USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 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 176:sc= 2.25 USER MOD Set 1.2: A 105 SER OG : rot 139:sc= 1.14 USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 98 HIS : no HE2:sc= -1.19 K(o=0.58,f=-1.4) USER MOD Set 2.3: A 100 SER OG : rot -163:sc= 1.77 USER MOD Set 3.1: A 47 CYS SG : rot 180:sc= 1.16 USER MOD Set 3.2: A 51 CYS SG : rot 119:sc= 0.129 USER MOD Set 4.1: A 13 ASN : amide:sc= 0.789 K(o=1.9,f=-3) USER MOD Set 4.2: A 15 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -99:sc= 1.3 USER MOD Single : A 32 GLN : amide:sc= -0.14 K(o=-0.14,f=-2.8!) USER MOD Single : A 34 GLN : amide:sc= -0.616 K(o=-0.62,f=-4.7!) USER MOD Single : A 36 LYS NZ :NH3+ -169:sc= 0.733 (180deg=0.583) USER MOD Single : A 45 THR OG1 : rot 78:sc= 0.0607 USER MOD Single : A 53 THR OG1 : rot 82:sc= 1.08 USER MOD Single : A 54 THR OG1 : rot 33:sc= 1.27 USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.915 (180deg=-1.89!) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 1.29 (180deg=1.14) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.97) USER MOD Single : A 74 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.31) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 175:sc= 0.545 (180deg=0.23) USER MOD Single : A 107 SER OG : rot 180:sc= 0.02 USER MOD Single : A 116 GLN : amide:sc= 0.0328 K(o=0.033,f=-5.4!) USER MOD Single : A 117 THR OG1 : rot 89:sc= 0.32 USER MOD Single : A 122 TYR OH : rot -82:sc= 0.683 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 124 LYS NZ :NH3+ 179:sc= 1.05 (180deg=0.977) USER MOD Single : A 137 HIS : no HE2:sc= -0.715 X(o=-0.72,f=-0.94) USER MOD Single : A 138 THR OG1 : rot -103:sc= 1.31 USER MOD Single : A 140 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -143:sc= 2.06 (180deg=0.458) USER MOD Single : A 153 TYR OH : rot 5:sc= 1.23 USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 157 LYS NZ :NH3+ 174:sc= 0.39 (180deg=0.335) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.586 3.774 3.472 1.00 1.88 N ATOM 90 CA TYR A 7 15.715 2.311 3.621 1.00 1.73 C ATOM 91 C TYR A 7 14.880 1.529 2.585 1.00 1.84 C ATOM 92 O TYR A 7 15.046 0.324 2.436 1.00 2.02 O ATOM 93 CB TYR A 7 15.365 1.937 5.066 1.00 1.77 C ATOM 94 CG TYR A 7 15.603 0.486 5.470 1.00 1.64 C ATOM 95 CD1 TYR A 7 16.830 -0.160 5.204 1.00 2.32 C ATOM 96 CD2 TYR A 7 14.586 -0.216 6.141 1.00 2.47 C ATOM 97 CE1 TYR A 7 17.019 -1.507 5.579 1.00 2.75 C ATOM 98 CE2 TYR A 7 14.776 -1.554 6.539 1.00 2.74 C ATOM 99 CZ TYR A 7 15.985 -2.211 6.234 1.00 2.48 C ATOM 100 OH TYR A 7 16.131 -3.535 6.518 1.00 3.20 O ATOM 0 HA TYR A 7 16.746 2.022 3.416 1.00 1.73 H new ATOM 0 HB2 TYR A 7 15.943 2.576 5.733 1.00 1.77 H new ATOM 0 HB3 TYR A 7 14.313 2.170 5.233 1.00 1.77 H new ATOM 0 HD1 TYR A 7 17.626 0.379 4.712 1.00 2.32 H new ATOM 0 HD2 TYR A 7 13.648 0.276 6.354 1.00 2.47 H new ATOM 0 HE1 TYR A 7 17.956 -2.000 5.365 1.00 2.75 H new ATOM 0 HE2 TYR A 7 13.997 -2.075 7.076 1.00 2.74 H new ATOM 0 HH TYR A 7 15.326 -3.863 6.971 1.00 3.20 H new ATOM 110 N GLY A 8 14.003 2.216 1.850 1.00 1.66 N ATOM 111 CA GLY A 8 13.276 1.674 0.701 1.00 1.70 C ATOM 112 C GLY A 8 14.169 1.599 -0.544 1.00 1.98 C ATOM 113 O GLY A 8 15.314 1.150 -0.487 1.00 2.95 O ATOM 0 H GLY A 8 13.773 3.191 2.043 1.00 1.66 H new ATOM 0 HA2 GLY A 8 12.902 0.679 0.942 1.00 1.70 H new ATOM 0 HA3 GLY A 8 12.408 2.299 0.491 1.00 1.70 H new ATOM 117 N THR A 9 13.655 2.043 -1.693 1.00 1.38 N ATOM 118 CA THR A 9 14.445 2.231 -2.919 1.00 1.39 C ATOM 119 C THR A 9 13.982 3.514 -3.592 1.00 1.59 C ATOM 120 O THR A 9 12.836 3.624 -4.035 1.00 1.52 O ATOM 121 CB THR A 9 14.346 1.025 -3.860 1.00 1.50 C ATOM 122 OG1 THR A 9 14.534 -0.166 -3.128 1.00 1.53 O ATOM 123 CG2 THR A 9 15.412 1.081 -4.952 1.00 1.56 C ATOM 0 H THR A 9 12.670 2.285 -1.803 1.00 1.38 H new ATOM 0 HA THR A 9 15.500 2.314 -2.660 1.00 1.39 H new ATOM 0 HB THR A 9 13.358 1.048 -4.321 1.00 1.50 H new ATOM 0 HG1 THR A 9 14.469 -0.935 -3.732 1.00 1.53 H new ATOM 0 HG21 THR A 9 15.313 0.211 -5.602 1.00 1.56 H new ATOM 0 HG22 THR A 9 15.283 1.990 -5.540 1.00 1.56 H new ATOM 0 HG23 THR A 9 16.401 1.082 -4.495 1.00 1.56 H new ATOM 131 N ARG A 10 14.864 4.514 -3.615 1.00 1.70 N ATOM 132 CA ARG A 10 14.525 5.857 -4.077 1.00 1.82 C ATOM 133 C ARG A 10 14.621 5.981 -5.600 1.00 2.29 C ATOM 134 O ARG A 10 15.583 5.542 -6.224 1.00 2.58 O ATOM 135 CB ARG A 10 15.367 6.905 -3.332 1.00 1.90 C ATOM 136 CG ARG A 10 14.954 8.315 -3.767 1.00 2.31 C ATOM 137 CD ARG A 10 15.340 9.400 -2.758 1.00 2.13 C ATOM 138 NE ARG A 10 15.045 10.744 -3.296 1.00 2.59 N ATOM 139 CZ ARG A 10 13.845 11.248 -3.570 1.00 3.30 C ATOM 140 NH1 ARG A 10 12.724 10.629 -3.250 1.00 4.03 N ATOM 141 NH2 ARG A 10 13.757 12.409 -4.184 1.00 4.07 N ATOM 0 H ARG A 10 15.833 4.414 -3.313 1.00 1.70 H new ATOM 0 HA ARG A 10 13.480 6.052 -3.837 1.00 1.82 H new ATOM 0 HB2 ARG A 10 15.233 6.793 -2.256 1.00 1.90 H new ATOM 0 HB3 ARG A 10 16.425 6.747 -3.539 1.00 1.90 H new ATOM 0 HG2 ARG A 10 15.417 8.541 -4.727 1.00 2.31 H new ATOM 0 HG3 ARG A 10 13.875 8.339 -3.920 1.00 2.31 H new ATOM 0 HD2 ARG A 10 14.794 9.248 -1.827 1.00 2.13 H new ATOM 0 HD3 ARG A 10 16.401 9.323 -2.522 1.00 2.13 H new ATOM 0 HE ARG A 10 15.846 11.349 -3.476 1.00 2.59 H new ATOM 0 HH11 ARG A 10 12.757 9.728 -2.773 1.00 4.03 H new ATOM 0 HH12 ARG A 10 11.825 11.052 -3.479 1.00 4.03 H new ATOM 0 HH21 ARG A 10 14.604 12.913 -4.445 1.00 4.07 H new ATOM 0 HH22 ARG A 10 12.842 12.804 -4.399 1.00 4.07 H new ATOM 155 N LEU A 11 13.618 6.627 -6.198 1.00 1.91 N ATOM 156 CA LEU A 11 13.576 6.893 -7.633 1.00 1.94 C ATOM 157 C LEU A 11 14.451 8.105 -7.976 1.00 2.24 C ATOM 158 O LEU A 11 14.238 9.191 -7.442 1.00 2.39 O ATOM 159 CB LEU A 11 12.119 7.113 -8.081 1.00 1.66 C ATOM 160 CG LEU A 11 11.147 5.949 -7.795 1.00 1.67 C ATOM 161 CD1 LEU A 11 9.759 6.323 -8.328 1.00 1.55 C ATOM 162 CD2 LEU A 11 11.607 4.629 -8.433 1.00 1.95 C ATOM 0 H LEU A 11 12.806 6.982 -5.693 1.00 1.91 H new ATOM 0 HA LEU A 11 13.974 6.032 -8.170 1.00 1.94 H new ATOM 0 HB2 LEU A 11 11.739 8.009 -7.590 1.00 1.66 H new ATOM 0 HB3 LEU A 11 12.114 7.311 -9.153 1.00 1.66 H new ATOM 0 HG LEU A 11 11.120 5.791 -6.717 1.00 1.67 H new ATOM 0 HD11 LEU A 11 9.062 5.508 -8.132 1.00 1.55 H new ATOM 0 HD12 LEU A 11 9.409 7.227 -7.830 1.00 1.55 H new ATOM 0 HD13 LEU A 11 9.817 6.500 -9.402 1.00 1.55 H new ATOM 0 HD21 LEU A 11 10.888 3.843 -8.201 1.00 1.95 H new ATOM 0 HD22 LEU A 11 11.675 4.752 -9.514 1.00 1.95 H new ATOM 0 HD23 LEU A 11 12.585 4.355 -8.037 1.00 1.95 H new ATOM 174 N LEU A 12 15.394 7.929 -8.906 1.00 2.48 N ATOM 175 CA LEU A 12 16.153 9.015 -9.530 1.00 2.80 C ATOM 176 C LEU A 12 15.215 9.924 -10.337 1.00 2.73 C ATOM 177 O LEU A 12 15.276 11.141 -10.220 1.00 2.92 O ATOM 178 CB LEU A 12 17.263 8.344 -10.359 1.00 3.29 C ATOM 179 CG LEU A 12 18.283 9.289 -11.029 1.00 3.80 C ATOM 180 CD1 LEU A 12 19.554 8.485 -11.336 1.00 4.92 C ATOM 181 CD2 LEU A 12 17.756 9.890 -12.341 1.00 5.37 C ATOM 0 H LEU A 12 15.656 7.007 -9.253 1.00 2.48 H new ATOM 0 HA LEU A 12 16.618 9.682 -8.803 1.00 2.80 H new ATOM 0 HB2 LEU A 12 17.807 7.658 -9.710 1.00 3.29 H new ATOM 0 HB3 LEU A 12 16.793 7.742 -11.136 1.00 3.29 H new ATOM 0 HG LEU A 12 18.478 10.113 -10.343 1.00 3.80 H new ATOM 0 HD11 LEU A 12 20.290 9.134 -11.811 1.00 4.92 H new ATOM 0 HD12 LEU A 12 19.966 8.087 -10.408 1.00 4.92 H new ATOM 0 HD13 LEU A 12 19.310 7.661 -12.007 1.00 4.92 H new ATOM 0 HD21 LEU A 12 18.513 10.547 -12.770 1.00 5.37 H new ATOM 0 HD22 LEU A 12 17.531 9.088 -13.044 1.00 5.37 H new ATOM 0 HD23 LEU A 12 16.850 10.462 -12.141 1.00 5.37 H new ATOM 193 N ASN A 13 14.301 9.319 -11.102 1.00 2.51 N ATOM 194 CA ASN A 13 13.157 9.989 -11.717 1.00 2.31 C ATOM 195 C ASN A 13 11.872 9.721 -10.900 1.00 1.91 C ATOM 196 O ASN A 13 11.186 8.730 -11.175 1.00 1.86 O ATOM 197 CB ASN A 13 13.034 9.588 -13.207 1.00 2.60 C ATOM 198 CG ASN A 13 13.243 8.106 -13.524 1.00 4.19 C ATOM 199 OD1 ASN A 13 12.312 7.315 -13.636 1.00 5.45 O ATOM 200 ND2 ASN A 13 14.484 7.680 -13.700 1.00 4.92 N ATOM 0 H ASN A 13 14.340 8.322 -11.315 1.00 2.51 H new ATOM 0 HA ASN A 13 13.312 11.068 -11.701 1.00 2.31 H new ATOM 0 HB2 ASN A 13 12.044 9.878 -13.560 1.00 2.60 H new ATOM 0 HB3 ASN A 13 13.759 10.167 -13.779 1.00 2.60 H new ATOM 0 HD21 ASN A 13 14.660 6.701 -13.927 1.00 4.92 H new ATOM 0 HD22 ASN A 13 15.264 8.331 -13.609 1.00 4.92 H new ATOM 207 N PRO A 14 11.532 10.557 -9.892 1.00 1.74 N ATOM 208 CA PRO A 14 10.202 10.561 -9.284 1.00 1.40 C ATOM 209 C PRO A 14 9.200 11.053 -10.334 1.00 1.37 C ATOM 210 O PRO A 14 9.530 11.875 -11.186 1.00 1.91 O ATOM 211 CB PRO A 14 10.289 11.483 -8.067 1.00 1.70 C ATOM 212 CG PRO A 14 11.368 12.484 -8.478 1.00 2.22 C ATOM 213 CD PRO A 14 12.321 11.651 -9.335 1.00 2.24 C ATOM 0 HA PRO A 14 9.868 9.576 -8.958 1.00 1.40 H new ATOM 0 HB2 PRO A 14 9.338 11.975 -7.863 1.00 1.70 H new ATOM 0 HB3 PRO A 14 10.566 10.937 -7.165 1.00 1.70 H new ATOM 0 HG2 PRO A 14 10.948 13.318 -9.040 1.00 2.22 H new ATOM 0 HG3 PRO A 14 11.874 12.907 -7.610 1.00 2.22 H new ATOM 0 HD2 PRO A 14 12.758 12.257 -10.129 1.00 2.24 H new ATOM 0 HD3 PRO A 14 13.146 11.267 -8.735 1.00 2.24 H new ATOM 221 N LYS A 15 7.999 10.471 -10.341 1.00 0.95 N ATOM 222 CA LYS A 15 7.315 10.205 -11.612 1.00 1.02 C ATOM 223 C LYS A 15 5.796 10.048 -11.427 1.00 1.09 C ATOM 224 O LYS A 15 5.393 9.423 -10.444 1.00 1.19 O ATOM 225 CB LYS A 15 8.006 8.955 -12.182 1.00 1.41 C ATOM 226 CG LYS A 15 7.338 8.204 -13.339 1.00 1.50 C ATOM 227 CD LYS A 15 8.329 7.208 -13.963 1.00 2.72 C ATOM 228 CE LYS A 15 8.943 6.246 -12.930 1.00 3.68 C ATOM 229 NZ LYS A 15 10.105 5.522 -13.492 1.00 5.35 N ATOM 0 H LYS A 15 7.489 10.181 -9.506 1.00 0.95 H new ATOM 0 HA LYS A 15 7.397 11.038 -12.311 1.00 1.02 H new ATOM 0 HB2 LYS A 15 9.002 9.250 -12.512 1.00 1.41 H new ATOM 0 HB3 LYS A 15 8.138 8.248 -11.363 1.00 1.41 H new ATOM 0 HG2 LYS A 15 6.456 7.674 -12.978 1.00 1.50 H new ATOM 0 HG3 LYS A 15 6.998 8.912 -14.094 1.00 1.50 H new ATOM 0 HD2 LYS A 15 7.818 6.629 -14.732 1.00 2.72 H new ATOM 0 HD3 LYS A 15 9.128 7.760 -14.458 1.00 2.72 H new ATOM 0 HE2 LYS A 15 9.253 6.806 -12.048 1.00 3.68 H new ATOM 0 HE3 LYS A 15 8.189 5.530 -12.604 1.00 3.68 H new ATOM 0 HZ1 LYS A 15 10.359 4.733 -12.864 1.00 5.35 H new ATOM 0 HZ2 LYS A 15 9.861 5.151 -14.432 1.00 5.35 H new ATOM 0 HZ3 LYS A 15 10.912 6.172 -13.575 1.00 5.35 H new ATOM 243 N PRO A 16 4.959 10.647 -12.303 1.00 0.90 N ATOM 244 CA PRO A 16 3.511 10.693 -12.120 1.00 0.99 C ATOM 245 C PRO A 16 2.902 9.293 -12.179 1.00 1.16 C ATOM 246 O PRO A 16 3.413 8.436 -12.898 1.00 1.12 O ATOM 247 CB PRO A 16 2.964 11.624 -13.206 1.00 1.26 C ATOM 248 CG PRO A 16 4.031 11.561 -14.298 1.00 1.19 C ATOM 249 CD PRO A 16 5.327 11.374 -13.511 1.00 0.99 C ATOM 0 HA PRO A 16 3.245 11.076 -11.135 1.00 0.99 H new ATOM 0 HB2 PRO A 16 1.994 11.288 -13.572 1.00 1.26 H new ATOM 0 HB3 PRO A 16 2.829 12.640 -12.834 1.00 1.26 H new ATOM 0 HG2 PRO A 16 3.855 10.734 -14.986 1.00 1.19 H new ATOM 0 HG3 PRO A 16 4.051 12.473 -14.895 1.00 1.19 H new ATOM 0 HD2 PRO A 16 6.061 10.817 -14.094 1.00 0.99 H new ATOM 0 HD3 PRO A 16 5.778 12.336 -13.266 1.00 0.99 H new ATOM 257 N VAL A 17 1.827 9.085 -11.413 1.00 0.83 N ATOM 258 CA VAL A 17 1.075 7.829 -11.262 1.00 0.78 C ATOM 259 C VAL A 17 -0.372 8.132 -10.850 1.00 1.14 C ATOM 260 O VAL A 17 -0.645 9.153 -10.223 1.00 1.24 O ATOM 261 CB VAL A 17 1.682 6.860 -10.210 1.00 0.72 C ATOM 262 CG1 VAL A 17 3.098 6.380 -10.573 1.00 0.82 C ATOM 263 CG2 VAL A 17 1.701 7.448 -8.785 1.00 0.77 C ATOM 0 H VAL A 17 1.431 9.834 -10.845 1.00 0.83 H new ATOM 0 HA VAL A 17 1.122 7.337 -12.233 1.00 0.78 H new ATOM 0 HB VAL A 17 1.011 6.001 -10.224 1.00 0.72 H new ATOM 0 HG11 VAL A 17 3.464 5.707 -9.798 1.00 0.82 H new ATOM 0 HG12 VAL A 17 3.070 5.854 -11.527 1.00 0.82 H new ATOM 0 HG13 VAL A 17 3.764 7.239 -10.652 1.00 0.82 H new ATOM 0 HG21 VAL A 17 2.137 6.723 -8.098 1.00 0.77 H new ATOM 0 HG22 VAL A 17 2.298 8.360 -8.776 1.00 0.77 H new ATOM 0 HG23 VAL A 17 0.682 7.678 -8.472 1.00 0.77 H new ATOM 273 N ASP A 18 -1.269 7.194 -11.150 1.00 0.82 N ATOM 274 CA ASP A 18 -2.665 7.154 -10.715 1.00 0.79 C ATOM 275 C ASP A 18 -3.204 5.730 -10.938 1.00 1.05 C ATOM 276 O ASP A 18 -2.598 4.925 -11.647 1.00 1.51 O ATOM 277 CB ASP A 18 -3.502 8.239 -11.434 1.00 0.92 C ATOM 278 CG ASP A 18 -4.966 8.297 -10.980 1.00 1.18 C ATOM 279 OD1 ASP A 18 -5.273 8.881 -9.915 1.00 1.92 O ATOM 280 OD2 ASP A 18 -5.837 7.735 -11.678 1.00 2.04 O ATOM 0 H ASP A 18 -1.027 6.396 -11.737 1.00 0.82 H new ATOM 0 HA ASP A 18 -2.739 7.385 -9.652 1.00 0.79 H new ATOM 0 HB2 ASP A 18 -3.040 9.212 -11.264 1.00 0.92 H new ATOM 0 HB3 ASP A 18 -3.472 8.055 -12.508 1.00 0.92 H new ATOM 285 N PHE A 19 -4.346 5.418 -10.331 1.00 0.74 N ATOM 286 CA PHE A 19 -5.114 4.208 -10.576 1.00 0.73 C ATOM 287 C PHE A 19 -6.577 4.450 -10.202 1.00 1.47 C ATOM 288 O PHE A 19 -6.875 5.322 -9.387 1.00 1.64 O ATOM 289 CB PHE A 19 -4.500 3.005 -9.836 1.00 0.87 C ATOM 290 CG PHE A 19 -4.481 3.030 -8.311 1.00 1.06 C ATOM 291 CD1 PHE A 19 -5.670 2.820 -7.585 1.00 1.67 C ATOM 292 CD2 PHE A 19 -3.263 3.151 -7.610 1.00 2.29 C ATOM 293 CE1 PHE A 19 -5.644 2.731 -6.180 1.00 1.68 C ATOM 294 CE2 PHE A 19 -3.234 3.024 -6.208 1.00 2.29 C ATOM 295 CZ PHE A 19 -4.425 2.819 -5.493 1.00 1.50 C ATOM 0 H PHE A 19 -4.774 6.024 -9.631 1.00 0.74 H new ATOM 0 HA PHE A 19 -5.079 3.960 -11.637 1.00 0.73 H new ATOM 0 HB2 PHE A 19 -5.041 2.111 -10.148 1.00 0.87 H new ATOM 0 HB3 PHE A 19 -3.472 2.892 -10.180 1.00 0.87 H new ATOM 0 HD1 PHE A 19 -6.609 2.727 -8.110 1.00 1.67 H new ATOM 0 HD2 PHE A 19 -2.348 3.342 -8.151 1.00 2.29 H new ATOM 0 HE1 PHE A 19 -6.564 2.595 -5.631 1.00 1.68 H new ATOM 0 HE2 PHE A 19 -2.293 3.084 -5.681 1.00 2.29 H new ATOM 0 HZ PHE A 19 -4.402 2.729 -4.417 1.00 1.50 H new ATOM 305 N ALA A 20 -7.483 3.645 -10.765 1.00 0.63 N ATOM 306 CA ALA A 20 -8.881 3.560 -10.343 1.00 0.60 C ATOM 307 C ALA A 20 -9.146 2.191 -9.697 1.00 0.79 C ATOM 308 O ALA A 20 -8.802 1.172 -10.287 1.00 0.85 O ATOM 309 CB ALA A 20 -9.779 3.788 -11.564 1.00 0.69 C ATOM 0 H ALA A 20 -7.259 3.023 -11.542 1.00 0.63 H new ATOM 0 HA ALA A 20 -9.102 4.325 -9.599 1.00 0.60 H new ATOM 0 HB1 ALA A 20 -10.825 3.727 -11.263 1.00 0.69 H new ATOM 0 HB2 ALA A 20 -9.579 4.774 -11.984 1.00 0.69 H new ATOM 0 HB3 ALA A 20 -9.573 3.025 -12.315 1.00 0.69 H new ATOM 315 N LEU A 21 -9.749 2.172 -8.504 1.00 0.60 N ATOM 316 CA LEU A 21 -10.054 0.981 -7.709 1.00 0.61 C ATOM 317 C LEU A 21 -11.420 1.106 -7.027 1.00 0.95 C ATOM 318 O LEU A 21 -12.098 2.120 -7.182 1.00 1.09 O ATOM 319 CB LEU A 21 -8.948 0.787 -6.656 1.00 0.64 C ATOM 320 CG LEU A 21 -8.201 -0.551 -6.715 1.00 0.74 C ATOM 321 CD1 LEU A 21 -9.096 -1.782 -6.489 1.00 1.18 C ATOM 322 CD2 LEU A 21 -7.447 -0.722 -8.035 1.00 1.11 C ATOM 0 H LEU A 21 -10.052 3.031 -8.045 1.00 0.60 H new ATOM 0 HA LEU A 21 -10.094 0.115 -8.369 1.00 0.61 H new ATOM 0 HB2 LEU A 21 -8.222 1.593 -6.766 1.00 0.64 H new ATOM 0 HB3 LEU A 21 -9.392 0.891 -5.666 1.00 0.64 H new ATOM 0 HG LEU A 21 -7.496 -0.503 -5.885 1.00 0.74 H new ATOM 0 HD11 LEU A 21 -8.491 -2.687 -6.547 1.00 1.18 H new ATOM 0 HD12 LEU A 21 -9.561 -1.718 -5.505 1.00 1.18 H new ATOM 0 HD13 LEU A 21 -9.871 -1.814 -7.255 1.00 1.18 H new ATOM 0 HD21 LEU A 21 -6.931 -1.682 -8.038 1.00 1.11 H new ATOM 0 HD22 LEU A 21 -8.153 -0.687 -8.865 1.00 1.11 H new ATOM 0 HD23 LEU A 21 -6.719 0.082 -8.145 1.00 1.11 H new ATOM 334 N GLU A 22 -11.806 0.097 -6.253 1.00 0.86 N ATOM 335 CA GLU A 22 -13.142 -0.052 -5.698 1.00 0.73 C ATOM 336 C GLU A 22 -13.068 -0.471 -4.227 1.00 1.05 C ATOM 337 O GLU A 22 -12.237 -1.294 -3.853 1.00 1.23 O ATOM 338 CB GLU A 22 -13.847 -1.070 -6.594 1.00 0.71 C ATOM 339 CG GLU A 22 -15.318 -1.295 -6.271 1.00 1.46 C ATOM 340 CD GLU A 22 -16.030 -1.773 -7.532 1.00 2.05 C ATOM 341 OE1 GLU A 22 -15.604 -2.809 -8.095 1.00 2.53 O ATOM 342 OE2 GLU A 22 -16.945 -1.044 -7.962 1.00 3.17 O ATOM 0 H GLU A 22 -11.177 -0.661 -5.988 1.00 0.86 H new ATOM 0 HA GLU A 22 -13.706 0.881 -5.690 1.00 0.73 H new ATOM 0 HB2 GLU A 22 -13.763 -0.741 -7.630 1.00 0.71 H new ATOM 0 HB3 GLU A 22 -13.323 -2.023 -6.519 1.00 0.71 H new ATOM 0 HG2 GLU A 22 -15.421 -2.034 -5.476 1.00 1.46 H new ATOM 0 HG3 GLU A 22 -15.770 -0.372 -5.909 1.00 1.46 H new ATOM 349 N GLY A 23 -13.891 0.150 -3.379 1.00 0.72 N ATOM 350 CA GLY A 23 -13.987 -0.122 -1.943 1.00 0.68 C ATOM 351 C GLY A 23 -15.438 -0.319 -1.489 1.00 0.83 C ATOM 352 O GLY A 23 -16.359 -0.123 -2.284 1.00 0.96 O ATOM 0 H GLY A 23 -14.532 0.882 -3.684 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -13.409 -1.014 -1.704 1.00 0.68 H new ATOM 0 HA3 GLY A 23 -13.543 0.704 -1.388 1.00 0.68 H new ATOM 356 N PRO A 24 -15.676 -0.647 -0.205 1.00 0.70 N ATOM 357 CA PRO A 24 -17.011 -0.949 0.321 1.00 0.88 C ATOM 358 C PRO A 24 -17.985 0.247 0.358 1.00 1.16 C ATOM 359 O PRO A 24 -19.119 0.078 0.790 1.00 1.22 O ATOM 360 CB PRO A 24 -16.761 -1.548 1.709 1.00 1.05 C ATOM 361 CG PRO A 24 -15.432 -0.938 2.145 1.00 0.90 C ATOM 362 CD PRO A 24 -14.662 -0.825 0.830 1.00 0.69 C ATOM 0 HA PRO A 24 -17.528 -1.639 -0.346 1.00 0.88 H new ATOM 0 HB2 PRO A 24 -17.563 -1.294 2.403 1.00 1.05 H new ATOM 0 HB3 PRO A 24 -16.706 -2.636 1.669 1.00 1.05 H new ATOM 0 HG2 PRO A 24 -15.569 0.034 2.618 1.00 0.90 H new ATOM 0 HG3 PRO A 24 -14.913 -1.572 2.864 1.00 0.90 H new ATOM 0 HD2 PRO A 24 -13.972 0.018 0.851 1.00 0.69 H new ATOM 0 HD3 PRO A 24 -14.067 -1.720 0.646 