 C ATOM 1509 C LYS A 95 -8.440 -1.970 10.829 1.00 1.13 C ATOM 1510 O LYS A 95 -8.388 -1.337 11.886 1.00 1.30 O ATOM 1511 CB LYS A 95 -10.024 -0.555 9.416 1.00 1.45 C ATOM 1512 CG LYS A 95 -9.914 0.771 8.651 1.00 2.14 C ATOM 1513 CD LYS A 95 -11.173 1.634 8.782 1.00 1.51 C ATOM 1514 CE LYS A 95 -12.285 1.133 7.866 1.00 1.22 C ATOM 1515 NZ LYS A 95 -11.965 1.437 6.457 1.00 1.37 N ATOM 0 H LYS A 95 -9.042 -2.137 7.716 1.00 0.89 H new ATOM 0 HA LYS A 95 -7.896 -0.368 9.626 1.00 1.04 H new ATOM 0 HB2 LYS A 95 -10.697 -1.237 8.896 1.00 1.45 H new ATOM 0 HB3 LYS A 95 -10.445 -0.386 10.407 1.00 1.45 H new ATOM 0 HG2 LYS A 95 -9.055 1.330 9.022 1.00 2.14 H new ATOM 0 HG3 LYS A 95 -9.728 0.564 7.597 1.00 2.14 H new ATOM 0 HD2 LYS A 95 -11.518 1.623 9.816 1.00 1.51 H new ATOM 0 HD3 LYS A 95 -10.935 2.669 8.536 1.00 1.51 H new ATOM 0 HE2 LYS A 95 -12.413 0.058 7.993 1.00 1.22 H new ATOM 0 HE3 LYS A 95 -13.230 1.601 8.140 1.00 1.22 H new ATOM 0 HZ1 LYS A 95 -12.831 1.378 5.884 1.00 1.37 H new ATOM 0 HZ2 LYS A 95 -11.570 2.397 6.390 1.00 1.37 H new ATOM 0 HZ3 LYS A 95 -11.268 0.751 6.103 1.00 1.37 H new ATOM 1529 N ALA A 96 -8.274 -3.299 10.782 1.00 0.93 N ATOM 1530 CA ALA A 96 -7.932 -4.102 11.965 1.00 0.98 C ATOM 1531 C ALA A 96 -6.637 -3.609 12.624 1.00 1.16 C ATOM 1532 O ALA A 96 -6.463 -3.740 13.834 1.00 1.31 O ATOM 1533 CB ALA A 96 -7.798 -5.573 11.549 1.00 1.17 C ATOM 0 H ALA A 96 -8.372 -3.846 9.927 1.00 0.93 H new ATOM 0 HA ALA A 96 -8.729 -3.998 12.702 1.00 0.98 H new ATOM 0 HB1 ALA A 96 -7.544 -6.176 12.421 1.00 1.17 H new ATOM 0 HB2 ALA A 96 -8.743 -5.920 11.130 1.00 1.17 H new ATOM 0 HB3 ALA A 96 -7.012 -5.669 10.800 1.00 1.17 H new ATOM 1539 N PHE A 97 -5.753 -3.005 11.821 1.00 1.01 N ATOM 1540 CA PHE A 97 -4.536 -2.382 12.313 1.00 1.03 C ATOM 1541 C PHE A 97 -4.717 -0.961 12.839 1.00 2.03 C ATOM 1542 O PHE A 97 -4.108 -0.634 13.857 1.00 2.37 O ATOM 1543 CB PHE A 97 -3.473 -2.488 11.219 1.00 1.07 C ATOM 1544 CG PHE A 97 -2.859 -3.855 11.333 1.00 1.15 C ATOM 1545 CD1 PHE A 97 -1.896 -4.060 12.336 1.00 2.75 C ATOM 1546 CD2 PHE A 97 -3.385 -4.943 10.613 1.00 1.79 C ATOM 1547 CE1 PHE A 97 -1.467 -5.362 12.631 1.00 2.72 C ATOM 1548 CE2 PHE A 97 -2.940 -6.243 10.902 1.00 1.78 C ATOM 1549 CZ PHE A 97 -1.989 -6.450 11.916 1.00 1.30 C ATOM 0 H PHE A 97 -5.869 -2.939 10.810 1.00 1.01 H new ATOM 0 HA PHE A 97 -4.209 -2.924 13.201 1.00 1.03 H new ATOM 0 HB2 PHE A 97 -3.918 -2.346 10.234 1.00 1.07 H new ATOM 0 HB3 PHE A 97 -2.716 -1.714 11.341 1.00 1.07 H new ATOM 0 HD1 PHE A 97 -1.488 -3.219 12.877 1.00 2.75 H new ATOM 0 HD2 PHE A 97 -4.125 -4.780 9.844 1.00 1.79 H new ATOM 0 HE1 PHE A 97 -0.735 -5.527 13.408 1.00 2.72 H new ATOM 0 HE2 PHE A 97 -3.328 -7.083 10.346 1.00 1.78 H new ATOM 0 HZ PHE A 97 -1.658 -7.452 12.146 1.00 1.30 H new ATOM 1559 N HIS A 98 -5.532 -0.129 12.186 1.00 1.03 N ATOM 1560 CA HIS A 98 -5.782 1.262 12.583 1.00 1.05 C ATOM 1561 C HIS A 98 -6.889 1.893 11.701 1.00 1.28 C ATOM 1562 O HIS A 98 -6.855 1.669 10.493 1.00 1.42 O ATOM 1563 CB HIS A 98 -4.463 2.060 12.461 1.00 1.14 C ATOM 1564 CG HIS A 98 -4.582 3.473 12.960 1.00 1.71 C ATOM 1565 ND1 HIS A 98 -4.815 3.839 14.258 1.00 2.29 N flip ATOM 1566 CD2 HIS A 98 -4.645 4.615 12.195 1.00 2.43 C flip ATOM 1567 CE1 HIS A 98 -5.123 5.199 14.266 1.00 3.04 C flip ATOM 1568 NE2 HIS A 98 -4.998 5.627 13.006 1.00 3.21 N flip ATOM 0 H HIS A 98 -6.047 -0.407 11.351 1.00 1.03 H new ATOM 0 HA HIS A 98 -6.129 1.289 13.616 1.00 1.05 H new ATOM 0 HB2 HIS A 98 -3.682 1.547 13.022 1.00 1.14 H new ATOM 0 HB3 HIS A 98 -4.149 2.075 11.417 1.00 1.14 H new ATOM 0 HD2 HIS A 98 -4.447 4.685 11.136 1.00 2.43 H new ATOM 0 HE1 HIS A 98 -5.407 5.791 15.123 1.00 3.04 H new ATOM 0 HE2 HIS A 98 -5.150 6.589 12.702 1.00 3.21 H new ATOM 1577 N PRO A 99 -7.830 2.715 12.220 1.00 1.07 N ATOM 1578 CA PRO A 99 -8.939 3.282 11.436 1.00 1.22 C ATOM 1579 C PRO A 99 -8.579 4.281 10.314 1.00 1.48 C ATOM 1580 O PRO A 99 -9.471 4.666 9.564 1.00 1.53 O ATOM 1581 CB PRO A 99 -9.894 3.910 12.458 1.00 1.39 C ATOM 1582 CG PRO A 99 -9.020 4.152 13.685 1.00 1.27 C ATOM 1583 CD PRO A 99 -8.075 2.958 13.633 1.00 1.03 C ATOM 0 HA PRO A 99 -9.381 2.467 10.862 1.00 1.22 H new ATOM 0 HB2 PRO A 99 -10.322 4.840 12.084 1.00 1.39 H new ATOM 0 HB3 PRO A 99 -10.727 3.245 12.687 1.00 1.39 H new ATOM 0 HG2 PRO A 99 -8.485 5.100 13.626 1.00 1.27 H new ATOM 0 HG3 PRO A 99 -9.604 4.172 14.605 1.00 1.27 H new ATOM 0 HD2 PRO A 99 -7.145 3.170 14.161 1.00 1.03 H new ATOM 0 HD3 PRO A 99 -8.520 2.085 14.110 1.00 1.03 H new ATOM 1591 N SER A 100 -7.314 4.692 10.146 1.00 1.24 N ATOM 1592 CA SER A 100 -6.872 5.606 9.057 1.00 1.37 C ATOM 1593 C SER A 100 -6.432 4.838 7.783 1.00 1.36 C ATOM 1594 O SER A 100 -5.601 5.294 6.986 1.00 1.56 O ATOM 1595 CB SER A 100 -5.798 6.580 9.580 1.00 1.64 C ATOM 1596 OG SER A 100 -5.845 7.842 8.935 1.00 2.51 O ATOM 0 H SER A 100 -6.554 4.403 10.762 1.00 1.24 H new ATOM 0 HA SER A 100 -7.728 6.204 8.744 1.00 1.37 H new ATOM 0 HB2 SER A 100 -5.931 6.719 10.653 1.00 1.64 H new ATOM 0 HB3 SER A 100 -4.812 6.139 9.436 1.00 1.64 H new ATOM 0 HG SER A 100 -5.006 8.323 9.095 1.00 2.51 H new ATOM 1602 N PHE A 101 -6.958 3.618 7.641 1.00 1.08 N ATOM 1603 CA PHE A 101 -6.729 2.699 6.532 1.00 0.93 C ATOM 1604 C PHE A 101 -7.991 2.550 5.659 1.00 1.89 C ATOM 1605 O PHE A 101 -9.122 2.563 6.157 1.00 2.35 O ATOM 1606 CB PHE A 101 -6.292 1.328 7.088 1.00 0.92 C ATOM 1607 CG PHE A 101 -4.838 1.200 7.529 1.00 1.18 C ATOM 1608 CD1 PHE A 101 -4.316 1.999 8.567 1.00 2.37 C ATOM 1609 CD2 PHE A 101 -3.998 0.252 6.910 1.00 1.88 C ATOM 1610 CE1 PHE A 101 -2.965 1.882 8.951 1.00 2.54 C ATOM 1611 CE2 PHE A 101 -2.657 0.119 7.313 1.00 1.91 C ATOM 1612 CZ PHE A 101 -2.137 0.939 8.328 1.00 1.82 C ATOM 0 H PHE A 101 -7.591 3.227 8.339 1.00 1.08 H new ATOM 0 HA PHE A 101 -5.939 3.104 5.899 1.00 0.93 H new ATOM 0 HB2 PHE A 101 -6.928 1.088 7.940 1.00 0.92 H new ATOM 0 HB3 PHE A 101 -6.484 0.574 6.324 1.00 0.92 H new ATOM 0 HD1 PHE A 101 -4.957 2.707 9.072 1.00 2.37 H new ATOM 0 HD2 PHE A 101 -4.386 -0.376 6.122 1.00 1.88 H new ATOM 0 HE1 PHE A 101 -2.568 2.520 9.726 1.00 2.54 H new ATOM 0 HE2 PHE A 101 -2.024 -0.617 6.840 1.00 1.91 H new ATOM 0 HZ PHE A 101 -1.104 0.843 8.627 1.00 1.82 H new ATOM 1622 N LEU A 102 -7.789 2.326 4.356 1.00 0.83 N ATOM 1623 CA LEU A 102 -8.824 1.931 3.391 1.00 0.76 C ATOM 1624 C LEU A 102 -8.441 0.620 2.689 1.00 0.92 C ATOM 1625 O LEU A 102 -7.291 0.452 2.279 1.00 1.16 O ATOM 1626 CB LEU A 102 -8.995 3.087 2.386 1.00 0.79 C ATOM 1627 CG LEU A 102 -10.059 2.892 1.285 1.00 0.98 C ATOM 1628 CD1 LEU A 102 -11.476 2.730 1.853 1.00 1.13 C ATOM 1629 CD2 LEU A 102 -10.026 4.110 0.350 1.00 2.25 C ATOM 0 H LEU A 102 -6.868 2.418 3.928 1.00 0.83 H new ATOM 0 HA LEU A 102 -9.770 1.746 3.899 1.00 0.76 H new ATOM 0 HB2 LEU A 102 -9.243 3.990 2.944 1.00 0.79 H new ATOM 0 HB3 LEU A 102 -8.034 3.264 1.904 1.00 0.79 H new ATOM 0 HG LEU A 102 -9.820 1.973 0.749 1.00 0.98 H new ATOM 0 HD11 LEU A 102 -12.183 2.596 1.034 1.00 1.13 H new ATOM 0 HD12 LEU A 102 -11.509 1.858 2.507 1.00 1.13 H new ATOM 0 HD13 LEU A 102 -11.744 3.620 2.422 1.00 1.13 H new ATOM 0 HD21 LEU A 102 -10.773 3.987 -0.434 1.00 2.25 H new ATOM 0 HD22 LEU A 102 -10.244 5.013 0.921 1.00 2.25 H new ATOM 0 HD23 LEU A 102 -9.037 4.196 -0.101 1.00 2.25 H new ATOM 1641 N GLY A 103 -9.404 -0.287 2.521 1.00 0.67 N ATOM 1642 CA GLY A 103 -9.277 -1.500 1.703 1.00 0.64 C ATOM 1643 C GLY A 103 -9.928 -1.317 0.334 1.00 0.76 C ATOM 1644 O GLY A 103 -11.037 -0.790 0.238 1.00 1.01 O ATOM 0 H GLY A 103 -10.320 -0.198 2.961 1.00 0.67 H new ATOM 0 HA2 GLY A 103 -8.223 -1.747 1.577 1.00 0.64 H new ATOM 0 HA3 GLY A 103 -9.742 -2.340 2.220 1.00 0.64 H new ATOM 1648 N LEU A 104 -9.244 -1.782 -0.714 1.00 0.51 N ATOM 1649 CA LEU A 104 -9.698 -1.708 -2.105 1.00 0.50 C ATOM 1650 C LEU A 104 -9.512 -3.060 -2.804 1.00 1.03 C ATOM 1651 O LEU A 104 -8.446 -3.669 -2.786 1.00 1.28 O ATOM 1652 CB LEU A 104 -8.927 -0.603 -2.850 1.00 0.53 C ATOM 1653 CG LEU A 104 -9.110 0.836 -2.326 1.00 0.74 C ATOM 1654 CD1 LEU A 104 -8.223 1.787 -3.145 1.00 0.85 C ATOM 1655 CD2 LEU A 104 -10.564 1.320 -2.428 1.00 1.21 C ATOM 0 H LEU A 104 -8.334 -2.233 -0.616 1.00 0.51 H new ATOM 0 HA LEU A 104 -10.760 -1.463 -2.116 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -7.865 -0.846 -2.816 1.00 0.53 H new ATOM 0 HB3 LEU A 104 -9.226 -0.625 -3.898 1.00 0.53 H new ATOM 0 HG LEU A 104 -8.829 0.835 -1.273 1.00 0.74 H new ATOM 0 HD11 LEU A 104 -8.348 2.806 -2.779 1.00 0.85 H new ATOM 0 HD12 LEU A 104 -7.179 1.490 -3.042 1.00 0.85 H new ATOM 0 HD13 LEU A 104 -8.512 1.740 -4.195 1.00 0.85 H new ATOM 0 HD21 LEU A 104 -10.636 2.338 -2.046 1.00 1.21 H new ATOM 0 HD22 LEU A 104 -10.882 1.300 -3.470 1.00 1.21 H new ATOM 0 HD23 LEU A 104 -11.207 0.665 -1.840 1.00 1.21 H new ATOM 1667 N SER A 105 -10.568 -3.539 -3.447 1.00 0.50 N ATOM 1668 CA SER A 105 -10.522 -4.647 -4.397 1.00 0.52 C ATOM 1669 C SER A 105 -11.579 -4.406 -5.466 1.00 0.84 C ATOM 1670 O SER A 105 -12.625 -3.828 -5.158 1.00 1.15 O ATOM 1671 CB SER A 105 -10.792 -5.970 -3.686 1.00 0.62 C ATOM 1672 OG SER A 105 -10.542 -7.060 -4.557 1.00 0.86 O ATOM 0 H SER A 105 -11.506 -3.159 -3.320 1.00 0.50 H new ATOM 0 HA SER A 105 -9.533 -4.702 -4.851 1.00 0.52 H new ATOM 0 HB2 SER A 105 -10.160 -6.051 -2.802 1.00 0.62 H new ATOM 0 HB3 SER A 105 -11.826 -6.001 -3.342 1.00 0.62 H new ATOM 0 HG SER A 105 -11.098 -7.823 -4.294 1.00 0.86 H new ATOM 1678 N GLY A 106 -11.346 -4.850 -6.698 1.00 0.70 N ATOM 1679 CA GLY A 106 -12.222 -4.521 -7.813 1.00 0.91 C ATOM 1680 C GLY A 106 -12.036 -5.387 -9.042 1.00 0.94 C ATOM 1681 O GLY A 106 -11.473 -6.477 -8.977 1.00 0.99 O ATOM 0 H GLY A 106 -10.553 -5.441 -6.948 1.00 0.70 H new ATOM 0 HA2 GLY A 106 -13.257 -4.603 -7.481 1.00 0.91 H new ATOM 0 HA3 GLY A 106 -12.058 -3.480 -8.091 1.00 0.91 H new ATOM 1685 N SER A 107 -12.525 -4.879 -10.161 1.00 0.81 N ATOM 1686 CA SER A 107 -12.456 -5.542 -11.461 1.00 0.80 C ATOM 1687 C SER A 107 -11.000 -5.924 -11.828 1.00 0.89 C ATOM 1688 O SER A 107 -10.066 -5.180 -11.481 1.00 0.94 O ATOM 1689 CB SER A 107 -13.121 -4.635 -12.502 1.00 0.96 C ATOM 1690 OG SER A 107 -14.502 -4.481 -12.197 1.00 1.94 O ATOM 0 H SER A 107 -12.993 -3.973 -10.196 1.00 0.81 H new ATOM 0 HA SER A 107 -12.998 -6.487 -11.430 1.00 0.80 H new ATOM 0 HB2 SER A 107 -12.631 -3.661 -12.515 1.00 0.96 H new ATOM 0 HB3 SER A 107 -13.005 -5.063 -13.498 1.00 0.96 H new ATOM 0 HG SER A 107 -14.599 -3.946 -11.382 1.00 1.94 H new ATOM 1696 N PRO A 108 -10.768 -7.069 -12.508 1.00 0.80 N ATOM 1697 CA PRO A 108 -9.426 -7.628 -12.679 1.00 0.90 C ATOM 1698 C PRO A 108 -8.492 -6.689 -13.455 1.00 1.19 C ATOM 1699 O PRO A 108 -7.312 -6.592 -13.124 1.00 1.08 O ATOM 1700 CB PRO A 108 -9.611 -8.995 -13.347 1.00 1.10 C ATOM 1701 CG PRO A 108 -11.008 -8.949 -13.959 1.00 1.06 C ATOM 1702 CD PRO A 108 -11.770 -7.956 -13.082 1.00 0.96 C ATOM 0 HA PRO A 108 -8.926 -7.747 -11.718 1.00 0.90 H new ATOM 0 HB2 PRO A 108 -8.851 -9.168 -14.109 1.00 1.10 H new ATOM 0 HB3 PRO A 108 -9.524 -9.804 -12.622 1.00 1.10 H new ATOM 0 HG2 PRO A 108 -10.977 -8.620 -14.998 1.00 1.06 H new ATOM 0 HG3 PRO A 108 -11.479 -9.932 -13.950 1.00 1.06 H new ATOM 0 HD2 PRO A 108 -12.496 -7.394 -13.670 1.00 0.96 H new ATOM 0 HD3 PRO A 108 -12.325 -8.474 -12.300 1.00 0.96 H new ATOM 1710 N GLU A 109 -9.027 -5.940 -14.424 1.00 0.92 N ATOM 1711 CA GLU A 109 -8.337 -4.873 -15.154 1.00 1.03 C ATOM 1712 C GLU A 109 -8.028 -3.667 -14.256 1.00 1.17 C ATOM 1713 O GLU A 109 -6.944 -3.090 -14.346 1.00 1.41 O ATOM 1714 CB GLU A 109 -9.185 -4.369 -16.340 1.00 1.24 C ATOM 1715 CG GLU A 109 -9.501 -5.418 -17.416 1.00 1.71 C ATOM 1716 CD GLU A 109 -10.468 -6.513 -16.964 1.00 2.13 C ATOM 1717 OE1 GLU A 109 -11.233 -6.280 -15.996 1.00 2.59 O ATOM 1718 OE2 GLU A 109 -10.397 -7.605 -17.564 1.00 3.28 O ATOM 0 H GLU A 109 -9.991 -6.066 -14.733 1.00 0.92 H new ATOM 0 HA GLU A 109 -7.405 -5.310 -15.512 1.00 1.03 H new ATOM 0 HB2 GLU A 109 -10.125 -3.977 -15.952 1.00 1.24 H new ATOM 0 HB3 GLU A 109 -8.662 -3.536 -16.811 1.00 1.24 H new ATOM 0 HG2 GLU A 109 -9.923 -4.914 -18.285 1.00 1.71 H new ATOM 0 HG3 GLU A 109 -8.569 -5.883 -17.738 1.00 1.71 H new ATOM 1725 N ALA A 110 -8.950 -3.293 -13.363 1.00 0.82 N ATOM 1726 CA ALA A 110 -8.790 -2.164 -12.445 1.00 0.69 C ATOM 1727 C ALA A 110 -7.705 -2.456 -11.404 1.00 0.85 C ATOM 1728 O ALA A 110 -6.773 -1.662 -11.263 1.00 0.90 O ATOM 1729 CB ALA A 110 -10.141 -1.832 -11.795 1.00 0.68 C ATOM 0 H ALA A 110 -9.843 -3.775 -13.257 1.00 0.82 H new ATOM 0 HA ALA A 110 -8.460 -1.288 -13.004 1.00 0.69 H new ATOM 0 HB1 ALA A 110 -10.019 -0.991 -11.112 1.00 0.68 H new ATOM 0 HB2 ALA A 110 -10.862 -1.569 -12.569 1.00 0.68 H new ATOM 0 HB3 ALA A 110 -10.502 -2.699 -11.242 1.00 0.68 H new ATOM 1735 N VAL A 111 -7.723 -3.634 -10.761 1.00 0.66 N ATOM 1736 CA VAL A 111 -6.574 -4.025 -9.912 1.00 0.72 C ATOM 1737 C VAL A 111 -5.267 -4.101 -10.730 1.00 1.09 C ATOM 1738 O VAL A 111 -4.184 -3.891 -10.181 1.00 1.00 O ATOM 1739 CB VAL A 111 -6.777 -5.319 -9.090 1.00 0.91 C ATOM 1740 CG1 VAL A 111 -7.995 -5.218 -8.159 1.00 2.58 C ATOM 1741 CG2 VAL A 111 -6.902 -6.583 -9.946 1.00 2.08 C ATOM 0 H VAL A 111 -8.484 -4.312 -10.804 1.00 0.66 H new ATOM 0 HA VAL A 111 -6.496 -3.224 -9.176 1.00 0.72 H new ATOM 0 HB VAL A 111 -5.867 -5.414 -8.497 1.00 0.91 H new ATOM 0 HG11 VAL A 111 -8.103 -6.147 -7.599 1.00 2.58 H new ATOM 0 HG12 VAL A 111 -7.854 -4.390 -7.464 1.00 2.58 H new ATOM 0 HG13 VAL A 111 -8.893 -5.045 -8.752 1.00 2.58 H new ATOM 0 HG21 VAL A 111 -7.042 -7.449 -9.298 1.00 2.08 H new ATOM 0 HG22 VAL A 111 -7.758 -6.487 -10.614 1.00 2.08 H new ATOM 0 HG23 VAL A 111 -5.995 -6.714 -10.536 1.00 2.08 H new ATOM 1751 N ARG A 112 -5.351 -4.359 -12.046 1.00 0.79 N ATOM 1752 CA ARG A 112 -4.197 -4.332 -12.946 1.00 0.84 C ATOM 1753 C ARG A 112 -3.657 -2.918 -13.235 1.00 1.17 C ATOM 1754 O ARG A 112 -2.431 -2.805 -13.306 1.00 1.26 O ATOM 1755 CB ARG A 112 -4.489 -5.108 -14.245 1.00 0.90 C ATOM 1756 CG ARG A 112 -3.223 -5.750 -14.820 1.00 1.68 C ATOM 1757 CD ARG A 112 -2.795 -6.989 -14.009 1.00 3.14 C ATOM 1758 NE ARG A 112 -1.461 -7.485 -14.387 1.00 4.32 N ATOM 1759 CZ ARG A 112 -1.001 -8.726 -14.258 1.00 5.62 C ATOM 1760 NH1 ARG A 112 -1.755 -9.733 -13.878 1.00 6.22 N ATOM 1761 NH2 ARG A 112 0.267 -8.968 -14.495 1.00 6.90 N ATOM 0 H ARG A 112 -6.227 -4.593 -12.513 1.00 0.79 H new ATOM 0 HA ARG A 112 -3.393 -4.839 -12.413 1.00 0.84 H new ATOM 0 HB2 ARG A 112 -5.231 -5.881 -14.047 1.00 0.90 H new ATOM 0 HB3 ARG A 112 -4.921 -4.432 -14.983 1.00 0.90 H new ATOM 0 HG2 ARG A 112 -3.399 -6.036 -15.857 1.00 1.68 H new ATOM 0 HG3 ARG A 112 -2.414 -5.020 -14.824 1.00 1.68 H new ATOM 0 HD2 ARG A 112 -2.798 -6.742 -12.947 1.00 3.14 H new ATOM 0 HD3 ARG A 112 -3.527 -7.783 -14.154 1.00 3.14 H new ATOM 0 HE ARG A 112 -0.820 -6.802 -14.792 1.00 4.32 H new ATOM 0 HH11 ARG A 112 -2.741 -9.580 -13.667 1.00 6.22 H new ATOM 0 HH12 ARG A 112 -1.354 -10.667 -13.794 1.00 6.22 H new ATOM 0 HH21 ARG A 112 0.888 -8.208 -14.775 1.00 6.90 H new ATOM 0 HH22 ARG A 112 0.632 -9.916 -14.399 1.00 6.90 H new ATOM 1775 N GLU A 113 -4.494 -1.875 -13.352 1.00 0.88 N ATOM 1776 CA GLU A 113 -4.037 -0.461 -13.394 1.00 1.04 C ATOM 1777 C GLU A 113 -3.055 -0.199 -12.244 1.00 1.42 C ATOM 1778 O GLU A 113 -1.889 0.130 -12.469 1.00 1.50 O ATOM 1779 CB GLU A 113 -5.170 0.591 -13.240 1.00 1.41 C ATOM 1780 CG GLU A 113 -5.899 1.047 -14.511 1.00 1.72 C ATOM 1781 CD GLU A 113 -6.706 2.343 -14.271 1.00 3.45 C ATOM 1782 OE1 GLU A 113 -6.180 3.313 -13.667 1.00 4.74 O ATOM 1783 OE2 GLU A 113 -7.884 2.413 -14.676 1.00 4.46 O ATOM 0 H GLU A 113 -5.506 -1.979 -13.421 1.00 0.88 H new ATOM 0 HA GLU A 113 -3.590 -0.345 -14.381 1.00 1.04 H new ATOM 0 HB2 GLU A 113 -5.914 0.185 -12.555 1.00 1.41 H new ATOM 0 HB3 GLU A 113 -4.745 1.474 -12.762 1.00 1.41 H new ATOM 0 HG2 GLU A 113 -5.174 1.212 -15.308 1.00 1.72 H new ATOM 0 HG3 GLU A 113 -6.570 0.257 -14.849 1.00 1.72 H new ATOM 1790 N ALA A 114 -3.530 -0.386 -11.007 1.00 0.99 N ATOM 1791 CA ALA A 114 -2.770 -0.081 -9.800 1.00 1.01 C ATOM 1792 C ALA A 114 -1.469 -0.888 -9.766 1.00 1.18 C ATOM 1793 O ALA A 114 -0.379 -0.331 -9.654 1.00 1.23 O ATOM 1794 CB ALA A 114 -3.679 -0.341 -8.589 1.00 0.98 C ATOM 0 H ALA A 114 -4.462 -0.757 -10.819 1.00 0.99 H new ATOM 0 HA ALA A 114 -2.466 0.966 -9.780 1.00 1.01 H new ATOM 0 HB1 ALA A 114 -3.134 -0.120 -7.671 1.00 0.98 H new ATOM 0 HB2 ALA A 114 -4.560 0.298 -8.651 1.00 0.98 H new ATOM 0 HB3 ALA A 114 -3.989 -1.386 -8.585 1.00 0.98 H new ATOM 1800 N ALA A 115 -1.580 -2.207 -9.925 1.00 0.98 N ATOM 1801 CA ALA A 115 -0.448 -3.107 -9.792 1.00 1.10 C ATOM 1802 C ALA A 115 0.677 -2.804 -10.796 1.00 1.34 C ATOM 1803 O ALA A 115 1.846 -2.692 -10.413 1.00 1.47 O ATOM 1804 CB ALA A 115 -0.976 -4.535 -9.946 1.00 1.11 C ATOM 0 H ALA A 115 -2.458 -2.675 -10.149 1.00 0.98 H new ATOM 0 HA ALA A 115 0.008 -2.972 -8.811 1.00 1.10 H new ATOM 0 HB1 ALA A 115 -0.150 -5.240 -9.851 1.00 1.11 H new ATOM 0 HB2 ALA A 115 -1.715 -4.735 -9.170 1.00 1.11 H new ATOM 0 HB3 ALA A 115 -1.439 -4.648 -10.926 1.00 1.11 H new ATOM 1810 N GLN A 116 0.323 -2.659 -12.077 1.00 1.26 N ATOM 1811 CA GLN A 116 1.305 -2.463 -13.143 1.00 1.47 C ATOM 1812 C GLN A 116 1.969 -1.094 -13.103 1.00 1.70 C ATOM 1813 O GLN A 116 3.111 -1.006 -13.543 1.00 1.74 O ATOM 1814 CB GLN A 116 0.655 -2.656 -14.520 1.00 1.60 C ATOM 1815 CG GLN A 116 0.237 -4.105 -14.802 1.00 2.17 C ATOM 1816 CD GLN A 116 1.377 -5.122 -14.910 1.00 3.43 C ATOM 1817 OE1 GLN A 116 1.140 -6.320 -14.825 1.00 3.71 O ATOM 1818 NE2 GLN A 116 2.621 -4.733 -15.103 1.00 4.59 N ATOM 0 H GLN A 116 -0.644 -2.674 -12.400 1.00 1.26 H new ATOM 0 HA GLN A 116 2.078 -3.213 -12.976 1.00 1.47 H new ATOM 0 HB2 GLN A 116 -0.222 -2.013 -14.592 1.00 1.60 H new ATOM 0 HB3 GLN A 116 1.353 -2.331 -15.291 1.00 1.60 H new ATOM 0 HG2 GLN A 116 -0.438 -4.428 -14.010 1.00 2.17 H new ATOM 0 HG3 GLN A 116 -0.330 -4.124 -15.732 1.00 2.17 H new ATOM 0 HE21 GLN A 116 2.839 -3.739 -15.177 1.00 4.59 H new ATOM 0 HE22 GLN A 116 3.366 -5.426 -15.179 1.00 4.59 H new ATOM 1827 N THR A 117 1.281 -0.064 -12.595 1.00 1.35 N ATOM 1828 CA THR A 117 1.791 1.316 -12.556 1.00 1.35 C ATOM 1829 C THR A 117 2.939 1.453 -11.562 1.00 1.60 C ATOM 1830 O THR A 117 3.930 2.126 -11.844 1.00 1.61 O ATOM 1831 CB THR A 117 0.645 2.285 -12.241 1.00 1.34 C ATOM 1832 OG1 THR A 117 -0.312 2.163 -13.267 1.00 1.51 O ATOM 1833 CG2 THR A 117 1.094 3.743 -12.227 1.00 1.45 C ATOM 0 H THR A 117 0.348 -0.164 -12.196 1.00 1.35 H new ATOM 0 HA THR A 117 2.193 1.571 -13.536 1.00 1.35 H new ATOM 0 HB THR A 117 0.258 2.032 -11.254 1.00 1.34 H new ATOM 0 HG1 THR A 117 -1.045 1.587 -12.964 1.00 1.51 H new ATOM 0 HG21 THR A 117 0.242 4.384 -11.999 1.00 1.45 H new ATOM 0 HG22 THR A 117 1.864 3.879 -11.468 1.00 1.45 H new ATOM 0 HG23 THR A 117 1.497 4.009 -13.204 1.00 1.45 H new ATOM 1841 N PHE A 118 2.819 0.813 -10.396 1.00 1.28 N ATOM 1842 CA PHE A 118 3.919 0.677 -9.438 1.00 1.32 C ATOM 1843 C PHE A 118 4.987 -0.350 -9.864 1.00 2.16 C ATOM 1844 O PHE A 118 6.179 -0.120 -9.657 1.00 2.47 O ATOM 1845 CB PHE A 118 3.325 0.367 -8.061 1.00 1.31 C ATOM 1846 CG PHE A 118 2.511 1.508 -7.481 1.00 1.27 C ATOM 1847 CD1 PHE A 118 3.144 2.701 -7.094 1.00 2.43 C ATOM 1848 CD2 PHE A 118 1.117 1.400 -7.372 1.00 2.02 C ATOM 1849 CE1 PHE A 118 2.381 3.801 -6.660 1.00 2.40 C ATOM 1850 CE2 PHE A 118 0.354 2.492 -6.937 1.00 1.82 C ATOM 1851 CZ PHE A 118 0.982 3.702 -6.601 1.00 1.18 C ATOM 0 H PHE A 118 1.952 0.373 -10.089 1.00 1.28 H new ATOM 0 HA PHE A 118 4.462 1.621 -9.400 1.00 1.32 H new ATOM 0 HB2 PHE A 118 2.692 -0.517 -8.138 1.00 1.31 H new ATOM 0 HB3 PHE A 118 4.134 0.122 -7.372 1.00 1.31 H new ATOM 0 HD1 PHE A 118 4.221 2.774 -7.130 1.00 2.43 H new ATOM 0 HD2 PHE A 118 0.629 0.470 -7.625 1.00 2.02 H new ATOM 0 HE1 PHE A 118 2.871 4.720 -6.373 1.00 2.40 H new ATOM 0 HE2 PHE A 118 -0.720 2.403 -6.860 1.00 1.82 H new ATOM 0 HZ PHE A 118 0.391 4.554 -6.298 1.00 1.18 H new ATOM 1861 N GLY A 119 4.560 -1.478 -10.453 1.00 1.46 N ATOM 1862 CA GLY A 119 5.425 -2.508 -11.056 1.00 1.34 C ATOM 1863 C GLY A 119 5.270 -3.897 -10.442 1.00 1.39 C ATOM 1864 O GLY A 119 6.067 -4.787 -10.722 1.00 1.42 O ATOM 0 H GLY A 119 3.569 -1.707 -10.526 1.00 1.46 H new ATOM 0 HA2 GLY A 119 5.208 -2.569 -12.123 1.00 1.34 H new ATOM 0 HA3 GLY A 119 6.465 -2.195 -10.959 1.00 1.34 H new ATOM 1868 N VAL A 120 4.250 -4.085 -9.607 1.00 1.39 N ATOM 1869 CA VAL A 120 3.872 -5.369 -9.014 1.00 1.31 C ATOM 1870 C VAL A 120 3.006 -6.145 -10.008 1.00 1.14 C ATOM 1871 O VAL A 120 2.206 -5.586 -10.756 1.00 1.29 O ATOM 1872 CB VAL A 120 3.227 -5.195 -7.618 1.00 1.75 C ATOM 1873 CG1 VAL A 120 2.221 -4.052 -7.551 1.00 1.82 C ATOM 1874 CG2 VAL A 120 2.491 -6.439 -7.075 1.00 3.06 C ATOM 0 H VAL A 120 3.641 -3.321 -9.313 1.00 1.39 H new ATOM 0 HA VAL A 120 4.766 -5.964 -8.826 1.00 1.31 H new ATOM 0 HB VAL A 120 4.103 -4.990 -7.002 1.00 1.75 H new ATOM 0 HG11 VAL A 120 1.809 -3.989 -6.544 1.00 1.82 H new ATOM 0 HG12 VAL A 120 2.718 -3.114 -7.799 1.00 1.82 H new ATOM 0 HG13 VAL A 120 1.415 -4.234 -8.262 1.00 1.82 H new ATOM 0 HG21 VAL A 120 2.075 -6.216 -6.093 1.00 3.06 H new ATOM 0 HG22 VAL A 120 1.686 -6.712 -7.757 1.00 3.06 H new ATOM 0 HG23 VAL A 120 3.192 -7.269 -6.991 1.00 3.06 H new ATOM 1884 N PHE A 121 3.204 -7.458 -10.024 1.00 1.08 N ATOM 1885 CA PHE A 121 2.577 -8.397 -10.935 1.00 1.05 C ATOM 1886 C PHE A 121 1.951 -9.548 -10.146 1.00 1.91 C ATOM 1887 O PHE A 121 2.379 -9.884 -9.041 1.00 2.00 O ATOM 1888 CB PHE A 121 3.630 -8.871 -11.952 1.00 1.16 C ATOM 1889 CG PHE A 121 4.956 -9.299 -11.341 1.00 1.27 C ATOM 1890 CD1 PHE A 121 5.127 -10.613 -10.866 1.00 2.90 C ATOM 1891 CD2 PHE A 121 6.009 -8.368 -11.207 1.00 1.79 C ATOM 1892 CE1 PHE A 121 6.338 -10.996 -10.264 1.00 3.07 C ATOM 1893 CE2 PHE A 121 7.221 -8.753 -10.607 1.00 1.57 C ATOM 1894 CZ PHE A 121 7.387 -10.068 -10.138 1.00 1.78 C ATOM 0 H PHE A 121 3.838 -7.915 -9.368 1.00 1.08 H new ATOM 0 HA PHE A 121 1.766 -7.923 -11.489 1.00 1.05 H new ATOM 0 HB2 PHE A 121 3.219 -9.708 -12.517 1.00 1.16 H new ATOM 0 HB3 PHE A 121 3.816 -8.067 -12.664 1.00 1.16 H new ATOM 0 HD1 PHE A 