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 62 TYR OH : rot 42:sc= 1.22 USER MOD Set 1.2: A 70 GLN : amide:sc= 1.11 X(o=1.7,f=1.5) USER MOD Set 1.3: A 98 HIS : no HD1:sc= -1.75 X(o=1.7,f=2.1) USER MOD Set 1.4: A 100 SER OG : rot -173:sc= 1.12 USER MOD Set 2.1: A 36 LYS NZ :NH3+ 179:sc= 2.16 (180deg=0.878) USER MOD Set 2.2: A 74 GLN : amide:sc= 1 K(o=3.2,f=-7.4!) USER MOD Set 3.1: A 47 CYS SG : rot 7:sc= 2.76 USER MOD Set 3.2: A 51 CYS SG : rot 95:sc= 1.38 USER MOD Single : A 7 TYR OH : rot 39:sc= 0.0911 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 1.26 (180deg=1.14) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 31 SER OG : rot -133:sc= 1.19 USER MOD Single : A 32 GLN : amide:sc= -0.0457 K(o=-0.046,f=-6.3!) USER MOD Single : A 34 GLN : amide:sc= 0.895 K(o=0.9,f=-0.49) USER MOD Single : A 45 THR OG1 : rot -128:sc= 1.13 USER MOD Single : A 53 THR OG1 : rot -146:sc= 0.587 USER MOD Single : A 54 THR OG1 : rot -170:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0.356 (180deg=0.242) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= 0.427 (180deg=-0.547) USER MOD Single : A 68 LYS NZ :NH3+ 152:sc= 1.2 (180deg=0.471) USER MOD Single : A 79 SER OG : rot 88:sc= 0.823 USER MOD Single : A 93 TYR OH : rot -142:sc= 0.322 USER MOD Single : A 95 LYS NZ :NH3+ -165:sc= 1.07! (180deg=0.787!) USER MOD Single : A 105 SER OG : rot 170:sc= 1.24 USER MOD Single : A 107 SER OG : rot -70:sc= 0.883 USER MOD Single : A 116 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.061) USER MOD Single : A 117 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 124 LYS NZ :NH3+ -162:sc= 0.924 (180deg=0.733) USER MOD Single : A 137 HIS : no HE2:sc= -0.264 X(o=-0.26,f=-0.56) USER MOD Single : A 138 THR OG1 : rot -115:sc= 0.904 USER MOD Single : A 140 THR OG1 : rot 65:sc= 1.2 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -155:sc= 2.29 (180deg=0.745) USER MOD Single : A 153 TYR OH : rot 16:sc= 1.27 USER MOD Single : A 154 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 157 LYS NZ :NH3+ -121:sc= 1.22 (180deg=0.321) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc=-0.00919 X(o=-0.0092,f=-0.39) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.664 6.349 3.977 1.00 2.23 N ATOM 90 CA TYR A 7 16.073 4.940 3.930 1.00 2.10 C ATOM 91 C TYR A 7 15.441 4.125 2.773 1.00 2.02 C ATOM 92 O TYR A 7 15.939 3.038 2.471 1.00 2.01 O ATOM 93 CB TYR A 7 15.809 4.270 5.297 1.00 2.30 C ATOM 94 CG TYR A 7 14.515 3.486 5.347 1.00 2.86 C ATOM 95 CD1 TYR A 7 13.286 4.137 5.140 1.00 4.52 C ATOM 96 CD2 TYR A 7 14.553 2.089 5.501 1.00 2.78 C ATOM 97 CE1 TYR A 7 12.110 3.390 4.966 1.00 5.71 C ATOM 98 CE2 TYR A 7 13.376 1.340 5.362 1.00 3.89 C ATOM 99 CZ TYR A 7 12.162 1.983 5.032 1.00 5.24 C ATOM 100 OH TYR A 7 11.053 1.256 4.734 1.00 6.55 O ATOM 0 HA TYR A 7 17.142 4.939 3.718 1.00 2.10 H new ATOM 0 HB2 TYR A 7 16.638 3.602 5.531 1.00 2.30 H new ATOM 0 HB3 TYR A 7 15.789 5.037 6.071 1.00 2.30 H new ATOM 0 HD1 TYR A 7 13.246 5.216 5.115 