1.00 0.69 H new ATOM 370 N GLN A 25 -17.582 1.439 -0.103 1.00 1.12 N ATOM 371 CA GLN A 25 -18.452 2.613 -0.232 1.00 1.20 C ATOM 372 C GLN A 25 -18.513 3.148 -1.681 1.00 1.22 C ATOM 373 O GLN A 25 -19.070 4.223 -1.902 1.00 1.53 O ATOM 374 CB GLN A 25 -17.966 3.691 0.760 1.00 1.39 C ATOM 375 CG GLN A 25 -19.116 4.574 1.269 1.00 2.39 C ATOM 376 CD GLN A 25 -18.603 5.748 2.097 1.00 2.94 C ATOM 377 OE1 GLN A 25 -18.261 5.622 3.261 1.00 3.00 O ATOM 378 NE2 GLN A 25 -18.508 6.935 1.530 1.00 4.18 N ATOM 0 H GLN A 25 -16.623 1.616 -0.402 1.00 1.12 H new ATOM 0 HA GLN A 25 -19.475 2.325 0.011 1.00 1.20 H new ATOM 0 HB2 GLN A 25 -17.478 3.209 1.607 1.00 1.39 H new ATOM 0 HB3 GLN A 25 -17.217 4.317 0.275 1.00 1.39 H new ATOM 0 HG2 GLN A 25 -19.689 4.950 0.421 1.00 2.39 H new ATOM 0 HG3 GLN A 25 -19.796 3.973 1.872 1.00 2.39 H new ATOM 0 HE21 GLN A 25 -18.789 7.060 0.557 1.00 4.18 H new ATOM 0 HE22 GLN A 25 -18.153 7.728 2.064 1.00 4.18 H new ATOM 387 N GLY A 26 -17.940 2.439 -2.668 1.00 0.88 N ATOM 388 CA GLY A 26 -17.897 2.856 -4.075 1.00 0.86 C ATOM 389 C GLY A 26 -16.481 2.931 -4.676 1.00 0.93 C ATOM 390 O GLY A 26 -15.500 2.578 -4.011 1.00 1.06 O ATOM 0 H GLY A 26 -17.485 1.541 -2.504 1.00 0.88 H new ATOM 0 HA2 GLY A 26 -18.492 2.160 -4.666 1.00 0.86 H new ATOM 0 HA3 GLY A 26 -18.369 3.835 -4.165 1.00 0.86 H new ATOM 394 N PRO A 27 -16.373 3.347 -5.953 1.00 0.79 N ATOM 395 CA PRO A 27 -15.113 3.475 -6.676 1.00 0.93 C ATOM 396 C PRO A 27 -14.314 4.716 -6.254 1.00 1.10 C ATOM 397 O PRO A 27 -14.872 5.747 -5.883 1.00 1.03 O ATOM 398 CB PRO A 27 -15.495 3.522 -8.157 1.00 0.99 C ATOM 399 CG PRO A 27 -16.877 4.177 -8.134 1.00 0.92 C ATOM 400 CD PRO A 27 -17.489 3.628 -6.846 1.00 0.81 C ATOM 0 HA PRO A 27 -14.451 2.637 -6.456 1.00 0.93 H new ATOM 0 HB2 PRO A 27 -14.782 4.105 -8.740 1.00 0.99 H new ATOM 0 HB3 PRO A 27 -15.528 2.525 -8.597 1.00 0.99 H new ATOM 0 HG2 PRO A 27 -16.809 5.265 -8.118 1.00 0.92 H new ATOM 0 HG3 PRO A 27 -17.467 3.907 -9.010 1.00 0.92 H new ATOM 0 HD2 PRO A 27 -18.172 4.352 -6.400 1.00 0.81 H new ATOM 0 HD3 PRO A 27 -18.066 2.725 -7.044 1.00 0.81 H new ATOM 408 N VAL A 28 -12.987 4.615 -6.354 1.00 0.80 N ATOM 409 CA VAL A 28 -12.006 5.646 -6.014 1.00 0.95 C ATOM 410 C VAL A 28 -10.980 5.836 -7.133 1.00 1.32 C ATOM 411 O VAL A 28 -10.837 4.986 -8.011 1.00 1.51 O ATOM 412 CB VAL A 28 -11.259 5.299 -4.703 1.00 1.12 C ATOM 413 CG1 VAL A 28 -12.202 5.219 -3.492 1.00 2.07 C ATOM 414 CG2 VAL A 28 -10.409 4.019 -4.773 1.00 2.65 C ATOM 0 H VAL A 28 -12.543 3.762 -6.694 1.00 0.80 H new ATOM 0 HA VAL A 28 -12.562 6.574 -5.879 1.00 0.95 H new ATOM 0 HB VAL A 28 -10.571 6.134 -4.571 1.00 1.12 H new ATOM 0 HG11 VAL A 28 -11.627 4.973 -2.599 1.00 2.07 H new ATOM 0 HG12 VAL A 28 -12.697 6.180 -3.352 1.00 2.07 H new ATOM 0 HG13 VAL A 28 -12.952 4.447 -3.665 1.00 2.07 H new ATOM 0 HG21 VAL A 28 -9.922 3.853 -3.812 1.00 2.65 H new ATOM 0 HG22 VAL A 28 -11.050 3.169 -5.007 1.00 2.65 H new ATOM 0 HG23 VAL A 28 -9.652 4.127 -5.550 1.00 2.65 H new ATOM 424 N ARG A 29 -10.204 6.920 -7.039 1.00 0.84 N ATOM 425 CA ARG A 29 -8.923 7.051 -7.735 1.00 0.72 C ATOM 426 C ARG A 29 -7.819 7.480 -6.766 1.00 1.11 C ATOM 427 O ARG A 29 -8.106 8.113 -5.752 1.00 1.34 O ATOM 428 CB ARG A 29 -9.006 8.045 -8.904 1.00 0.83 C ATOM 429 CG ARG A 29 -9.941 7.582 -10.032 1.00 0.96 C ATOM 430 CD ARG A 29 -9.703 8.353 -11.338 1.00 1.59 C ATOM 431 NE ARG A 29 -8.551 7.814 -12.088 1.00 2.88 N ATOM 432 CZ ARG A 29 -8.536 7.139 -13.233 1.00 4.04 C ATOM 433 NH1 ARG A 29 -9.619 6.907 -13.940 1.00 4.45 N ATOM 434 NH2 ARG A 29 -7.394 6.679 -13.689 1.00 5.51 N ATOM 0 H ARG A 29 -10.449 7.734 -6.475 1.00 0.84 H new ATOM 0 HA ARG A 29 -8.680 6.070 -8.143 1.00 0.72 H new ATOM 0 HB2 ARG A 29 -9.351 9.008 -8.528 1.00 0.83 H new ATOM 0 HB3 ARG A 29 -8.007 8.201 -9.311 1.00 0.83 H new ATOM 0 HG2 ARG A 29 -9.793 6.517 -10.209 1.00 0.96 H new ATOM 0 HG3 ARG A 29 -10.977 7.712 -9.719 1.00 0.96 H new ATOM 0 HD2 ARG A 29 -10.597 8.302 -11.959 1.00 1.59 H new ATOM 0 HD3 ARG A 29 -9.531 9.406 -11.113 1.00 1.59 H new ATOM 0 HE ARG A 29 -7.637 7.984 -11.668 1.00 2.88 H new ATOM 0 HH11 ARG A 29 -10.523 7.250 -13.616 1.00 4.45 H new ATOM 0 HH12 ARG A 29 -9.556 6.384 -14.813 1.00 4.45 H new ATOM 0 HH21 ARG A 29 -6.533 6.841 -13.166 1.00 5.51 H new ATOM 0 HH22 ARG A 29 -7.367 6.159 -14.566 1.00 5.51 H new ATOM 448 N LEU A 30 -6.560 7.171 -7.093 1.00 0.60 N ATOM 449 CA LEU A 30 -5.380 7.642 -6.347 1.00 0.67 C ATOM 450 C LEU A 30 -5.407 9.175 -6.213 1.00 0.97 C ATOM 451 O LEU A 30 -5.157 9.729 -5.147 1.00 1.13 O ATOM 452 CB LEU A 30 -4.110 7.167 -7.085 1.00 0.74 C ATOM 453 CG LEU A 30 -3.010 6.569 -6.188 1.00 1.28 C ATOM 454 CD1 LEU A 30 -1.769 6.308 -7.054 1.00 2.51 C ATOM 455 CD2 LEU A 30 -2.613 7.437 -4.991 1.00 1.74 C ATOM 0 H LEU A 30 -6.325 6.581 -7.891 1.00 0.60 H new ATOM 0 HA LEU A 30 -5.385 7.228 -5.339 1.00 0.67 H new ATOM 0 HB2 LEU A 30 -4.398 6.420 -7.825 1.00 0.74 H new ATOM 0 HB3 LEU A 30 -3.690 8.012 -7.631 1.00 0.74 H new ATOM 0 HG LEU A 30 -3.422 5.654 -5.763 1.00 1.28 H new ATOM 0 HD11 LEU A 30 -0.977 5.884 -6.437 1.00 2.51 H new ATOM 0 HD12 LEU A 30 -2.022 5.609 -7.851 1.00 2.51 H new ATOM 0 HD13 LEU A 30 -1.426 7.246 -7.490 1.00 2.51 H new ATOM 0 HD21 LEU A 30 -1.833 6.934 -4.419 1.00 1.74 H new ATOM 0 HD22 LEU A 30 -2.240 8.398 -5.346 1.00 1.74 H new ATOM 0 HD23 LEU A 30 -3.483 7.599 -4.354 1.00 1.74 H new ATOM 467 N SER A 31 -5.846 9.848 -7.273 1.00 0.73 N ATOM 468 CA SER A 31 -6.105 11.286 -7.325 1.00 0.87 C ATOM 469 C SER A 31 -7.245 11.826 -6.425 1.00 1.12 C ATOM 470 O SER A 31 -7.550 13.014 -6.486 1.00 1.52 O ATOM 471 CB SER A 31 -6.261 11.740 -8.788 1.00 1.11 C ATOM 472 OG SER A 31 -7.009 10.818 -9.578 1.00 1.42 O ATOM 0 H SER A 31 -6.040 9.385 -8.161 1.00 0.73 H new ATOM 0 HA SER A 31 -5.221 11.742 -6.878 1.00 0.87 H new ATOM 0 HB2 SER A 31 -6.752 12.713 -8.811 1.00 1.11 H new ATOM 0 HB3 SER A 31 -5.273 11.871 -9.230 1.00 1.11 H new ATOM 0 HG SER A 31 -6.394 10.250 -10.087 1.00 1.42 H new ATOM 478 N GLN A 32 -7.836 11.033 -5.526 1.00 0.82 N ATOM 479 CA GLN A 32 -8.593 11.575 -4.386 1.00 0.92 C ATOM 480 C GLN A 32 -7.680 12.095 -3.267 1.00 1.31 C ATOM 481 O GLN A 32 -8.145 12.818 -2.389 1.00 1.44 O ATOM 482 CB GLN A 32 -9.502 10.488 -3.803 1.00 1.05 C ATOM 483 CG GLN A 32 -10.679 10.150 -4.722 1.00 1.24 C ATOM 484 CD GLN A 32 -11.551 9.043 -4.147 1.00 2.32 C ATOM 485 OE1 GLN A 32 -11.176 8.287 -3.268 1.00 3.96 O ATOM 486 NE2 GLN A 32 -12.748 8.865 -4.660 1.00 2.91 N ATOM 0 H GLN A 32 -7.807 10.014 -5.563 1.00 0.82 H new ATOM 0 HA GLN A 32 -9.178 12.413 -4.766 1.00 0.92 H new ATOM 0 HB2 GLN A 32 -8.916 9.587 -3.623 1.00 1.05 H new ATOM 0 HB3 GLN A 32 -9.883 10.818 -2.837 1.00 1.05 H new ATOM 0 HG2 GLN A 32 -11.284 11.043 -4.880 1.00 1.24 H new ATOM 0 HG3 GLN A 32 -10.301 9.844 -5.698 1.00 1.24 H new ATOM 0 HE21 GLN A 32 -13.084 9.485 -5.397 1.00 2.91 H new ATOM 0 HE22 GLN A 32 -13.341 8.107 -4.321 1.00 2.91 H new ATOM 495 N PHE A 33 -6.398 11.719 -3.280 1.00 0.85 N ATOM 496 CA PHE A 33 -5.443 11.940 -2.198 1.00 0.96 C ATOM 497 C PHE A 33 -4.247 12.807 -2.656 1.00 2.05 C ATOM 498 O PHE A 33 -3.178 12.733 -2.055 1.00 2.53 O ATOM 499 CB PHE A 33 -5.034 10.552 -1.664 1.00 1.19 C ATOM 500 CG PHE A 33 -6.206 9.632 -1.327 1.00 0.98 C ATOM 501 CD1 PHE A 33 -6.987 9.880 -0.182 1.00 1.90 C ATOM 502 CD2 PHE A 33 -6.562 8.574 -2.190 1.00 2.21 C ATOM 503 CE1 PHE A 33 -8.123 9.093 0.088 1.00 1.96 C ATOM 504 CE2 PHE A 33 -7.701 7.787 -1.925 1.00 2.09 C ATOM 505 CZ PHE A 33 -8.480 8.051 -0.786 1.00 1.23 C ATOM 0 H PHE A 33 -5.984 11.234 -4.076 1.00 0.85 H new ATOM 0 HA PHE A 33 -5.893 12.515 -1.389 1.00 0.96 H new ATOM 0 HB2 PHE A 33 -4.406 10.061 -2.407 1.00 1.19 H new ATOM 0 HB3 PHE A 33 -4.425 10.686 -0.770 1.00 1.19 H new ATOM 0 HD1 PHE A 33 -6.713 10.678 0.493 1.00 1.90 H new ATOM 0 HD2 PHE A 33 -5.957 8.366 -3.060 1.00 2.21 H new ATOM 0 HE1 PHE A 33 -8.720 9.290 0.966 1.00 1.96 H new ATOM 0 HE2 PHE A 33 -7.974 6.985 -2.595 1.00 2.09 H new ATOM 0 HZ PHE A 33 -9.355 7.452 -0.581 1.00 1.23 H new ATOM 515 N GLN A 34 -4.434 13.596 -3.731 1.00 0.86 N ATOM 516 CA GLN A 34 -3.422 14.412 -4.429 1.00 1.17 C ATOM 517 C GLN A 34 -2.531 15.246 -3.504 1.00 1.18 C ATOM 518 O GLN A 34 -1.332 14.998 -3.431 1.00 1.77 O ATOM 519 CB GLN A 34 -4.120 15.358 -5.434 1.00 1.79 C ATOM 520 CG GLN A 34 -4.587 14.693 -6.731 1.00 1.55 C ATOM 521 CD GLN A 34 -3.441 14.118 -7.556 1.00 1.77 C ATOM 522 OE1 GLN A 34 -3.351 12.923 -7.772 1.00 2.85 O ATOM 523 NE2 GLN A 34 -2.513 14.930 -8.009 1.00 2.42 N ATOM 0 H GLN A 34 -5.354 13.686 -4.162 1.00 0.86 H new ATOM 0 HA GLN A 34 -2.767 13.701 -4.933 1.00 1.17 H new ATOM 0 HB2 GLN A 34 -4.982 15.811 -4.945 1.00 1.79 H new ATOM 0 HB3 GLN A 34 -3.434 16.167 -5.685 1.00 1.79 H new ATOM 0 HG2 GLN A 34 -5.289 13.895 -6.490 1.00 1.55 H new ATOM 0 HG3 GLN A 34 -5.128 15.424 -7.332 1.00 1.55 H new ATOM 0 HE21 GLN A 34 -2.582 15.932 -7.832 1.00 2.42 H new ATOM 0 HE22 GLN A 34 -1.724 14.558 -8.538 1.00 2.42 H new ATOM 532 N ASP A 35 -3.095 16.229 -2.804 1.00 1.17 N ATOM 533 CA ASP A 35 -2.399 17.196 -1.935 1.00 1.33 C ATOM 534 C ASP A 35 -1.761 16.564 -0.678 1.00 1.36 C ATOM 535 O ASP A 35 -1.288 17.253 0.225 1.00 1.69 O ATOM 536 CB ASP A 35 -3.434 18.263 -1.520 1.00 1.67 C ATOM 537 CG ASP A 35 -4.261 18.793 -2.699 1.00 3.00 C ATOM 538 OD1 ASP A 35 -5.241 18.094 -3.059 1.00 3.95 O ATOM 539 OD2 ASP A 35 -3.911 19.868 -3.236 1.00 4.25 O ATOM 0 H ASP A 35 -4.103 16.387 -2.824 1.00 1.17 H new ATOM 0 HA ASP A 35 -1.568 17.622 -2.497 1.00 1.33 H new ATOM 0 HB2 ASP A 35 -4.106 17.837 -0.775 1.00 1.67 H new ATOM 0 HB3 ASP A 35 -2.917 19.096 -1.044 1.00 1.67 H new ATOM 544 N LYS A 36 -1.816 15.235 -0.577 1.00 1.14 N ATOM 545 CA LYS A 36 -1.654 14.445 0.638 1.00 1.14 C ATOM 546 C LYS A 36 -0.799 13.181 0.407 1.00 1.22 C ATOM 547 O LYS A 36 -0.288 12.932 -0.683 1.00 1.38 O ATOM 548 CB LYS A 36 -3.039 14.223 1.239 1.00 1.63 C ATOM 549 CG LYS A 36 -3.389 15.484 2.027 1.00 2.27 C ATOM 550 CD LYS A 36 -4.609 15.118 2.823 1.00 1.78 C ATOM 551 CE LYS A 36 -5.262 16.383 3.354 1.00 2.30 C ATOM 552 NZ LYS A 36 -4.509 16.963 4.494 1.00 2.62 N ATOM 0 H LYS A 36 -1.986 14.648 -1.394 1.00 1.14 H new ATOM 0 HA LYS A 36 -1.066 14.980 1.384 1.00 1.14 H new ATOM 0 HB2 LYS A 36 -3.775 14.041 0.456 1.00 1.63 H new ATOM 0 HB3 LYS A 36 -3.042 13.348 1.889 1.00 1.63 H new ATOM 0 HG2 LYS A 36 -2.568 15.783 2.678 1.00 2.27 H new ATOM 0 HG3 LYS A 36 -3.589 16.323 1.361 1.00 2.27 H new ATOM 0 HD2 LYS A 36 -5.312 14.567 2.199 1.00 1.78 H new ATOM 0 HD3 LYS A 36 -4.335 14.462 3.649 1.00 1.78 H new ATOM 0 HE2 LYS A 36 -5.330 17.119 2.553 1.00 2.30 H new ATOM 0 HE3 LYS A 36 -6.281 16.160 3.669 1.00 2.30 H new ATOM 0 HZ1 LYS A 36 -5.079 17.708 4.943 1.00 2.62 H new ATOM 0 HZ2 LYS A 36 -4.304 16.218 5.190 1.00 2.62 H new ATOM 0 HZ3 LYS A 36 -3.616 17.370 4.149 1.00 2.62 H new ATOM 566 N VAL A 37 -0.563 12.410 1.464 1.00 1.03 N ATOM 567 CA VAL A 37 0.427 11.330 1.532 1.00 1.02 C ATOM 568 C VAL A 37 -0.319 10.004 1.620 1.00 1.38 C ATOM 569 O VAL A 37 -1.177 9.825 2.483 1.00 1.77 O ATOM 570 CB VAL A 37 1.354 11.508 2.758 1.00 1.06 C ATOM 571 CG1 VAL A 37 2.450 10.433 2.793 1.00 1.24 C ATOM 572 CG2 VAL A 37 2.026 12.892 2.791 1.00 1.22 C ATOM 0 H VAL A 37 -1.077 12.523 2.338 1.00 1.03 H new ATOM 0 HA VAL A 37 1.054 11.351 0.641 1.00 1.02 H new ATOM 0 HB VAL A 37 0.710 11.410 3.632 1.00 1.06 H new ATOM 0 HG11 VAL A 37 3.083 10.587 3.667 1.00 1.24 H new ATOM 0 HG12 VAL A 37 1.990 9.446 2.848 1.00 1.24 H new ATOM 0 HG13 VAL A 37 3.056 10.501 1.889 1.00 1.24 H new ATOM 0 HG21 VAL A 37 2.665 12.965 3.671 1.00 1.22 H new ATOM 0 HG22 VAL A 37 2.628 13.026 1.892 1.00 1.22 H new ATOM 0 HG23 VAL A 37 1.261 13.667 2.833 1.00 1.22 H new ATOM 582 N VAL A 38 0.026 9.081 0.721 1.00 0.68 N ATOM 583 CA VAL A 38 -0.528 7.721 0.671 1.00 0.59 C ATOM 584 C VAL A 38 0.578 6.678 0.834 1.00 0.91 C ATOM 585 O VAL A 38 1.591 6.719 0.126 1.00 0.84 O ATOM 586 CB VAL A 38 -1.294 7.451 -0.646 1.00 0.70 C ATOM 587 CG1 VAL A 38 -2.008 6.092 -0.602 1.00 1.02 C ATOM 588 CG2 VAL A 38 -2.354 8.532 -0.923 1.00 1.07 C ATOM 0 H VAL A 38 0.714 9.259 -0.011 1.00 0.68 H new ATOM 0 HA VAL A 38 -1.233 7.641 1.498 1.00 0.59 H new ATOM 0 HB VAL A 38 -0.547 7.460 -1.440 1.00 0.70 H new ATOM 0 HG11 VAL A 38 -2.538 5.929 -1.540 1.00 1.02 H new ATOM 0 HG12 VAL A 38 -1.274 5.300 -0.458 1.00 1.02 H new ATOM 0 HG13 VAL A 38 -2.720 6.082 0.223 1.00 1.02 H new ATOM 0 HG21 VAL A 38 -2.869 8.306 -1.856 1.00 1.07 H new ATOM 0 HG22 VAL A 38 -3.075 8.552 -0.106 1.00 1.07 H new ATOM 0 HG23 VAL A 38 -1.869 9.505 -1.003 1.00 1.07 H new ATOM 598 N LEU A 39 0.336 5.718 1.737 1.00 0.66 N ATOM 599 CA LEU A 39 1.067 4.451 1.860 1.00 0.75 C ATOM 600 C LEU A 39 0.275 3.314 1.196 1.00 1.10 C ATOM 601 O LEU A 39 -0.799 2.939 1.665 1.00 1.19 O ATOM 602 CB LEU A 39 1.285 4.148 3.355 1.00 0.88 C ATOM 603 CG LEU A 39 2.414 4.983 3.982 1.00 1.14 C ATOM 604 CD1 LEU A 39 2.249 5.010 5.510 1.00 1.90 C ATOM 605 CD2 LEU A 39 3.793 4.420 3.604 1.00 1.30 C ATOM 0 H LEU A 39 -0.406 5.808 2.431 1.00 0.66 H new ATOM 0 HA LEU A 39 2.031 4.532 1.358 1.00 0.75 H new ATOM 0 HB2 LEU A 39 0.358 4.337 3.897 1.00 0.88 H new ATOM 0 HB3 LEU A 39 1.515 3.089 3.475 1.00 0.88 H new ATOM 0 HG LEU A 39 2.350 6.000 3.594 1.00 1.14 H new ATOM 0 HD11 LEU A 39 3.050 5.602 5.952 1.00 1.90 H new ATOM 0 HD12 LEU A 39 1.287 5.454 5.764 1.00 1.90 H new ATOM 0 HD13 LEU A 39 2.293 3.993 5.899 1.00 1.90 H new ATOM 0 HD21 LEU A 39 4.573 5.030 4.061 1.00 1.30 H new ATOM 0 HD22 LEU A 39 3.878 3.394 3.962 1.00 1.30 H new ATOM 0 HD23 LEU A 39 3.908 4.436 2.520 1.00 1.30 H new ATOM 617 N LEU A 40 0.814 2.762 0.104 1.00 0.72 N ATOM 618 CA LEU A 40 0.186 1.687 -0.677 1.00 0.69 C ATOM 619 C LEU A 40 0.777 0.323 -0.301 1.00 1.13 C ATOM 620 O LEU A 40 1.998 0.191 -0.244 1.00 1.36 O ATOM 621 CB LEU A 40 0.402 1.966 -2.185 1.00 0.77 C ATOM 622 CG LEU A 40 -0.862 2.138 -3.044 1.00 0.85 C ATOM 623 CD1 LEU A 40 -1.758 0.896 -3.024 1.00 1.88 C ATOM 624 CD2 LEU A 40 -1.640 3.389 -2.637 1.00 2.14 C ATOM 0 H LEU A 40 1.717 3.054 -0.270 1.00 0.72 H new ATOM 0 HA LEU A 40 -0.881 1.662 -0.456 1.00 0.69 H new ATOM 0 HB2 LEU A 40 1.004 2.870 -2.281 1.00 0.77 H new ATOM 0 HB3 LEU A 40 0.988 1.147 -2.602 1.00 0.77 H new ATOM 0 HG LEU A 40 -0.528 2.266 -4.074 1.00 0.85 H new ATOM 0 HD11 LEU A 40 -2.636 1.071 -3.646 1.00 1.88 H new ATOM 0 HD12 LEU A 40 -1.203 0.041 -3.411 1.00 1.88 H new ATOM 0 HD13 LEU A 40 -2.073 0.691 -2.001 1.00 1.88 H new ATOM 0 HD21 LEU A 40 -2.528 3.484 -3.262 1.00 2.14 H new ATOM 0 HD22 LEU A 40 -1.938 3.308 -1.592 1.00 2.14 H new ATOM 0 HD23 LEU A 40 -1.009 4.268 -2.767 1.00 2.14 H new ATOM 636 N PHE A 41 -0.067 -0.700 -0.119 1.00 0.69 N ATOM 637 CA PHE A 41 0.362 -2.088 0.100 1.00 0.70 C ATOM 638 C PHE A 41 -0.556 -3.108 -0.607 1.00 1.40 C ATOM 639 O PHE A 41 -1.784 -3.079 -0.458 1.00 1.73 O ATOM 640 CB PHE A 41 0.471 -2.337 1.615 1.00 0.70 C ATOM 641 CG PHE A 41 0.923 -3.719 2.068 1.00 0.87 C ATOM 642 CD1 PHE A 41 1.914 -4.440 1.369 1.00 1.62 C ATOM 643 CD2 PHE A 41 0.378 -4.267 3.246 1.00 2.25 C ATOM 644 CE1 PHE A 41 2.339 -5.697 1.835 1.00 1.65 C ATOM 645 CE2 PHE A 41 0.800 -5.525 3.713 1.00 2.18 C ATOM 646 CZ PHE A 41 1.786 -6.239 3.010 1.00 1.15 C ATOM 0 H PHE A 41 -1.081 -0.586 -0.120 1.00 0.69 H new ATOM 0 HA PHE A 41 1.342 -2.235 -0.353 1.00 0.70 H new ATOM 0 HB2 PHE A 41 1.164 -1.604 2.028 1.00 0.70 H new ATOM 0 HB3 PHE A 41 -0.504 -2.139 2.060 1.00 0.70 H new ATOM 0 HD1 PHE A 41 2.348 -4.025 0.472 1.00 1.62 H new ATOM 0 HD2 PHE A 41 -0.371 -3.716 3.796 1.00 2.25 H new ATOM 0 HE1 PHE A 41 3.091 -6.248 1.290 1.00 1.65 H new ATOM 0 HE2 PHE A 41 0.367 -5.942 4.610 1.00 2.18 H new ATOM 0 HZ PHE A 41 2.118 -7.201 3.371 1.00 1.15 H new ATOM 656 N PHE A 42 0.072 -4.005 -1.382 1.00 0.77 N ATOM 657 CA PHE A 42 -0.582 -5.069 -2.156 1.00 0.81 C ATOM 658 C PHE A 42 -0.483 -6.422 -1.445 1.00 1.95 C ATOM 659 O PHE A 42 0.610 -6.945 -1.215 1.00 2.34 O ATOM 660 CB PHE A 42 0.060 -5.171 -3.547 1.00 0.85 C ATOM 661 CG PHE A 42 -0.228 -3.984 -4.437 1.00 0.85 C ATOM 662 CD1 PHE A 42 0.555 -2.822 -4.323 1.00 2.19 C ATOM 663 CD2 PHE A 42 -1.291 -4.028 -5.361 1.00 2.03 C ATOM 664 CE1 PHE A 42 0.271 -1.705 -5.119 1.00 2.06 C ATOM 665 CE2 PHE A 42 -1.561 -2.912 -6.173 1.00 2.01 C ATOM 666 CZ PHE A 42 -0.784 -1.750 -6.048 1.00 0.98 C ATOM 0 H PHE A 42 1.086 -4.009 -1.490 1.00 0.77 H new ATOM 0 HA PHE A 42 -1.637 -4.812 -2.253 1.00 0.81 H new ATOM 0 HB2 PHE A 42 1.139 -5.275 -3.433 1.00 0.85 H new ATOM 0 HB3 PHE A 42 -0.297 -6.077 -4.037 1.00 0.85 H new ATOM 0 HD1 PHE A 42 1.376 -2.791 -3.622 1.00 2.19 H new ATOM 0 HD2 PHE A 42 -1.898 -4.918 -5.445 1.00 2.03 H new ATOM 0 HE1 PHE A 42 0.863 -0.807 -5.019 1.00 2.06 H new ATOM 0 HE2 PHE A 42 -2.366 -2.949 -6.892 1.00 2.01 H new ATOM 0 HZ PHE A 42 -0.996 -0.890 -6.666 1.00 0.98 H new ATOM 676 N GLY A 43 -1.642 -6.989 -1.098 1.00 0.82 N ATOM 677 CA GLY A 43 -1.803 -8.312 -0.482 1.00 0.86 C ATOM 678 C GLY A 43 -3.058 -9.058 -0.944 1.00 0.93 C ATOM 679 O GLY A 43 -3.841 -8.558 -1.745 1.00 0.95 O ATOM 0 H GLY A 43 -2.535 -6.518 -1.245 1.00 0.82 H new ATOM 0 HA2 GLY A 43 -0.926 -8.918 -0.710 1.00 0.86 H new ATOM 0 HA3 GLY A 43 -1.838 -8.197 0.601 1.00 0.86 H new ATOM 683 N PHE A 44 -3.285 -10.240 -0.372 1.00 0.97 N ATOM 684 CA PHE A 44 -4.606 -10.878 -0.293 1.00 1.06 C ATOM 685 C PHE A 44 -5.484 -10.055 0.680 1.00 2.30 C ATOM 686 O PHE A 44 -5.947 -8.974 