121 4.325 -11.329 -10.964 1.00 2.90 H new ATOM 0 HD2 PHE A 121 5.883 -7.357 -11.566 1.00 1.79 H new ATOM 0 HE1 PHE A 121 6.463 -12.004 -9.898 1.00 3.07 H new ATOM 0 HE2 PHE A 121 8.025 -8.038 -10.506 1.00 1.57 H new ATOM 0 HZ PHE A 121 8.319 -10.365 -9.681 1.00 1.78 H new ATOM 1904 N TYR A 122 0.925 -10.152 -10.744 1.00 1.06 N ATOM 1905 CA TYR A 122 0.262 -11.351 -10.235 1.00 1.12 C ATOM 1906 C TYR A 122 -0.049 -12.337 -11.370 1.00 1.35 C ATOM 1907 O TYR A 122 -0.452 -11.932 -12.469 1.00 1.44 O ATOM 1908 CB TYR A 122 -0.991 -10.971 -9.424 1.00 1.17 C ATOM 1909 CG TYR A 122 -2.150 -10.351 -10.193 1.00 1.27 C ATOM 1910 CD1 TYR A 122 -3.041 -11.179 -10.903 1.00 2.68 C ATOM 1911 CD2 TYR A 122 -2.372 -8.957 -10.163 1.00 1.77 C ATOM 1912 CE1 TYR A 122 -4.125 -10.622 -11.603 1.00 2.78 C ATOM 1913 CE2 TYR A 122 -3.479 -8.395 -10.833 1.00 1.86 C ATOM 1914 CZ TYR A 122 -4.358 -9.231 -11.564 1.00 1.65 C ATOM 1915 OH TYR A 122 -5.417 -8.731 -12.261 1.00 1.97 O ATOM 0 H TYR A 122 0.522 -9.812 -11.617 1.00 1.06 H new ATOM 0 HA TYR A 122 0.943 -11.865 -9.556 1.00 1.12 H new ATOM 0 HB2 TYR A 122 -1.357 -11.868 -8.925 1.00 1.17 H new ATOM 0 HB3 TYR A 122 -0.690 -10.273 -8.643 1.00 1.17 H new ATOM 0 HD1 TYR A 122 -2.890 -12.248 -10.910 1.00 2.68 H new ATOM 0 HD2 TYR A 122 -1.690 -8.317 -9.624 1.00 1.77 H new ATOM 0 HE1 TYR A 122 -4.782 -11.262 -12.173 1.00 2.78 H new ATOM 0 HE2 TYR A 122 -3.656 -7.330 -10.789 1.00 1.86 H new ATOM 0 HH TYR A 122 -6.166 -8.573 -11.649 1.00 1.97 H new ATOM 1925 N GLN A 123 0.118 -13.629 -11.088 1.00 1.12 N ATOM 1926 CA GLN A 123 -0.514 -14.747 -11.790 1.00 1.46 C ATOM 1927 C GLN A 123 -1.114 -15.688 -10.732 1.00 1.62 C ATOM 1928 O GLN A 123 -0.931 -15.476 -9.535 1.00 1.86 O ATOM 1929 CB GLN A 123 0.503 -15.515 -12.663 1.00 1.83 C ATOM 1930 CG GLN A 123 1.134 -14.674 -13.788 1.00 2.20 C ATOM 1931 CD GLN A 123 1.638 -15.521 -14.960 1.00 3.04 C ATOM 1932 OE1 GLN A 123 1.258 -15.320 -16.098 1.00 3.90 O ATOM 1933 NE2 GLN A 123 2.474 -16.520 -14.750 1.00 3.66 N ATOM 0 H GLN A 123 0.725 -13.939 -10.329 1.00 1.12 H new ATOM 0 HA GLN A 123 -1.288 -14.365 -12.456 1.00 1.46 H new ATOM 0 HB2 GLN A 123 1.297 -15.899 -12.023 1.00 1.83 H new ATOM 0 HB3 GLN A 123 0.006 -16.378 -13.106 1.00 1.83 H new ATOM 0 HG2 GLN A 123 0.398 -13.958 -14.155 1.00 2.20 H new ATOM 0 HG3 GLN A 123 1.964 -14.097 -13.381 1.00 2.20 H new ATOM 0 HE21 GLN A 123 2.811 -16.714 -13.807 1.00 3.66 H new ATOM 0 HE22 GLN A 123 2.784 -17.099 -15.531 1.00 3.66 H new ATOM 1942 N LYS A 124 -1.799 -16.744 -11.166 1.00 1.42 N ATOM 1943 CA LYS A 124 -2.115 -17.894 -10.312 1.00 1.35 C ATOM 1944 C LYS A 124 -1.932 -19.216 -11.075 1.00 1.60 C ATOM 1945 O LYS A 124 -2.358 -19.376 -12.221 1.00 2.12 O ATOM 1946 CB LYS A 124 -3.468 -17.712 -9.590 1.00 1.69 C ATOM 1947 CG LYS A 124 -4.666 -17.246 -10.430 1.00 1.98 C ATOM 1948 CD LYS A 124 -5.823 -16.873 -9.487 1.00 2.55 C ATOM 1949 CE LYS A 124 -7.036 -16.390 -10.279 1.00 2.82 C ATOM 1950 NZ LYS A 124 -8.213 -16.185 -9.412 1.00 3.50 N ATOM 0 H LYS A 124 -2.152 -16.829 -12.119 1.00 1.42 H new ATOM 0 HA LYS A 124 -1.393 -17.950 -9.497 1.00 1.35 H new ATOM 0 HB2 LYS A 124 -3.732 -18.663 -9.127 1.00 1.69 H new ATOM 0 HB3 LYS A 124 -3.324 -16.994 -8.783 1.00 1.69 H new ATOM 0 HG2 LYS A 124 -4.386 -16.388 -11.041 1.00 1.98 H new ATOM 0 HG3 LYS A 124 -4.977 -18.036 -11.113 1.00 1.98 H new ATOM 0 HD2 LYS A 124 -6.099 -17.737 -8.883 1.00 2.55 H new ATOM 0 HD3 LYS A 124 -5.499 -16.093 -8.798 1.00 2.55 H new ATOM 0 HE2 LYS A 124 -6.791 -15.456 -10.785 1.00 2.82 H new ATOM 0 HE3 LYS A 124 -7.278 -17.118 -11.053 1.00 2.82 H new ATOM 0 HZ1 LYS A 124 -8.688 -15.298 -9.676 1.00 3.50 H new ATOM 0 HZ2 LYS A 124 -8.873 -16.980 -9.529 1.00 3.50 H new ATOM 0 HZ3 LYS A 124 -7.908 -16.132 -8.419 1.00 3.50 H new ATOM 2120 N VAL A 135 -1.194 -18.829 -5.864 1.00 1.43 N ATOM 2121 CA VAL A 135 -1.310 -17.433 -6.333 1.00 1.37 C ATOM 2122 C VAL A 135 0.010 -16.702 -6.083 1.00 1.40 C ATOM 2123 O VAL A 135 0.517 -16.673 -4.962 1.00 1.38 O ATOM 2124 CB VAL A 135 -2.545 -16.698 -5.750 1.00 1.72 C ATOM 2125 CG1 VAL A 135 -2.623 -16.735 -4.213 1.00 2.80 C ATOM 2126 CG2 VAL A 135 -2.617 -15.241 -6.249 1.00 1.86 C ATOM 0 HA VAL A 135 -1.492 -17.442 -7.408 1.00 1.37 H new ATOM 0 HB VAL A 135 -3.409 -17.251 -6.119 1.00 1.72 H new ATOM 0 HG11 VAL A 135 -3.513 -16.200 -3.881 1.00 2.80 H new ATOM 0 HG12 VAL A 135 -2.675 -17.770 -3.876 1.00 2.80 H new ATOM 0 HG13 VAL A 135 -1.737 -16.260 -3.792 1.00 2.80 H new ATOM 0 HG21 VAL A 135 -3.494 -14.753 -5.822 1.00 1.86 H new ATOM 0 HG22 VAL A 135 -1.718 -14.706 -5.941 1.00 1.86 H new ATOM 0 HG23 VAL A 135 -2.690 -15.232 -7.337 1.00 1.86 H new ATOM 2136 N ASP A 136 0.570 -16.142 -7.156 1.00 1.07 N ATOM 2137 CA ASP A 136 1.997 -15.871 -7.316 1.00 1.16 C ATOM 2138 C ASP A 136 2.196 -14.375 -7.624 1.00 1.14 C ATOM 2139 O ASP A 136 1.932 -13.906 -8.733 1.00 1.29 O ATOM 2140 CB ASP A 136 2.553 -16.760 -8.448 1.00 1.76 C ATOM 2141 CG ASP A 136 2.113 -18.233 -8.377 1.00 3.57 C ATOM 2142 OD1 ASP A 136 2.533 -18.943 -7.435 1.00 4.49 O ATOM 2143 OD2 ASP A 136 1.359 -18.655 -9.287 1.00 4.81 O ATOM 0 H ASP A 136 0.021 -15.855 -7.966 1.00 1.07 H new ATOM 0 HA ASP A 136 2.539 -16.104 -6.399 1.00 1.16 H new ATOM 0 HB2 ASP A 136 2.238 -16.346 -9.406 1.00 1.76 H new ATOM 0 HB3 ASP A 136 3.642 -16.718 -8.425 1.00 1.76 H new ATOM 2148 N HIS A 137 2.580 -13.586 -6.617 1.00 0.98 N ATOM 2149 CA HIS A 137 2.503 -12.122 -6.652 1.00 0.94 C ATOM 2150 C HIS A 137 3.666 -11.415 -5.920 1.00 1.22 C ATOM 2151 O HIS A 137 4.240 -11.969 -4.985 1.00 1.42 O ATOM 2152 CB HIS A 137 1.132 -11.712 -6.093 1.00 1.16 C ATOM 2153 CG HIS A 137 0.837 -12.280 -4.720 1.00 1.60 C ATOM 2154 ND1 HIS A 137 0.369 -13.548 -4.444 1.00 3.40 N ATOM 2155 CD2 HIS A 137 0.988 -11.644 -3.519 1.00 1.70 C ATOM 2156 CE1 HIS A 137 0.238 -13.661 -3.112 1.00 3.38 C ATOM 2157 NE2 HIS A 137 0.603 -12.522 -2.501 1.00 2.16 N ATOM 0 H HIS A 137 2.958 -13.950 -5.743 1.00 0.98 H new ATOM 0 HA HIS A 137 2.608 -11.793 -7.686 1.00 0.94 H new ATOM 0 HB2 HIS A 137 1.080 -10.624 -6.045 1.00 1.16 H new ATOM 0 HB3 HIS A 137 0.356 -12.038 -6.785 1.00 1.16 H new ATOM 0 HD2 HIS A 137 1.344 -10.634 -3.380 1.00 1.70 H new ATOM 0 HE1 HIS A 137 -0.113 -14.546 -2.602 1.00 3.38 H new ATOM 0 HE2 HIS A 137 0.600 -12.335 -1.498 1.00 2.16 H new ATOM 2166 N THR A 138 4.003 -10.177 -6.321 1.00 0.86 N ATOM 2167 CA THR A 138 5.214 -9.448 -5.867 1.00 1.02 C ATOM 2168 C THR A 138 5.139 -8.883 -4.442 1.00 1.41 C ATOM 2169 O THR A 138 6.172 -8.493 -3.906 1.00 2.79 O ATOM 2170 CB THR A 138 5.564 -8.313 -6.845 1.00 1.02 C ATOM 2171 OG1 THR A 138 5.152 -8.642 -8.148 1.00 1.66 O ATOM 2172 CG2 THR A 138 7.048 -7.993 -6.936 1.00 1.77 C ATOM 0 H THR A 138 3.437 -9.641 -6.979 1.00 0.86 H new ATOM 0 HA THR A 138 5.998 -10.205 -5.851 1.00 1.02 H new ATOM 0 HB THR A 138 5.044 -7.443 -6.444 1.00 1.02 H new ATOM 0 HG1 THR A 138 5.937 -8.715 -8.731 1.00 1.66 H new ATOM 0 HG21 THR A 138 7.202 -7.182 -7.648 1.00 1.77 H new ATOM 0 HG22 THR A 138 7.416 -7.690 -5.956 1.00 1.77 H new ATOM 0 HG23 THR A 138 7.591 -8.877 -7.270 1.00 1.77 H new ATOM 2180 N ALA A 139 3.949 -8.786 -3.841 1.00 1.14 N ATOM 2181 CA ALA A 139 3.750 -8.427 -2.421 1.00 1.17 C ATOM 2182 C ALA A 139 4.418 -7.097 -1.984 1.00 1.24 C ATOM 2183 O ALA A 139 4.824 -6.944 -0.827 1.00 1.72 O ATOM 2184 CB ALA A 139 4.193 -9.619 -1.549 1.00 