1.00 4.52 H new ATOM 0 HD2 TYR A 7 15.486 1.594 5.726 1.00 2.78 H new ATOM 0 HE1 TYR A 7 11.171 3.891 4.783 1.00 5.71 H new ATOM 0 HE2 TYR A 7 13.397 0.270 5.507 1.00 3.89 H new ATOM 0 HH TYR A 7 10.583 1.671 3.981 1.00 6.55 H new ATOM 110 N GLY A 8 14.348 4.597 2.157 1.00 1.64 N ATOM 111 CA GLY A 8 13.714 3.924 1.023 1.00 1.37 C ATOM 112 C GLY A 8 14.406 4.245 -0.302 1.00 1.51 C ATOM 113 O GLY A 8 15.319 5.076 -0.378 1.00 1.94 O ATOM 0 H GLY A 8 13.880 5.460 2.435 1.00 1.64 H new ATOM 0 HA2 GLY A 8 13.730 2.847 1.187 1.00 1.37 H new ATOM 0 HA3 GLY A 8 12.667 4.222 0.965 1.00 1.37 H new ATOM 117 N THR A 9 13.950 3.590 -1.371 1.00 1.13 N ATOM 118 CA THR A 9 14.543 3.729 -2.710 1.00 1.12 C ATOM 119 C THR A 9 13.924 4.938 -3.379 1.00 1.33 C ATOM 120 O THR A 9 12.851 4.872 -3.977 1.00 1.23 O ATOM 121 CB THR A 9 14.368 2.475 -3.552 1.00 1.07 C ATOM 122 OG1 THR A 9 14.834 1.378 -2.806 1.00 1.29 O ATOM 123 CG2 THR A 9 15.158 2.540 -4.861 1.00 1.22 C ATOM 0 H THR A 9 13.159 2.947 -1.337 1.00 1.13 H new ATOM 0 HA THR A 9 15.619 3.869 -2.611 1.00 1.12 H new ATOM 0 HB THR A 9 13.312 2.380 -3.803 1.00 1.07 H new ATOM 0 HG1 THR A 9 14.729 0.557 -3.331 1.00 1.29 H new ATOM 0 HG21 THR A 9 15.001 1.622 -5.427 1.00 1.22 H new ATOM 0 HG22 THR A 9 14.817 3.392 -5.450 1.00 1.22 H new ATOM 0 HG23 THR A 9 16.219 2.653 -4.640 1.00 1.22 H new ATOM 131 N ARG A 10 14.595 6.067 -3.203 1.00 1.28 N ATOM 132 CA ARG A 10 14.125 7.379 -3.641 1.00 1.36 C ATOM 133 C ARG A 10 14.230 7.543 -5.155 1.00 1.74 C ATOM 134 O ARG A 10 15.278 7.308 -5.753 1.00 1.89 O ATOM 135 CB ARG A 10 14.865 8.465 -2.857 1.00 1.52 C ATOM 136 CG ARG A 10 14.384 9.873 -3.241 1.00 1.97 C ATOM 137 CD ARG A 10 14.836 10.919 -2.222 1.00 2.12 C ATOM 138 NE ARG A 10 16.297 10.878 -2.004 1.00 2.37 N ATOM 139 CZ ARG A 10 16.937 11.299 -0.921 1.00 3.51 C ATOM 140 NH1 ARG A 10 16.338 12.021 -0.005 1.00 4.10 N ATOM 141 NH2 ARG A 10 18.198 10.976 -0.730 1.00 5.01 N ATOM 0 H ARG A 10 15.504 6.100 -2.741 1.00 1.28 H new ATOM 0 HA ARG A 10 13.062 7.478 -3.422 1.00 1.36 H new ATOM 0 HB2 ARG A 10 14.715 8.308 -1.789 1.00 1.52 H new ATOM 0 HB3 ARG A 10 15.936 8.383 -3.044 1.00 1.52 H new ATOM 0 HG2 ARG A 10 14.770 10.134 -4.227 1.00 1.97 H new ATOM 0 HG3 ARG A 10 13.296 9.880 -3.312 1.00 1.97 H new ATOM 0 HD2 ARG A 10 14.548 11.912 -2.568 1.00 2.12 H new ATOM 0 HD3 ARG A 10 14.322 10.750 -1.276 1.00 2.12 H new ATOM 0 HE ARG A 10 16.866 10.490 -2.756 1.00 2.37 H new ATOM 0 HH11 ARG A 10 15.356 12.272 -0.115 1.00 4.10 H new ATOM 0 HH12 ARG A 10 16.854 12.331 0.818 1.00 4.10 H new ATOM 0 HH21 ARG A 10 18.686 10.400 -1.416 1.00 5.01 H new ATOM 0 HH22 ARG A 10 18.687 11.301 0.104 1.00 5.01 H new ATOM 155 N LEU A 11 13.136 7.994 -5.766 1.00 1.38 N ATOM 156 CA LEU A 11 12.995 8.097 -7.215 1.00 1.45 C ATOM 157 C LEU A 11 13.300 9.528 -7.670 1.00 1.90 C ATOM 158 O LEU A 11 12.561 10.458 -7.370 1.00 2.61 O ATOM 159 CB LEU A 11 11.587 7.627 -7.626 1.00 1.32 C ATOM 160 CG LEU A 11 11.271 6.159 -7.255 1.00 1.22 C