0.323 1.00 4.16 O ATOM 687 CB PHE A 44 -4.393 -12.356 0.096 1.00 1.84 C ATOM 688 CG PHE A 44 -3.615 -13.145 -0.942 1.00 1.24 C ATOM 689 CD1 PHE A 44 -4.258 -13.592 -2.111 1.00 2.04 C ATOM 690 CD2 PHE A 44 -2.244 -13.405 -0.758 1.00 2.89 C ATOM 691 CE1 PHE A 44 -3.535 -14.292 -3.092 1.00 3.01 C ATOM 692 CE2 PHE A 44 -1.524 -14.115 -1.733 1.00 3.80 C ATOM 693 CZ PHE A 44 -2.166 -14.553 -2.904 1.00 3.66 C ATOM 0 H PHE A 44 -2.545 -10.794 0.058 1.00 0.97 H new ATOM 0 HA PHE A 44 -5.144 -10.887 -1.241 1.00 1.06 H new ATOM 0 HB2 PHE A 44 -3.864 -12.401 1.048 1.00 1.84 H new ATOM 0 HB3 PHE A 44 -5.364 -12.828 0.248 1.00 1.84 H new ATOM 0 HD1 PHE A 44 -5.310 -13.397 -2.255 1.00 2.04 H new ATOM 0 HD2 PHE A 44 -1.745 -13.058 0.135 1.00 2.89 H new ATOM 0 HE1 PHE A 44 -4.031 -14.629 -3.990 1.00 3.01 H new ATOM 0 HE2 PHE A 44 -0.475 -14.325 -1.583 1.00 3.80 H new ATOM 0 HZ PHE A 44 -1.609 -15.089 -3.658 1.00 3.66 H new ATOM 703 N THR A 45 -5.565 -10.489 1.944 1.00 1.16 N ATOM 704 CA THR A 45 -5.784 -9.666 3.150 1.00 1.89 C ATOM 705 C THR A 45 -5.398 -10.442 4.390 1.00 2.64 C ATOM 706 O THR A 45 -4.557 -9.973 5.151 1.00 3.56 O ATOM 707 CB THR A 45 -7.181 -9.045 3.232 1.00 2.30 C ATOM 708 OG1 THR A 45 -7.104 -8.013 4.185 1.00 4.42 O ATOM 709 CG2 THR A 45 -8.289 -9.991 3.668 1.00 1.24 C ATOM 0 H THR A 45 -5.475 -11.480 2.170 1.00 1.16 H new ATOM 0 HA THR A 45 -5.123 -8.803 3.077 1.00 1.89 H new ATOM 0 HB THR A 45 -7.445 -8.720 2.226 1.00 2.30 H new ATOM 0 HG1 THR A 45 -6.673 -7.229 3.784 1.00 4.42 H new ATOM 0 HG21 THR A 45 -9.237 -9.454 3.694 1.00 1.24 H new ATOM 0 HG22 THR A 45 -8.360 -10.818 2.962 1.00 1.24 H new ATOM 0 HG23 THR A 45 -8.065 -10.380 4.661 1.00 1.24 H new ATOM 717 N ARG A 46 -5.840 -11.699 4.521 1.00 2.71 N ATOM 718 CA ARG A 46 -5.314 -12.641 5.515 1.00 3.33 C ATOM 719 C ARG A 46 -3.944 -13.199 5.070 1.00 2.87 C ATOM 720 O ARG A 46 -3.710 -14.404 5.101 1.00 3.08 O ATOM 721 CB ARG A 46 -6.383 -13.708 5.841 1.00 4.34 C ATOM 722 CG ARG A 46 -6.058 -14.689 6.992 1.00 5.01 C ATOM 723 CD ARG A 46 -5.524 -14.057 8.288 1.00 6.97 C ATOM 724 NE ARG A 46 -6.566 -13.310 9.021 1.00 8.39 N ATOM 725 CZ ARG A 46 -7.422 -13.813 9.908 1.00 9.63 C ATOM 726 NH1 ARG A 46 -7.461 -15.097 10.206 1.00 9.80 N ATOM 727 NH2 ARG A 46 -8.268 -13.012 10.522 1.00 11.24 N ATOM 0 H ARG A 46 -6.577 -12.093 3.936 1.00 2.71 H new ATOM 0 HA ARG A 46 -5.110 -12.130 6.456 1.00 3.33 H new ATOM 0 HB2 ARG A 46 -7.313 -13.194 6.084 1.00 4.34 H new ATOM 0 HB3 ARG A 46 -6.568 -14.291 4.939 1.00 4.34 H new ATOM 0 HG2 ARG A 46 -6.962 -15.250 7.231 1.00 5.01 H new ATOM 0 HG3 ARG A 46 -5.322 -15.408 6.632 1.00 5.01 H new ATOM 0 HD2 ARG A 46 -5.121 -14.839 8.931 1.00 6.97 H new ATOM 0 HD3 ARG A 46 -4.700 -13.385 8.049 1.00 6.97 H new ATOM 0 HE ARG A 46 -6.637 -12.311 8.829 1.00 8.39 H new ATOM 0 HH11 ARG A 46 -6.819 -15.746 9.751 1.00 9.80 H new ATOM 0 HH12 ARG A 46 -8.133 -15.441 10.892 1.00 9.80 H new ATOM 0 HH21 ARG A 46 -8.265 -12.013 10.317 1.00 11.24 H new ATOM 0 HH22 ARG A 46 -8.927 -13.391 11.203 1.00 11.24 H new ATOM 741 N CYS A 47 -3.014 -12.329 4.655 1.00 2.43 N ATOM 742 CA CYS A 47 -1.609 -12.693 4.428 1.00 2.09 C ATOM 743 C CYS A 47 -0.996 -13.185 5.760 1.00 2.48 C ATOM 744 O CYS A 47 -1.386 -12.649 6.804 1.00 3.32 O ATOM 745 CB CYS A 47 -0.837 -11.508 3.821 1.00 2.27 C ATOM 746 SG CYS A 47 -1.760 -10.740 2.455 1.00 3.50 S ATOM 0 H CYS A 47 -3.216 -11.347 4.466 1.00 2.43 H new ATOM 0 HA CYS A 47 -1.541 -13.506 3.706 1.00 2.09 H new ATOM 0 HB2 CYS A 47 -0.643 -10.764 4.594 1.00 2.27 H new ATOM 0 HB3 CYS A 47 0.132 -11.851 3.459 1.00 2.27 H new ATOM 0 HG CYS A 47 -1.075 -9.745 1.974 1.00 3.50 H new ATOM 752 N PRO A 48 -0.096 -14.189 5.742 1.00 2.14 N ATOM 753 CA PRO A 48 0.209 -14.993 6.921 1.00 2.51 C ATOM 754 C PRO A 48 0.948 -14.210 8.004 1.00 2.41 C ATOM 755 O PRO A 48 0.521 -14.241 9.155 1.00 2.82 O ATOM 756 CB PRO A 48 1.027 -16.190 6.412 1.00 2.81 C ATOM 757 CG PRO A 48 1.618 -15.706 5.089 1.00 2.48 C ATOM 758 CD PRO A 48 0.549 -14.752 4.562 1.00 2.12 C ATOM 0 HA PRO A 48 -0.710 -15.317 7.410 1.00 2.51 H new ATOM 0 HB2 PRO A 48 1.809 -16.468 7.119 1.00 2.81 H new ATOM 0 HB3 PRO A 48 0.399 -17.069 6.269 1.00 2.81 H new ATOM 0 HG2 PRO A 48 2.573 -15.201 5.235 1.00 2.48 H new ATOM 0 HG3 PRO A 48 1.796 -16.532 4.401 1.00 2.48 H new ATOM 0 HD2 PRO A 48 0.992 -13.969 3.947 1.00 2.12 H new ATOM 0 HD3 PRO A 48 -0.171 -15.279 3.936 1.00 2.12 H new ATOM 766 N ASP A 49 2.015 -13.490 7.647 1.00 1.63 N ATOM 767 CA ASP A 49 2.915 -12.821 8.591 1.00 1.48 C ATOM 768 C ASP A 49 3.103 -11.372 8.150 1.00 1.36 C ATOM 769 O ASP A 49 2.847 -10.450 8.922 1.00 1.66 O ATOM 770 CB ASP A 49 4.248 -13.600 8.694 1.00 1.48 C ATOM 771 CG ASP A 49 4.955 -13.976 7.374 1.00 2.80 C ATOM 772 OD1 ASP A 49 4.422 -13.631 6.288 1.00 4.03 O ATOM 773 OD2 ASP A 49 6.020 -14.627 7.455 1.00 3.81 O ATOM 0 H ASP A 49 2.283 -13.353 6.672 1.00 1.63 H new ATOM 0 HA ASP A 49 2.486 -12.809 9.593 1.00 1.48 H new ATOM 0 HB2 ASP A 49 4.941 -13.005 9.289 1.00 1.48 H new ATOM 0 HB3 ASP A 49 4.059 -14.519 9.249 1.00 1.48 H new ATOM 778 N VAL A 50 3.388 -11.187 6.860 1.00 1.21 N ATOM 779 CA VAL A 50 3.571 -9.894 6.199 1.00 1.23 C ATOM 780 C VAL A 50 2.460 -8.878 6.474 1.00 1.54 C ATOM 781 O VAL A 50 2.737 -7.687 6.554 1.00 1.80 O ATOM 782 CB VAL A 50 3.686 -10.013 4.663 1.00 1.58 C ATOM 783 CG1 VAL A 50 4.781 -9.038 4.222 1.00 2.63 C ATOM 784 CG2 VAL A 50 3.979 -11.409 4.092 1.00 2.34 C ATOM 0 H VAL A 50 3.503 -11.971 6.218 1.00 1.21 H new ATOM 0 HA VAL A 50 4.504 -9.538 6.635 1.00 1.23 H new ATOM 0 HB VAL A 50 2.698 -9.782 4.265 1.00 1.58 H new ATOM 0 HG11 VAL A 50 4.898 -9.088 3.139 1.00 2.63 H new ATOM 0 HG12 VAL A 50 4.503 -8.024 4.511 1.00 2.63 H new ATOM 0 HG13 VAL A 50 5.722 -9.307 4.701 1.00 2.63 H new ATOM 0 HG21 VAL A 50 4.034 -11.353 3.005 1.00 2.34 H new ATOM 0 HG22 VAL A 50 4.929 -11.771 4.486 1.00 2.34 H new ATOM 0 HG23 VAL A 50 3.182 -12.094 4.380 1.00 2.34 H new ATOM 794 N CYS A 51 1.198 -9.309 6.605 1.00 1.55 N ATOM 795 CA CYS A 51 0.132 -8.374 6.975 1.00 1.81 C ATOM 796 C CYS A 51 0.307 -7.917 8.428 1.00 2.02 C ATOM 797 O CYS A 51 0.532 -6.722 8.605 1.00 2.21 O ATOM 798 CB CYS A 51 -1.267 -8.919 6.629 1.00 2.20 C ATOM 799 SG CYS A 51 -1.711 -8.296 4.983 1.00 2.37 S ATOM 0 H CYS A 51 0.897 -10.273 6.464 1.00 1.55 H new ATOM 0 HA CYS A 51 0.218 -7.475 6.365 1.00 1.81 H new ATOM 0 HB2 CYS A 51 -1.266 -10.009 6.638 1.00 2.20 H new ATOM 0 HB3 CYS A 51 -1.998 -8.595 7.370 1.00 2.20 H new ATOM 0 HG CYS A 51 -1.883 -9.297 4.172 1.00 2.37 H new ATOM 805 N PRO A 52 0.245 -8.783 9.452 1.00 1.74 N ATOM 806 CA PRO A 52 0.352 -8.304 10.819 1.00 1.90 C ATOM 807 C PRO A 52 1.721 -7.699 11.181 1.00 1.93 C ATOM 808 O PRO A 52 1.741 -6.908 12.117 1.00 2.11 O ATOM 809 CB PRO A 52 -0.043 -9.488 11.712 1.00 2.13 C ATOM 810 CG PRO A 52 0.162 -10.717 10.826 1.00 1.95 C ATOM 811 CD PRO A 52 -0.154 -10.186 9.428 1.00 1.80 C ATOM 0 HA PRO A 52 -0.316 -7.456 10.968 1.00 1.90 H new ATOM 0 HB2 PRO A 52 0.578 -9.535 12.607 1.00 2.13 H new ATOM 0 HB3 PRO A 52 -1.078 -9.407 12.045 1.00 2.13 H new ATOM 0 HG2 PRO A 52 1.181 -11.098 10.893 1.00 1.95 H new ATOM 0 HG3 PRO A 52 -0.503 -11.534 11.108 1.00 1.95 H new ATOM 0 HD2 PRO A 52 0.394 -10.738 8.664 1.00 1.80 H new ATOM 0 HD3 PRO A 52 -1.214 -10.290 9.198 1.00 1.80 H new ATOM 819 N THR A 53 2.826 -7.989 10.472 1.00 1.36 N ATOM 820 CA THR A 53 4.074 -7.216 10.600 1.00 1.32 C ATOM 821 C THR A 53 3.998 -5.846 9.917 1.00 1.34 C ATOM 822 O THR A 53 4.017 -4.833 10.622 1.00 1.34 O ATOM 823 CB THR A 53 5.288 -8.020 10.117 1.00 1.45 C ATOM 824 OG1 THR A 53 5.080 -8.419 8.793 1.00 2.70 O ATOM 825 CG2 THR A 53 5.530 -9.274 10.955 1.00 1.36 C ATOM 0 H THR A 53 2.880 -8.756 9.802 1.00 1.36 H new ATOM 0 HA THR A 53 4.206 -7.022 11.664 1.00 1.32 H new ATOM 0 HB THR A 53 6.159 -7.371 10.210 1.00 1.45 H new ATOM 0 HG1 THR A 53 5.309 -7.682 8.189 1.00 2.70 H new ATOM 0 HG21 THR A 53 6.400 -9.806 10.571 1.00 1.36 H new ATOM 0 HG22 THR A 53 5.707 -8.990 11.992 1.00 1.36 H new ATOM 0 HG23 THR A 53 4.655 -9.922 10.901 1.00 1.36 H new ATOM 833 N THR A 54 3.836 -5.777 8.582 1.00 1.05 N ATOM 834 CA THR A 54 3.839 -4.510 7.817 1.00 1.00 C ATOM 835 C THR A 54 2.689 -3.597 8.218 1.00 1.08 C ATOM 836 O THR A 54 2.930 -2.412 8.408 1.00 1.11 O ATOM 837 CB THR A 54 3.881 -4.738 6.294 1.00 1.02 C ATOM 838 OG1 THR A 54 5.168 -5.146 5.898 1.00 1.43 O ATOM 839 CG2 THR A 54 3.603 -3.475 5.470 1.00 1.19 C ATOM 0 H THR A 54 3.698 -6.602 7.998 1.00 1.05 H new ATOM 0 HA THR A 54 4.764 -3.998 8.081 1.00 1.00 H new ATOM 0 HB THR A 54 3.108 -5.484 6.108 1.00 1.02 H new ATOM 0 HG1 THR A 54 5.577 -5.678 6.613 1.00 1.43 H new ATOM 0 HG21 THR A 54 3.650 -3.716 4.408 1.00 1.19 H new ATOM 0 HG22 THR A 54 2.611 -3.094 5.712 1.00 1.19 H new ATOM 0 HG23 THR A 54 4.350 -2.716 5.703 1.00 1.19 H new ATOM 847 N LEU A 55 1.464 -4.096 8.406 1.00 0.88 N ATOM 848 CA LEU A 55 0.326 -3.268 8.838 1.00 0.84 C ATOM 849 C LEU A 55 0.538 -2.710 10.249 1.00 1.33 C ATOM 850 O LEU A 55 0.140 -1.570 10.508 1.00 1.54 O ATOM 851 CB LEU A 55 -0.991 -4.073 8.790 1.00 0.87 C ATOM 852 CG LEU A 55 -1.442 -4.581 7.405 1.00 0.88 C ATOM 853 CD1 LEU A 55 -2.657 -5.507 7.578 1.00 1.71 C ATOM 854 CD2 LEU A 55 -1.825 -3.450 6.442 1.00 1.11 C ATOM 0 H LEU A 55 1.230 -5.079 8.265 1.00 0.88 H new ATOM 0 HA LEU A 55 0.258 -2.430 8.144 1.00 0.84 H new ATOM 0 HB2 LEU A 55 -0.888 -4.933 9.451 1.00 0.87 H new ATOM 0 HB3 LEU A 55 -1.786 -3.450 9.199 1.00 0.87 H new ATOM 0 HG LEU A 55 -0.593 -5.108 6.970 1.00 0.88 H new ATOM 0 HD11 LEU A 55 -2.980 -5.869 6.602 1.00 1.71 H new ATOM 0 HD12 LEU A 55 -2.382 -6.354 8.207 1.00 1.71 H new ATOM 0 HD13 LEU A 55 -3.471 -4.955 8.048 1.00 1.71 H new ATOM 0 HD21 LEU A 55 -2.133 -3.874 5.486 1.00 1.11 H new ATOM 0 HD22 LEU A 55 -2.648 -2.875 6.865 1.00 1.11 H new ATOM 0 HD23 LEU A 55 -0.966 -2.796 6.289 1.00 1.11 H new ATOM 866 N LEU A 56 1.194 -3.460 11.149 1.00 0.95 N ATOM 867 CA LEU A 56 1.592 -2.917 12.444 1.00 1.05 C ATOM 868 C LEU A 56 2.646 -1.825 12.273 1.00 1.42 C ATOM 869 O LEU A 56 2.553 -0.820 12.971 1.00 1.53 O ATOM 870 CB LEU A 56 2.079 -4.036 13.382 1.00 1.23 C ATOM 871 CG LEU A 56 2.257 -3.579 14.842 1.00 1.71 C ATOM 872 CD1 LEU A 56 0.938 -3.299 15.582 1.00 2.69 C ATOM 873 CD2 LEU A 56 3.067 -4.617 15.630 1.00 1.47 C ATOM 0 H LEU A 56 1.455 -4.435 11.000 1.00 0.95 H new ATOM 0 HA LEU A 56 0.718 -2.460 12.908 1.00 1.05 H new ATOM 0 HB2 LEU A 56 1.367 -4.860 13.352 1.00 1.23 H new ATOM 0 HB3 LEU A 56 3.029 -4.422 13.012 1.00 1.23 H new ATOM 0 HG LEU A 56 2.791 -2.630 14.786 1.00 1.71 H new ATOM 0 HD11 LEU A 56 1.153 -2.983 16.603 1.00 2.69 H new ATOM 0 HD12 LEU A 56 0.391 -2.510 15.065 1.00 2.69 H new ATOM 0 HD13 LEU A 56 0.333 -4.206 15.603 1.00 2.69 H new ATOM 0 HD21 LEU A 56 3.185 -4.281 16.660 1.00 1.47 H new ATOM 0 HD22 LEU A 56 2.543 -5.573 15.618 1.00 1.47 H new ATOM 0 HD23 LEU A 56 4.049 -4.736 15.172 1.00 1.47 H new ATOM 885 N ALA A 57 3.606 -1.959 11.353 1.00 1.16 N ATOM 886 CA ALA A 57 4.604 -0.919 11.109 1.00 1.29 C ATOM 887 C ALA A 57 4.010 0.347 10.471 1.00 1.39 C ATOM 888 O ALA A 57 4.304 1.450 10.939 1.00 1.64 O ATOM 889 CB ALA A 57 5.724 -1.503 10.263 1.00 1.38 C ATOM 0 H ALA A 57 3.711 -2.784 10.763 1.00 1.16 H new ATOM 0 HA ALA A 57 5.001 -0.594 12.071 1.00 1.29 H new ATOM 0 HB1 ALA A 57 6.475 -0.736 10.074 1.00 1.38 H new ATOM 0 HB2 ALA A 57 6.183 -2.338 10.793 1.00 1.38 H new ATOM 0 HB3 ALA A 57 5.318 -1.855 9.314 1.00 1.38 H new ATOM 895 N LEU A 58 3.141 0.212 9.457 1.00 1.18 N ATOM 896 CA LEU A 58 2.466 1.355 8.830 1.00 1.19 C ATOM 897 C LEU A 58 1.664 2.147 9.873 1.00 1.51 C ATOM 898 O LEU A 58 1.816 3.364 9.979 1.00 1.69 O ATOM 899 CB LEU A 58 1.579 0.902 7.648 1.00 1.21 C ATOM 900 CG LEU A 58 2.295 0.224 6.456 1.00 1.16 C ATOM 901 CD1 LEU A 58 1.348 0.136 5.253 1.00 1.64 C ATOM 902 CD2 LEU A 58 3.594 0.916 6.035 1.00 1.33 C ATOM 0 H LEU A 58 2.889 -0.689 9.051 1.00 1.18 H new ATOM 0 HA LEU A 58 3.227 2.020 8.422 1.00 1.19 H new ATOM 0 HB2 LEU A 58 0.830 0.210 8.032 1.00 1.21 H new ATOM 0 HB3 LEU A 58 1.044 1.774 7.271 1.00 1.21 H new ATOM 0 HG LEU A 58 2.572 -0.772 6.801 1.00 1.16 H new ATOM 0 HD11 LEU A 58 1.862 -0.343 4.420 1.00 1.64 H new ATOM 0 HD12 LEU A 58 0.470 -0.451 5.523 1.00 1.64 H new ATOM 0 HD13 LEU A 58 1.038 1.139 4.960 1.00 1.64 H new ATOM 0 HD21 LEU A 58 4.035 0.381 5.194 1.00 1.33 H new ATOM 0 HD22 LEU A 58 3.380 1.943 5.739 1.00 1.33 H new ATOM 0 HD23 LEU A 58 4.293 0.917 6.871 1.00 1.33 H new ATOM 914 N LYS A 59 0.883 1.470 10.724 1.00 1.09 N ATOM 915 CA LYS A 59 0.175 2.161 11.809 1.00 1.08 C ATOM 916 C LYS A 59 1.127 2.681 12.907 1.00 1.24 C ATOM 917 O LYS A 59 0.912 3.778 13.415 1.00 1.28 O ATOM 918 CB LYS A 59 -1.011 1.304 12.296 1.00 1.15 C ATOM 919 CG LYS A 59 -0.778 0.359 13.488 1.00 1.24 C ATOM 920 CD LYS A 59 -1.138 1.018 14.823 1.00 1.59 C ATOM 921 CE LYS A 59 -1.053 -0.002 15.962 1.00 1.47 C ATOM 922 NZ LYS A 59 -1.280 0.650 17.275 1.00 2.01 N ATOM 0 H LYS A 59 0.727 0.463 10.685 1.00 1.09 H new ATOM 0 HA LYS A 59 -0.265 3.081 11.424 1.00 1.08 H new ATOM 0 HB2 LYS A 59 -1.825 1.979 12.559 1.00 1.15 H new ATOM 0 HB3 LYS A 59 -1.356 0.702 11.455 1.00 1.15 H new ATOM 0 HG2 LYS A 59 -1.375 -0.544 13.357 1.00 1.24 H new ATOM 0 HG3 LYS A 59 0.267 0.050 13.507 1.00 1.24 H new ATOM 0 HD2 LYS A 59 -0.461 1.849 15.020 1.00 1.59 H new ATOM 0 HD3 LYS A 59 -2.145 1.432 14.772 1.00 1.59 H new ATOM 0 HE2 LYS A 59 -1.794 -0.787 15.808 1.00 1.47 H new ATOM 0 HE3 LYS A 59 -0.074 -0.481 15.954 1.00 1.47 H new ATOM 0 HZ1 LYS A 59 -1.698 -0.036 17.935 1.00 2.01 H new ATOM 0 HZ2 LYS A 59 -0.373 0.989 17.656 1.00 2.01 H new ATOM 0 HZ3 LYS A 59 -1.928 1.455 17.156 1.00 2.01 H new ATOM 936 N ARG A 60 2.223 1.979 13.228 1.00 1.06 N ATOM 937 CA ARG A 60 3.238 2.457 14.185 1.00 1.11 C ATOM 938 C ARG A 60 3.960 3.725 13.718 1.00 1.51 C ATOM 939 O ARG A 60 4.365 4.515 14.568 1.00 1.50 O ATOM 940 CB ARG A 60 4.262 1.354 14.491 1.00 1.15 C ATOM 941 CG ARG A 60 3.804 0.420 15.621 1.00 1.29 C ATOM 942 CD ARG A 60 3.992 1.053 17.014 1.00 1.87 C ATOM 943 NE ARG A 60 5.051 0.375 17.799 1.00 2.34 N ATOM 944 CZ ARG A 60 6.370 0.535 17.716 1.00 3.49 C ATOM 945 NH1 ARG A 60 6.924 1.388 16.882 1.00 4.33 N ATOM 946 NH2 ARG A 60 7.165 -0.175 18.492 1.00 4.69 N ATOM 0 H ARG A 60 2.433 1.063 12.833 1.00 1.06 H new ATOM 0 HA ARG A 60 2.696 2.716 15.095 1.00 1.11 H new ATOM 0 HB2 ARG A 60 4.439 0.768 13.589 1.00 1.15 H new ATOM 0 HB3 ARG A 60 5.212 1.812 14.766 1.00 1.15 H new ATOM 0 HG2 ARG A 60 2.753 0.168 15.478 1.00 1.29 H new ATOM 0 HG3 ARG A 60 4.366 -0.513 15.569 1.00 1.29 H new ATOM 0 HD2 ARG A 60 4.245 2.107 16.901 1.00 1.87 H new ATOM 0 HD3 ARG A 60 3.051 1.008 17.562 1.00 1.87 H new ATOM 0 HE ARG A 60 4.728 -0.301 18.491 1.00 2.34 H new ATOM 0 HH11 ARG A 60 6.339 1.956 16.269 1.00 4.33 H new ATOM 0 HH12 ARG A 60 7.939 1.482 16.848 1.00 4.33 H new ATOM 0 HH21 ARG A 60 6.769 -0.844 19.153 1.00 4.69 H new ATOM 0 HH22 ARG A 60 8.176 -0.056 18.432 1.00 4.69 H new ATOM 960 N ALA A 61 4.104 3.953 12.408 1.00 1.15 N ATOM 961 CA ALA A 61 4.576 5.230 11.873 1.00 1.21 C ATOM 962 C ALA A 61 3.564 6.352 12.146 1.00 1.29 C ATOM 963 O ALA A 61 3.944 7.407 12.649 1.00 1.33 O ATOM 964 CB ALA A 61 4.883 5.070 10.378 1.00 1.36 C ATOM 0 H ALA A 61 3.896 3.257 11.692 1.00 1.15 H new ATOM 0 HA ALA A 61 5.496 5.520 12.380 1.00 1.21 H new ATOM 0 HB1 ALA A 61 5.235 6.020 9.975 1.00 1.36 H new ATOM 0 HB2 ALA A 61 5.654 4.311 10.244 1.00 1.36 H new ATOM 0 HB3 ALA A 61 3.979 4.766 9.851 1.00 1.36 H new ATOM 970 N TYR A 62 2.276 6.098 11.896 1.00 1.16 N ATOM 971 CA TYR A 62 1.168 7.020 12.181 1.00 1.25 C ATOM 972 C TYR A 62 1.054 7.401 13.671 1.00 1.45 C ATOM 973 O TYR A 62 0.694 8.533 13.980 1.00 1.62 O ATOM 974 CB TYR A 62 -0.131 6.375 11.666 1.00 1.37 C ATOM 975 CG TYR A 62 -1.258 7.343 11.377 1.00 1.84 C ATOM 976 CD1 TYR A 62 -2.155 7.739 12.390 1.00 3.05 C ATOM 977 CD2 TYR A 62 -1.438 7.808 10.061 1.00 2.68 C ATOM 978 CE1 TYR A 62 -3.239 8.584 12.081 1.00 3.33 C ATOM 979 CE2 TYR A 62 -2.519 8.647 9.750 1.00 3.18 C ATOM 980 CZ TYR A 62 -3.429 9.030 10.753 1.00 2.86 C ATOM 981 OH TYR A 62 -4.500 9.800 10.423 1.00 3.47 O ATOM 0 H TYR A 62 1.965 5.221 11.478 1.00 1.16 H new ATOM 0 HA TYR A 62 1.361 7.961 11.666 1.00 1.25 H new ATOM 0 HB2 TYR A 62 0.093 5.821 10.755 1.00 1.37 H new ATOM 0 HB3 TYR A 62 -0.476 5.650 12.404 1.00 1.37 H new ATOM 0 HD1 TYR A 62 -2.011 7.394 13.403 1.00 3.05 H new ATOM 0 HD2 TYR A 62 -0.742 7.518 9.288 1.00 2.68 H new ATOM 0 HE1 TYR A 62 -3.924 8.891 12.858 1.00 3.33 H new ATOM 0 HE2 TYR A 62 -2.653 9.000 8.738 1.00 3.18 H new ATOM 0 HH TYR A 62 -4.467 10.013 9.467 1.00 3.47 H new ATOM 991 N GLU A 63 1.386 6.485 14.589 1.00 1.25 N ATOM 992 CA GLU A 63 1.423 6.736 16.037 1.00 1.47 C ATOM 993 C GLU A 63 2.608 7.631 16.438 1.00 1.71 C ATOM 994 O GLU A 63 2.508 8.376 17.409 1.00 2.06 O ATOM 995 CB GLU A 63 1.479 5.406 16.812 1.00 1.72 C ATOM 996 CG GLU A 63 0.170 4.606 16.722 1.00 1.82 C ATOM 997 CD GLU A 63 0.263 3.259 17.443 1.00 2.34 C ATOM 998 OE1 GLU A 63 0.990 2.354 16.978 1.00 2.85 O ATOM 999 OE2 GLU A 63 -0.545 2.998 18.362 1.00 3.10 O ATOM 0 H GLU A 63 1.642 5.529 14.342 1.00 1.25 H new ATOM 0 HA GLU A 63 0.507 7.266 16.296 1.00 1.47 H new ATOM 0 HB2 GLU A 63 2.297 4.799 16.424 1.00 1.72 H new ATOM 0 HB3 GLU A 63 1.703 5.611 17.859 1.00 1.72 H new ATOM 0 HG2 GLU A 63 -0.642 5.192 17.154 1.00 1.82 H new ATOM 0 HG3 GLU A 63 -0.080 4.439 15.674 