1.27 C ATOM 0 H ALA A 139 3.073 -8.958 -4.334 1.00 1.14 H new ATOM 0 HA ALA A 139 2.687 -8.229 -2.280 1.00 1.17 H new ATOM 0 HB1 ALA A 139 4.053 -9.372 -0.497 1.00 1.27 H new ATOM 0 HB2 ALA A 139 3.594 -10.495 -1.799 1.00 1.27 H new ATOM 0 HB3 ALA A 139 5.245 -9.834 -1.734 1.00 1.27 H new ATOM 2190 N THR A 140 4.612 -6.143 -2.908 1.00 1.00 N ATOM 2191 CA THR A 140 5.490 -4.984 -2.675 1.00 0.96 C ATOM 2192 C THR A 140 4.709 -3.762 -2.192 1.00 1.00 C ATOM 2193 O THR A 140 3.516 -3.601 -2.447 1.00 1.16 O ATOM 2194 CB THR A 140 6.311 -4.617 -3.922 1.00 0.90 C ATOM 2195 OG1 THR A 140 6.487 -5.743 -4.739 1.00 1.63 O ATOM 2196 CG2 THR A 140 7.705 -4.085 -3.595 1.00 1.59 C ATOM 0 H THR A 140 4.171 -6.151 -3.828 1.00 1.00 H new ATOM 0 HA THR A 140 6.181 -5.287 -1.888 1.00 0.96 H new ATOM 0 HB THR A 140 5.741 -3.834 -4.422 1.00 0.90 H new ATOM 0 HG1 THR A 140 6.465 -6.553 -4.188 1.00 1.63 H new ATOM 0 HG21 THR A 140 8.229 -3.846 -4.520 1.00 1.59 H new ATOM 0 HG22 THR A 140 7.617 -3.186 -2.985 1.00 1.59 H new ATOM 0 HG23 THR A 140 8.264 -4.843 -3.046 1.00 1.59 H new ATOM 2204 N THR A 141 5.440 -2.909 -1.467 1.00 0.88 N ATOM 2205 CA THR A 141 5.024 -1.606 -0.946 1.00 0.80 C ATOM 2206 C THR A 141 5.634 -0.473 -1.767 1.00 1.13 C ATOM 2207 O THR A 141 6.786 -0.540 -2.203 1.00 1.35 O ATOM 2208 CB THR A 141 5.413 -1.440 0.533 1.00 0.86 C ATOM 2209 OG1 THR A 141 6.590 -2.165 0.823 1.00 1.75 O ATOM 2210 CG2 THR A 141 4.347 -1.968 1.484 1.00 2.16 C ATOM 0 H THR A 141 6.403 -3.127 -1.212 1.00 0.88 H new ATOM 0 HA THR A 141 3.938 -1.560 -1.024 1.00 0.80 H new ATOM 0 HB THR A 141 5.545 -0.368 0.679 1.00 0.86 H new ATOM 0 HG1 THR A 141 6.574 -2.454 1.759 1.00 1.75 H new ATOM 0 HG21 THR A 141 4.675 -1.825 2.514 1.00 2.16 H new ATOM 0 HG22 THR A 141 3.415 -1.427 1.322 1.00 2.16 H new ATOM 0 HG23 THR A 141 4.188 -3.030 1.298 1.00 2.16 H new ATOM 2218 N PHE A 142 4.860 0.601 -1.919 1.00 0.78 N ATOM 2219 CA PHE A 142 5.203 1.803 -2.685 1.00 0.79 C ATOM 2220 C PHE A 142 4.721 3.055 -1.940 1.00 1.76 C ATOM 2221 O PHE A 142 3.793 2.978 -1.134 1.00 2.18 O ATOM 2222 CB PHE A 142 4.556 1.711 -4.073 1.00 0.83 C ATOM 2223 CG PHE A 142 4.809 0.399 -4.787 1.00 0.96 C ATOM 2224 CD1 PHE A 142 5.991 0.203 -5.526 1.00 2.03 C ATOM 2225 CD2 PHE A 142 3.863 -0.642 -4.693 1.00 1.76 C ATOM 2226 CE1 PHE A 142 6.205 -1.011 -6.206 1.00 1.84 C ATOM 2227 CE2 PHE A 142 4.086 -1.858 -5.360 1.00 1.84 C ATOM 2228 CZ PHE A 142 5.245 -2.037 -6.137 1.00 1.02 C ATOM 0 H PHE A 142 3.935 0.662 -1.493 1.00 0.78 H new ATOM 0 HA PHE A 142 6.285 1.874 -2.800 1.00 0.79 H new ATOM 0 HB2 PHE A 142 3.480 1.855 -3.971 1.00 0.83 H new ATOM 0 HB3 PHE A 142 4.930 2.527 -4.691 1.00 0.83 H new ATOM 0 HD1 PHE A 142 6.735 0.985 -5.571 1.00 2.03 H new ATOM 0 HD2 PHE A 142 2.966 -0.504 -4.108 1.00 1.76 H new ATOM 0 HE1 PHE A 142 7.108 -1.155 -6.781 1.00 1.84 H new ATOM 0 HE2 PHE A 142 3.365 -2.658 -5.276 1.00 1.84 H new ATOM 0 HZ PHE A 142 5.397 -2.959 -6.679 1.00 1.02 H new ATOM 2238 N VAL A 143 5.338 4.217 -2.186 1.00 0.63 N ATOM 2239 CA VAL A 143 5.038 5.427 -1.398 1.00 0.63 C ATOM 2240 C VAL A 143 4.967 6.665 -2.290 1.00 0.81 C ATOM 2241 O VAL A 143 5.822 6.904 -3.153 1.00 1.01 O ATOM 2242 CB VAL A 143 6.029 5.636 -0.229 1.00 0.83 C ATOM 2243 CG1 VAL A 143 5.566 6.800 0.665 1.00 0.99 C ATOM 2244 CG2 VAL A 143 6.174 4.387 0.659 1.00 1.27 C ATOM 0 H VAL A 143 6.040 4.349 -2.914 1.00 0.63 H new ATOM 0 HA VAL A 143 4.056 5.273 -0.952 1.00 0.63 H new ATOM 0 HB VAL A 143 6.994 5.853 -0.687 1.00 0.83 H new ATOM 0 HG11 VAL A 143 6.274 6.934 1.483 1.00 0.99 H new ATOM 0 HG12 VAL A 143 5.516 7.715 0.074 1.00 0.99 H new ATOM 0 HG13 VAL A 143 4.580 6.576 1.072 1.00 0.99 H new ATOM 0 HG21 VAL A 143 6.882 4.592 1.462 1.00 1.27 H new ATOM 0 HG22 VAL A 143 5.205 4.130 1.086 1.00 1.27 H new ATOM 0 HG23 VAL A 143 6.539 3.554 0.058 1.00 1.27 H new ATOM 2254 N VAL A 144 3.896 7.431 -2.069 1.00 0.56 N ATOM 2255 CA VAL A 144 3.517 8.582 -2.888 1.00 0.65 C ATOM 2256 C VAL A 144 3.309 9.855 -2.061 1.00 1.11 C ATOM 2257 O VAL A 144 2.737 9.816 -0.970 1.00 1.12 O ATOM 2258 CB VAL A 144 2.285 8.307 -3.785 1.00 0.69 C ATOM 2259 CG1 VAL A 144 2.462 7.040 -4.641 1.00 2.20 C ATOM 2260 CG2 VAL A 144 0.946 8.202 -3.051 1.00 2.21 C ATOM 0 H VAL A 144 3.253 7.263 -1.295 1.00 0.56 H new ATOM 0 HA VAL A 144 4.368 8.751 -3.547 1.00 0.65 H new ATOM 0 HB VAL A 144 2.240 9.198 -4.412 1.00 0.69 H new ATOM 0 HG11 VAL A 144 1.573 6.888 -5.253 1.00 2.20 H new ATOM 0 HG12 VAL A 144 3.332 7.156 -5.287 1.00 2.20 H new ATOM 0 HG13 VAL A 144 2.606 6.178 -3.990 1.00 2.20 H new ATOM 0 HG21 VAL A 144 0.151 8.009 -3.771 1.00 2.21 H new ATOM 0 HG22 VAL A 144 0.989 7.386 -2.330 1.00 2.21 H new ATOM 0 HG23 VAL A 144 0.743 9.137 -2.529 1.00 2.21 H new ATOM 2270 N LYS A 145 3.745 10.977 -2.643 1.00 0.76 N ATOM 2271 CA LYS A 145 3.596 12.367 -2.199 1.00 0.97 C ATOM 2272 C LYS A 145 2.887 13.133 -3.321 1.00 0.95 C ATOM 2273 O LYS A 145 3.268 13.013 -4.479 1.00 1.14 O ATOM 2274 CB LYS A 145 4.996 12.963 -1.946 1.00 1.29 C ATOM 2275 CG LYS A 145 5.086 14.490 -1.767 1.00 1.88 C ATOM 2276 CD LYS A 145 4.229 15.021 -0.612 1.00 1.30 C ATOM 2277 CE LYS A 145 4.457 16.507 -0.290 1.00 1.73 C ATOM 2278 NZ LYS A 145 5.849 16.782 0.125 1.00 2.03 N ATOM 0 H LYS A 145 4.261 10.930 -3.522 1.00 0.76 H new ATOM 0 HA LYS A 145 3.018 12.432 -1.277 1.00 0.97 H new ATOM 0 HB2 LYS A 145 5.408 12.493 -1.053 1.00 1.29 H new ATOM 0 HB3 LYS A 145 5.639 12.682 -2.780 1.00 1.29 H new ATOM 0 HG2 LYS A 145 6.126 14.767 -1.595 1.00 1.88 H new ATOM 0 HG3 LYS A 145 4.776 14.975 -2.692 1.00 1.88 H new ATOM 0 HD2 LYS A 145 3.177 14.871 -0.856 1.00 1.30 H new ATOM 0 HD3 LYS A 145 4.437 14.431 0.281 1.00 1.30 H new ATOM 0 HE2 LYS A 145 4.216 17.108 -1.167 1.00 1.73 H new ATOM 0 HE3 LYS A 145 3.776 16.814 0.504 1.00 1.73 H new ATOM 0 HZ1 LYS A 145 5.852 17.505 0.872 1.00 2.03 H new ATOM 0 HZ2 LYS A 145 6.282 15.909 0.487 1.00 2.03 H new ATOM 0 HZ3 LYS A 145 6.393 17.126 -0.692 1.00 2.03 H new ATOM 2292 N GLU A 146 1.803 13.835 -2.989 1.00 1.02 N ATOM 2293 CA GLU A 146 0.847 14.413 -3.950 1.00 1.38 C ATOM 2294 C GLU A 146 0.066 13.311 -4.697 1.00 2.16 C ATOM 2295 O GLU A 146 -0.325 13.480 -5.848 1.00 2.68 O ATOM 2296 CB GLU A 146 1.473 15.332 -5.022 1.00 1.56 C ATOM 2297 CG GLU A 146 2.435 16.459 -4.656 1.00 1.47 C ATOM 2298 CD GLU A 146 2.917 17.051 -5.986 1.00 2.19 C ATOM 2299 OE1 GLU A 146 2.072 17.617 -6.719 1.00 3.33 O ATOM 2300 OE2 GLU A 146 4.073 16.775 -6.372 1.00 2.57 O ATOM 0 H GLU A 146 1.554 14.026 -2.018 1.00 1.02 H new ATOM 0 HA GLU A 146 0.195 15.022 -3.324 1.00 1.38 H new ATOM 0 HB2 GLU A 146 1.999 14.684 -5.724 1.00 1.56 H new ATOM 0 HB3 GLU A 146 0.647 15.788 -5.567 1.00 1.56 H new ATOM 0 HG2 GLU A 146 1.937 17.216 -4.050 1.00 1.47 H new ATOM 0 HG3 GLU A 146 3.273 16.082 -4.070 1.00 1.47 H new ATOM 2307 N GLY A 147 -0.059 12.096 -4.152 1.00 2.27 N ATOM 2308 CA GLY A 147 -0.532 10.953 -4.949 1.00 2.79 C ATOM 2309 C GLY A 147 0.497 10.456 -5.987 1.00 2.46 C ATOM 2310 O GLY A 147 0.235 9.460 -6.650 1.00 3.23 O ATOM 0 H GLY A 147 0.156 11.878 -3.179 1.00 2.27 H new ATOM 0 HA2 GLY A 147 -0.784 10.132 -4.278 1.00 2.79 H new ATOM 0 HA3 GLY A 147 -1.449 11.236 -5.466 1.00 2.79 H new ATOM 2314 N ARG A 148 1.671 11.102 -6.117 1.00 1.57 N ATOM 2315 CA ARG A 148 2.711 10.837 -7.133 1.00 1.28 C ATOM 2316 C ARG A 148 3.918 10.065 -6.580 1.00 1.19 C ATOM 2317 O ARG A 148 4.311 10.206 -5.425 1.00 1.32 O ATOM 2318 CB ARG A 148 3.204 12.158 -7.727 1.00 1.63 C ATOM 2319 CG ARG A 148 2.065 12.951 -8.378 1.00 2.98 C ATOM 2320 CD ARG A 148 2.576 14.320 -8.824 1.00 3.39 C ATOM 2321 NE ARG A 148 1.670 15.439 -8.462 1.00 4.05 N ATOM 2322 CZ ARG A 148 0.342 15.551 -8.502 1.00 5.67 C ATOM 2323 NH1 ARG A 148 -0.462 14.675 -9.065 1.00 7.30 N ATOM 2324 NH2 ARG A 148 -0.200 16.600 -7.931 1.00 5.96 N ATOM 0 H ARG A 148 1.934 11.860 -5.487 1.00 1.57 H new ATOM 0 HA ARG A 148 2.244 10.213 -7.895 1.00 1.28 H new ATOM 0 HB2 ARG A 148 3.664 12.760 -6.943 1.00 1.63 H new ATOM 0 HB3 ARG A 148 3.977 11.957 -8.469 1.00 1.63 H new ATOM 0 HG2 ARG A 148 1.671 12.403 -9.234 1.00 2.98 H new ATOM 0 HG3 ARG A 148 1.244 13.072 -7.672 1.00 2.98 H new ATOM 0 HD2 ARG A 148 3.554 14.497 -8.377 1.00 3.39 H new ATOM 0 HD3 ARG A 148 2.716 14.312 -9.905 1.00 3.39 H new ATOM 0 HE ARG A 148 2.150 16.272 -8.121 1.00 4.05 H new ATOM 0 HH11 ARG A 148 -0.077 13.842 -9.510 1.00 7.30 H new ATOM 0 HH12 ARG A 148 -1.470 14.829 -9.056 1.00 7.30 H new ATOM 0 HH21 ARG A 148 0.391 17.296 -7.477 1.00 5.96 H new ATOM 0 HH22 ARG A 148 -1.213 16.720 -7.941 1.00 5.96 H new ATOM 2338 N LEU A 149 4.537 9.234 -7.418 1.00 0.67 N ATOM 2339 CA LEU A 149 5.482 8.193 -6.976 1.00 0.61 C ATOM 2340 C LEU A 149 6.885 8.772 -6.761 1.00 1.01 C ATOM 2341 O LEU A 149 7.587 9.088 -7.718 1.00 1.34 O ATOM 2342 CB LEU A 149 5.460 6.984 -7.936 1.00 0.77 C ATOM 2343 CG LEU A 149 5.853 5.630 -7.295 1.00 0.80 C ATOM 2344 CD1 LEU A 149 5.934 4.545 -8.373 1.00 2.19 C ATOM 2345 CD2 LEU A 149 7.187 5.642 -6.537 1.00 2.05 C ATOM 0 H LEU A 149 4.401 9.259 -8.429 1.00 0.67 H new ATOM 0 HA LEU A 149 5.159 7.819 -6.005 1.00 0.61 H new ATOM 0 HB2 LEU A 149 4.459 6.892 -8.357 1.00 0.77 H new ATOM 0 HB3 LEU A 149 6.137 7.186 -8.766 1.00 0.77 H new ATOM 0 HG LEU A 149 5.070 5.427 -6.565 1.00 0.80 H new ATOM 0 HD11 LEU A 149 6.211 3.596 -7.914 1.00 2.19 H new ATOM 0 HD12 LEU A 149 4.964 4.443 -8.860 1.00 2.19 H new ATOM 0 HD13 LEU A 149 6.685 4.823 -9.113 1.00 2.19 H new ATOM 0 HD21 LEU A 149 7.379 4.652 -6.123 1.00 2.05 H new ATOM 0 HD22 LEU A 149 7.992 5.912 -7.221 1.00 2.05 H new ATOM 0 HD23 LEU A 149 7.139 6.371 -5.728 1.00 2.05 H new ATOM 2357 N VAL A 150 7.286 8.864 -5.492 1.00 0.71 N ATOM 2358 CA VAL A 150 8.569 9.426 -5.027 1.00 0.83 C ATOM 2359 C VAL A 150 9.469 8.409 -4.296 1.00 1.06 C ATOM 2360 O VAL A 150 10.667 8.657 -4.145 1.00 1.22 O ATOM 2361 CB VAL A 150 8.304 10.642 -4.111 1.00 0.97 C ATOM 2362 CG1 VAL A 150 7.820 11.840 -4.933 1.00 1.85 C ATOM 2363 CG2 VAL A 150 7.263 10.332 -3.024 1.00 1.21 C ATOM 0 H VAL A 150 6.704 8.536 -4.721 1.00 0.71 H new ATOM 0 HA VAL A 150 9.113 9.728 -5.922 1.00 0.83 H new ATOM 0 HB VAL A 150 9.250 10.880 -3.625 1.00 0.97 H new ATOM 0 HG11 VAL A 150 7.639 12.686 -4.271 1.00 1.85 H new ATOM 0 HG12 VAL A 150 8.580 12.109 -5.666 1.00 1.85 H new ATOM 0 HG13 VAL A 150 6.896 11.578 -5.448 1.00 1.85 H new ATOM 0 HG21 VAL A 150 7.109 11.216 -2.405 1.00 1.21 H new ATOM 0 HG22 VAL A 150 6.321 10.049 -3.493 1.00 1.21 H new ATOM 0 HG23 VAL A 150 7.620 9.511 -2.402 1.00 1.21 H new ATOM 2373 N LEU A 151 8.922 7.261 -3.870 1.00 0.68 N ATOM 2374 CA LEU A 151 9.637 6.249 -3.084 1.00 0.67 C ATOM 2375 C LEU A 151 9.065 4.839 -3.307 1.00 1.21 C ATOM 2376 O LEU A 151 7.848 4.667 -3.435 1.00 1.39 O ATOM 2377 CB LEU A 151 9.594 6.653 -1.585 1.00 0.71 C ATOM 2378 CG LEU A 151 10.978 6.939 -0.985 1.00 0.83 C ATOM 2379 CD1 LEU A 151 10.898 7.684 0.345 1.00 1.03 C ATOM 2380 CD2 LEU A 151 11.730 5.627 -0.742 1.00 0.94 C ATOM 0 H LEU A 151 7.954 7.007 -4.066 1.00 0.68 H new ATOM 0 HA LEU A 151 10.674 6.210 -3.417 1.00 0.67 H new ATOM 0 HB2 LEU A 151 8.969 7.539 -1.474 1.00 0.71 H new ATOM 0 HB3 LEU A 151 9.119 5.854 -1.016 1.00 0.71 H new ATOM 0 HG LEU A 151 11.501 7.566 -1.707 1.00 0.83 H new ATOM 0 HD11 LEU A 151 11.905 7.860 0.724 1.00 1.03 H new ATOM 0 HD12 LEU A 151 10.393 8.639 0.197 1.00 1.03 H new ATOM 0 HD13 LEU A 151 10.339 7.086 1.064 1.00 1.03 H new ATOM 0 HD21 LEU A 151 12.710 5.843 -0.316 1.00 0.94 H new ATOM 0 HD22 LEU A 151 11.163 5.005 -0.049 1.00 0.94 H new ATOM 0 HD23 LEU A 151 11.853 5.098 -1.687 1.00 0.94 H new ATOM 2392 N LEU A 152 9.940 3.827 -3.322 1.00 0.73 N ATOM 2393 CA LEU A 152 9.570 2.406 -3.258 1.00 0.69 C ATOM 2394 C LEU A 152 10.063 1.765 -1.958 1.00 1.09 C ATOM 2395 O LEU A 152 11.021 2.233 -1.337 1.00 1.18 O ATOM 2396 CB LEU A 152 10.101 1.600 -4.463 1.00 0.76 C ATOM 2397 CG LEU A 152 9.837 2.227 -5.844 1.00 0.84 C ATOM 2398 CD1 LEU A 152 10.989 3.112 -6.343 1.00 1.69 C ATOM 2399 CD2 LEU A 152 9.583 1.123 -6.885 1.00 1.86 C ATOM 0 H LEU A 152 10.948 3.975 -3.380 1.00 0.73 H new ATOM 0 HA LEU A 152 8.481 2.375 -3.288 1.00 0.69 H new ATOM 0 HB2 LEU A 152 11.176 1.465 -4.343 1.00 0.76 H new ATOM 0 HB3 LEU A 152 9.651 0.607 -4.441 1.00 0.76 H new ATOM 0 HG LEU A 152 8.960 2.863 -5.723 1.00 0.84 H new ATOM 0 HD11 LEU A 152 10.736 3.521 -7.321 1.00 1.69 H new ATOM 0 HD12 LEU A 152 11.152 3.928 -5.639 1.00 1.69 H new ATOM 0 HD13 LEU A 152 11.898 2.515 -6.423 1.00 1.69 H new ATOM 0 HD21 LEU A 152 9.397 1.577 -7.859 1.00 1.86 H new ATOM 0 HD22 LEU A 152 10.457 0.474 -6.948 1.00 1.86 H new ATOM 0 HD23 LEU A 152 8.715 0.535 -6.587 1.00 1.86 H new ATOM 2411 N TYR A 153 9.438 0.649 -1.599 1.00 0.74 N ATOM 2412 CA TYR A 153 9.841 -0.209 -0.491 1.00 0.79 C ATOM 2413 C TYR A 153 9.989 -1.678 -0.953 1.00 1.48 C ATOM 2414 O TYR A 153 10.935 -1.976 -1.677 1.00 2.92 O ATOM 2415 CB TYR A 153 8.872 0.018 0.689 1.00 0.86 C ATOM 2416 CG TYR A 153 9.079 1.211 1.608 1.00 0.95 C ATOM 2417 CD1 TYR A 153 10.351 1.783 1.826 1.00 1.64 C ATOM 2418 CD2 TYR A 153 7.989 1.634 2.392 1.00 2.15 C ATOM 2419 CE1 TYR A 153 10.543 2.735 2.845 1.00 1.60 C ATOM 2420 CE2 TYR A 153 8.167 2.602 3.397 1.00 2.57 C ATOM 2421 CZ TYR A 153 9.450 3.137 3.634 1.00 1.66 C ATOM 2422 OH TYR A 153 9.639 4.005 4.655 1.00 2.19 O ATOM 0 H TYR A 153 8.611 0.306 -2.087 1.00 0.74 H new ATOM 0 HA TYR A 153 10.835 0.054 -0.129 1.00 0.79 H new ATOM 0 HB2 TYR A 153 7.866 0.095 0.276 1.00 0.86 H new ATOM 0 HB3 TYR A 153 8.895 -0.879 1.308 1.00 0.86 H new ATOM 0 HD1 TYR A 153 11.184 1.488 1.206 1.00 1.64 H new ATOM 0 HD2 TYR A 153 7.010 1.212 2.221 1.00 2.15 H new ATOM 0 HE1 TYR A 153 11.523 3.154 3.020 1.00 1.60 H new ATOM 0 HE2 TYR A 153 7.324 2.934 3.985 1.00 2.57 H new ATOM 0 HH TYR A 153 10.587 4.017 4.902 1.00 2.19 H new ATOM 2432 N SER A 154 9.117 -2.581 -0.489 1.00 1.43 N ATOM 2433 CA SER A 154 9.275 -4.028 -0.187 1.00 1.10 C ATOM 2434 C SER A 154 9.030 -4.225 1.323 1.00 1.12 C ATOM 2435 O SER A 154 9.258 -3.267 2.079 1.00 1.31 O ATOM 2436 CB SER A 154 10.637 -4.638 -0.580 1.00 1.20 C ATOM 2437 OG SER A 154 10.807 -4.581 -1.983 1.00 2.29 O ATOM 0 H SER A 154 8.161 -2.288 -0.288 1.00 1.43 H new ATOM 0 HA SER A 154 8.547 -4.559 -0.801 1.00 1.10 H new ATOM 0 HB2 SER A 154 11.443 -4.096 -0.086 1.00 1.20 H new ATOM 0 HB3 SER A 154 10.693 -5.672 -0.241 1.00 1.20 H new ATOM 0 HG SER A 154 10.898 -3.646 -2.264 1.00 2.29 H new ATOM 2443 N PRO A 155 8.586 -5.408 1.796 1.00 0.74 N ATOM 2444 CA PRO A 155 8.463 -5.666 3.232 1.00 0.85 C ATOM 2445 C PRO A 155 9.816 -5.447 3.923 1.00 1.24 C ATOM 2446 O PRO A 155 9.878 -4.753 4.933 1.00 1.29 O ATOM 2447 CB PRO A 155 7.926 -7.097 3.360 1.00 1.10 C ATOM 2448 CG PRO A 155 8.311 -7.759 2.038 1.00 0.95 C ATOM 2449 CD