1.00 1.82 H new ATOM 1006 N LYS A 64 3.734 7.574 15.713 1.00 1.28 N ATOM 1007 CA LYS A 64 4.911 8.380 16.018 1.00 1.36 C ATOM 1008 C LYS A 64 4.883 9.780 15.387 1.00 1.42 C ATOM 1009 O LYS A 64 5.302 10.744 16.035 1.00 1.61 O ATOM 1010 CB LYS A 64 6.154 7.573 15.613 1.00 1.39 C ATOM 1011 CG LYS A 64 7.426 8.365 15.948 1.00 2.46 C ATOM 1012 CD LYS A 64 8.684 7.494 16.003 1.00 3.07 C ATOM 1013 CE LYS A 64 9.877 8.413 16.313 1.00 4.33 C ATOM 1014 NZ LYS A 64 11.080 7.656 16.736 1.00 4.93 N ATOM 0 H LYS A 64 3.848 6.967 14.901 1.00 1.28 H new ATOM 0 HA LYS A 64 4.930 8.582 17.089 1.00 1.36 H new ATOM 0 HB2 LYS A 64 6.163 6.617 16.136 1.00 1.39 H new ATOM 0 HB3 LYS A 64 6.123 7.353 14.546 1.00 1.39 H new ATOM 0 HG2 LYS A 64 7.566 9.147 15.202 1.00 2.46 H new ATOM 0 HG3 LYS A 64 7.294 8.862 16.909 1.00 2.46 H new ATOM 0 HD2 LYS A 64 8.584 6.726 16.770 1.00 3.07 H new ATOM 0 HD3 LYS A 64 8.834 6.979 15.054 1.00 3.07 H new ATOM 0 HE2 LYS A 64 10.116 9.004 15.429 1.00 4.33 H new ATOM 0 HE3 LYS A 64 9.597 9.114 17.099 1.00 4.33 H new ATOM 0 HZ1 LYS A 64 11.895 8.300 16.786 1.00 4.93 H new ATOM 0 HZ2 LYS A 64 10.914 7.235 17.672 1.00 4.93 H new ATOM 0 HZ3 LYS A 64 11.276 6.902 16.047 1.00 4.93 H new ATOM 1028 N LEU A 65 4.429 9.933 14.135 1.00 1.51 N ATOM 1029 CA LEU A 65 4.266 11.261 13.524 1.00 1.48 C ATOM 1030 C LEU A 65 3.047 11.963 14.167 1.00 1.54 C ATOM 1031 O LEU A 65 1.995 11.339 14.293 1.00 1.88 O ATOM 1032 CB LEU A 65 4.261 11.152 11.982 1.00 1.94 C ATOM 1033 CG LEU A 65 3.052 10.422 11.354 1.00 1.22 C ATOM 1034 CD1 LEU A 65 1.950 11.407 10.944 1.00 2.10 C ATOM 1035 CD2 LEU A 65 3.479 9.634 10.103 1.00 2.08 C ATOM 0 H LEU A 65 4.169 9.157 13.527 1.00 1.51 H new ATOM 0 HA LEU A 65 5.117 11.910 13.732 1.00 1.48 H new ATOM 0 HB2 LEU A 65 4.307 12.159 11.567 1.00 1.94 H new ATOM 0 HB3 LEU A 65 5.171 10.638 11.672 1.00 1.94 H new ATOM 0 HG LEU A 65 2.667 9.742 12.114 1.00 1.22 H new ATOM 0 HD11 LEU A 65 1.116 10.858 10.506 1.00 2.10 H new ATOM 0 HD12 LEU A 65 1.605 11.953 11.822 1.00 2.10 H new ATOM 0 HD13 LEU A 65 2.345 12.111 10.212 1.00 2.10 H new ATOM 0 HD21 LEU A 65 2.612 9.128 9.678 1.00 2.08 H new ATOM 0 HD22 LEU A 65 3.897 10.320 9.366 1.00 2.08 H new ATOM 0 HD23 LEU A 65 4.231 8.895 10.378 1.00 2.08 H new ATOM 1047 N PRO A 66 3.162 13.225 14.626 1.00 1.17 N ATOM 1048 CA PRO A 66 2.194 13.828 15.540 1.00 1.28 C ATOM 1049 C PRO A 66 0.831 14.025 14.866 1.00 1.38 C ATOM 1050 O PRO A 66 0.781 14.093 13.637 1.00 1.17 O ATOM 1051 CB PRO A 66 2.812 15.167 15.960 1.00 1.47 C ATOM 1052 CG PRO A 66 3.693 15.530 14.768 1.00 1.48 C ATOM 1053 CD PRO A 66 4.224 14.169 14.327 1.00 1.31 C ATOM 0 HA PRO A 66 2.002 13.187 16.401 1.00 1.28 H new ATOM 0 HB2 PRO A 66 2.049 15.924 16.143 1.00 1.47 H new ATOM 0 HB3 PRO A 66 3.393 15.073 16.877 1.00 1.47 H new ATOM 0 HG2 PRO A 66 3.125 16.020 13.977 1.00 1.48 H new ATOM 0 HG3 PRO A 66 4.498 16.209 15.050 1.00 1.48 H new ATOM 0 HD2 PRO A 66 4.464 14.167 13.264 1.00 1.31 H new ATOM 0 HD3 PRO A 66 5.139 13.913 14.861 1.00 1.31 H new ATOM 1061 N PRO A 67 -0.266 14.201 15.628 1.00 1.31 N ATOM 1062 CA PRO A 67 -1.604 14.407 15.078 1.00 1.42 C ATOM 1063 C PRO A 67 -1.713 15.616 14.138 1.00 1.47 C ATOM 1064 O PRO A 67 -2.611 15.654 13.305 1.00 1.43 O ATOM 1065 CB PRO A 67 -2.548 14.512 16.282 1.00 1.76 C ATOM 1066 CG PRO A 67 -1.628 14.889 17.441 1.00 1.95 C ATOM 1067 CD PRO A 67 -0.322 14.187 17.082 1.00 1.65 C ATOM 0 HA PRO A 67 -1.872 13.569 14.434 1.00 1.42 H new ATOM 0 HB2 PRO A 67 -3.317 15.267 16.121 1.00 1.76 H new ATOM 0 HB3 PRO A 67 -3.061 13.569 16.470 1.00 1.76 H new ATOM 0 HG2 PRO A 67 -1.498 15.968 17.519 1.00 1.95 H new ATOM 0 HG3 PRO A 67 -2.022 14.545 18.398 1.00 1.95 H new ATOM 0 HD2 PRO A 67 0.535 14.705 17.514 1.00 1.65 H new ATOM 0 HD3 PRO A 67 -0.305 13.167 17.467 1.00 1.65 H new ATOM 1075 N LYS A 68 -0.774 16.575 14.187 1.00 1.40 N ATOM 1076 CA LYS A 68 -0.765 17.675 13.216 1.00 1.54 C ATOM 1077 C LYS A 68 -0.115 17.281 11.882 1.00 1.61 C ATOM 1078 O LYS A 68 -0.449 17.856 10.853 1.00 1.71 O ATOM 1079 CB LYS A 68 -0.119 18.923 13.835 1.00 1.83 C ATOM 1080 CG LYS A 68 -1.028 19.508 14.929 1.00 2.71 C ATOM 1081 CD LYS A 68 -0.652 20.961 15.239 1.00 3.61 C ATOM 1082 CE LYS A 68 -1.628 21.553 16.265 1.00 4.85 C ATOM 1083 NZ LYS A 68 -1.374 22.996 16.504 1.00 6.10 N ATOM 0 H LYS A 68 -0.024 16.610 14.877 1.00 1.40 H new ATOM 0 HA LYS A 68 -1.800 17.914 12.974 1.00 1.54 H new ATOM 0 HB2 LYS A 68 0.852 18.666 14.258 1.00 1.83 H new ATOM 0 HB3 LYS A 68 0.058 19.671 13.062 1.00 1.83 H new ATOM 0 HG2 LYS A 68 -2.068 19.459 14.607 1.00 2.71 H new ATOM 0 HG3 LYS A 68 -0.946 18.907 15.834 1.00 2.71 H new ATOM 0 HD2 LYS A 68 0.366 21.006 15.626 1.00 3.61 H new ATOM 0 HD3 LYS A 68 -0.672 21.553 14.324 1.00 3.61 H new ATOM 0 HE2 LYS A 68 -2.651 21.418 15.913 1.00 4.85 H new ATOM 0 HE3 LYS A 68 -1.540 21.009 17.205 1.00 4.85 H new ATOM 0 HZ1 LYS A 68 -2.054 23.357 17.203 1.00 6.10 H new ATOM 0 HZ2 LYS A 68 -0.407 23.123 16.865 1.00 6.10 H new ATOM 0 HZ3 LYS A 68 -1.483 23.520 15.612 1.00 6.10 H new ATOM 1097 N ALA A 69 0.813 16.316 11.893 1.00 1.28 N ATOM 1098 CA ALA A 69 1.286 15.622 10.694 1.00 1.24 C ATOM 1099 C ALA A 69 0.298 14.562 10.171 1.00 1.19 C ATOM 1100 O ALA A 69 0.221 14.369 8.967 1.00 1.26 O ATOM 1101 CB ALA A 69 2.668 15.018 10.973 1.00 1.29 C ATOM 0 H ALA A 69 1.262 15.992 12.750 1.00 1.28 H new ATOM 0 HA ALA A 69 1.363 16.358 9.893 1.00 1.24 H new ATOM 0 HB1 ALA A 69 3.025 14.500 10.083 1.00 1.29 H new ATOM 0 HB2 ALA A 69 3.366 15.813 11.235 1.00 1.29 H new ATOM 0 HB3 ALA A 69 2.596 14.311 11.800 1.00 1.29 H new ATOM 1107 N GLN A 70 -0.450 13.869 11.041 1.00 1.01 N ATOM 1108 CA GLN A 70 -1.360 12.777 10.649 1.00 0.99 C ATOM 1109 C GLN A 70 -2.374 13.199 9.575 1.00 1.06 C ATOM 1110 O GLN A 70 -2.661 12.408 8.683 1.00 1.33 O ATOM 1111 CB GLN A 70 -2.092 12.233 11.887 1.00 1.15 C ATOM 1112 CG GLN A 70 -1.209 11.341 12.781 1.00 2.05 C ATOM 1113 CD GLN A 70 -1.890 10.926 14.087 1.00 2.34 C ATOM 1114 OE1 GLN A 70 -3.067 11.159 14.311 1.00 2.28 O ATOM 1115 NE2 GLN A 70 -1.168 10.363 15.025 1.00 3.48 N ATOM 0 H GLN A 70 -0.442 14.050 12.045 1.00 1.01 H new ATOM 0 HA GLN A 70 -0.745 11.993 10.208 1.00 0.99 H new ATOM 0 HB2 GLN A 70 -2.463 13.071 12.477 1.00 1.15 H new ATOM 0 HB3 GLN A 70 -2.962 11.661 11.563 1.00 1.15 H new ATOM 0 HG2 GLN A 70 -0.929 10.446 12.225 1.00 2.05 H new ATOM 0 HG3 GLN A 70 -0.286 11.873 13.014 1.00 2.05 H new ATOM 0 HE21 GLN A 70 -0.183 10.160 14.857 1.00 3.48 H new ATOM 0 HE22 GLN A 70 -1.592 10.128 15.923 1.00 3.48 H new ATOM 1124 N GLU A 71 -2.837 14.455 9.598 1.00 1.03 N ATOM 1125 CA GLU A 71 -3.822 15.015 8.664 1.00 1.13 C ATOM 1126 C GLU A 71 -3.483 14.872 7.172 1.00 1.25 C ATOM 1127 O GLU A 71 -4.392 14.856 6.339 1.00 1.55 O ATOM 1128 CB GLU A 71 -4.090 16.477 9.031 1.00 1.38 C ATOM 1129 CG GLU A 71 -2.998 17.483 8.647 1.00 1.95 C ATOM 1130 CD GLU A 71 -3.079 17.930 7.187 1.00 3.16 C ATOM 1131 OE1 GLU A 71 -4.157 18.371 6.739 1.00 3.97 O ATOM 1132 OE2 GLU A 71 -2.077 17.768 6.459 1.00 4.33 O ATOM 0 H GLU A 71 -2.525 15.134 10.292 1.00 1.03 H new ATOM 0 HA GLU A 71 -4.722 14.411 8.783 1.00 1.13 H new ATOM 0 HB2 GLU A 71 -5.021 16.784 8.555 1.00 1.38 H new ATOM 0 HB3 GLU A 71 -4.247 16.537 10.108 1.00 1.38 H new ATOM 0 HG2 GLU A 71 -3.075 18.358 9.293 1.00 1.95 H new ATOM 0 HG3 GLU A 71 -2.021 17.036 8.830 1.00 1.95 H new ATOM 1139 N ARG A 72 -2.201 14.758 6.804 1.00 0.94 N ATOM 1140 CA ARG A 72 -1.821 14.460 5.418 1.00 0.99 C ATOM 1141 C ARG A 72 -1.732 12.967 5.101 1.00 1.32 C ATOM 1142 O ARG A 72 -1.683 12.642 3.918 1.00 1.71 O ATOM 1143 CB ARG A 72 -0.546 15.182 4.958 1.00 1.21 C ATOM 1144 CG ARG A 72 0.667 14.932 5.860 1.00 1.37 C ATOM 1145 CD ARG A 72 0.945 16.185 6.690 1.00 1.33 C ATOM 1146 NE ARG A 72 1.695 17.136 5.873 1.00 1.81 N ATOM 1147 CZ ARG A 72 1.379 18.352 5.465 1.00 2.36 C ATOM 1148 NH1 ARG A 72 0.280 18.988 5.807 1.00 3.20 N ATOM 1149 NH2 ARG A 72 2.221 18.913 4.629 1.00 3.08 N ATOM 0 H ARG A 72 -1.413 14.867 7.443 1.00 0.94 H new ATOM 0 HA ARG A 72 -2.653 14.861 4.840 1.00 0.99 H new ATOM 0 HB2 ARG A 72 -0.305 14.863 3.944 1.00 1.21 H new ATOM 0 HB3 ARG A 72 -0.741 16.254 4.917 1.00 1.21 H new ATOM 0 HG2 ARG A 72 0.478 14.082 6.516 1.00 1.37 H new ATOM 0 HG3 ARG A 72 1.539 14.681 5.256 1.00 1.37 H new ATOM 0 HD2 ARG A 72 0.008 16.631 7.024 1.00 1.33 H new ATOM 0 HD3 ARG A 72 1.512 15.927 7.584 1.00 1.33 H new ATOM 0 HE ARG A 72 2.611 16.808 5.568 1.00 1.81 H new ATOM 0 HH11 ARG A 72 -0.395 18.542 6.428 1.00 3.20 H new ATOM 0 HH12 ARG A 72 0.103 19.928 5.452 1.00 3.20 H new ATOM 0 HH21 ARG A 72 3.058 18.410 4.334 1.00 3.08 H new ATOM 0 HH22 ARG A 72 2.038 19.852 4.274 1.00 3.08 H new ATOM 1163 N VAL A 73 -1.690 12.072 6.089 1.00 0.90 N ATOM 1164 CA VAL A 73 -1.346 10.649 5.901 1.00 0.91 C ATOM 1165 C VAL A 73 -2.606 9.778 5.841 1.00 1.20 C ATOM 1166 O VAL A 73 -3.526 9.931 6.641 1.00 1.55 O ATOM 1167 CB VAL A 73 -0.364 10.139 6.989 1.00 1.04 C ATOM 1168 CG1 VAL A 73 0.106 8.700 6.702 1.00 1.40 C ATOM 1169 CG2 VAL A 73 0.882 11.035 7.098 1.00 2.04 C ATOM 0 H VAL A 73 -1.896 12.312 7.059 1.00 0.90 H new ATOM 0 HA VAL A 73 -0.833 10.567 4.943 1.00 0.91 H new ATOM 0 HB VAL A 73 -0.918 10.165 7.927 1.00 1.04 H new ATOM 0 HG11 VAL A 73 0.792 8.378 7.485 1.00 1.40 H new ATOM 0 HG12 VAL A 73 -0.756 8.034 6.678 1.00 1.40 H new ATOM 0 HG13 VAL A 73 0.615 8.669 5.739 1.00 1.40 H new ATOM 0 HG21 VAL A 73 1.545 10.644 7.870 1.00 2.04 H new ATOM 0 HG22 VAL A 73 1.406 11.047 6.142 1.00 2.04 H new ATOM 0 HG23 VAL A 73 0.579 12.049 7.359 1.00 2.04 H new ATOM 1179 N GLN A 74 -2.625 8.834 4.895 1.00 0.75 N ATOM 1180 CA GLN A 74 -3.628 7.777 4.738 1.00 0.73 C ATOM 1181 C GLN A 74 -2.931 6.460 4.373 1.00 0.97 C ATOM 1182 O GLN A 74 -1.974 6.473 3.599 1.00 1.19 O ATOM 1183 CB GLN A 74 -4.603 8.157 3.602 1.00 0.83 C ATOM 1184 CG GLN A 74 -5.891 8.812 4.110 1.00 1.32 C ATOM 1185 CD GLN A 74 -6.761 7.800 4.861 1.00 2.30 C ATOM 1186 OE1 GLN A 74 -6.710 7.693 6.076 1.00 3.71 O ATOM 1187 NE2 GLN A 74 -7.539 6.987 4.174 1.00 3.23 N ATOM 0 H GLN A 74 -1.901 8.784 4.179 1.00 0.75 H new ATOM 0 HA GLN A 74 -4.176 7.660 5.673 1.00 0.73 H new ATOM 0 HB2 GLN A 74 -4.102 8.839 2.914 1.00 0.83 H new ATOM 0 HB3 GLN A 74 -4.857 7.262 3.035 1.00 0.83 H new ATOM 0 HG2 GLN A 74 -5.645 9.645 4.769 1.00 1.32 H new ATOM 0 HG3 GLN A 74 -6.450 9.225 3.270 1.00 1.32 H new ATOM 0 HE21 GLN A 74 -7.590 7.067 3.158 1.00 3.23 H new ATOM 0 HE22 GLN A 74 -8.090 6.278 4.658 1.00 3.23 H new ATOM 1196 N VAL A 75 -3.435 5.320 4.860 1.00 0.76 N ATOM 1197 CA VAL A 75 -2.952 3.997 4.435 1.00 0.75 C ATOM 1198 C VAL A 75 -4.001 3.336 3.540 1.00 0.86 C ATOM 1199 O VAL A 75 -5.203 3.421 3.798 1.00 1.17 O ATOM 1200 CB VAL A 75 -2.575 3.088 5.625 1.00 0.84 C ATOM 1201 CG1 VAL A 75 -1.869 1.824 5.099 1.00 0.87 C ATOM 1202 CG2 VAL A 75 -1.631 3.799 6.616 1.00 1.11 C ATOM 0 H VAL A 75 -4.182 5.286 5.553 1.00 0.76 H new ATOM 0 HA VAL A 75 -2.032 4.142 3.869 1.00 0.75 H new ATOM 0 HB VAL A 75 -3.496 2.833 6.149 1.00 0.84 H new ATOM 0 HG11 VAL A 75 -1.602 1.181 5.938 1.00 0.87 H new ATOM 0 HG12 VAL A 75 -2.538 1.286 4.428 1.00 0.87 H new ATOM 0 HG13 VAL A 75 -0.966 2.110 4.559 1.00 0.87 H new ATOM 0 HG21 VAL A 75 -1.391 3.124 7.438 1.00 1.11 H new ATOM 0 HG22 VAL A 75 -0.713 4.086 6.102 1.00 1.11 H new ATOM 0 HG23 VAL A 75 -2.121 4.690 7.009 1.00 1.11 H new ATOM 1212 N ILE A 76 -3.558 2.711 2.451 1.00 0.66 N ATOM 1213 CA ILE A 76 -4.437 2.098 1.452 1.00 0.61 C ATOM 1214 C ILE A 76 -3.923 0.698 1.105 1.00 0.77 C ATOM 1215 O ILE A 76 -2.841 0.514 0.546 1.00 0.97 O ATOM 1216 CB ILE A 76 -4.623 3.036 0.236 1.00 0.76 C ATOM 1217 CG1 ILE A 76 -5.315 4.348 0.697 1.00 1.14 C ATOM 1218 CG2 ILE A 76 -5.445 2.328 -0.851 1.00 0.79 C ATOM 1219 CD1 ILE A 76 -5.752 5.306 -0.413 1.00 1.56 C ATOM 0 H ILE A 76 -2.566 2.614 2.233 1.00 0.66 H new ATOM 0 HA ILE A 76 -5.439 1.962 1.859 1.00 0.61 H new ATOM 0 HB ILE A 76 -3.651 3.288 -0.188 1.00 0.76 H new ATOM 0 HG12 ILE A 76 -6.193 4.084 1.287 1.00 1.14 H new ATOM 0 HG13 ILE A 76 -4.633 4.880 1.361 1.00 1.14 H new ATOM 0 HG21 ILE A 76 -5.572 2.995 -1.704 1.00 0.79 H new ATOM 0 HG22 ILE A 76 -4.925 1.425 -1.171 1.00 0.79 H new ATOM 0 HG23 ILE A 76 -6.423 2.061 -0.451 1.00 0.79 H new ATOM 0 HD11 ILE A 76 -6.222 6.185 0.029 1.00 1.56 H new ATOM 0 HD12 ILE A 76 -4.881 5.613 -0.993 1.00 1.56 H new ATOM 0 HD13 ILE A 76 -6.465 4.804 -1.067 1.00 1.56 H new ATOM 1231 N PHE A 77 -4.727 -0.293 1.468 1.00 0.57 N ATOM 1232 CA PHE A 77 -4.465 -1.696 1.219 1.00 0.59 C ATOM 1233 C PHE A 77 -5.267 -2.124 -0.012 1.00 1.46 C ATOM 1234 O PHE A 77 -6.484 -1.953 -0.054 1.00 1.88 O ATOM 1235 CB PHE A 77 -4.838 -2.483 2.479 1.00 0.67 C ATOM 1236 CG PHE A 77 -4.657 -3.972 2.303 1.00 0.78 C ATOM 1237 CD1 PHE A 77 -3.370 -4.538 2.369 1.00 2.00 C ATOM 1238 CD2 PHE A 77 -5.765 -4.774 1.986 1.00 1.75 C ATOM 1239 CE1 PHE A 77 -3.191 -5.911 2.126 1.00 1.79 C ATOM 1240 CE2 PHE A 77 -5.584 -6.139 1.724 1.00 1.81 C ATOM 1241 CZ PHE A 77 -4.300 -6.709 1.802 1.00 0.90 C ATOM 0 H PHE A 77 -5.606 -0.132 1.959 1.00 0.57 H new ATOM 0 HA PHE A 77 -3.413 -1.890 1.008 1.00 0.59 H new ATOM 0 HB2 PHE A 77 -4.224 -2.141 3.312 1.00 0.67 H new ATOM 0 HB3 PHE A 77 -5.875 -2.274 2.741 1.00 0.67 H new ATOM 0 HD1 PHE A 77 -2.519 -3.917 2.607 1.00 2.00 H new ATOM 0 HD2 PHE A 77 -6.753 -4.341 1.944 1.00 1.75 H new ATOM 0 HE1 PHE A 77 -2.206 -6.350 2.188 1.00 1.79 H new ATOM 0 HE2 PHE A 77 -6.432 -6.754 1.462 1.00 1.81 H new ATOM 0 HZ PHE A 77 -4.167 -7.764 1.612 1.00 0.90 H new ATOM 1251 N VAL A 78 -4.587 -2.681 -1.013 1.00 0.61 N ATOM 1252 CA VAL A 78 -5.209 -3.194 -2.248 1.00 0.66 C ATOM 1253 C VAL A 78 -5.171 -4.721 -2.237 1.00 0.98 C ATOM 1254 O VAL A 78 -4.116 -5.307 -1.985 1.00 1.22 O ATOM 1255 CB VAL A 78 -4.524 -2.640 -3.521 1.00 0.69 C ATOM 1256 CG1 VAL A 78 -5.079 -3.253 -4.820 1.00 1.04 C ATOM 1257 CG2 VAL A 78 -4.698 -1.113 -3.611 1.00 1.14 C ATOM 0 H VAL A 78 -3.573 -2.794 -0.995 1.00 0.61 H new ATOM 0 HA VAL A 78 -6.244 -2.852 -2.274 1.00 0.66 H new ATOM 0 HB VAL A 78 -3.472 -2.911 -3.429 1.00 0.69 H new ATOM 0 HG11 VAL A 78 -4.558 -2.824 -5.676 1.00 1.04 H new ATOM 0 HG12 VAL A 78 -4.928 -4.332 -4.807 1.00 1.04 H new ATOM 0 HG13 VAL A 78 -6.145 -3.037 -4.898 1.00 1.04 H new ATOM 0 HG21 VAL A 78 -4.209 -0.744 -4.513 1.00 1.14 H new ATOM 0 HG22 VAL A 78 -5.760 -0.869 -3.648 1.00 1.14 H new ATOM 0 HG23 VAL A 78 -4.248 -0.643 -2.736 1.00 1.14 H new ATOM 1267 N SER A 79 -6.307 -5.361 -2.532 1.00 0.73 N ATOM 1268 CA SER A 79 -6.333 -6.817 -2.727 1.00 0.75 C ATOM 1269 C SER A 79 -5.924 -7.215 -4.150 1.00 0.85 C ATOM 1270 O SER A 79 -6.320 -6.580 -5.128 1.00 1.22 O ATOM 1271 CB SER A 79 -7.631 -7.497 -2.269 1.00 1.14 C ATOM 1272 OG SER A 79 -8.295 -8.246 -3.277 1.00 2.22 O ATOM 0 H SER A 79 -7.211 -4.902 -2.640 1.00 0.73 H new ATOM 0 HA SER A 79 -5.572 -7.209 -2.052 1.00 0.75 H new ATOM 0 HB2 SER A 79 -7.403 -8.159 -1.434 1.00 1.14 H new ATOM 0 HB3 SER A 79 -8.313 -6.734 -1.894 1.00 1.14 H new ATOM 0 HG SER A 79 -9.072 -8.700 -2.889 1.00 2.22 H new ATOM 1278 N VAL A 80 -5.143 -8.287 -4.241 1.00 0.72 N ATOM 1279 CA VAL A 80 -4.541 -8.812 -5.487 1.00 0.76 C ATOM 1280 C VAL A 80 -5.355 -9.939 -6.135 1.00 1.30 C ATOM 1281 O VAL A 80 -5.019 -10.376 -7.235 1.00 1.39 O ATOM 1282 CB VAL A 80 -3.096 -9.315 -5.265 1.00 0.79 C ATOM 1283 CG1 VAL A 80 -2.191 -8.173 -4.761 1.00 2.08 C ATOM 1284 CG2 VAL A 80 -3.046 -10.542 -4.333 1.00 2.20 C ATOM 0 H VAL A 80 -4.895 -8.844 -3.423 1.00 0.72 H new ATOM 0 HA VAL A 80 -4.538 -7.960 -6.167 1.00 0.76 H new ATOM 0 HB VAL A 80 -2.710 -9.646 -6.229 1.00 0.79 H new ATOM 0 HG11 VAL A 80 -1.179 -8.550 -4.612 1.00 2.08 H new ATOM 0 HG12 VAL A 80 -2.174 -7.370 -5.498 1.00 2.08 H new ATOM 0 HG13 VAL A 80 -2.579 -7.791 -3.817 1.00 2.08 H new ATOM 0 HG21 VAL A 80 -2.011 -10.860 -4.206 1.00 2.20 H new ATOM 0 HG22 VAL A 80 -3.467 -10.279 -3.362 1.00 2.20 H new ATOM 0 HG23 VAL A 80 -3.625 -11.355 -4.771 1.00 2.20 H new ATOM 1294 N ASP A 81 -6.398 -10.434 -5.463 1.00 0.92 N ATOM 1295 CA ASP A 81 -7.105 -11.652 -5.865 1.00 0.92 C ATOM 1296 C ASP A 81 -8.596 -11.589 -5.477 1.00 1.21 C ATOM 1297 O ASP A 81 -9.030 -12.216 -4.504 1.00 1.42 O ATOM 1298 CB ASP A 81 -6.369 -12.892 -5.320 1.00 0.94 C ATOM 1299 CG ASP A 81 -6.770 -14.193 -6.021 1.00 1.61 C ATOM 1300 OD1 ASP A 81 -7.669 -14.176 -6.894 1.00 2.40 O ATOM 1301 OD2 ASP A 81 -6.165 -15.241 -5.694 1.00 2.63 O ATOM 0 H ASP A 81 -6.777 -9.999 -4.622 1.00 0.92 H new ATOM 0 HA ASP A 81 -7.097 -11.736 -6.952 1.00 0.92 H new ATOM 0 HB2 ASP A 81 -5.295 -12.745 -5.429 1.00 0.94 H new ATOM 0 HB3 ASP A 81 -6.571 -12.986 -4.253 1.00 0.94 H new ATOM 1306 N PRO A 82 -9.418 -10.837 -6.240 1.00 1.30 N ATOM 1307 CA PRO A 82 -10.859 -10.724 -6.010 1.00 1.64 C ATOM 1308 C PRO A 82 -11.637 -12.034 -6.229 1.00 1.70 C ATOM 1309 O PRO A 82 -12.847 -12.049 -6.017 1.00 1.98 O ATOM 1310 CB PRO A 82 -11.336 -9.597 -6.931 1.00 2.07 C ATOM 1311 CG PRO A 82 -10.308 -9.583 -8.059 1.00 1.98 C ATOM 1312 CD PRO A 82 -9.017 -9.986 -7.353 1.00 1.62 C ATOM 0 HA PRO A 82 -11.054 -10.500 -4.961 1.00 1.64 H new ATOM 0 HB2 PRO A 82 -12.340 -9.788 -7.309 1.00 2.07 H new ATOM 0 HB3 PRO A 82 -11.368 -8.641 -6.408 1.00 2.07 H new ATOM 0 HG2 PRO A 82 -10.570 -10.283 -8.852 1.00 1.98 H new ATOM 0 HG3 PRO A 82 -10.226 -8.598 -8.518 1.00 1.98 H new ATOM 0 HD2 PRO A 82 -8.351 -10.519 -8.032 1.00 1.62 H new ATOM 0 HD3 PRO A 82 -8.476 -9.109 -6.998 1.00 1.62 H new ATOM 1320 N GLU A 83 -10.979 -13.143 -6.594 1.00 1.29 N ATOM 1321 CA GLU A 83 -11.579 -14.486 -6.610 1.00 1.41 C ATOM 1322 C GLU A 83 -11.777 -15.066 -5.188 1.00 1.66 C ATOM 1323 O GLU A 83 -12.317 -16.165 -5.033 1.00 2.09 O ATOM 1324 CB GLU A 83 -10.672 -15.378 -7.470 1.00 1.47 C ATOM 1325 CG GLU A 83 -11.322 -16.662 -7.995 1.00 2.75 C ATOM 1326 CD GLU A 83 -10.261 -17.477 -8.720 1.00 2.90 C ATOM 1327 OE1 GLU A 83 -9.964 -17.158 -9.893 1.00 2.67 O ATOM 1328 OE2 GLU A 83 -9.669 -18.388 -8.092 1.00 4.03 O ATOM 0 H GLU A 83 -10.003 -13.133 -6.890 1.00 1.29 H new ATOM 0 HA GLU A 83 -12.582 -14.437 -7.035 1.00 1.41 H new ATOM 0 HB2 GLU A 83 -10.319 -14.795 -8.321 1.00 1.47 H new ATOM 0 HB3 GLU A 83 -9.795 -15.649 -6.883 1.00 1.47 H new ATOM 0 HG2 GLU A 83 -11.744 -17.237 -7.171 1.00 2.75 H new ATOM 0 HG3 GLU A 83 -12.143 -16.422 -8.671 1.00 2.75 H new ATOM 1335 N ARG A 84 -11.337 -14.343 -4.142 1.00 1.32 N ATOM 1336 CA ARG A 84 -11.525 -14.703 -2.726 1.00 1.43 C ATOM 1337 C ARG A 84 -11.293 -13.561 -1.721 1.00 1.56 C ATOM 1338 O ARG A 84 -11.804 -13.641 -0.609 1.00 1.80 O ATOM 1339 CB ARG A 84 -10.658 -15.916 -2.363 1.00 1.84 C ATOM 1340 CG ARG A 84 -9.159 -15.586 -2.314 1.00 2.31 C ATOM 1341 CD ARG A 84 -8.292 -16.779 -2.717 1.00 2.68 C ATOM 1342 NE ARG A 84 -7.915 -16.732 -4.137 1.00 3.80 N ATOM 1343 CZ ARG A 84 -8.443 -17.356 -5.181 1.00 4.57 C ATOM 1344 NH1 ARG A 84 -9.620 -17.935 -5.192 1.00 4.36 N ATOM 1345 NH2 ARG A 84 -7.766 -17.388 -6.296 1.00 6.29 N ATOM 0 H ARG A 84 -10.827 -13.468 -4.263 1.00 1.32 H new ATOM 0 HA ARG A 84 -12.583 -14.949 -2.636 1.00 1.43 H new ATOM 0 HB2 ARG A 84 -10.971 -16.303 -1.394 1.00 1.84 H new ATOM 0 HB3 ARG A 84 -10.827 -16.708 -3.092 1.00 1.84 H new ATOM 0 HG2 ARG A 84 -8.951 -14.747 -2.978 1.00 2.31 H new ATOM 0 HG3 ARG A 84 -8.891 -15.268 -1.306 1.00 2.31 H new ATOM 0 HD2 ARG A 84 -7.391 -16.796 -2.103 1.00 2.68 H new ATOM 0 HD3 ARG A 84 -8.832 -17.704 -2.516 1.00 2.68 H new ATOM 0 HE ARG A 84 -7.124 -16.125 -4.353 1.00 3.80 H new ATOM 0 HH11 ARG A 84 -10.201 -17.925 -4.354 1.00 4.36 H new ATOM 0 HH12 ARG A 84 -9.954 -18.395 -6.039 1.00 4.36 H new ATOM 0 HH21 ARG A 84 -6.852 -16.939 -6.351 1.00 6.29 H new ATOM 0 HH22 ARG A 84 -8.151 -17.862 -7.113 1.00 6.29 H new ATOM 1359 N ASP A 85 -10.588 -12.484 -2.088 1.00 1.10 N ATOM 1360 CA ASP A 85 -10.304 -11.314 -1.233 1.00 1.00 C ATOM 1361 C ASP A 85 -11.101 -10.058 -1.690 1.00 1.07 C ATOM 1362 O ASP A 85 -10.518 -9.133 -2.265 1.00 1.33 O ATOM 1363 CB ASP A 85 -8.774 -11.072 -1.211 1.00 1.15 C ATOM 1364 CG ASP A 85 -8.001 -12.162 -0.457 1.00 1.97 C ATOM 1365 OD1 ASP A 85 -7.823 -12.008 0.771 1.00 2.36 O ATOM 1366 OD2 ASP A 85 -7.524 -13.114 -1.106 1.00 3.39 O ATOM 0 H ASP A 85 -10.183 -12.395 -3.020 1.00 1.10 H new ATOM 0 HA ASP A 85 -10.639 -11.517 -0.216 1.00 1.00 H new ATOM 0 HB2 ASP A 85 -8.406 -11.018 -2.236 1.00 1.15 H new ATOM 0 HB3 ASP A 85 -8.572 -10.106 -0.748 1.00 1.15 H new ATOM 1371 N PRO A 86 -12.438 -9.989 -1.477 1.00 0.72 N ATOM 1372 CA PRO A 86 -13.282 -8.872 -1.918 1.00 0.84 C ATOM 1373 C PRO A 86 -13.064 -7.608 -1.061 1.00 1.01 C ATOM 1374 O PRO A 86 -12.618 -7.735 0.081 1.00 0.84 O ATOM 1375 CB PRO A 86 -14.722 -9.389 -1.799 1.00 0.87 C ATOM 1376 CG PRO A 86 -14.639 -10.376 -0.640 1.00 0.81 C ATOM 1377 CD PRO A 86 -13.263 -11.001 -0.833 1.00 0.72 C ATOM 0 HA PRO A 86 -13.040 -8.568 -2.936 1.00 0.84 H new ATOM 0 HB2 PRO A 86 -15.425 -8.582 -1.592 1.00 0.87 H new ATOM 0 HB3 PRO A 86 -15.054 -9.873 -2.718 1.00 0.87 H new ATOM 0 HG2 PRO A 86 -14.725 -9.876 0.325 1.00 0.81 H new ATOM 0 HG3 PRO A 86 -15.433 -11.122 -0.685 1.00 0.81 H new ATOM 0 HD2 PRO A 86 -12.835 -11.300 0.124 1.00 0.72 H new ATOM 0 HD3 PRO A 86 -13.327 -11.899 -1.448 1.00 0.72 H new ATOM 1385 N PRO A 87 -13.427 -6.401 -1.554 1.00 0.63 N ATOM 1386 CA PRO A 87 -13.095 -5.122 -0.914 1.00 0.77 C ATOM 1387 C PRO A 87 -13.523 -5.053 0.548 1.00 1.00 C ATOM 1388 O PRO A 87 -12.723 -4.697 1.403 1.00 0.91 O ATOM 1389 CB PRO A 87 -13.812 -4.033 -1.728 1.00 0.83 C ATOM 1390 CG PRO A 87 -14.859 -4.790 -2.542 1.00 0.77 C ATOM 1391 CD PRO A 87 -14.209 -6.153 -2.759 1.00 0.67 C ATOM 0 HA PRO A 87 -12.013 -4.991 -0.907 1.00 0.77 H new ATOM 0 HB2 PRO A 87 -14.275 -3.292 -1.077 1.00 0.83 H new ATOM 0 HB3 PRO A 87 -13.116 -3.499 -2.375 1.00 0.83 H new ATOM 0 HG2 PRO A 87 -15.804 -4.875 -2.005 1.00 0.77 H new ATOM 0 HG3 PRO A 87 -15.074 -4.291 -3.487 1.00 0.77 H new ATOM 0 HD2 PRO A 87 -14.961 -6.928 -2.907 1.00 0.67 H new ATOM 0 HD3 PRO A 87 -13.575 -6.150 -3.646 1.00 0.67 H new ATOM 1399 N GLU A 88 -14.771 -5.438 0.832 1.00 0.58 N ATOM 1400 CA GLU A 88 -15.387 -5.332 2.159 1.00 0.70 C ATOM 1401 C GLU A 88 -14.670 -6.197 3.211 1.00 1.05 C ATOM 1402 O GLU A 88 -14.551 -5.780 4.359 1.00 1.28 O ATOM 1403 CB GLU A 88 -16.876 -5.701 1.983 1.00 1.01 C ATOM 1404 CG GLU A 88 -17.840 -5.169 3.051 1.00 1.56 C ATOM 1405 CD GLU A 88 -17.906 -6.005 4.323 1.00 2.59 C ATOM 1406 OE1 GLU A 88 -17.924 -7.254 4.251 1.00 2.85 O ATOM 1407 OE2 GLU A 88 -17.976 -5.408 5.415 1.00 4.09 O ATOM 0 H GLU A 88 -15.394 -5.840 0.132 1.00 0.58 H new ATOM 0 HA GLU A 88 -15.296 -4.318 2.548 1.00 0.70 H new ATOM 0 HB2 GLU A 88 -17.206 -5.335 1.011 1.00 1.01 H new ATOM 0 HB3 GLU A 88 -16.958 -6.788 1.959 1.00 1.01 H new ATOM 0 HG2 GLU A 88 -17.544 -4.154 3.315 1.00 1.56 H new ATOM 0 HG3 GLU A 88 -18.840 -5.108 2.621 1.00 1.56 H new ATOM 1414 N VAL A 89 -14.135 -7.354 2.802 1.00 0.74 N ATOM 1415 CA VAL A 89 -13.275 -8.230 3.621 1.00 0.78 C ATOM 1416 C VAL A 89 -11.853 -7.663 3.770 1.00 1.02 C ATOM 1417 O VAL A 89 -11.296 -7.672 4.870 1.00 0.94 O ATOM 1418 CB VAL A 89 -13.259 -9.671 3.066 1.00 0.83 C ATOM 1419 CG1 VAL A 89 -12.271 -10.581 3.813 1.00 0.97 C ATOM 1420 CG2 VAL A 89 -14.668 -10.286 3.179 1.00 1.14 C ATOM 0 H VAL A 89 -14.291 -7.722 1.863 1.00 0.74 H new ATOM 0 HA VAL A 89 -13.706 -8.266 4.622 1.00 0.78 H new ATOM 0 HB VAL A 89 -12.940 -9.605 2.026 1.00 0.83 H new ATOM 0 HG11 VAL A 89 -12.301 -11.582 3.382 1.00 0.97 H new ATOM 0 HG12 VAL A 89 -11.263 -10.176 3.722 1.00 0.97 H new ATOM 0 HG13 VAL A 89 -12.548 -10.631 4.866 1.00 0.97 H new ATOM 0 HG21 VAL A 89 -14.654 -11.303 2.787 1.00 1.14 H new ATOM 0 HG22 VAL A 89 -14.974 -10.305 4.225 1.00 1.14 H new ATOM 0 HG23 VAL A 89 -15.374 -9.686 2.605 1.00 1.14 H new ATOM 1430 N ALA A 90 -11.263 -7.164 2.675 1.00 0.69 N ATOM 1431 CA ALA A 90 -9.930 -6.553 2.675 1.00 0.67 C ATOM 1432 C ALA A 90 -9.839 -5.327 3.600 1.00 0.89 C ATOM 1433 O ALA A 90 -8.849 -5.156 4.316 1.00 0.98 O ATOM 1434 CB ALA A 90 -9.557 -6.224 1.221 1.00 0.70 C ATOM 0 H ALA A 90 -11.704 -7.174 1.755 1.00 0.69 H new ATOM 0 HA ALA A 90 -9.208 -7.259 3.085 1.00 0.67 H new ATOM 0 HB1 ALA A 90 -8.568 -5.767 1.194 1.00 0.70 H new ATOM 0 HB2 ALA A 90 -9.550 -7.140 0.631 1.00 0.70 H new ATOM 0 HB3 ALA A 90 -10.288 -5.530 0.806 1.00 0.70 H new ATOM 1440 N ASP A 91 -10.906 -4.530 3.632 1.00 0.62 N ATOM 1441 CA ASP A 91 -11.064 -3.339 4.470 1.00 0.62 C ATOM 1442 C ASP A 91 -11.113 -3.659 5.970 1.00 1.00 C ATOM 1443 O ASP A 91 -10.609 -2.866 6.767 1.00 1.08 O ATOM 1444 CB ASP A 91 -12.334 -2.619 4.006 1.00 0.60 C ATOM 1445 CG ASP A 91 -12.462 -1.198 4.554 1.00 0.71 C ATOM 1446 OD1 ASP A 91 -11.552 -0.363 4.347 1.00 1.85 O ATOM 1447 OD2 ASP A 91 -13.491 -0.896 5.200 1.00 1.73 O ATOM 0 H ASP A 91 -11.723 -4.704 3.047 1.00 0.62 H new ATOM 0 HA ASP A 91 -10.190 -2.699 4.351 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -12.344 -2.582 2.917 1.00 0.60 H new ATOM 0 HB3 ASP A 91 -13.204 -3.199 4.314 1.00 0.60 H new ATOM 1452 N ARG A 92 -11.657 -4.823 6.363 1.00 0.74 N ATOM 1453 CA ARG A 92 -11.686 -5.259 7.765 1.00 0.82 C ATOM 1454 C ARG A 92 -10.283 -5.361 8.358 1.00 1.38 C ATOM 1455 O ARG A 92 -9.994 -4.741 9.376 1.00 1.71 O ATOM 1456 CB ARG A 92 -12.347 -6.642 7.940 1.00 1.05 C ATOM 1457 CG ARG A 92 -13.696 -6.887 7.280 1.00 1.04 C ATOM 1458 CD ARG A 92 -14.767 -5.846 7.610 1.00 1.81 C ATOM 1459 NE ARG A 92 -16.094 -6.315 7.196 1.00 2.18 N ATOM 1460 CZ ARG A 92 -16.814 -7.307 7.692 1.00 2.73 C ATOM 1461 NH1 ARG A 92 -16.468 -7.943 8.795 1.00 2.98 N ATOM 1462 NH2 ARG A 92 -17.899 -7.676 7.058 1.00 3.97 N ATOM 0 H ARG A 92 -12.088 -5.485 5.718 1.00 0.74 H new ATOM 0 HA ARG A 92 -12.269 -4.497 8.283 1.00 0.82 H new ATOM 0 HB2 ARG A 92 -11.652 -7.392 7.564 1.00 1.05 H new ATOM 0 HB3 ARG A 92 -12.462 -6.822 9.009 1.00 1.05 H new ATOM 0 HG2 ARG A 92 -13.557 -6.915 6.199 1.00 1.04 H new ATOM 0 HG3 ARG A 92 -14.059 -7.870 7.580 1.00 1.04 H new ATOM 0 HD2 ARG A 92 -14.766 -5.643 8.681 1.00 1.81 H new ATOM 0 HD3 ARG A 92 -14.535 -4.907 7.107 1.00 1.81 H new ATOM 0 HE ARG A 92 -16.519 -5.807 6.420 1.00 2.18 H new ATOM 0 HH11 ARG A 92 -15.620 -7.674 9.294 1.00 2.98 H new ATOM 0 HH12 ARG A 92 -17.048 -8.704 9.148 1.00 2.98 H new ATOM 0 HH21 ARG A 92 -18.174 -7.200 6.199 1.00 3.97 H new ATOM 0 HH22 ARG A 92 -18.469 -8.439 7.424 1.00 3.97 H new ATOM 1476 N TYR A 93 -9.422 -6.206 7.781 1.00 1.00 N ATOM 1477 CA TYR A 93 -8.119 -6.526 8.374 1.00 1.16 C ATOM 1478 C TYR A 93 -7.147 -5.346 8.279 1.00 1.28 C ATOM 1479 O TYR A 93 -6.302 -5.165 9.151 1.00 1.52 O ATOM 1480 CB TYR A 93 -7.559 -7.799 7.731 1.00 1.50 C ATOM 1481 CG TYR A 93 -6.604 -8.594 8.610 1.00 2.03 C ATOM 1482 CD1 TYR A 93 -6.999 -9.021 9.897 1.00 3.34 C ATOM 1483 CD2 TYR A 93 -5.329 -8.940 8.130 1.00 2.29 C ATOM 1484 CE1 TYR A 93 -6.122 -9.772 10.702 1.00 3.78 C ATOM 1485 CE2 TYR A 93 -4.457 -9.719 8.915 1.00 2.63 C ATOM 1486 CZ TYR A 93 -4.847 -10.128 10.209 1.00 3.03 C ATOM 1487 OH TYR A 93 -3.997 -10.863 10.971 1.00 3.62 O ATOM 0 H TYR A 93 -9.606 -6.683 6.898 1.00 1.00 H new ATOM 0 HA TYR A 93 -8.253 -6.716 9.439 1.00 1.16 H new ATOM 0 HB2 TYR A 93 -8.392 -8.443 7.449 1.00 1.50 H new ATOM 0 HB3 TYR A 93 -7.042 -7.527 6.811 1.00 1.50 H new ATOM 0 HD1 TYR A 93 -7.982 -8.769 10.267 1.00 3.34 H new ATOM 0 HD2 TYR A 93 -5.016 -8.606 7.152 1.00 2.29 H new ATOM 0 HE1 TYR A 93 -6.423 -10.075 11.694 1.00 3.78 H new ATOM 0 HE2 TYR A 93 -3.490 -10.004 8.527 1.00 2.63 H new ATOM 0 HH TYR A 93 -3.165 -11.018 10.477 1.00 3.62 H new ATOM 1497 N ALA A 94 -7.344 -4.496 7.267 1.00 0.78 N ATOM 1498 CA ALA A 94 -6.711 -3.189 7.150 1.00 0.65 C ATOM 1499 C ALA A 94 -7.124 -2.249 8.300 1.00 0.89 C ATOM 1500 O ALA A 94 -6.259 -1.791 9.044 1.00 0.97 O ATOM 1501 CB ALA A 94 -7.046 -2.632 5.758 1.00 0.64 C ATOM 0 H ALA A 94 -7.966 -4.709 6.487 1.00 0.78 H new ATOM 0 HA ALA A 94 -5.629 -3.277 7.244 1.00 0.65 H new ATOM 0 HB1 ALA A 94 -6.586 -1.651 5.638 1.00 0.64 H new ATOM 0 HB2 ALA A 94 -6.663 -3.308 4.994 1.00 0.64 H new ATOM 0 HB3 ALA A 94 -8.127 -2.540 5.653 1.00 0.64 H new ATOM 1507 N LYS A 95 -8.420 -1.984 8.517 1.00 0.73 N ATOM 1508 CA LYS A 95 -8.858 -1.111 9.623 1.00 0.90 C ATOM 1509 C LYS A 95 -8.691 -1.702 11.028 1.00 1.09 C ATOM 1510 O LYS A 95 -8.660 -0.946 11.998 1.00 1.28 O ATOM 1511 CB LYS A 95 -10.279 -0.568 9.386 1.00 1.25 C ATOM 1512 CG LYS A 95 -10.203 0.706 8.524 1.00 1.88 C ATOM 1513 CD LYS A 95 -11.450 1.595 8.628 1.00 1.42 C ATOM 1514 CE LYS A 95 -12.628 1.043 7.825 1.00 1.30 C ATOM 1515 NZ LYS A 95 -12.438 1.270 6.379 1.00 1.32 N ATOM 0 H LYS A 95 -9.180 -2.357 7.948 1.00 0.73 H new ATOM 0 HA LYS A 95 -8.163 -0.272 9.606 1.00 0.90 H new ATOM 0 HB2 LYS A 95 -10.890 -1.321 8.888 1.00 1.25 H new ATOM 0 HB3 LYS A 95 -10.759 -0.347 10.339 1.00 1.25 H new ATOM 0 HG2 LYS A 95 -9.329 1.285 8.822 1.00 1.88 H new ATOM 0 HG3 LYS A 95 -10.056 0.421 7.482 1.00 1.88 H new ATOM 0 HD2 LYS A 95 -11.740 1.689 9.675 1.00 1.42 H new ATOM 0 HD3 LYS A 95 -11.209 2.597 8.273 1.00 1.42 H new ATOM 0 HE2 LYS A 95 -12.735 -0.024 8.018 1.00 1.30 H new ATOM 0 HE3 LYS A 95 -13.551 1.520 8.153 1.00 1.30 H new ATOM 0 HZ1 LYS A 95 -13.209 0.812 5.852 1.00 1.32 H new ATOM 0 HZ2 LYS A 95 -12.444 2.292 6.184 1.00 1.32 H new ATOM 0 HZ3 LYS A 95 -11.527 0.866 6.081 1.00 1.32 H new ATOM 1529 N ALA A 96 -8.534 -3.023 11.157 1.00 0.95 N ATOM 1530 CA ALA A 96 -8.268 -3.709 12.424 1.00 1.02 C ATOM 1531 C ALA A 96 -6.974 -3.224 13.100 1.00 1.28 C ATOM 1532 O ALA A 96 -6.891 -3.255 14.325 1.00 1.45 O ATOM 1533 CB ALA A 96 -8.239 -5.223 12.169 1.00 1.08 C ATOM 0 H ALA A 96 -8.590 -3.660 10.363 1.00 0.95 H new ATOM 0 HA ALA A 96 -9.070 -3.470 13.123 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -8.042 -5.746 13.105 1.00 1.08 H new ATOM 0 HB2 ALA A 96 -9.202 -5.543 11.770 1.00 1.08 H new ATOM 0 HB3 ALA A 96 -7.453 -5.456 11.451 1.00 1.08 H new ATOM 1539 N PHE A 97 -5.997 -2.742 12.320 1.00 1.15 N ATOM 1540 CA PHE A 97 -4.795 -2.089 12.843 1.00 1.21 C ATOM 1541 C PHE A 97 -5.004 -0.634 13.281 1.00 2.22 C ATOM 1542 O PHE A 97 -4.405 -0.211 14.272 1.00 2.57 O ATOM 1543 CB PHE A 97 -3.686 -2.197 11.788 1.00 1.27 C ATOM 1544 CG PHE A 97 -2.984 -3.523 11.933 1.00 1.43 C ATOM 1545 CD1 PHE A 97 -3.456 -4.657 11.253 1.00 1.62 C ATOM 1546 CD2 PHE A 97 -1.964 -3.648 12.890 1.00 3.14 C ATOM 1547 CE1 PHE A 97 -2.914 -5.921 11.540 1.00 1.61 C ATOM 1548 CE2 PHE A 97 -1.423 -4.910 13.179 1.00 3.18 C ATOM 1549 CZ PHE A 97 -1.907 -6.048 12.513 1.00 1.70 C ATOM 0 H PHE A 97 -6.021 -2.796 11.302 1.00 1.15 H new ATOM 0 HA PHE A 97 -4.513 -2.610 13.758 1.00 1.21 H new ATOM 0 HB2 PHE A 97 -4.110 -2.105 10.788 1.00 1.27 H new ATOM 0 HB3 PHE A 97 -2.974 -1.381 11.908 1.00 1.27 H new ATOM 0 HD1 PHE A 97 -4.234 -4.558 10.511 1.00 1.62 H new ATOM 0 HD2 PHE A 97 -1.596 -2.772 13.404 1.00 3.14 H new ATOM 0 HE1 PHE A 97 -3.270 -6.794 11.014 1.00 1.61 H new ATOM 0 HE2 PHE A 97 -0.636 -5.006 13.912 1.00 3.18 H new ATOM 0 HZ PHE A 97 -1.505 -7.022 12.749 1.00 1.70 H new ATOM 1559 N HIS A 98 -5.822 0.132 12.556 1.00 1.19 N ATOM 1560 CA HIS A 98 -6.090 1.559 12.794 1.00 1.19 C ATOM 1561 C HIS A 98 -7.170 2.072 11.807 1.00 1.31 C ATOM 1562 O HIS A 98 -7.156 1.636 10.657 1.00 1.35 O ATOM 1563 CB HIS A 98 -4.778 2.364 12.634 1.00 1.29 C ATOM 1564 CG HIS A 98 -4.782 3.706 13.315 1.00 1.98 C ATOM 1565 ND1 HIS A 98 -4.859 4.944 12.713 1.00 2.64 N ATOM 1566 CD2 HIS A 98 -4.731 3.928 14.667 1.00 2.64 C ATOM 1567 CE1 HIS A 98 -4.910 5.872 13.675 1.00 3.38 C ATOM 1568 NE2 HIS A 98 -4.846 5.301 14.887 1.00 3.46 N ATOM 0 H HIS A 98 -6.337 -0.235 11.756 1.00 1.19 H new ATOM 0 HA HIS A 98 -6.465 1.693 13.809 1.00 1.19 H new ATOM 0 HB2 HIS A 98 -3.953 1.772 13.030 1.00 1.29 H new ATOM 0 HB3 HIS A 98 -4.584 2.510 11.571 1.00 1.29 H new ATOM 0 HD1 HIS A 98 -4.874 5.121 11.709 1.00 2.64 H new ATOM 0 HD2 HIS A 98 -4.621 3.171 15.430 1.00 2.64 H new ATOM 0 HE1 HIS A 98 -4.991 6.935 13.500 1.00 3.38 H new ATOM 1577 N PRO A 99 -8.050 3.031 12.167 1.00 1.17 N ATOM 1578 CA PRO A 99 -9.090 3.547 11.264 1.00 1.30 C ATOM 1579 C PRO A 99 -8.576 4.387 10.078 1.00 1.52 C ATOM 1580 O PRO A 99 -9.349 4.680 9.173 1.00 1.56 O ATOM 1581 CB PRO A 99 -10.036 4.359 12.157 1.00 1.62 C ATOM 1582 CG PRO A 99 -9.143 4.803 13.312 1.00 1.60 C ATOM 1583 CD PRO A 99 -8.227 3.598 13.498 1.00 1.35 C ATOM 0 HA PRO A 99 -9.581 2.709 10.769 1.00 1.30 H new ATOM 0 HB2 PRO A 99 -10.457 5.212 11.625 1.00 1.62 H new ATOM 0 HB3 PRO A 99 -10.874 3.756 12.507 1.00 1.62 H new ATOM 0 HG2 PRO A 99 -8.583 5.706 13.069 1.00 1.60 H new ATOM 0 HG3 PRO A 99 -9.719 5.018 14.212 1.00 1.60 H new ATOM 0 HD2 PRO A 99 -7.270 3.895 13.928 1.00 1.35 H new ATOM 0 HD3 PRO A 99 -8.670 2.870 14.178 1.00 1.35 H new ATOM 1591 N SER A 100 -7.292 4.754 10.036 1.00 1.23 N ATOM 1592 CA SER A 100 -6.653 5.532 8.944 1.00 1.39 C ATOM 1593 C SER A 100 -6.330 4.686 7.690 1.00 1.34 C ATOM 1594 O SER A 100 -5.448 5.025 6.892 1.00 1.58 O ATOM 1595 CB SER A 100 -5.387 6.219 9.484 1.00 1.63 C ATOM 1596 OG SER A 100 -5.656 6.875 10.709 1.00 2.26 O ATOM 0 H SER A 100 -6.638 4.515 10.781 1.00 1.23 H new ATOM 0 HA SER A 100 -7.374 6.280 8.614 1.00 1.39 H new ATOM 0 HB2 SER A 100 -4.599 5.479 9.627 1.00 1.63 H new ATOM 0 HB3 SER A 100 -5.019 6.939 8.754 1.00 1.63 H new ATOM 0 HG SER A 100 -4.942 7.519 10.899 1.00 2.26 H new ATOM 1602 N PHE A 101 -7.006 3.542 7.562 1.00 1.02 N ATOM 1603 CA PHE A 101 -6.818 2.531 6.536 1.00 0.84 C ATOM 1604 C PHE A 101 -8.091 2.421 5.675 1.00 1.88 C ATOM 1605 O PHE A 101 -9.215 2.495 6.183 1.00 2.36 O ATOM 1606 CB PHE A 101 -6.463 1.185 7.198 1.00 0.90 C ATOM 1607 CG PHE A 101 -5.039 1.049 7.729 1.00 1.16 C ATOM 1608 CD1 PHE A 101 -4.562 1.876 8.766 1.00 2.41 C ATOM 1609 CD2 PHE A 101 -4.176 0.068 7.196 1.00 1.87 C ATOM 1610 CE1 PHE A 101 -3.245 1.752 9.242 1.00 2.59 C ATOM 1611 CE2 PHE A 101 -2.868 -0.073 7.692 1.00 1.87 C ATOM 1612 CZ PHE A 101 -2.397 0.769 8.710 1.00 1.87 C ATOM 0 H PHE A 101 -7.745 3.287 8.217 1.00 1.02 H new ATOM 0 HA PHE A 101 -5.994 2.813 5.881 1.00 0.84 H new ATOM 0 HB2 PHE A 101 -7.154 1.017 8.024 1.00 0.90 H new ATOM 0 HB3 PHE A 101 -6.635 0.390 6.472 1.00 0.90 H new ATOM 0 HD1 PHE A 101 -5.218 2.616 9.201 1.00 2.41 H new ATOM 0 HD2 PHE A 101 -4.522 -0.578 6.403 1.00 1.87 H new ATOM 0 HE1 PHE A 101 -2.886 2.413 10.017 1.00 2.59 H new ATOM 0 HE2 PHE A 101 -2.221 -0.836 7.286 1.00 1.87 H new ATOM 0 HZ PHE A 101 -1.389 0.661 9.082 1.00 1.87 H new ATOM 1622 N LEU A 102 -7.909 2.200 4.370 1.00 0.75 N ATOM 1623 CA LEU A 102 -8.966 1.848 3.417 1.00 0.70 C ATOM 1624 C LEU A 102 -8.554 0.578 2.657 1.00 0.90 C ATOM 1625 O LEU A 102 -7.423 0.512 2.171 1.00 1.16 O ATOM 1626 CB LEU A 102 -9.163 3.039 2.450 1.00 0.74 C ATOM 1627 CG LEU A 102 -10.598 3.280 1.944 1.00 1.04 C ATOM 1628 CD1 LEU A 102 -11.233 2.053 1.286 1.00 1.14 C ATOM 1629 CD2 LEU A 102 -11.508 3.791 3.075 1.00 2.31 C ATOM 0 H LEU A 102 -6.990 2.263 3.933 1.00 