PRO A 155 8.243 -6.605 1.038 1.00 0.79 C ATOM 0 HA PRO A 155 7.777 -4.981 3.731 1.00 0.85 H new ATOM 0 HB2 PRO A 155 8.371 -7.615 4.210 1.00 1.10 H new ATOM 0 HB3 PRO A 155 6.847 -7.106 3.511 1.00 1.10 H new ATOM 0 HG2 PRO A 155 9.309 -8.196 2.082 1.00 0.95 H new ATOM 0 HG3 PRO A 155 7.623 -8.562 1.774 1.00 0.95 H new ATOM 0 HD2 PRO A 155 8.939 -6.759 0.213 1.00 0.79 H new ATOM 0 HD3 PRO A 155 7.247 -6.521 0.603 1.00 0.79 H new ATOM 2457 N ASP A 156 10.920 -5.876 3.299 1.00 1.16 N ATOM 2458 CA ASP A 156 12.304 -5.692 3.756 1.00 1.59 C ATOM 2459 C ASP A 156 12.704 -4.238 4.046 1.00 1.67 C ATOM 2460 O ASP A 156 13.753 -3.972 4.645 1.00 2.14 O ATOM 2461 CB ASP A 156 13.276 -6.205 2.673 1.00 2.10 C ATOM 2462 CG ASP A 156 12.906 -7.543 2.034 1.00 1.65 C ATOM 2463 OD1 ASP A 156 11.884 -7.550 1.308 1.00 2.89 O ATOM 2464 OD2 ASP A 156 13.679 -8.505 2.234 1.00 2.51 O ATOM 0 H ASP A 156 10.870 -6.387 2.417 1.00 1.16 H new ATOM 0 HA ASP A 156 12.363 -6.248 4.692 1.00 1.59 H new ATOM 0 HB2 ASP A 156 13.344 -5.454 1.886 1.00 2.10 H new ATOM 0 HB3 ASP A 156 14.268 -6.296 3.114 1.00 2.10 H new ATOM 2469 N LYS A 157 11.918 -3.274 3.564 1.00 1.40 N ATOM 2470 CA LYS A 157 12.010 -1.864 3.929 1.00 1.45 C ATOM 2471 C LYS A 157 10.874 -1.445 4.880 1.00 1.44 C ATOM 2472 O LYS A 157 11.139 -0.897 5.953 1.00 1.45 O ATOM 2473 CB LYS A 157 12.054 -0.986 2.666 1.00 1.63 C ATOM 2474 CG LYS A 157 12.778 -1.507 1.406 1.00 2.19 C ATOM 2475 CD LYS A 157 14.110 -2.260 1.553 1.00 2.13 C ATOM 2476 CE LYS A 157 15.082 -1.652 2.569 1.00 2.58 C ATOM 2477 NZ LYS A 157 15.885 -2.702 3.238 1.00 3.06 N ATOM 0 H LYS A 157 11.178 -3.461 2.888 1.00 1.40 H new ATOM 0 HA LYS A 157 12.941 -1.715 4.475 1.00 1.45 H new ATOM 0 HB2 LYS A 157 11.024 -0.766 2.384 1.00 1.63 H new ATOM 0 HB3 LYS A 157 12.518 -0.039 2.942 1.00 1.63 H new ATOM 0 HG2 LYS A 157 12.087 -2.167 0.882 1.00 2.19 H new ATOM 0 HG3 LYS A 157 12.957 -0.651 0.755 1.00 2.19 H new ATOM 0 HD2 LYS A 157 13.899 -3.289 1.843 1.00 2.13 H new ATOM 0 HD3 LYS A 157 14.600 -2.297 0.580 1.00 2.13 H new ATOM 0 HE2 LYS A 157 15.745 -0.949 2.066 1.00 2.58 H new ATOM 0 HE3 LYS A 157 14.525 -1.086 3.315 1.00 2.58 H new ATOM 0 HZ1 LYS A 157 16.287 -2.323 4.119 1.00 3.06 H new ATOM 0 HZ2 LYS A 157 15.277 -3.517 3.457 1.00 3.06 H new ATOM 0 HZ3 LYS A 157 16.656 -3.004 2.608 1.00 3.06 H new ATOM 2491 N ALA A 158 9.619 -1.739 4.517 1.00 1.17 N ATOM 2492 CA ALA A 158 8.409 -1.277 5.206 1.00 1.08 C ATOM 2493 C ALA A 158 8.244 -1.807 6.642 1.00 1.15 C ATOM 2494 O ALA A 158 7.676 -1.105 7.474 1.00 1.18 O ATOM 2495 CB ALA A 158 7.201 -1.658 4.342 1.00 1.08 C ATOM 0 H ALA A 158 9.412 -2.325 3.708 1.00 1.17 H new ATOM 0 HA ALA A 158 8.493 -0.197 5.325 1.00 1.08 H new ATOM 0 HB1 ALA A 158 6.285 -1.326 4.831 1.00 1.08 H new ATOM 0 HB2 ALA A 158 7.286 -1.179 3.367 1.00 1.08 H new ATOM 0 HB3 ALA A 158 7.172 -2.740 4.214 1.00 1.08 H new ATOM 2501 N GLU A 159 8.774 -2.995 6.954 1.00 1.01 N ATOM 2502 CA GLU A 159 8.682 -3.586 8.296 1.00 1.01 C ATOM 2503 C GLU A 159 9.570 -2.862 9.330 1.00 1.22 C ATOM 2504 O GLU A 159 9.363 -2.996 10.534 1.00 1.38 O ATOM 2505 CB GLU A 159 8.959 -5.103 8.240 1.00 1.12 C ATOM 2506 CG GLU A 159 7.947 -5.814 7.316 1.00 1.44 C ATOM 2507 CD GLU A 159 7.400 -7.146 7.816 1.00 1.76 C ATOM 2508 OE1 GLU A 159 8.117 -7.873 8.531 1.00 2.16 O ATOM 2509 OE2 GLU A 159 6.238 -7.425 7.434 1.00 2.74 O ATOM 0 H GLU A 159 9.279 -3.575 6.284 1.00 1.01 H new ATOM 0 HA GLU A 159 7.659 -3.446 8.646 1.00 1.01 H new ATOM 0 HB2 GLU A 159 9.973 -5.279 7.879 1.00 1.12 H new ATOM 0 HB3 GLU A 159 8.900 -5.525 9.243 1.00 1.12 H new ATOM 0 HG2 GLU A 159 7.107 -5.141 7.146 1.00 1.44 H new ATOM 0 HG3 GLU A 159 8.423 -5.980 6.350 1.00 1.44 H new ATOM 2516 N ALA A 160 10.535 -2.039 8.897 1.00 1.04 N ATOM 2517 CA ALA A 160 11.387 -1.280 9.810 1.00 0.94 C ATOM 2518 C ALA A 160 10.735 0.061 10.215 1.00 1.02 C ATOM 2519 O ALA A 160 11.160 1.113 9.730 1.00 0.94 O ATOM 2520 CB ALA A 160 12.777 -1.127 9.169 1.00 0.97 C ATOM 0 H ALA A 160 10.743 -1.884 7.910 1.00 1.04 H new ATOM 0 HA ALA A 160 11.509 -1.820 10.749 1.00 0.94 H new ATOM 0 HB1 ALA A 160 13.426 -0.562 9.838 1.00 0.97 H new ATOM 0 HB2 ALA A 160 13.207 -2.113 8.993 1.00 0.97 H new ATOM 0 HB3 ALA A 160 12.684 -0.597 8.221 1.00 0.97 H new ATOM 2526 N THR A 161 9.744 0.040 11.128 1.00 0.82 N ATOM 2527 CA THR A 161 8.998 1.225 11.634 1.00 0.84 C ATOM 2528 C THR A 161 9.843 2.483 11.761 1.00 1.03 C ATOM 2529 O THR A 161 9.550 3.484 11.119 1.00 1.30 O ATOM 2530 CB THR A 161 8.366 0.925 12.999 1.00 0.91 C ATOM 2531 OG1 THR A 161 7.307 0.031 12.815 1.00 1.06 O ATOM 2532 CG2 THR A 161 7.784 2.150 13.716 1.00 1.13 C ATOM 0 H THR A 161 9.424 -0.830 11.553 1.00 0.82 H new ATOM 0 HA THR A 161 8.233 1.420 10.882 1.00 0.84 H new ATOM 0 HB THR A 161 9.173 0.530 13.616 1.00 0.91 H new ATOM 0 HG1 THR A 161 6.662 0.413 12.184 1.00 1.06 H new ATOM 0 HG21 THR A 161 7.359 1.844 14.672 1.00 1.13 H new ATOM 0 HG22 THR A 161 8.574 2.881 13.888 1.00 1.13 H new ATOM 0 HG23 THR A 161 7.005 2.597 13.099 1.00 1.13 H new ATOM 2540 N ASP A 162 10.878 2.463 12.600 1.00 0.92 N ATOM 2541 CA ASP A 162 11.657 3.667 12.908 1.00 1.02 C ATOM 2542 C ASP A 162 12.482 4.173 11.711 1.00 1.34 C ATOM 2543 O ASP A 162 12.913 5.323 11.704 1.00 1.50 O ATOM 2544 CB ASP A 162 12.487 3.416 14.171 1.00 1.10 C ATOM 2545 CG ASP A 162 11.569 3.202 15.383 1.00 1.49 C ATOM 2546 OD1 ASP A 162 11.089 4.213 15.948 1.00 2.36 O ATOM 2547 OD2 ASP A 162 11.300 2.024 15.705 1.00 2.55 O ATOM 0 H ASP A 162 11.199 1.623 13.082 1.00 0.92 H new ATOM 0 HA ASP A 162 10.972 4.489 13.113 1.00 1.02 H new ATOM 0 HB2 ASP A 162 13.121 2.541 14.029 1.00 1.10 H new ATOM 0 HB3 ASP A 162 13.148 4.263 14.353 1.00 1.10 H new ATOM 2552 N ARG A 163 12.681 3.340 10.681 1.00 0.96 N ATOM 2553 CA ARG A 163 13.065 3.812 9.348 1.00 0.97 C ATOM 2554 C ARG A 163 11.913 4.522 8.632 1.00 1.11 C ATOM 2555 O ARG A 163 12.109 5.660 8.220 1.00 1.40 O ATOM 2556 CB ARG A 163 13.610 2.679 8.475 1.00 1.05 C ATOM 2557 CG ARG A 163 14.670 1.818 9.176 1.00 1.25 C ATOM 2558 CD ARG A 163 15.875 2.655 9.593 1.00 1.52 C ATOM 2559 NE ARG A 163 16.839 1.869 10.379 1.00 1.58 N ATOM 2560 CZ ARG A 163 16.743 1.596 11.676 1.00 2.63 C ATOM 2561 NH1 ARG A 163 15.742 2.035 12.414 1.00 3.61 N ATOM 2562 NH2 ARG A 163 17.672 0.863 12.245 1.00 3.43 N ATOM 0 H ARG A 163 12.581 2.327 10.749 1.00 0.96 H new ATOM 0 HA ARG A 163 13.863 4.538 9.504 1.00 0.97 H new ATOM 0 HB2 ARG A 163 12.783 2.041 8.165 1.00 1.05 H new ATOM 0 HB3 ARG A 163 14.041 3.105 7.569 1.00 1.05 H new ATOM 0 HG2 ARG A 163 14.233 1.343 10.054 1.00 1.25 H new ATOM 0 HG3 ARG A 163 14.993 1.019 8.508 1.00 1.25 H new ATOM 0 HD2 ARG A 163 16.367 3.052 8.705 1.00 1.52 H new ATOM 0 HD3 ARG A 163 15.539 3.510 10.180 1.00 1.52 H new ATOM 0 HE ARG A 163 17.652 1.501 9.885 1.00 1.58 H new ATOM 0 HH11 ARG A 163 15.008 2.604 11.992 1.00 3.61 H new ATOM 0 HH12 ARG A 163 15.701 1.805 13.407 1.00 3.61 H new ATOM 0 HH21 ARG A 163 18.454 0.511 11.692 1.00 3.43 H new ATOM 0 HH22 ARG A 163 17.612 0.645 13.240 1.00 3.43 H new ATOM 2576 N VAL A 164 10.721 3.922 8.585 1.00 0.87 N ATOM 2577 CA VAL A 164 9.520 4.540 7.976 1.00 0.88 C ATOM 2578 C VAL A 164 9.224 5.927 8.571 1.00 1.11 C ATOM 2579 O VAL A 164 8.867 6.842 7.834 1.00 1.19 O ATOM 2580 CB VAL A 164 8.268 3.626 8.048 1.00 0.88 C ATOM 2581 CG1 VAL A 164 7.065 4.211 7.284 1.00 0.91 