0.75 H new ATOM 0 HA LEU A 102 -9.907 1.648 3.930 1.00 0.70 H new ATOM 0 HB2 LEU A 102 -8.820 3.945 2.950 1.00 0.74 H new ATOM 0 HB3 LEU A 102 -8.517 2.888 1.585 1.00 0.74 H new ATOM 0 HG LEU A 102 -10.507 4.044 1.172 1.00 1.04 H new ATOM 0 HD11 LEU A 102 -12.242 2.299 0.955 1.00 1.14 H new ATOM 0 HD12 LEU A 102 -10.634 1.749 0.428 1.00 1.14 H new ATOM 0 HD13 LEU A 102 -11.276 1.236 2.006 1.00 1.14 H new ATOM 0 HD21 LEU A 102 -12.514 3.952 2.688 1.00 2.31 H new ATOM 0 HD22 LEU A 102 -11.541 3.053 3.877 1.00 2.31 H new ATOM 0 HD23 LEU A 102 -11.114 4.730 3.463 1.00 2.31 H new ATOM 1641 N GLY A 103 -9.449 -0.403 2.544 1.00 0.60 N ATOM 1642 CA GLY A 103 -9.271 -1.626 1.758 1.00 0.58 C ATOM 1643 C GLY A 103 -9.962 -1.512 0.403 1.00 0.66 C ATOM 1644 O GLY A 103 -11.127 -1.113 0.334 1.00 0.80 O ATOM 0 H GLY A 103 -10.353 -0.367 3.015 1.00 0.60 H new ATOM 0 HA2 GLY A 103 -8.208 -1.817 1.613 1.00 0.58 H new ATOM 0 HA3 GLY A 103 -9.676 -2.477 2.306 1.00 0.58 H new ATOM 1648 N LEU A 104 -9.256 -1.885 -0.665 1.00 0.47 N ATOM 1649 CA LEU A 104 -9.705 -1.727 -2.047 1.00 0.49 C ATOM 1650 C LEU A 104 -9.544 -3.029 -2.841 1.00 1.04 C ATOM 1651 O LEU A 104 -8.444 -3.550 -2.991 1.00 1.28 O ATOM 1652 CB LEU A 104 -8.901 -0.594 -2.713 1.00 0.54 C ATOM 1653 CG LEU A 104 -9.067 0.817 -2.115 1.00 0.76 C ATOM 1654 CD1 LEU A 104 -8.117 1.776 -2.844 1.00 0.88 C ATOM 1655 CD2 LEU A 104 -10.505 1.336 -2.249 1.00 1.18 C ATOM 0 H LEU A 104 -8.334 -2.315 -0.590 1.00 0.47 H new ATOM 0 HA LEU A 104 -10.766 -1.475 -2.042 1.00 0.49 H new ATOM 0 HB2 LEU A 104 -7.844 -0.858 -2.673 1.00 0.54 H new ATOM 0 HB3 LEU A 104 -9.180 -0.552 -3.766 1.00 0.54 H new ATOM 0 HG LEU A 104 -8.832 0.763 -1.052 1.00 0.76 H new ATOM 0 HD11 LEU A 104 -8.224 2.779 -2.430 1.00 0.88 H new ATOM 0 HD12 LEU A 104 -7.089 1.438 -2.714 1.00 0.88 H new ATOM 0 HD13 LEU A 104 -8.362 1.793 -3.906 1.00 0.88 H new ATOM 0 HD21 LEU A 104 -10.574 2.333 -1.814 1.00 1.18 H new ATOM 0 HD22 LEU A 104 -10.779 1.380 -3.303 1.00 1.18 H new ATOM 0 HD23 LEU A 104 -11.185 0.664 -1.725 1.00 1.18 H new ATOM 1667 N SER A 105 -10.628 -3.568 -3.383 1.00 0.49 N ATOM 1668 CA SER A 105 -10.591 -4.552 -4.469 1.00 0.55 C ATOM 1669 C SER A 105 -11.835 -4.394 -5.350 1.00 0.87 C ATOM 1670 O SER A 105 -12.873 -3.958 -4.858 1.00 1.16 O ATOM 1671 CB SER A 105 -10.457 -5.967 -3.910 1.00 0.64 C ATOM 1672 OG SER A 105 -10.010 -6.864 -4.907 1.00 1.03 O ATOM 0 H SER A 105 -11.573 -3.334 -3.080 1.00 0.49 H new ATOM 0 HA SER A 105 -9.714 -4.374 -5.092 1.00 0.55 H new ATOM 0 HB2 SER A 105 -9.757 -5.967 -3.075 1.00 0.64 H new ATOM 0 HB3 SER A 105 -11.419 -6.301 -3.520 1.00 0.64 H new ATOM 0 HG SER A 105 -9.353 -7.481 -4.522 1.00 1.03 H new ATOM 1678 N GLY A 106 -11.765 -4.765 -6.625 1.00 0.72 N ATOM 1679 CA GLY A 106 -12.907 -4.704 -7.541 1.00 0.81 C ATOM 1680 C GLY A 106 -12.829 -5.798 -8.587 1.00 0.93 C ATOM 1681 O GLY A 106 -12.569 -6.961 -8.285 1.00 1.33 O ATOM 0 H GLY A 106 -10.911 -5.119 -7.057 1.00 0.72 H new ATOM 0 HA2 GLY A 106 -13.835 -4.802 -6.977 1.00 0.81 H new ATOM 0 HA3 GLY A 106 -12.933 -3.730 -8.030 1.00 0.81 H new ATOM 1685 N SER A 107 -13.005 -5.431 -9.850 1.00 0.72 N ATOM 1686 CA SER A 107 -12.615 -6.329 -10.934 1.00 0.98 C ATOM 1687 C SER A 107 -11.082 -6.544 -10.958 1.00 1.28 C ATOM 1688 O SER A 107 -10.311 -5.617 -10.647 1.00 1.24 O ATOM 1689 CB SER A 107 -13.176 -5.845 -12.283 1.00 1.30 C ATOM 1690 OG SER A 107 -12.532 -4.677 -12.759 1.00 1.68 O ATOM 0 H SER A 107 -13.405 -4.541 -10.147 1.00 0.72 H new ATOM 0 HA SER A 107 -13.059 -7.307 -10.749 1.00 0.98 H new ATOM 0 HB2 SER A 107 -13.069 -6.640 -13.022 1.00 1.30 H new ATOM 0 HB3 SER A 107 -14.243 -5.649 -12.178 1.00 1.30 H new ATOM 0 HG SER A 107 -12.924 -4.414 -13.618 1.00 1.68 H new ATOM 1696 N PRO A 108 -10.608 -7.740 -11.366 1.00 1.37 N ATOM 1697 CA PRO A 108 -9.180 -8.009 -11.494 1.00 1.54 C ATOM 1698 C PRO A 108 -8.517 -7.037 -12.476 1.00 1.59 C ATOM 1699 O PRO A 108 -7.359 -6.700 -12.280 1.00 1.49 O ATOM 1700 CB PRO A 108 -9.055 -9.470 -11.933 1.00 1.81 C ATOM 1701 CG PRO A 108 -10.401 -9.770 -12.589 1.00 1.83 C ATOM 1702 CD PRO A 108 -11.373 -8.909 -11.783 1.00 1.57 C ATOM 0 HA PRO A 108 -8.658 -7.856 -10.550 1.00 1.54 H new ATOM 0 HB2 PRO A 108 -8.230 -9.609 -12.632 1.00 1.81 H new ATOM 0 HB3 PRO A 108 -8.868 -10.128 -11.084 1.00 1.81 H new ATOM 0 HG2 PRO A 108 -10.404 -9.502 -13.645 1.00 1.83 H new ATOM 0 HG3 PRO A 108 -10.653 -10.829 -12.528 1.00 1.83 H new ATOM 0 HD2 PRO A 108 -12.233 -8.620 -12.386 1.00 1.57 H new ATOM 0 HD3 PRO A 108 -11.757 -9.454 -10.921 1.00 1.57 H new ATOM 1710 N GLU A 109 -9.244 -6.523 -13.473 1.00 1.37 N ATOM 1711 CA GLU A 109 -8.730 -5.513 -14.402 1.00 1.34 C ATOM 1712 C GLU A 109 -8.536 -4.133 -13.739 1.00 1.29 C ATOM 1713 O GLU A 109 -7.565 -3.444 -14.036 1.00 1.33 O ATOM 1714 CB GLU A 109 -9.653 -5.436 -15.629 1.00 1.58 C ATOM 1715 CG GLU A 109 -9.877 -6.786 -16.341 1.00 2.16 C ATOM 1716 CD GLU A 109 -8.611 -7.328 -17.006 1.00 3.49 C ATOM 1717 OE1 GLU A 109 -7.650 -7.698 -16.297 1.00 4.59 O ATOM 1718 OE2 GLU A 109 -8.558 -7.314 -18.253 1.00 4.31 O ATOM 0 H GLU A 109 -10.209 -6.797 -13.659 1.00 1.37 H new ATOM 0 HA GLU A 109 -7.735 -5.821 -14.722 1.00 1.34 H new ATOM 0 HB2 GLU A 109 -10.619 -5.038 -15.318 1.00 1.58 H new ATOM 0 HB3 GLU A 109 -9.231 -4.728 -16.342 1.00 1.58 H new ATOM 0 HG2 GLU A 109 -10.242 -7.516 -15.618 1.00 2.16 H new ATOM 0 HG3 GLU A 109 -10.655 -6.668 -17.095 1.00 2.16 H new ATOM 1725 N ALA A 110 -9.390 -3.736 -12.781 1.00 1.03 N ATOM 1726 CA ALA A 110 -9.127 -2.556 -11.941 1.00 0.89 C ATOM 1727 C ALA A 110 -7.898 -2.783 -11.052 1.00 0.96 C ATOM 1728 O ALA A 110 -6.990 -1.952 -11.030 1.00 0.95 O ATOM 1729 CB ALA A 110 -10.387 -2.220 -11.128 1.00 0.90 C ATOM 0 H ALA A 110 -10.266 -4.214 -12.569 1.00 1.03 H new ATOM 0 HA ALA A 110 -8.895 -1.698 -12.572 1.00 0.89 H new ATOM 0 HB1 ALA A 110 -10.196 -1.347 -10.505 1.00 0.90 H new ATOM 0 HB2 ALA A 110 -11.212 -2.007 -11.807 1.00 0.90 H new ATOM 0 HB3 ALA A 110 -10.648 -3.068 -10.494 1.00 0.90 H new ATOM 1735 N VAL A 111 -7.825 -3.945 -10.393 1.00 0.88 N ATOM 1736 CA VAL A 111 -6.643 -4.356 -9.606 1.00 0.89 C ATOM 1737 C VAL A 111 -5.363 -4.319 -10.467 1.00 1.16 C ATOM 1738 O VAL A 111 -4.306 -3.895 -9.997 1.00 1.06 O ATOM 1739 CB VAL A 111 -6.879 -5.744 -8.963 1.00 0.93 C ATOM 1740 CG1 VAL A 111 -5.613 -6.362 -8.352 1.00 1.27 C ATOM 1741 CG2 VAL A 111 -7.982 -5.657 -7.889 1.00 1.34 C ATOM 0 H VAL A 111 -8.580 -4.631 -10.386 1.00 0.88 H new ATOM 0 HA VAL A 111 -6.496 -3.642 -8.796 1.00 0.89 H new ATOM 0 HB VAL A 111 -7.191 -6.402 -9.774 1.00 0.93 H new ATOM 0 HG11 VAL A 111 -5.854 -7.333 -7.920 1.00 1.27 H new ATOM 0 HG12 VAL A 111 -4.858 -6.487 -9.128 1.00 1.27 H new ATOM 0 HG13 VAL A 111 -5.227 -5.705 -7.573 1.00 1.27 H new ATOM 0 HG21 VAL A 111 -8.137 -6.641 -7.446 1.00 1.34 H new ATOM 0 HG22 VAL A 111 -7.680 -4.953 -7.114 1.00 1.34 H new ATOM 0 HG23 VAL A 111 -8.910 -5.316 -8.347 1.00 1.34 H new ATOM 1751 N ARG A 112 -5.469 -4.693 -11.749 1.00 0.93 N ATOM 1752 CA ARG A 112 -4.378 -4.683 -12.722 1.00 0.93 C ATOM 1753 C ARG A 112 -3.869 -3.271 -13.035 1.00 1.20 C ATOM 1754 O ARG A 112 -2.660 -3.114 -13.196 1.00 1.24 O ATOM 1755 CB ARG A 112 -4.833 -5.435 -13.983 1.00 0.99 C ATOM 1756 CG ARG A 112 -3.680 -5.707 -14.948 1.00 1.39 C ATOM 1757 CD ARG A 112 -3.940 -6.923 -15.844 1.00 2.02 C ATOM 1758 NE ARG A 112 -5.068 -6.743 -16.770 1.00 3.01 N ATOM 1759 CZ ARG A 112 -5.039 -6.173 -17.967 1.00 3.85 C ATOM 1760 NH1 ARG A 112 -3.980 -5.544 -18.440 1.00 4.11 N ATOM 1761 NH2 ARG A 112 -6.101 -6.231 -18.736 1.00 5.26 N ATOM 0 H ARG A 112 -6.349 -5.022 -12.147 1.00 0.93 H new ATOM 0 HA ARG A 112 -3.520 -5.196 -12.288 1.00 0.93 H new ATOM 0 HB2 ARG A 112 -5.291 -6.381 -13.693 1.00 0.99 H new ATOM 0 HB3 ARG A 112 -5.600 -4.852 -14.493 1.00 0.99 H new ATOM 0 HG2 ARG A 112 -3.517 -4.828 -15.572 1.00 1.39 H new ATOM 0 HG3 ARG A 112 -2.764 -5.868 -14.379 1.00 1.39 H new ATOM 0 HD2 ARG A 112 -3.040 -7.139 -16.419 1.00 2.02 H new ATOM 0 HD3 ARG A 112 -4.132 -7.792 -15.215 1.00 2.02 H new ATOM 0 HE ARG A 112 -5.973 -7.095 -16.457 1.00 3.01 H new ATOM 0 HH11 ARG A 112 -3.132 -5.480 -17.877 1.00 4.11 H new ATOM 0 HH12 ARG A 112 -4.010 -5.122 -19.368 1.00 4.11 H new ATOM 0 HH21 ARG A 112 -6.940 -6.712 -18.411 1.00 5.26 H new ATOM 0 HH22 ARG A 112 -6.087 -5.795 -19.658 1.00 5.26 H new ATOM 1775 N GLU A 113 -4.721 -2.249 -13.038 1.00 1.00 N ATOM 1776 CA GLU A 113 -4.260 -0.873 -13.266 1.00 1.02 C ATOM 1777 C GLU A 113 -3.434 -0.329 -12.090 1.00 1.38 C ATOM 1778 O GLU A 113 -2.364 0.234 -12.300 1.00 1.42 O ATOM 1779 CB GLU A 113 -5.425 0.030 -13.648 1.00 0.97 C ATOM 1780 CG GLU A 113 -5.962 -0.365 -15.031 1.00 1.24 C ATOM 1781 CD GLU A 113 -5.015 -0.028 -16.186 1.00 1.94 C ATOM 1782 OE1 GLU A 113 -4.058 -0.807 -16.427 1.00 3.15 O ATOM 1783 OE2 GLU A 113 -5.268 1.014 -16.829 1.00 2.47 O ATOM 0 H GLU A 113 -5.726 -2.341 -12.887 1.00 1.00 H new ATOM 0 HA GLU A 113 -3.575 -0.886 -14.114 1.00 1.02 H new ATOM 0 HB2 GLU A 113 -6.218 -0.050 -12.904 1.00 0.97 H new ATOM 0 HB3 GLU A 113 -5.101 1.071 -13.658 1.00 0.97 H new ATOM 0 HG2 GLU A 113 -6.162 -1.436 -15.039 1.00 1.24 H new ATOM 0 HG3 GLU A 113 -6.915 0.138 -15.197 1.00 1.24 H new ATOM 1790 N ALA A 114 -3.845 -0.584 -10.840 1.00 1.01 N ATOM 1791 CA ALA A 114 -3.020 -0.255 -9.666 1.00 1.03 C ATOM 1792 C ALA A 114 -1.680 -1.003 -9.636 1.00 1.18 C ATOM 1793 O ALA A 114 -0.691 -0.481 -9.126 1.00 1.44 O ATOM 1794 CB ALA A 114 -3.829 -0.538 -8.398 1.00 1.08 C ATOM 0 H ALA A 114 -4.741 -1.016 -10.615 1.00 1.01 H new ATOM 0 HA ALA A 114 -2.765 0.803 -9.726 1.00 1.03 H new ATOM 0 HB1 ALA A 114 -3.227 -0.298 -7.521 1.00 1.08 H new ATOM 0 HB2 ALA A 114 -4.731 0.074 -8.398 1.00 1.08 H new ATOM 0 HB3 ALA A 114 -4.106 -1.592 -8.370 1.00 1.08 H new ATOM 1800 N ALA A 115 -1.645 -2.223 -10.170 1.00 0.75 N ATOM 1801 CA ALA A 115 -0.429 -3.010 -10.285 1.00 0.69 C ATOM 1802 C ALA A 115 0.525 -2.500 -11.382 1.00 0.85 C ATOM 1803 O ALA A 115 1.704 -2.238 -11.119 1.00 0.90 O ATOM 1804 CB ALA A 115 -0.849 -4.457 -10.533 1.00 0.67 C ATOM 0 H ALA A 115 -2.472 -2.693 -10.538 1.00 0.75 H new ATOM 0 HA ALA A 115 0.143 -2.923 -9.361 1.00 0.69 H new ATOM 0 HB1 ALA A 115 0.039 -5.083 -10.626 1.00 0.67 H new ATOM 0 HB2 ALA A 115 -1.455 -4.808 -9.698 1.00 0.67 H new ATOM 0 HB3 ALA A 115 -1.431 -4.514 -11.453 1.00 0.67 H new ATOM 1810 N GLN A 116 0.018 -2.405 -12.616 1.00 0.68 N ATOM 1811 CA GLN A 116 0.788 -2.147 -13.833 1.00 0.75 C ATOM 1812 C GLN A 116 1.520 -0.813 -13.752 1.00 1.15 C ATOM 1813 O GLN A 116 2.676 -0.754 -14.171 1.00 1.27 O ATOM 1814 CB GLN A 116 -0.134 -2.184 -15.073 1.00 0.87 C ATOM 1815 CG GLN A 116 -0.479 -3.627 -15.491 1.00 1.39 C ATOM 1816 CD GLN A 116 -1.419 -3.781 -16.699 1.00 2.20 C ATOM 1817 OE1 GLN A 116 -1.452 -4.831 -17.330 1.00 2.49 O ATOM 1818 NE2 GLN A 116 -2.251 -2.826 -17.061 1.00 3.43 N ATOM 0 H GLN A 116 -0.980 -2.510 -12.799 1.00 0.68 H new ATOM 0 HA GLN A 116 1.536 -2.934 -13.929 1.00 0.75 H new ATOM 0 HB2 GLN A 116 -1.053 -1.639 -14.858 1.00 0.87 H new ATOM 0 HB3 GLN A 116 0.353 -1.672 -15.903 1.00 0.87 H new ATOM 0 HG2 GLN A 116 0.451 -4.151 -15.712 1.00 1.39 H new ATOM 0 HG3 GLN A 116 -0.933 -4.131 -14.638 1.00 1.39 H new ATOM 0 HE21 GLN A 116 -2.255 -1.937 -16.561 1.00 3.43 H new ATOM 0 HE22 GLN A 116 -2.891 -2.976 -17.841 1.00 3.43 H new ATOM 1827 N THR A 117 0.891 0.216 -13.176 1.00 0.73 N ATOM 1828 CA THR A 117 1.464 1.572 -13.100 1.00 0.84 C ATOM 1829 C THR A 117 2.761 1.594 -12.293 1.00 1.28 C ATOM 1830 O THR A 117 3.733 2.231 -12.692 1.00 1.32 O ATOM 1831 CB THR A 117 0.416 2.539 -12.533 1.00 0.97 C ATOM 1832 OG1 THR A 117 -0.686 2.537 -13.409 1.00 1.17 O ATOM 1833 CG2 THR A 117 0.920 3.978 -12.444 1.00 1.20 C ATOM 0 H THR A 117 -0.031 0.137 -12.747 1.00 0.73 H new ATOM 0 HA THR A 117 1.729 1.899 -14.105 1.00 0.84 H new ATOM 0 HB THR A 117 0.168 2.204 -11.526 1.00 0.97 H new ATOM 0 HG1 THR A 117 -1.315 1.835 -13.141 1.00 1.17 H new ATOM 0 HG21 THR A 117 0.135 4.614 -12.036 1.00 1.20 H new ATOM 0 HG22 THR A 117 1.794 4.018 -11.794 1.00 1.20 H new ATOM 0 HG23 THR A 117 1.192 4.330 -13.439 1.00 1.20 H new ATOM 1841 N PHE A 118 2.787 0.911 -11.147 1.00 0.98 N ATOM 1842 CA PHE A 118 3.979 0.718 -10.319 1.00 1.15 C ATOM 1843 C PHE A 118 4.998 -0.310 -10.855 1.00 2.16 C ATOM 1844 O PHE A 118 6.119 -0.357 -10.350 1.00 2.55 O ATOM 1845 CB PHE A 118 3.526 0.347 -8.904 1.00 1.24 C ATOM 1846 CG PHE A 118 2.557 1.299 -8.219 1.00 1.17 C ATOM 1847 CD1 PHE A 118 2.567 2.687 -8.470 1.00 2.15 C ATOM 1848 CD2 PHE A 118 1.630 0.773 -7.305 1.00 2.20 C ATOM 1849 CE1 PHE A 118 1.664 3.532 -7.804 1.00 1.82 C ATOM 1850 CE2 PHE A 118 0.720 1.617 -6.645 1.00 2.41 C ATOM 1851 CZ PHE A 118 0.740 3.000 -6.890 1.00 1.35 C ATOM 0 H PHE A 118 1.956 0.464 -10.759 1.00 0.98 H new ATOM 0 HA PHE A 118 4.525 1.661 -10.333 1.00 1.15 H new ATOM 0 HB2 PHE A 118 3.062 -0.638 -8.944 1.00 1.24 H new ATOM 0 HB3 PHE A 118 4.413 0.256 -8.277 1.00 1.24 H new ATOM 0 HD1 PHE A 118 3.271 3.101 -9.176 1.00 2.15 H new ATOM 0 HD2 PHE A 118 1.616 -0.289 -7.107 1.00 2.20 H new ATOM 0 HE1 PHE A 118 1.680 4.595 -7.996 1.00 1.82 H new ATOM 0 HE2 PHE A 118 0.005 1.202 -5.950 1.00 2.41 H new ATOM 0 HZ PHE A 118 0.048 3.652 -6.378 1.00 1.35 H new ATOM 1861 N GLY A 119 4.593 -1.185 -11.787 1.00 1.02 N ATOM 1862 CA GLY A 119 5.339 -2.390 -12.189 1.00 1.05 C ATOM 1863 C GLY A 119 5.094 -3.618 -11.307 1.00 0.95 C ATOM 1864 O GLY A 119 5.876 -4.563 -11.360 1.00 1.20 O ATOM 0 H GLY A 119 3.716 -1.073 -12.296 1.00 1.02 H new ATOM 0 HA2 GLY A 119 5.074 -2.639 -13.217 1.00 1.05 H new ATOM 0 HA3 GLY A 119 6.405 -2.161 -12.181 1.00 1.05 H new ATOM 1868 N VAL A 120 4.019 -3.629 -10.518 1.00 0.61 N ATOM 1869 CA VAL A 120 3.560 -4.799 -9.743 1.00 0.52 C ATOM 1870 C VAL A 120 2.849 -5.782 -10.678 1.00 0.74 C ATOM 1871 O VAL A 120 2.304 -5.407 -11.719 1.00 0.94 O ATOM 1872 CB VAL A 120 2.646 -4.373 -8.566 1.00 0.65 C ATOM 1873 CG1 VAL A 120 1.840 -5.482 -7.861 1.00 0.83 C ATOM 1874 CG2 VAL A 120 3.476 -3.652 -7.506 1.00 1.32 C ATOM 0 H VAL A 120 3.425 -2.810 -10.392 1.00 0.61 H new ATOM 0 HA VAL A 120 4.426 -5.295 -9.305 1.00 0.52 H new ATOM 0 HB VAL A 120 1.902 -3.736 -9.044 1.00 0.65 H new ATOM 0 HG11 VAL A 120 1.245 -5.045 -7.059 1.00 0.83 H new ATOM 0 HG12 VAL A 120 1.180 -5.965 -8.581 1.00 0.83 H new ATOM 0 HG13 VAL A 120 2.525 -6.220 -7.444 1.00 0.83 H new ATOM 0 HG21 VAL A 120 2.831 -3.354 -6.680 1.00 1.32 H new ATOM 0 HG22 VAL A 120 4.254 -4.320 -7.136 1.00 1.32 H new ATOM 0 HG23 VAL A 120 3.937 -2.767 -7.945 1.00 1.32 H new ATOM 1884 N PHE A 121 2.832 -7.050 -10.279 1.00 0.94 N ATOM 1885 CA PHE A 121 2.253 -8.159 -11.021 1.00 1.17 C ATOM 1886 C PHE A 121 1.562 -9.139 -10.071 1.00 2.13 C ATOM 1887 O PHE A 121 1.926 -9.279 -8.905 1.00 2.25 O ATOM 1888 CB PHE A 121 3.358 -8.826 -11.858 1.00 1.35 C ATOM 1889 CG PHE A 121 4.630 -9.149 -11.088 1.00 1.43 C ATOM 1890 CD1 PHE A 121 4.738 -10.358 -10.374 1.00 3.00 C ATOM 1891 CD2 PHE A 121 5.693 -8.221 -11.059 1.00 1.57 C ATOM 1892 CE1 PHE A 121 5.904 -10.644 -9.643 1.00 2.95 C ATOM 1893 CE2 PHE A 121 6.862 -8.514 -10.333 1.00 1.55 C ATOM 1894 CZ PHE A 121 6.969 -9.729 -9.629 1.00 1.78 C ATOM 0 H PHE A 121 3.240 -7.343 -9.391 1.00 0.94 H new ATOM 0 HA PHE A 121 1.482 -7.798 -11.702 1.00 1.17 H new ATOM 0 HB2 PHE A 121 2.964 -9.748 -12.286 1.00 1.35 H new ATOM 0 HB3 PHE A 121 3.610 -8.170 -12.691 1.00 1.35 H new ATOM 0 HD1 PHE A 121 3.923 -11.067 -10.388 1.00 3.00 H new ATOM 0 HD2 PHE A 121 5.609 -7.286 -11.594 1.00 1.57 H new ATOM 0 HE1 PHE A 121 5.981 -11.569 -9.091 1.00 2.95 H new ATOM 0 HE2 PHE A 121 7.678 -7.807 -10.316 1.00 1.55 H new ATOM 0 HZ PHE A 121 7.870 -9.957 -9.079 1.00 1.78 H new ATOM 1904 N TYR A 122 0.533 -9.804 -10.591 1.00 1.40 N ATOM 1905 CA TYR A 122 -0.186 -10.896 -9.935 1.00 1.54 C ATOM 1906 C TYR A 122 -0.578 -11.930 -11.006 1.00 1.74 C ATOM 1907 O TYR A 122 -1.215 -11.566 -11.997 1.00 2.07 O ATOM 1908 CB TYR A 122 -1.394 -10.334 -9.151 1.00 1.58 C ATOM 1909 CG TYR A 122 -2.538 -9.824 -10.018 1.00 1.61 C ATOM 1910 CD1 TYR A 122 -2.373 -8.671 -10.815 1.00 2.03 C ATOM 1911 CD2 TYR A 122 -3.730 -10.571 -10.112 1.00 2.47 C ATOM 1912 CE1 TYR A 122 -3.351 -8.322 -11.762 1.00 2.04 C ATOM 1913 CE2 TYR A 122 -4.726 -10.210 -11.038 1.00 2.51 C ATOM 1914 CZ TYR A 122 -4.521 -9.102 -11.888 1.00 1.79 C ATOM 1915 OH TYR A 122 -5.431 -8.809 -12.851 1.00 2.14 O ATOM 0 H TYR A 122 0.162 -9.589 -11.517 1.00 1.40 H new ATOM 0 HA TYR A 122 0.442 -11.401 -9.201 1.00 1.54 H new ATOM 0 HB2 TYR A 122 -1.776 -11.114 -8.492 1.00 1.58 H new ATOM 0 HB3 TYR A 122 -1.049 -9.520 -8.514 1.00 1.58 H new ATOM 0 HD1 TYR A 122 -1.493 -8.056 -10.697 1.00 2.03 H new ATOM 0 HD2 TYR A 122 -3.880 -11.426 -9.469 1.00 2.47 H new ATOM 0 HE1 TYR A 122 -3.208 -7.457 -12.393 1.00 2.04 H new ATOM 0 HE2 TYR A 122 -5.643 -10.778 -11.098 1.00 2.51 H new ATOM 0 HH TYR A 122 -6.008 -8.078 -12.545 1.00 2.14 H new ATOM 1925 N GLN A 123 -0.164 -13.199 -10.890 1.00 1.35 N ATOM 1926 CA GLN A 123 -0.482 -14.219 -11.904 1.00 1.47 C ATOM 1927 C GLN A 123 -0.726 -15.598 -11.277 1.00 1.33 C ATOM 1928 O GLN A 123 -0.081 -15.978 -10.304 1.00 1.42 O ATOM 1929 CB GLN A 123 0.606 -14.291 -13.004 1.00 1.98 C ATOM 1930 CG GLN A 123 0.683 -13.022 -13.885 1.00 3.18 C ATOM 1931 CD GLN A 123 1.492 -13.174 -15.181 1.00 3.74 C ATOM 1932 OE1 GLN A 123 2.173 -14.157 -15.420 1.00 3.28 O ATOM 1933 NE2 GLN A 123 1.440 -12.225 -16.096 1.00 5.48 N ATOM 0 H GLN A 123 0.391 -13.545 -10.107 1.00 1.35 H new ATOM 0 HA GLN A 123 -1.413 -13.909 -12.378 1.00 1.47 H new ATOM 0 HB2 GLN A 123 1.575 -14.456 -12.534 1.00 1.98 H new ATOM 0 HB3 GLN A 123 0.410 -15.154 -13.641 1.00 1.98 H new ATOM 0 HG2 GLN A 123 -0.331 -12.716 -14.142 1.00 3.18 H new ATOM 0 HG3 GLN A 123 1.120 -12.216 -13.295 1.00 3.18 H new ATOM 0 HE21 GLN A 123 0.881 -11.388 -15.931 1.00 5.48 H new ATOM 0 HE22 GLN A 123 1.959 -12.328 -16.968 1.00 5.48 H new ATOM 1942 N LYS A 124 -1.617 -16.396 -11.882 1.00 1.23 N ATOM 1943 CA LYS A 124 -1.857 -17.787 -11.468 1.00 1.19 C ATOM 1944 C LYS A 124 -1.090 -18.793 -12.350 1.00 1.44 C ATOM 1945 O LYS A 124 -1.022 -18.668 -13.572 1.00 1.90 O ATOM 1946 CB LYS A 124 -3.361 -18.075 -11.348 1.00 1.42 C ATOM 1947 CG LYS A 124 -4.202 -17.854 -12.615 1.00 2.14 C ATOM 1948 CD LYS A 124 -5.664 -18.293 -12.413 1.00 2.66 C ATOM 1949 CE LYS A 124 -6.452 -17.379 -11.458 1.00 2.55 C ATOM 1950 NZ LYS A 124 -7.800 -17.924 -11.165 1.00 3.38 N ATOM 0 H LYS A 124 -2.191 -16.097 -12.670 1.00 1.23 H new ATOM 0 HA LYS A 124 -1.446 -17.923 -10.468 1.00 1.19 H new ATOM 0 HB2 LYS A 124 -3.486 -19.110 -11.031 1.00 1.42 H new ATOM 0 HB3 LYS A 124 -3.767 -17.447 -10.555 1.00 1.42 H new ATOM 0 HG2 LYS A 124 -4.174 -16.800 -12.891 1.00 2.14 H new ATOM 0 HG3 LYS A 124 -3.766 -18.412 -13.443 1.00 2.14 H new ATOM 0 HD2 LYS A 124 -6.166 -18.314 -13.380 1.00 2.66 H new ATOM 0 HD3 LYS A 124 -5.679 -19.311 -12.024 1.00 2.66 H new ATOM 0 HE2 LYS A 124 -5.897 -17.260 -10.527 1.00 2.55 H new ATOM 0 HE3 LYS A 124 -6.549 -16.387 -11.900 1.00 2.55 H new ATOM 0 HZ1 LYS A 124 -8.295 -17.290 -10.505 1.00 3.38 H new ATOM 0 HZ2 LYS A 124 -8.344 -17.998 -12.048 1.00 3.38 H new ATOM 0 HZ3 LYS A 124 -7.708 -18.867 -10.736 1.00 3.38 H new ATOM 2120 N VAL A 135 -0.904 -19.274 -7.024 1.00 1.73 N ATOM 2121 CA VAL A 135 -1.034 -17.853 -7.377 1.00 1.44 C ATOM 2122 C VAL A 135 0.067 -17.042 -6.696 1.00 1.50 C ATOM 2123 O VAL A 135 0.413 -17.307 -5.546 1.00 1.58 O ATOM 2124 CB VAL A 135 -2.454 -17.312 -7.069 1.00 1.83 C ATOM 2125 CG1 VAL A 135 -2.872 -17.493 -5.598 1.00 2.63 C ATOM 2126 CG2 VAL A 135 -2.635 -15.850 -7.509 1.00 1.88 C ATOM 0 HA VAL A 135 -0.904 -17.747 -8.454 1.00 1.44 H new ATOM 0 HB VAL A 135 -3.124 -17.929 -7.668 1.00 1.83 H new ATOM 0 HG11 VAL A 135 -3.875 -17.093 -5.453 1.00 2.63 H new ATOM 0 HG12 VAL A 135 -2.864 -18.553 -5.345 1.00 2.63 H new ATOM 0 HG13 VAL A 135 -2.173 -16.961 -4.953 1.00 2.63 H new ATOM 0 HG21 VAL A 135 -3.646 -15.521 -7.270 1.00 1.88 H new ATOM 0 HG22 VAL A 135 -1.915 -15.221 -6.985 1.00 1.88 H new ATOM 0 HG23 VAL A 135 -2.472 -15.771 -8.584 1.00 1.88 H new ATOM 2136 N ASP A 136 0.627 -16.100 -7.451 1.00 1.00 N ATOM 2137 CA ASP A 136 1.721 -15.201 -7.072 1.00 1.08 C ATOM 2138 C ASP A 136 1.273 -13.726 -7.104 1.00 1.44 C ATOM 2139 O ASP A 136 0.470 -13.327 -7.951 1.00 1.80 O ATOM 2140 CB ASP A 136 2.882 -15.419 -8.056 1.00 1.30 C ATOM 2141 CG ASP A 136 3.992 -14.381 -7.873 1.00 2.86 C ATOM 2142 OD1 ASP A 136 4.448 -14.228 -6.716 1.00 4.09 O ATOM 2143 OD2 ASP A 136 4.327 -13.709 -8.877 1.00 3.89 O ATOM 0 H ASP A 136 0.310 -15.931 -8.406 1.00 1.00 H new ATOM 0 HA ASP A 136 2.034 -15.425 -6.052 1.00 1.08 H new ATOM 0 HB2 ASP A 136 3.294 -16.418 -7.915 1.00 1.30 H new ATOM 0 HB3 ASP A 136 2.505 -15.370 -9.078 1.00 1.30 H new ATOM 2148 N HIS A 137 1.833 -12.901 -6.217 1.00 1.08 N ATOM 2149 CA HIS A 137 1.821 -11.445 -6.356 1.00 0.98 C ATOM 2150 C HIS A 137 3.109 -10.793 -5.819 1.00 1.17 C ATOM 2151 O HIS A 137 3.736 -11.298 -4.882 1.00 1.29 O ATOM 2152 CB HIS A 137 0.576 -10.848 -5.681 1.00 1.17 C ATOM 2153 CG HIS A 137 0.691 -10.726 -4.179 1.00 1.47 C ATOM 2154 ND1 HIS A 137 1.146 -9.633 -3.479 1.00 2.52 N ATOM 2155 CD2 HIS A 137 0.367 -11.683 -3.257 1.00 1.77 C ATOM 2156 CE1 HIS A 137 1.095 -9.930 -2.172 1.00 2.88 C ATOM 2157 NE2 HIS A 137 0.615 -11.168 -1.980 1.00 2.33 N ATOM 0 H HIS A 137 2.310 -13.227 -5.377 1.00 1.08 H new ATOM 0 HA HIS A 137 1.780 -11.223 -7.422 1.00 0.98 H new ATOM 0 HB2 HIS A 137 0.385 -9.861 -6.102 1.00 1.17 H new ATOM 0 HB3 HIS A 137 -0.287 -11.469 -5.920 1.00 1.17 H new ATOM 0 HD1 HIS A 137 1.466 -8.752 -3.882 1.00 2.52 H new ATOM 0 HD2 HIS A 137 -0.015 -12.669 -3.477 1.00 1.77 H new ATOM 0 HE1 HIS A 137 1.400 -9.262 -1.380 1.00 2.88 H new ATOM 2166 N THR A 138 3.455 -9.601 -6.327 1.00 0.86 N ATOM 2167 CA THR A 138 4.529 -8.784 -5.738 1.00 0.89 C ATOM 2168 C THR A 138 4.049 -8.200 -4.409 1.00 1.36 C ATOM 2169 O THR A 138 3.128 -7.388 -4.374 1.00 2.24 O ATOM 2170 CB THR A 138 5.008 -7.664 -6.679 1.00 0.86 C ATOM 2171 OG1 THR A 138 4.652 -7.899 -8.017 1.00 1.79 O ATOM 2172 CG2 THR A 138 6.529 -7.544 -6.631 1.00 1.22 C ATOM 0 H THR A 138 3.009 -9.181 -7.142 1.00 0.86 H new ATOM 0 HA THR A 138 5.388 -9.434 -5.571 1.00 0.89 H new ATOM 0 HB THR A 138 4.525 -6.751 -6.332 1.00 0.86 H new ATOM 0 HG1 THR A 138 5.435 -8.217 -8.513 1.00 1.79 H new ATOM 0 HG21 THR A 138 6.853 -6.748 -7.302 1.00 1.22 H new ATOM 0 HG22 THR A 138 6.844 -7.312 -5.614 1.00 1.22 H new ATOM 0 HG23 THR A 138 6.978 -8.487 -6.943 1.00 1.22 H new ATOM 2180 N ALA A 139 4.671 -8.580 -3.293 1.00 0.69 N ATOM 2181 CA ALA A 139 4.315 -8.131 -1.933 1.00 0.78 C ATOM 2182 C ALA A 139 4.847 -6.718 -1.570 1.00 0.95 C ATOM 2183 O ALA A 139 5.360 -6.510 -0.470 1.00 1.51 O ATOM 2184 CB ALA A 139 4.770 -9.224 -0.950 1.00 0.92 C ATOM 0 H ALA A 139 5.460 -9.227 -3.303 1.00 0.69 H new ATOM 0 HA ALA A 139 3.234 -8.002 -1.873 1.00 0.78 H new ATOM 0 HB1 ALA A 139 4.522 -8.924 0.068 1.00 0.92 H new ATOM 0 HB2 ALA A 139 4.263 -10.160 -1.186 1.00 0.92 H new ATOM 0 HB3 ALA A 139 5.848 -9.364 -1.034 1.00 0.92 H new ATOM 2190 N THR A 140 4.805 -5.759 -2.503 1.00 0.65 N ATOM 2191 CA THR A 140 5.574 -4.500 -2.408 1.00 0.62 C ATOM 2192 C THR A 140 4.723 -3.338 -1.886 1.00 0.79 C ATOM 2193 O THR A 140 3.499 -3.318 -2.037 1.00 1.09 O ATOM 2194 CB THR A 140 6.242 -4.178 -3.752 1.00 0.65 C ATOM 2195 OG1 THR A 140 6.988 -5.308 -4.140 1.00 1.07 O ATOM 2196 CG2 THR A 140 7.252 -3.029 -3.713 1.00 0.69 C ATOM 0 H THR A 140 4.238 -5.829 -3.348 1.00 0.65 H new ATOM 0 HA THR A 140 6.363 -4.644 -1.670 1.00 0.62 H new ATOM 0 HB THR A 140 5.431 -3.897 -4.424 1.00 0.65 H new ATOM 0 HG1 THR A 140 7.426 -5.132 -4.999 1.00 1.07 H new ATOM 0 HG21 THR A 140 7.669 -2.878 -4.708 1.00 0.69 H new ATOM 0 HG22 THR A 140 6.753 -2.117 -3.386 1.00 0.69 H new ATOM 0 HG23 THR A 140 8.054 -3.273 -3.017 1.00 0.69 H new ATOM 2204 N THR A 141 5.407 -2.375 -1.254 1.00 0.53 N ATOM 2205 CA THR A 141 4.893 -1.138 -0.658 1.00 0.50 C ATOM 2206 C THR A 141 5.373 0.064 -1.479 1.00 0.82 C ATOM 2207 O THR A 141 6.459 0.051 -2.061 1.00 0.98 O ATOM 2208 CB THR A 141 5.363 -1.029 0.804 1.00 0.57 C ATOM 2209 OG1 THR A 141 5.104 -2.247 1.458 1.00 1.08 O ATOM 2210 CG2 THR A 141 4.694 0.069 1.630 1.00 1.02 C ATOM 0 H THR A 141 6.418 -2.449 -1.138 1.00 0.53 H new ATOM 0 HA THR A 141 3.803 -1.151 -0.666 1.00 0.50 H new ATOM 0 HB THR A 141 6.422 -0.780 0.740 1.00 0.57 H new ATOM 0 HG1 THR A 141 5.402 -2.188 2.390 1.00 1.08 H new ATOM 0 HG21 THR A 141 5.097 0.059 2.643 1.00 1.02 H new ATOM 0 HG22 THR A 141 4.889 1.039 1.172 1.00 1.02 H new ATOM 0 HG23 THR A 141 3.619 -0.106 1.665 1.00 1.02 H new ATOM 2218 N PHE A 142 4.562 1.119 -1.546 1.00 0.60 N ATOM 2219 CA PHE A 142 4.783 2.269 -2.430 1.00 0.60 C ATOM 2220 C PHE A 142 4.428 3.582 -1.732 1.00 1.82 C ATOM 2221 O PHE A 142 3.432 3.650 -1.013 1.00 2.20 O ATOM 2222 CB PHE A 142 3.951 2.091 -3.710 1.00 0.62 C ATOM 2223 CG PHE A 142 4.323 0.856 -4.500 1.00 0.72 C ATOM 2224 CD1 PHE A 142 3.688 -0.369 -4.223 1.00 1.86 C ATOM 2225 CD2 PHE A 142 5.356 0.911 -5.454 1.00 1.82 C ATOM 2226 CE1 PHE A 142 4.110 -1.540 -4.868 1.00 1.85 C ATOM 2227 CE2 PHE A 142 5.768 -0.261 -6.107 1.00 1.64 C ATOM 2228 CZ PHE A 142 5.159 -1.486 -5.803 1.00 0.84 C ATOM 0 H PHE A 142 3.718 1.203 -0.979 1.00 0.60 H new ATOM 0 HA PHE A 142 5.841 2.316 -2.689 1.00 0.60 H new ATOM 0 HB2 PHE A 142 2.895 2.039 -3.444 1.00 0.62 H new ATOM 0 HB3 PHE A 142 4.078 2.970 -4.342 1.00 0.62 H new ATOM 0 HD1 PHE A 142 2.875 -0.407 -3.513 1.00 1.86 H new ATOM 0 HD2 PHE A 142 5.831 1.853 -5.683 1.00 1.82 H new ATOM 0 HE1 PHE A 142 3.630 -2.482 -4.647 1.00 1.85 H new ATOM 0 HE2 PHE A 142 6.556 -0.219 -6.845 1.00 1.64 H new ATOM 0 HZ PHE A 142 5.496 -2.390 -6.288 1.00 0.84 H new ATOM 2238 N VAL A 143 5.230 4.631 -1.957 1.00 0.51 N ATOM 2239 CA VAL A 143 5.030 5.960 -1.347 1.00 0.50 C ATOM 2240 C VAL A 143 4.692 6.985 -2.427 1.00 0.79 C ATOM 2241 O VAL A 143 5.489 7.251 -3.332 1.00 1.02 O ATOM 2242 CB VAL A 143 6.247 6.416 -0.508 1.00 0.56 C ATOM 2243 CG1 VAL A 143 6.005 7.796 0.127 1.00 0.74 C ATOM 2244 CG2 VAL A 143 6.531 5.406 0.614 1.00 0.88 C ATOM 0 H VAL A 143 6.043 4.585 -2.571 1.00 0.51 H new ATOM 0 HA VAL A 143 4.191 5.881 -0.655 1.00 0.50 H new ATOM 0 HB VAL A 143 7.100 6.478 -1.183 1.00 0.56 H new ATOM 0 HG11 VAL A 143 6.879 8.087 0.710 1.00 0.74 H new ATOM 0 HG12 VAL A 143 5.831 8.532 -0.658 1.00 0.74 H new ATOM 0 HG13 VAL A 143 5.133 7.748 0.780 1.00 0.74 H new ATOM 0 HG21 VAL A 143 7.390 5.740 1.196 1.00 0.88 H new ATOM 0 HG22 VAL A 143 5.660 5.330 1.264 1.00 0.88 H new ATOM 0 HG23 VAL A 143 6.745 4.430 0.179 1.00 0.88 H new ATOM 2254 N VAL A 144 3.487 7.543 -2.305 1.00 0.51 N ATOM 2255 CA VAL A 144 2.854 8.441 -3.288 1.00 0.67 C ATOM 2256 C VAL A 144 2.361 9.738 -2.626 1.00 1.07 C ATOM 2257 O VAL A 144 1.690 9.702 -1.593 1.00 1.06 O ATOM 2258 CB VAL A 144 1.685 7.738 -4.027 1.00 0.80 C ATOM 2259 CG1 VAL A 144 0.920 8.686 -4.972 1.00 1.43 C ATOM 2260 CG2 VAL A 144 2.194 6.554 -4.867 1.00 1.78 C ATOM 0 H VAL A 144 2.897 7.379 -1.489 1.00 0.51 H new ATOM 0 HA VAL A 144 3.617 8.700 -4.023 1.00 0.67 H new ATOM 0 HB VAL A 144 1.010 7.395 -3.243 1.00 0.80 H new ATOM 0 HG11 VAL A 144 0.114 8.139 -5.461 1.00 1.43 H new ATOM 0 HG12 VAL A 144 0.502 9.513 -4.398 1.00 1.43 H new ATOM 0 HG13 VAL A 144 1.603 9.077 -5.726 1.00 1.43 H new ATOM 0 HG21 VAL A 144 1.354 6.080 -5.374 1.00 1.78 H new ATOM 0 HG22 VAL A 144 2.908 6.914 -5.607 1.00 1.78 H new ATOM 0 HG23 VAL A 144 2.681 5.828 -4.216 1.00 1.78 H new ATOM 2270 N LYS A 145 2.698 10.867 -3.259 1.00 1.03 N ATOM 2271 CA LYS A 145 2.231 12.230 -2.946 1.00 1.18 C ATOM 2272 C LYS A 145 2.065 13.050 -4.249 1.00 1.34 C ATOM 2273 O LYS A 145 2.770 12.766 -5.219 1.00 1.53 O ATOM 2274 CB LYS A 145 3.274 12.861 -2.011 1.00 1.26 C ATOM 2275 CG LYS A 145 2.749 14.090 -1.265 1.00 1.57 C ATOM 2276 CD LYS A 145 3.915 14.848 -0.639 1.00 1.37 C ATOM 2277 CE LYS A 145 3.435 16.116 0.069 1.00 1.77 C ATOM 2278 NZ LYS A 145 4.591 16.988 0.374 1.00 1.76 N ATOM 0 H LYS A 145 3.341 10.858 -4.050 1.00 1.03 H new ATOM 0 HA LYS A 145 1.257 12.213 -2.458 1.00 1.18 H new ATOM 0 HB2 LYS A 145 3.601 12.116 -1.286 1.00 1.26 H new ATOM 0 HB3 LYS A 145 4.151 13.144 -2.594 1.00 1.26 H new ATOM 0 HG2 LYS A 145 2.207 14.740 -1.952 1.00 1.57 H new ATOM 0 HG3 LYS A 145 2.044 13.784 -0.492 1.00 1.57 H new ATOM 0 HD2 LYS A 145 4.430 14.204 0.073 1.00 1.37 H new ATOM 0 HD3 LYS A 145 4.638 15.111 -1.411 1.00 1.37 H new ATOM 0 HE2 LYS A 145 2.723 16.648 -0.562 1.00 1.77 H new ATOM 0 HE3 LYS A 145 2.913 15.854 0.989 1.00 1.77 H new ATOM 0 HZ1 LYS A 145 4.445 17.449 1.295 1.00 1.76 H new ATOM 0 HZ2 LYS A 145 5.459 16.415 0.407 1.00 1.76 H new ATOM 0 HZ3 LYS A 145 4.683 17.713 -0.365 1.00 1.76 H new ATOM 2292 N GLU A 146 1.167 14.045 -4.322 1.00 1.23 N ATOM 2293 CA GLU A 146 1.065 15.031 -5.432 1.00 1.25 C ATOM 2294 C GLU A 146 0.773 14.395 -6.816 1.00 1.60 C ATOM 2295 O GLU A 146 1.039 14.994 -7.857 1.00 1.87 O ATOM 2296 CB GLU A 146 2.321 15.928 -5.478 1.00 1.17 C ATOM 2297 CG GLU A 146 2.499 16.877 -4.281 1.00 1.47 C ATOM 2298 CD GLU A 146 3.969 17.270 -4.159 1.00 1.86 C ATOM 2299 OE1 GLU A 146 4.390 18.270 -4.783 1.00 2.21 O ATOM 2300 OE2 GLU A 146 4.729 16.471 -3.567 1.00 3.07 O ATOM 0 H GLU A 146 0.468 14.198 -3.595 1.00 1.23 H new ATOM 0 HA GLU A 146 0.194 15.648 -5.211 1.00 1.25 H new ATOM 0 HB2 GLU A 146 3.201 15.288 -5.547 1.00 1.17 H new ATOM 0 HB3 GLU A 146 2.288 16.524 -6.390 1.00 1.17 H new ATOM 0 HG2 GLU A 146 1.883 17.767 -4.414 1.00 1.47 H new ATOM 0 HG3 GLU A 146 2.164 16.391 -3.365 1.00 1.47 H new ATOM 2307 N GLY A 147 0.249 13.162 -6.852 1.00 1.33 N ATOM 2308 CA GLY A 147 0.001 12.412 -8.094 1.00 1.39 C ATOM 2309 C GLY A 147 1.242 11.732 -8.682 1.00 1.27 C ATOM 2310 O GLY A 147 1.237 11.391 -9.864 1.00 1.39 O ATOM 0 H GLY A 147 -0.018 12.651 -6.011 1.00 1.33 H new ATOM 0 HA2 GLY A 147 -0.757 11.653 -7.900 1.00 1.39 H new ATOM 0 HA3 GLY A 147 -0.412 13.092 -8.838 1.00 1.39 H new ATOM 2314 N ARG A 148 2.311 11.537 -7.893 1.00 1.01 N ATOM 2315 CA ARG A 148 3.542 10.855 -8.312 1.00 0.86 C ATOM 2316 C ARG A 148 4.098 9.883 -7.272 1.00 1.20 C ATOM 2317 O ARG A 148 4.049 10.109 -6.065 1.00 1.41 O ATOM 2318 CB ARG A 148 4.633 11.852 -8.744 1.00 0.87 C ATOM 2319 CG ARG A 148 4.755 13.112 -7.894 1.00 1.16 C ATOM 2320 CD ARG A 148 6.031 13.854 -8.301 1.00 1.30 C ATOM 2321 NE ARG A 148 5.905 15.308 -8.122 1.00 1.64 N ATOM 2322 CZ ARG A 148 5.773 15.949 -6.973 1.00 2.37 C ATOM 2323 NH1 ARG A 148 5.795 15.336 -5.811 1.00 3.62 N ATOM 2324 NH2 ARG A 148 5.605 17.252 -6.980 1.00 2.72 N ATOM 0 H ARG A 148 2.342 11.857 -6.925 1.00 1.01 H new ATOM 0 HA ARG A 148 3.248 10.256 -9.174 1.00 0.86 H new ATOM 0 HB2 ARG A 148 5.593 11.337 -8.736 1.00 0.87 H new ATOM 0 HB3 ARG A 148 4.440 12.149 -9.775 1.00 0.87 H new ATOM 0 HG2 ARG A 148 3.884 13.751 -8.038 1.00 1.16 H new ATOM 0 HG3 ARG A 148 4.789 12.853 -6.836 1.00 1.16 H new ATOM 0 HD2 ARG A 148 6.868 13.487 -7.707 1.00 1.30 H new ATOM 0 HD3 ARG A 148 6.260 13.636 -9.344 1.00 1.30 H new ATOM 0 HE ARG A 148 5.921 15.878 -8.967 1.00 1.64 H new ATOM 0 HH11 ARG A 148 5.918 14.324 -5.770 1.00 3.62 H new ATOM 0 HH12 ARG A 148 5.689 15.872 -4.950 1.00 3.62 H new ATOM 0 HH21 ARG A 148 5.578 17.758 -7.865 1.00 2.72 H new ATOM 0 HH22 ARG A 148 5.502 17.758 -6.100 1.00 2.72 H new ATOM 2338 N LEU A 149 4.705 8.804 -7.769 1.00 0.77 N ATOM 2339 CA LEU A 149 5.474 7.857 -6.978 1.00 0.67 C ATOM 2340 C LEU A 149 6.835 8.495 -6.676 1.00 0.98 C ATOM 2341 O LEU A 149 7.511 8.976 -7.588 1.00 1.31 O ATOM 2342 CB LEU A 149 5.575 6.539 -7.772 1.00 0.75 C ATOM 2343 CG LEU A 149 6.219 5.351 -7.033 1.00 0.80 C ATOM 2344 CD1 LEU A 149 5.381 4.882 -5.840 1.00 1.72 C ATOM 2345 CD2 LEU A 149 6.369 4.168 -7.999 1.00 2.11 C ATOM 0 H LEU A 149 4.671 8.563 -8.760 1.00 0.77 H new ATOM 0 HA LEU A 149 5.004 7.621 -6.023 1.00 0.67 H new ATOM 0 HB2 LEU A 149 4.572 6.247 -8.082 1.00 0.75 H new ATOM 0 HB3 LEU A 149 6.147 6.729 -8.681 1.00 0.75 H new ATOM 0 HG LEU A 149 7.187 5.692 -6.665 1.00 0.80 H new ATOM 0 HD11 LEU A 149 5.878 4.043 -5.353 1.00 1.72 H new ATOM 0 HD12 LEU A 149 5.271 5.701 -5.129 1.00 1.72 H new ATOM 0 HD13 LEU A 149 4.397 4.568 -6.188 1.00 1.72 H new ATOM 0 HD21 LEU A 149 6.825 3.327 -7.476 1.00 2.11 H new ATOM 0 HD22 LEU A 149 5.387 3.875 -8.371 1.00 2.11 H new ATOM 0 HD23 LEU A 149 7.002 4.460 -8.837 1.00 2.11 H new ATOM 2357 N VAL A 150 7.211 8.537 -5.396 1.00 0.67 N ATOM 2358 CA VAL A 150 8.474 9.150 -4.930 1.00 0.78 C ATOM 2359 C VAL A 150 9.444 8.139 -4.293 1.00 1.09 C ATOM 2360 O VAL A 150 10.629 8.448 -4.158 1.00 1.23 O ATOM 2361 CB VAL A 150 8.221 10.344 -3.973 1.00 0.84 C ATOM 2362 CG1 VAL A 150 7.538 11.502 -4.720 1.00 1.66 C ATOM 2363 CG2 VAL A 150 7.379 9.978 -2.740 1.00 1.19 C ATOM 0 H VAL A 150 6.648 8.145 -4.641 1.00 0.67 H new ATOM 0 HA VAL A 150 8.960 9.529 -5.829 1.00 0.78 H new ATOM 0 HB VAL A 150 9.205 10.647 -3.616 1.00 0.84 H new ATOM 0 HG11 VAL A 150 7.369 12.330 -4.031 1.00 1.66 H new ATOM 0 HG12 VAL A 150 8.177 11.835 -5.538 1.00 1.66 H new ATOM 0 HG13 VAL A 150 6.583 11.163 -5.121 1.00 1.66 H new ATOM 0 HG21 VAL A 150 7.243 10.862 -2.117 1.00 1.19 H new ATOM 0 HG22 VAL A 150 6.406 9.607 -3.061 1.00 1.19 H new ATOM 0 HG23 VAL A 150 7.890 9.205 -2.167 1.00 1.19 H new ATOM 2373 N LEU A 151 8.968 6.927 -3.956 1.00 0.76 N ATOM 2374 CA LEU A 151 9.744 5.895 -3.268 1.00 0.82 C ATOM 2375 C LEU A 151 9.049 4.527 -3.287 1.00 1.25 C ATOM 2376 O LEU A 151 7.822 4.424 -3.173 1.00 1.32 O ATOM 2377 CB LEU A 151 10.054 6.358 -1.822 1.00 0.86 C ATOM 2378 CG LEU A 151 11.554 6.639 -1.598 1.00 1.18 C ATOM 2379 CD1 LEU A 151 11.741 7.835 -0.669 1.00 1.32 C ATOM 2380 CD2 LEU A 151 12.277 5.403 -1.048 1.00 1.18 C ATOM 0 H LEU A 151 8.012 6.637 -4.161 1.00 0.76 H new ATOM 0 HA LEU A 151 10.682 5.760 -3.807 1.00 0.82 H new ATOM 0 HB2 LEU A 151 9.482 7.260 -1.603 1.00 0.86 H new ATOM 0 HB3 LEU A 151 9.723 5.592 -1.120 1.00 0.86 H new ATOM 0 HG LEU A 151 11.999 6.879 -2.564 1.00 1.18 H new ATOM 0 HD11 LEU A 151 12.805 8.019 -0.522 1.00 1.32 H new ATOM 0 HD12 LEU A 151 11.278 8.716 -1.113 1.00 1.32 H new ATOM 0 HD13 LEU A 151 11.273 7.625 0.293 1.00 1.32 H new ATOM 0 HD21 LEU A 151 13.332 5.634 -0.901 1.00 1.18 H new ATOM 0 HD22 LEU A 151 11.832 5.115 -0.095 1.00 1.18 H new ATOM 0 HD23 LEU A 151 12.181 4.580 -1.756 1.00 1.18 H new ATOM 2392 N LEU A 152 9.874 3.486 -3.402 1.00 0.86 N ATOM 2393 CA LEU A 152 9.496 2.079 -3.257 1.00 0.76 C ATOM 2394 C LEU A 152 9.898 1.595 -1.863 1.00 1.12 C ATOM 2395 O LEU A 152 10.871 2.088 -1.304 1.00 1.24 O ATOM 2396 CB LEU A 152 10.242 1.221 -4.297 1.00 0.74 C ATOM 2397 CG LEU A 152 10.257 1.744 -5.747 1.00 0.87 C ATOM 2398 CD1 LEU A 152 11.046 0.775 -6.637 1.00 1.21 C ATOM 2399 CD2 LEU A 152 8.838 1.901 -6.293 1.00 0.97 C ATOM 0 H LEU A 152 10.866 3.605 -3.607 1.00 0.86 