C ATOM 2582 CG2 VAL A 164 8.529 2.208 7.514 1.00 1.01 C ATOM 0 H VAL A 164 10.552 2.991 8.967 1.00 0.87 H new ATOM 0 HA VAL A 164 9.756 4.670 6.920 1.00 0.88 H new ATOM 0 HB VAL A 164 8.034 3.570 9.111 1.00 0.88 H new ATOM 0 HG11 VAL A 164 6.216 3.532 7.367 1.00 0.91 H new ATOM 0 HG12 VAL A 164 6.799 5.178 7.710 1.00 0.91 H new ATOM 0 HG13 VAL A 164 7.328 4.337 6.234 1.00 0.91 H new ATOM 0 HG21 VAL A 164 7.617 1.617 7.591 1.00 1.01 H new ATOM 0 HG22 VAL A 164 8.839 2.264 6.470 1.00 1.01 H new ATOM 0 HG23 VAL A 164 9.317 1.737 8.102 1.00 1.01 H new ATOM 2592 N VAL A 165 9.458 6.116 9.874 1.00 0.98 N ATOM 2593 CA VAL A 165 9.405 7.440 10.536 1.00 1.11 C ATOM 2594 C VAL A 165 10.316 8.500 9.878 1.00 1.27 C ATOM 2595 O VAL A 165 9.891 9.640 9.674 1.00 1.42 O ATOM 2596 CB VAL A 165 9.766 7.309 12.038 1.00 1.29 C ATOM 2597 CG1 VAL A 165 9.905 8.656 12.772 1.00 1.57 C ATOM 2598 CG2 VAL A 165 8.704 6.476 12.778 1.00 1.44 C ATOM 0 H VAL A 165 9.692 5.354 10.510 1.00 0.98 H new ATOM 0 HA VAL A 165 8.379 7.789 10.421 1.00 1.11 H new ATOM 0 HB VAL A 165 10.740 6.820 12.052 1.00 1.29 H new ATOM 0 HG11 VAL A 165 10.158 8.477 13.817 1.00 1.57 H new ATOM 0 HG12 VAL A 165 10.693 9.246 12.304 1.00 1.57 H new ATOM 0 HG13 VAL A 165 8.962 9.200 12.716 1.00 1.57 H new ATOM 0 HG21 VAL A 165 8.974 6.395 13.831 1.00 1.44 H new ATOM 0 HG22 VAL A 165 7.733 6.963 12.689 1.00 1.44 H new ATOM 0 HG23 VAL A 165 8.652 5.480 12.339 1.00 1.44 H new ATOM 2608 N ALA A 166 11.579 8.161 9.585 1.00 1.08 N ATOM 2609 CA ALA A 166 12.550 9.046 8.929 1.00 1.16 C ATOM 2610 C ALA A 166 12.277 9.232 7.428 1.00 1.27 C ATOM 2611 O ALA A 166 12.328 10.365 6.944 1.00 1.39 O ATOM 2612 CB ALA A 166 13.956 8.488 9.182 1.00 1.29 C ATOM 0 H ALA A 166 11.963 7.241 9.803 1.00 1.08 H new ATOM 0 HA ALA A 166 12.458 10.043 9.359 1.00 1.16 H new ATOM 0 HB1 ALA A 166 14.694 9.131 8.703 1.00 1.29 H new ATOM 0 HB2 ALA A 166 14.146 8.454 10.255 1.00 1.29 H new ATOM 0 HB3 ALA A 166 14.028 7.482 8.769 1.00 1.29 H new ATOM 2618 N ASP A 167 11.941 8.151 6.717 1.00 0.98 N ATOM 2619 CA ASP A 167 11.568 8.188 5.299 1.00 1.02 C ATOM 2620 C ASP A 167 10.363 9.132 5.091 1.00 1.29 C ATOM 2621 O ASP A 167 10.400 9.990 4.207 1.00 1.31 O ATOM 2622 CB ASP A 167 11.237 6.773 4.789 1.00 1.13 C ATOM 2623 CG ASP A 167 12.409 5.772 4.737 1.00 1.82 C ATOM 2624 OD1 ASP A 167 13.370 5.992 3.962 1.00 2.31 O ATOM 2625 OD2 ASP A 167 12.288 4.701 5.374 1.00 3.18 O ATOM 0 H ASP A 167 11.920 7.212 7.116 1.00 0.98 H new ATOM 0 HA ASP A 167 12.414 8.568 4.727 1.00 1.02 H new ATOM 0 HB2 ASP A 167 10.458 6.354 5.425 1.00 1.13 H new ATOM 0 HB3 ASP A 167 10.817 6.860 3.787 1.00 1.13 H new ATOM 2630 N LEU A 168 9.342 9.048 5.964 1.00 0.95 N ATOM 2631 CA LEU A 168 8.192 9.965 5.980 1.00 1.04 C ATOM 2632 C LEU A 168 8.581 11.412 6.294 1.00 1.53 C ATOM 2633 O LEU A 168 8.031 12.328 5.691 1.00 1.71 O ATOM 2634 CB LEU A 168 7.125 9.493 6.988 1.00 1.20 C ATOM 2635 CG LEU A 168 6.298 8.262 6.557 1.00 1.20 C ATOM 2636 CD1 LEU A 168 5.453 7.777 7.746 1.00 1.78 C ATOM 2637 CD2 LEU A 168 5.366 8.573 5.377 1.00 1.70 C ATOM 0 H LEU A 168 9.294 8.330 6.687 1.00 0.95 H new ATOM 0 HA LEU A 168 7.782 9.946 4.970 1.00 1.04 H new ATOM 0 HB2 LEU A 168 7.619 9.264 7.932 1.00 1.20 H new ATOM 0 HB3 LEU A 168 6.440 10.319 7.179 1.00 1.20 H new ATOM 0 HG LEU A 168 6.998 7.491 6.237 1.00 1.20 H new ATOM 0 HD11 LEU A 168 4.868 6.908 7.446 1.00 1.78 H new ATOM 0 HD12 LEU A 168 6.110 7.504 8.572 1.00 1.78 H new ATOM 0 HD13 LEU A 168 4.782 8.574 8.064 1.00 1.78 H new ATOM 0 HD21 LEU A 168 4.806 7.677 5.110 1.00 1.70 H new ATOM 0 HD22 LEU A 168 4.672 9.364 5.660 1.00 1.70 H new ATOM 0 HD23 LEU A 168 5.958 8.899 4.522 1.00 1.70 H new ATOM 2649 N GLN A 169 9.527 11.647 7.208 1.00 1.19 N ATOM 2650 CA GLN A 169 10.017 12.996 7.505 1.00 1.38 C ATOM 2651 C GLN A 169 10.672 13.683 6.290 1.00 1.72 C ATOM 2652 O GLN A 169 10.643 14.907 6.199 1.00 1.90 O ATOM 2653 CB GLN A 169 11.009 12.947 8.684 1.00 1.59 C ATOM 2654 CG GLN A 169 10.381 13.290 10.040 1.00 1.98 C ATOM 2655 CD GLN A 169 11.402 13.953 10.966 1.00 2.68 C ATOM 2656 OE1 GLN A 169 11.489 15.172 11.081 1.00 3.79 O ATOM 2657 NE2 GLN A 169 12.247 13.193 11.630 1.00 2.86 N ATOM 0 H GLN A 169 9.972 10.913 7.759 1.00 1.19 H new ATOM 0 HA GLN A 169 9.147 13.596 7.773 1.00 1.38 H new ATOM 0 HB2 GLN A 169 11.444 11.949 8.738 1.00 1.59 H new ATOM 0 HB3 GLN A 169 11.826 13.641 8.487 1.00 1.59 H new ATOM 0 HG2 GLN A 169 9.532 13.957 9.893 1.00 1.98 H new ATOM 0 HG3 GLN A 169 9.997 12.383 10.507 1.00 1.98 H new ATOM 0 HE21 GLN A 169 12.192 12.178 11.549 1.00 2.86 H new ATOM 0 HE22 GLN A 169 12.957 13.619 12.226 1.00 2.86 H new ATOM 2666 N ALA A 170 11.280 12.918 5.381 1.00 1.34 N ATOM 2667 CA ALA A 170 11.754 13.370 4.069 1.00 1.50 C ATOM 2668 C ALA A 170 10.672 13.577 2.983 1.00 1.57 C ATOM 2669 O ALA A 170 10.991 14.070 1.897 1.00 1.99 O ATOM 2670 CB ALA A 170 12.804 12.375 3.601 1.00 1.52 C ATOM 0 H ALA A 170 11.463 11.928 5.544 1.00 1.34 H new ATOM 0 HA ALA A 170 12.156 14.374 4.208 1.00 1.50 H new ATOM 0 HB1 ALA A 170 13.182 12.678 2.625 1.00 1.52 H new ATOM 0 HB2 ALA A 170 13.626 12.350 4.317 1.00 1.52 H new ATOM 0 HB3 ALA A 170 12.358 11.383 3.526 1.00 1.52 H new ATOM 2676 N LEU A 171 9.454 13.074 3.204 1.00 1.26 N ATOM 2677 CA LEU A 171 8.343 13.107 2.246 1.00 1.27 C ATOM 2678 C LEU A 171 7.361 14.260 2.484 1.00 1.55 C ATOM 2679 O LEU A 171 6.500 14.470 1.626 1.00 1.75 O ATOM 2680 CB LEU A 171 7.609 11.752 2.302 1.00 1.25 C ATOM 2681 CG LEU A 171 8.371 10.608 1.609 1.00 1.40 C ATOM 2682 CD1 LEU A 171 7.761 9.257 1.999 1.00 1.68 C ATOM 2683 CD2 LEU A 171 8.274 10.775 0.091 1.00 2.01 C ATOM 0 H LEU A 171 9.205 12.618 4.082 1.00 1.26 H new ATOM 0 HA LEU A 171 8.764 13.282 1.256 1.00 1.27 H new ATOM 0 HB2 LEU A 171 7.438 11.484 3.345 1.00 1.25 H new ATOM 0 HB3 LEU A 171 6.630 11.859 1.836 1.00 1.25 H new ATOM 0 HG LEU A 171 9.414 10.640 1.923 1.00 1.40 H new ATOM 0 HD11 LEU A 171 8.307 8.454 1.503 1.00 1.68 H new ATOM 0 HD12 LEU A 171 7.826 9.127 3.079 1.00 1.68 H new ATOM 0 HD13 LEU A 171 6.716 9.228 1.692 1.00 1.68 H new ATOM 0 HD21 LEU A 171 8.814 9.965 -0.399 1.00 2.01 H new ATOM 0 HD22 LEU A 171 7.227 10.749 -0.212 1.00 2.01 H new ATOM 0 HD23 LEU A 171 8.712 11.730 -0.199 1.00 2.01 H new ATOM 2695 N LEU A 172 7.482 14.990 3.598 1.00 1.48 N ATOM 2696 CA LEU A 172 6.611 16.124 3.960 1.00 1.90 C ATOM 2697 C LEU A 172 6.597 17.255 2.915 1.00 2.59 C ATOM 2698 O LEU A 172 7.609 17.470 2.213 1.00 3.92 O ATOM 2699 CB LEU A 172 6.981 16.621 5.372 1.00 2.16 C ATOM 2700 CG LEU A 172 6.618 15.672 6.527 1.00 1.79 C ATOM 2701 CD1 LEU A 172 7.131 16.271 7.838 1.00 2.30 C ATOM 2702 CD2 LEU A 172 5.107 15.453 6.672 1.00 2.13 C ATOM 2703 OXT LEU A 172 5.493 17.786 2.665 1.00 2.62 O ATOM 0 H LEU A 172 8.205 14.807 4.293 1.00 1.48 H new ATOM 0 HA LEU A 172 5.582 15.763 3.970 1.00 1.90 H new ATOM 0 HB2 LEU A 172 8.055 16.807 5.402 1.00 2.16 H new ATOM 0 HB3 LEU A 172 6.487 17.577 5.542 1.00 2.16 H new ATOM 0 HG LEU A 172 7.078 14.709 6.304 1.00 1.79 H new ATOM 0 HD11 LEU A 172 6.879 15.607 8.665 1.00 2.30 H new ATOM 0 HD12 LEU A 172 8.213 16.390 7.785 1.00 2.30 H new ATOM 0 HD13 LEU A 172 6.666 17.244 8.000 1.00 2.30 H new ATOM 0 HD21 LEU A 172 4.916 14.775 7.503 1.00 2.13 H new ATOM 0 HD22 LEU A 172 4.618 16.408 6.863 1.00 2.13 H new ATOM 0 HD23 LEU A 172 4.712 15.020 5.753 1.00 2.13 H new