H new ATOM 0 HA LEU A 152 8.420 1.985 -3.404 1.00 0.76 H new ATOM 0 HB2 LEU A 152 11.274 1.107 -3.966 1.00 0.74 H new ATOM 0 HB3 LEU A 152 9.797 0.226 -4.299 1.00 0.74 H new ATOM 0 HG LEU A 152 10.735 2.724 -5.751 1.00 0.87 H new ATOM 0 HD11 LEU A 152 11.055 1.147 -7.661 1.00 1.21 H new ATOM 0 HD12 LEU A 152 12.070 0.696 -6.271 1.00 1.21 H new ATOM 0 HD13 LEU A 152 10.575 -0.208 -6.612 1.00 1.21 H new ATOM 0 HD21 LEU A 152 8.881 2.271 -7.317 1.00 0.97 H new ATOM 0 HD22 LEU A 152 8.333 0.935 -6.277 1.00 0.97 H new ATOM 0 HD23 LEU A 152 8.286 2.609 -5.674 1.00 0.97 H new ATOM 2411 N TYR A 153 9.230 0.569 -1.342 1.00 0.65 N ATOM 2412 CA TYR A 153 9.591 -0.127 -0.105 1.00 0.59 C ATOM 2413 C TYR A 153 9.222 -1.618 -0.236 1.00 1.09 C ATOM 2414 O TYR A 153 8.103 -1.973 -0.584 1.00 1.50 O ATOM 2415 CB TYR A 153 8.873 0.543 1.089 1.00 0.64 C ATOM 2416 CG TYR A 153 9.679 1.601 1.832 1.00 0.87 C ATOM 2417 CD1 TYR A 153 9.677 2.955 1.444 1.00 2.26 C ATOM 2418 CD2 TYR A 153 10.437 1.216 2.951 1.00 1.91 C ATOM 2419 CE1 TYR A 153 10.466 3.896 2.139 1.00 2.36 C ATOM 2420 CE2 TYR A 153 11.227 2.143 3.655 1.00 2.18 C ATOM 2421 CZ TYR A 153 11.267 3.490 3.232 1.00 1.59 C ATOM 2422 OH TYR A 153 12.104 4.367 3.859 1.00 2.13 O ATOM 0 H TYR A 153 8.394 0.185 -1.782 1.00 0.65 H new ATOM 0 HA TYR A 153 10.664 -0.061 0.073 1.00 0.59 H new ATOM 0 HB2 TYR A 153 7.953 1.001 0.726 1.00 0.64 H new ATOM 0 HB3 TYR A 153 8.584 -0.233 1.798 1.00 0.64 H new ATOM 0 HD1 TYR A 153 9.069 3.274 0.611 1.00 2.26 H new ATOM 0 HD2 TYR A 153 10.413 0.187 3.277 1.00 1.91 H new ATOM 0 HE1 TYR A 153 10.458 4.932 1.835 1.00 2.36 H new ATOM 0 HE2 TYR A 153 11.800 1.826 4.514 1.00 2.18 H new ATOM 0 HH TYR A 153 11.975 5.265 3.487 1.00 2.13 H new ATOM 2432 N SER A 154 10.141 -2.543 0.032 1.00 0.80 N ATOM 2433 CA SER A 154 9.776 -3.943 0.327 1.00 0.75 C ATOM 2434 C SER A 154 9.121 -4.021 1.723 1.00 1.06 C ATOM 2435 O SER A 154 9.311 -3.080 2.498 1.00 1.28 O ATOM 2436 CB SER A 154 11.035 -4.824 0.278 1.00 0.93 C ATOM 2437 OG SER A 154 11.907 -4.454 -0.779 1.00 1.45 O ATOM 0 H SER A 154 11.144 -2.358 0.053 1.00 0.80 H new ATOM 0 HA SER A 154 9.065 -4.302 -0.417 1.00 0.75 H new ATOM 0 HB2 SER A 154 11.566 -4.750 1.227 1.00 0.93 H new ATOM 0 HB3 SER A 154 10.742 -5.867 0.157 1.00 0.93 H new ATOM 0 HG SER A 154 12.694 -5.037 -0.773 1.00 1.45 H new ATOM 2443 N PRO A 155 8.402 -5.099 2.094 1.00 0.83 N ATOM 2444 CA PRO A 155 7.789 -5.183 3.418 1.00 1.16 C ATOM 2445 C PRO A 155 8.867 -5.208 4.504 1.00 1.40 C ATOM 2446 O PRO A 155 8.781 -4.447 5.461 1.00 1.45 O ATOM 2447 CB PRO A 155 6.915 -6.439 3.401 1.00 1.32 C ATOM 2448 CG PRO A 155 7.535 -7.314 2.314 1.00 1.15 C ATOM 2449 CD PRO A 155 8.146 -6.310 1.333 1.00 0.81 C ATOM 0 HA PRO A 155 7.173 -4.314 3.649 1.00 1.16 H new ATOM 0 HB2 PRO A 155 6.922 -6.941 4.368 1.00 1.32 H new ATOM 0 HB3 PRO A 155 5.876 -6.198 3.174 1.00 1.32 H new ATOM 0 HG2 PRO A 155 8.292 -7.983 2.724 1.00 1.15 H new ATOM 0 HG3 PRO A 155 6.785 -7.940 1.830 1.00 1.15 H new ATOM 0 HD2 PRO A 155 9.068 -6.700 0.902 1.00 0.81 H new ATOM 0 HD3 PRO A 155 7.465 -6.112 0.505 1.00 0.81 H new ATOM 2457 N ASP A 156 9.959 -5.952 4.302 1.00 1.18 N ATOM 2458 CA ASP A 156 11.109 -5.985 5.216 1.00 1.40 C ATOM 2459 C ASP A 156 11.931 -4.675 5.224 1.00 1.41 C ATOM 2460 O ASP A 156 12.825 -4.488 6.051 1.00 1.75 O ATOM 2461 CB ASP A 156 11.974 -7.212 4.882 1.00 1.70 C ATOM 2462 CG ASP A 156 12.892 -7.020 3.674 1.00 1.58 C ATOM 2463 OD1 ASP A 156 12.455 -6.474 2.633 1.00 2.14 O ATOM 2464 OD2 ASP A 156 14.099 -7.331 3.787 1.00 2.60 O ATOM 0 H ASP A 156 10.072 -6.557 3.489 1.00 1.18 H new ATOM 0 HA ASP A 156 10.729 -6.072 6.234 1.00 1.40 H new ATOM 0 HB2 ASP A 156 12.583 -7.461 5.751 1.00 1.70 H new ATOM 0 HB3 ASP A 156 11.320 -8.064 4.696 1.00 1.70 H new ATOM 2469 N LYS A 157 11.626 -3.745 4.312 1.00 1.01 N ATOM 2470 CA LYS A 157 12.031 -2.345 4.433 1.00 1.03 C ATOM 2471 C LYS A 157 10.978 -1.526 5.207 1.00 1.33 C ATOM 2472 O LYS A 157 11.342 -0.782 6.113 1.00 1.43 O ATOM 2473 CB LYS A 157 12.331 -1.732 3.053 1.00 1.08 C ATOM 2474 CG LYS A 157 13.384 -2.445 2.191 1.00 1.37 C ATOM 2475 CD LYS A 157 14.770 -2.623 2.838 1.00 1.64 C ATOM 2476 CE LYS A 157 14.985 -3.983 3.507 1.00 2.33 C ATOM 2477 NZ LYS A 157 14.901 -5.104 2.546 1.00 3.04 N ATOM 0 H LYS A 157 11.090 -3.945 3.468 1.00 1.01 H new ATOM 0 HA LYS A 157 12.955 -2.311 5.010 1.00 1.03 H new ATOM 0 HB2 LYS A 157 11.399 -1.694 2.489 1.00 1.08 H new ATOM 0 HB3 LYS A 157 12.655 -0.702 3.202 1.00 1.08 H new ATOM 0 HG2 LYS A 157 13.000 -3.429 1.922 1.00 1.37 H new ATOM 0 HG3 LYS A 157 13.506 -1.886 1.263 1.00 1.37 H new ATOM 0 HD2 LYS A 157 15.535 -2.482 2.074 1.00 1.64 H new ATOM 0 HD3 LYS A 157 14.914 -1.839 3.582 1.00 1.64 H new ATOM 0 HE2 LYS A 157 15.961 -3.996 3.992 1.00 2.33 H new ATOM 0 HE3 LYS A 157 14.239 -4.122 4.289 1.00 2.33 H new ATOM 0 HZ1 LYS A 157 15.153 -5.992 3.025 1.00 3.04 H new ATOM 0 HZ2 LYS A 157 13.931 -5.173 2.177 1.00 3.04 H new ATOM 0 HZ3 LYS A 157 15.560 -4.937 1.759 1.00 3.04 H new ATOM 2491 N ALA A 158 9.686 -1.657 4.880 1.00 1.07 N ATOM 2492 CA ALA A 158 8.572 -0.901 5.469 1.00 1.15 C ATOM 2493 C ALA A 158 8.394 -1.158 6.976 1.00 1.35 C ATOM 2494 O ALA A 158 8.010 -0.260 7.723 1.00 1.49 O ATOM 2495 CB ALA A 158 7.291 -1.267 4.705 1.00 1.12 C ATOM 0 H ALA A 158 9.375 -2.319 4.169 1.00 1.07 H new ATOM 0 HA ALA A 158 8.794 0.162 5.376 1.00 1.15 H new ATOM 0 HB1 ALA A 158 6.448 -0.718 5.124 1.00 1.12 H new ATOM 0 HB2 ALA A 158 7.407 -1.006 3.653 1.00 1.12 H new ATOM 0 HB3 ALA A 158 7.107 -2.338 4.795 1.00 1.12 H new ATOM 2501 N GLU A 159 8.719 -2.372 7.419 1.00 1.22 N ATOM 2502 CA GLU A 159 8.605 -2.801 8.810 1.00 1.27 C ATOM 2503 C GLU A 159 9.533 -2.038 9.771 1.00 1.51 C ATOM 2504 O GLU A 159 9.234 -1.891 10.960 1.00 1.76 O ATOM 2505 CB GLU A 159 8.763 -4.326 8.859 1.00 1.31 C ATOM 2506 CG GLU A 159 7.463 -4.932 8.307 1.00 1.72 C ATOM 2507 CD GLU A 159 7.488 -6.431 8.093 1.00 1.80 C ATOM 2508 OE1 GLU A 159 8.299 -7.121 8.739 1.00 2.18 O ATOM 2509 OE2 GLU A 159 6.576 -6.890 7.364 1.00 2.69 O ATOM 0 H GLU A 159 9.078 -3.102 6.804 1.00 1.22 H new ATOM 0 HA GLU A 159 7.614 -2.543 9.184 1.00 1.27 H new ATOM 0 HB2 GLU A 159 9.619 -4.644 8.264 1.00 1.31 H new ATOM 0 HB3 GLU A 159 8.942 -4.662 9.880 1.00 1.31 H new ATOM 0 HG2 GLU A 159 6.650 -4.693 8.993 1.00 1.72 H new ATOM 0 HG3 GLU A 159 7.231 -4.450 7.357 1.00 1.72 H new ATOM 2516 N ALA A 160 10.609 -1.440 9.245 1.00 1.22 N ATOM 2517 CA ALA A 160 11.429 -0.463 9.965 1.00 1.29 C ATOM 2518 C ALA A 160 10.681 0.880 10.119 1.00 1.50 C ATOM 2519 O ALA A 160 10.966 1.852 9.407 1.00 1.48 O ATOM 2520 CB ALA A 160 12.799 -0.320 9.283 1.00 1.31 C ATOM 0 H ALA A 160 10.937 -1.624 8.297 1.00 1.22 H new ATOM 0 HA ALA A 160 11.614 -0.821 10.978 1.00 1.29 H new ATOM 0 HB1 ALA A 160 13.401 0.409 9.826 1.00 1.31 H new ATOM 0 HB2 ALA A 160 13.308 -1.284 9.283 1.00 1.31 H new ATOM 0 HB3 ALA A 160 12.661 0.017 8.256 1.00 1.31 H new ATOM 2526 N THR A 161 9.759 0.921 11.093 1.00 1.35 N ATOM 2527 CA THR A 161 8.939 2.087 11.484 1.00 1.41 C ATOM 2528 C THR A 161 9.726 3.388 11.393 1.00 1.57 C ATOM 2529 O THR A 161 9.380 4.252 10.596 1.00 1.78 O ATOM 2530 CB THR A 161 8.389 1.915 12.906 1.00 1.54 C ATOM 2531 OG1 THR A 161 7.483 0.842 12.912 1.00 1.54 O ATOM 2532 CG2 THR A 161 7.635 3.152 13.408 1.00 1.70 C ATOM 0 H THR A 161 9.551 0.100 11.662 1.00 1.35 H new ATOM 0 HA THR A 161 8.108 2.142 10.781 1.00 1.41 H new ATOM 0 HB THR A 161 9.244 1.745 13.560 1.00 1.54 H new ATOM 0 HG1 THR A 161 7.126 0.721 13.816 1.00 1.54 H new ATOM 0 HG21 THR A 161 7.270 2.970 14.419 1.00 1.70 H new ATOM 0 HG22 THR A 161 8.307 4.010 13.414 1.00 1.70 H new ATOM 0 HG23 THR A 161 6.791 3.356 12.749 1.00 1.70 H new ATOM 2540 N ASP A 162 10.805 3.518 12.162 1.00 1.53 N ATOM 2541 CA ASP A 162 11.591 4.750 12.279 1.00 1.64 C ATOM 2542 C ASP A 162 12.271 5.180 10.970 1.00 1.92 C ATOM 2543 O ASP A 162 12.488 6.372 10.752 1.00 1.99 O ATOM 2544 CB ASP A 162 12.615 4.555 13.403 1.00 1.77 C ATOM 2545 CG ASP A 162 11.904 4.431 14.754 1.00 1.95 C ATOM 2546 OD1 ASP A 162 11.337 3.345 15.026 1.00 2.12 O ATOM 2547 OD2 ASP A 162 11.861 5.448 15.476 1.00 3.15 O ATOM 0 H ASP A 162 11.167 2.755 12.734 1.00 1.53 H new ATOM 0 HA ASP A 162 10.909 5.567 12.515 1.00 1.64 H new ATOM 0 HB2 ASP A 162 13.208 3.660 13.213 1.00 1.77 H new ATOM 0 HB3 ASP A 162 13.307 5.397 13.424 1.00 1.77 H new ATOM 2552 N ARG A 163 12.546 4.229 10.067 1.00 1.57 N ATOM 2553 CA ARG A 163 12.979 4.515 8.698 1.00 1.57 C ATOM 2554 C ARG A 163 11.828 5.093 7.878 1.00 1.68 C ATOM 2555 O ARG A 163 11.998 6.170 7.319 1.00 1.92 O ATOM 2556 CB ARG A 163 13.591 3.271 8.026 1.00 1.53 C ATOM 2557 CG ARG A 163 14.724 2.620 8.841 1.00 1.53 C ATOM 2558 CD ARG A 163 15.882 3.596 9.034 1.00 2.06 C ATOM 2559 NE ARG A 163 16.978 3.029 9.837 1.00 1.77 N ATOM 2560 CZ ARG A 163 18.023 3.713 10.296 1.00 2.66 C ATOM 2561 NH1 ARG A 163 18.233 4.980 9.979 1.00 3.78 N ATOM 2562 NH2 ARG A 163 18.884 3.119 11.094 1.00 2.97 N ATOM 0 H ARG A 163 12.473 3.232 10.271 1.00 1.57 H new ATOM 0 HA ARG A 163 13.766 5.268 8.744 1.00 1.57 H new ATOM 0 HB2 ARG A 163 12.805 2.534 7.861 1.00 1.53 H new ATOM 0 HB3 ARG A 163 13.976 3.551 7.045 1.00 1.53 H new ATOM 0 HG2 ARG A 163 14.344 2.303 9.812 1.00 1.53 H new ATOM 0 HG3 ARG A 163 15.078 1.725 8.330 1.00 1.53 H new ATOM 0 HD2 ARG A 163 16.268 3.892 8.059 1.00 2.06 H new ATOM 0 HD3 ARG A 163 15.513 4.500 9.519 1.00 2.06 H new ATOM 0 HE ARG A 163 16.933 2.034 10.059 1.00 1.77 H new ATOM 0 HH11 ARG A 163 17.582 5.466 9.362 1.00 3.78 H new ATOM 0 HH12 ARG A 163 19.046 5.471 10.351 1.00 3.78 H new ATOM 0 HH21 ARG A 163 18.747 2.143 11.356 1.00 2.97 H new ATOM 0 HH22 ARG A 163 19.688 3.635 11.451 1.00 2.97 H new ATOM 2576 N VAL A 164 10.646 4.460 7.886 1.00 1.45 N ATOM 2577 CA VAL A 164 9.458 5.003 7.199 1.00 1.43 C ATOM 2578 C VAL A 164 9.038 6.364 7.784 1.00 1.52 C ATOM 2579 O VAL A 164 8.767 7.282 7.024 1.00 1.58 O ATOM 2580 CB VAL A 164 8.276 4.005 7.200 1.00 1.39 C ATOM 2581 CG1 VAL A 164 6.994 4.591 6.582 1.00 1.38 C ATOM 2582 CG2 VAL A 164 8.651 2.735 6.423 1.00 1.54 C ATOM 0 H VAL A 164 10.484 3.571 8.360 1.00 1.45 H new ATOM 0 HA VAL A 164 9.743 5.162 6.159 1.00 1.43 H new ATOM 0 HB VAL A 164 8.074 3.776 8.246 1.00 1.39 H new ATOM 0 HG11 VAL A 164 6.201 3.844 6.612 1.00 1.38 H new ATOM 0 HG12 VAL A 164 6.686 5.470 7.149 1.00 1.38 H new ATOM 0 HG13 VAL A 164 7.186 4.875 5.547 1.00 1.38 H new ATOM 0 HG21 VAL A 164 7.810 2.041 6.432 1.00 1.54 H new ATOM 0 HG22 VAL A 164 8.895 2.997 5.393 1.00 1.54 H new ATOM 0 HG23 VAL A 164 9.515 2.264 6.891 1.00 1.54 H new ATOM 2592 N VAL A 165 9.047 6.534 9.110 1.00 1.37 N ATOM 2593 CA VAL A 165 8.753 7.823 9.768 1.00 1.33 C ATOM 2594 C VAL A 165 9.684 8.933 9.266 1.00 1.50 C ATOM 2595 O VAL A 165 9.206 9.995 8.881 1.00 1.67 O ATOM 2596 CB VAL A 165 8.854 7.710 11.306 1.00 1.29 C ATOM 2597 CG1 VAL A 165 8.844 9.063 12.041 1.00 1.33 C ATOM 2598 CG2 VAL A 165 7.685 6.880 11.849 1.00 1.50 C ATOM 0 H VAL A 165 9.259 5.781 9.765 1.00 1.37 H new ATOM 0 HA VAL A 165 7.728 8.084 9.507 1.00 1.33 H new ATOM 0 HB VAL A 165 9.817 7.236 11.495 1.00 1.29 H new ATOM 0 HG11 VAL A 165 8.918 8.894 13.115 1.00 1.33 H new ATOM 0 HG12 VAL A 165 9.691 9.664 11.709 1.00 1.33 H new ATOM 0 HG13 VAL A 165 7.916 9.590 11.820 1.00 1.33 H new ATOM 0 HG21 VAL A 165 7.764 6.806 12.934 1.00 1.50 H new ATOM 0 HG22 VAL A 165 6.743 7.362 11.586 1.00 1.50 H new ATOM 0 HG23 VAL A 165 7.715 5.881 11.414 1.00 1.50 H new ATOM 2608 N ALA A 166 11.002 8.707 9.269 1.00 1.36 N ATOM 2609 CA ALA A 166 11.991 9.709 8.860 1.00 1.41 C ATOM 2610 C ALA A 166 11.952 10.010 7.349 1.00 1.60 C ATOM 2611 O ALA A 166 12.050 11.167 6.946 1.00 1.72 O ATOM 2612 CB ALA A 166 13.364 9.188 9.299 1.00 1.44 C ATOM 0 H ALA A 166 11.414 7.819 9.557 1.00 1.36 H new ATOM 0 HA ALA A 166 11.765 10.662 9.338 1.00 1.41 H new ATOM 0 HB1 ALA A 166 14.134 9.905 9.014 1.00 1.44 H new ATOM 0 HB2 ALA A 166 13.374 9.056 10.381 1.00 1.44 H new ATOM 0 HB3 ALA A 166 13.562 8.232 8.815 1.00 1.44 H new ATOM 2618 N ASP A 167 11.786 8.987 6.515 1.00 1.35 N ATOM 2619 CA ASP A 167 11.636 9.162 5.072 1.00 1.38 C ATOM 2620 C ASP A 167 10.348 9.936 4.714 1.00 1.70 C ATOM 2621 O ASP A 167 10.379 10.881 3.928 1.00 1.68 O ATOM 2622 CB ASP A 167 11.702 7.765 4.435 1.00 1.43 C ATOM 2623 CG ASP A 167 12.117 7.768 2.968 1.00 1.94 C ATOM 2624 OD1 ASP A 167 12.362 8.854 2.403 1.00 3.13 O ATOM 2625 OD2 ASP A 167 12.232 6.644 2.426 1.00 2.20 O ATOM 0 H ASP A 167 11.752 8.014 6.819 1.00 1.35 H new ATOM 0 HA ASP A 167 12.441 9.779 4.673 1.00 1.38 H new ATOM 0 HB2 ASP A 167 12.406 7.153 4.999 1.00 1.43 H new ATOM 0 HB3 ASP A 167 10.725 7.290 4.524 1.00 1.43 H new ATOM 2630 N LEU A 168 9.227 9.646 5.394 1.00 1.39 N ATOM 2631 CA LEU A 168 8.003 10.442 5.269 1.00 1.46 C ATOM 2632 C LEU A 168 8.175 11.862 5.811 1.00 1.77 C ATOM 2633 O LEU A 168 7.687 12.787 5.176 1.00 1.98 O ATOM 2634 CB LEU A 168 6.820 9.738 5.952 1.00 1.54 C ATOM 2635 CG LEU A 168 6.346 8.457 5.238 1.00 1.60 C ATOM 2636 CD1 LEU A 168 5.199 7.847 6.053 1.00 1.69 C ATOM 2637 CD2 LEU A 168 5.879 8.706 3.796 1.00 2.13 C ATOM 0 H LEU A 168 9.147 8.860 6.039 1.00 1.39 H new ATOM 0 HA LEU A 168 7.789 10.530 4.204 1.00 1.46 H new ATOM 0 HB2 LEU A 168 7.103 9.487 6.974 1.00 1.54 H new ATOM 0 HB3 LEU A 168 5.985 10.435 6.015 1.00 1.54 H new ATOM 0 HG LEU A 168 7.196 7.777 5.174 1.00 1.60 H new ATOM 0 HD11 LEU A 168 4.849 6.938 5.564 1.00 1.69 H new ATOM 0 HD12 LEU A 168 5.553 7.606 7.056 1.00 1.69 H new ATOM 0 HD13 LEU A 168 4.379 8.562 6.119 1.00 1.69 H new ATOM 0 HD21 LEU A 168 5.558 7.765 3.350 1.00 2.13 H new ATOM 0 HD22 LEU A 168 5.045 9.408 3.800 1.00 2.13 H new ATOM 0 HD23 LEU A 168 6.701 9.122 3.214 1.00 2.13 H new ATOM 2649 N GLN A 169 8.900 12.064 6.915 1.00 1.37 N ATOM 2650 CA GLN A 169 9.251 13.402 7.410 1.00 1.42 C ATOM 2651 C GLN A 169 10.012 14.253 6.377 1.00 1.75 C ATOM 2652 O GLN A 169 9.893 15.475 6.418 1.00 1.81 O ATOM 2653 CB GLN A 169 10.069 13.294 8.710 1.00 1.47 C ATOM 2654 CG GLN A 169 9.226 13.125 9.983 1.00 1.57 C ATOM 2655 CD GLN A 169 10.030 13.123 11.296 1.00 1.49 C ATOM 2656 OE1 GLN A 169 9.482 12.956 12.374 1.00 2.18 O ATOM 2657 NE2 GLN A 169 11.336 13.302 11.313 1.00 2.23 N ATOM 0 H GLN A 169 9.261 11.305 7.493 1.00 1.37 H new ATOM 0 HA GLN A 169 8.309 13.915 7.606 1.00 1.42 H new ATOM 0 HB2 GLN A 169 10.750 12.447 8.626 1.00 1.47 H new ATOM 0 HB3 GLN A 169 10.683 14.188 8.813 1.00 1.47 H new ATOM 0 HG2 GLN A 169 8.492 13.929 10.025 1.00 1.57 H new ATOM 0 HG3 GLN A 169 8.671 12.190 9.912 1.00 1.57 H new ATOM 0 HE21 GLN A 169 11.842 13.446 10.439 1.00 2.23 H new ATOM 0 HE22 GLN A 169 11.840 13.297 12.200 1.00 2.23 H new ATOM 2666 N ALA A 170 10.781 13.652 5.460 1.00 1.46 N ATOM 2667 CA ALA A 170 11.383 14.350 4.317 1.00 1.55 C ATOM 2668 C ALA A 170 10.431 14.708 3.163 1.00 1.68 C ATOM 2669 O ALA A 170 10.776 15.549 2.331 1.00 1.93 O ATOM 2670 CB ALA A 170 12.514 13.469 3.784 1.00 1.60 C ATOM 0 H ALA A 170 11.005 12.657 5.491 1.00 1.46 H new ATOM 0 HA ALA A 170 11.724 15.314 4.694 1.00 1.55 H new ATOM 0 HB1 ALA A 170 12.985 13.958 2.931 1.00 1.60 H new ATOM 0 HB2 ALA A 170 13.255 13.314 4.568 1.00 1.60 H new ATOM 0 HB3 ALA A 170 12.109 12.506 3.472 1.00 1.60 H new ATOM 2676 N LEU A 171 9.296 14.021 3.061 1.00 1.52 N ATOM 2677 CA LEU A 171 8.411 14.041 1.891 1.00 1.54 C ATOM 2678 C LEU A 171 7.078 14.744 2.159 1.00 1.81 C ATOM 2679 O LEU A 171 6.395 15.081 1.195 1.00 2.10 O ATOM 2680 CB LEU A 171 8.142 12.583 1.469 1.00 1.54 C ATOM 2681 CG LEU A 171 9.368 11.833 0.910 1.00 1.71 C ATOM 2682 CD1 LEU A 171 9.030 10.342 0.784 1.00 1.78 C ATOM 2683 CD2 LEU A 171 9.807 12.379 -0.460 1.00 2.08 C ATOM 0 H LEU A 171 8.954 13.417 3.809 1.00 1.52 H new ATOM 0 HA LEU A 171 8.910 14.605 1.103 1.00 1.54 H new ATOM 0 HB2 LEU A 171 7.761 12.035 2.331 1.00 1.54 H new ATOM 0 HB3 LEU A 171 7.356 12.578 0.714 1.00 1.54 H new ATOM 0 HG LEU A 171 10.197 11.981 1.602 1.00 1.71 H new ATOM 0 HD11 LEU A 171 9.893 9.805 0.389 1.00 1.78 H new ATOM 0 HD12 LEU A 171 8.773 9.943 1.765 1.00 1.78 H new ATOM 0 HD13 LEU A 171 8.184 10.217 0.108 1.00 1.78 H new ATOM 0 HD21 LEU A 171 10.673 11.820 -0.814 1.00 2.08 H new ATOM 0 HD22 LEU A 171 8.990 12.271 -1.173 1.00 2.08 H new ATOM 0 HD23 LEU A 171 10.069 13.433 -0.365 1.00 2.08 H new ATOM 2695 N LEU A 172 6.692 14.897 3.430 1.00 1.53 N ATOM 2696 CA LEU A 172 5.292 15.096 3.868 1.00 1.70 C ATOM 2697 C LEU A 172 4.577 16.419 3.536 1.00 1.92 C ATOM 2698 O LEU A 172 3.376 16.501 3.857 1.00 2.43 O ATOM 2699 CB LEU A 172 5.106 14.573 5.299 1.00 2.24 C ATOM 2700 CG LEU A 172 5.959 15.243 6.363 1.00 1.73 C ATOM 2701 CD1 LEU A 172 5.690 16.733 6.387 1.00 2.88 C ATOM 2702 CD2 LEU A 172 5.597 14.617 7.706 1.00 1.82 C ATOM 2703 OXT LEU A 172 5.154 17.345 2.937 1.00 2.38 O ATOM 0 H LEU A 172 7.354 14.887 4.206 1.00 1.53 H new ATOM 0 HA LEU A 172 4.709 14.475 3.187 1.00 1.70 H new ATOM 0 HB2 LEU A 172 4.058 14.688 5.575 1.00 2.24 H new ATOM 0 HB3 LEU A 172 5.322 13.505 5.306 1.00 2.24 H new ATOM 0 HG LEU A 172 7.018 15.099 6.150 1.00 1.73 H new ATOM 0 HD11 LEU A 172 6.307 17.202 7.153 1.00 2.88 H new ATOM 0 HD12 LEU A 172 5.931 17.162 5.414 1.00 2.88 H new ATOM 0 HD13 LEU A 172 4.638 16.909 6.610 1.00 2.88 H new ATOM 0 HD21 LEU A 172 6.193 15.077 8.494 1.00 1.82 H new ATOM 0 HD22 LEU A 172 4.539 14.780 7.910 1.00 1.82 H new ATOM 0 HD23 LEU A 172 5.800 13.547 7.675 1.00 1.82 H new