ATOM 161 CD1 LEU A 11 9.845 5.814 -7.689 1.00 1.30 C ATOM 162 CD2 LEU A 11 12.248 5.160 -7.899 1.00 1.27 C ATOM 0 H LEU A 11 12.308 8.304 -5.257 1.00 1.38 H new ATOM 0 HA LEU A 11 13.714 7.448 -7.714 1.00 1.45 H new ATOM 0 HB2 LEU A 11 10.849 8.275 -7.154 1.00 1.32 H new ATOM 0 HB3 LEU A 11 11.476 7.749 -8.704 1.00 1.32 H new ATOM 0 HG LEU A 11 11.377 6.074 -6.174 1.00 1.22 H new ATOM 0 HD11 LEU A 11 9.625 4.779 -7.426 1.00 1.30 H new ATOM 0 HD12 LEU A 11 9.141 6.474 -7.183 1.00 1.30 H new ATOM 0 HD13 LEU A 11 9.752 5.942 -8.767 1.00 1.30 H new ATOM 0 HD21 LEU A 11 11.978 4.146 -7.604 1.00 1.27 H new ATOM 0 HD22 LEU A 11 12.196 5.248 -8.984 1.00 1.27 H new ATOM 0 HD23 LEU A 11 13.263 5.377 -7.566 1.00 1.27 H new ATOM 174 N LEU A 12 14.408 9.693 -8.399 1.00 1.50 N ATOM 175 CA LEU A 12 14.866 10.982 -8.945 1.00 1.68 C ATOM 176 C LEU A 12 14.124 11.380 -10.235 1.00 2.15 C ATOM 177 O LEU A 12 14.140 12.545 -10.616 1.00 2.76 O ATOM 178 CB LEU A 12 16.393 10.930 -9.176 1.00 1.63 C ATOM 179 CG LEU A 12 17.309 11.021 -7.933 1.00 1.85 C ATOM 180 CD1 LEU A 12 17.102 12.326 -7.153 1.00 3.28 C ATOM 181 CD2 LEU A 12 17.181 9.827 -6.972 1.00 3.09 C ATOM 0 H LEU A 12 15.028 8.918 -8.633 1.00 1.50 H new ATOM 0 HA LEU A 12 14.634 11.755 -8.213 1.00 1.68 H new ATOM 0 HB2 LEU A 12 16.623 9.999 -9.695 1.00 1.63 H new ATOM 0 HB3 LEU A 12 16.659 11.745 -9.850 1.00 1.63 H new ATOM 0 HG LEU A 12 18.319 11.002 -8.344 1.00 1.85 H new ATOM 0 HD11 LEU A 12 17.767 12.343 -6.290 1.00 3.28 H new ATOM 0 HD12 LEU A 12 17.324 13.175 -7.799 1.00 3.28 H new ATOM 0 HD13 LEU A 12 16.067 12.388 -6.815 1.00 3.28 H new ATOM 0 HD21 LEU A 12 17.855 9.966 -6.127 1.00 3.09 H new ATOM 0 HD22 LEU A 12 16.155 9.759 -6.610 1.00 3.09 H new ATOM 0 HD23 LEU A 12 17.442 8.908 -7.497 1.00 3.09 H new ATOM 193 N ASN A 13 13.435 10.429 -10.870 1.00 1.83 N ATOM 194 CA ASN A 13 12.419 10.672 -11.895 1.00 2.09 C ATOM 195 C ASN A 13 11.039 10.281 -11.316 1.00 1.85 C ATOM 196 O ASN A 13 10.602 9.145 -11.533 1.00 1.92 O ATOM 197 CB ASN A 13 12.804 9.861 -13.148 1.00 2.45 C ATOM 198 CG ASN A 13 11.832 10.016 -14.316 1.00 3.37 C ATOM 199 OD1 ASN A 13 10.840 10.728 -14.258 1.00 3.97 O ATOM 200 ND2 ASN A 13 12.103 9.343 -15.420 1.00 4.16 N ATOM 0 H ASN A 13 13.574 9.437 -10.678 1.00 1.83 H new ATOM 0 HA ASN A 13 12.361 11.721 -12.186 1.00 2.09 H new ATOM 0 HB2 ASN A 13 13.798 10.167 -13.474 1.00 2.45 H new ATOM 0 HB3 ASN A 13 12.867 8.806 -12.880 1.00 2.45 H new ATOM 0 HD21 ASN A 13 11.484 9.417 -16.227 1.00 4.16 H new ATOM 0 HD22 ASN A 13 12.932 8.750 -15.465 1.00 4.16 H new ATOM 207 N PRO A 14 10.391 11.151 -10.511 1.00 1.56 N ATOM 208 CA PRO A 14 9.164 10.803 -9.806 1.00 1.34 C ATOM 209 C PRO A 14 7.976 10.816 -10.764 1.00 1.45 C ATOM 210 O PRO A 14 7.431 11.856 -11.136 1.00 1.54 O ATOM 211 CB PRO A 14 9.040 11.795 -8.652 1.00 1.35 C ATOM 212 CG PRO A 14 9.752 13.037 -9.187 1.00 1.50 C ATOM 213 CD PRO A 14 10.871 12.447 -10.048 1.00 1.67 C ATOM 0 HA PRO A 14 9.184 9.790 -9.404 1.00 1.34 H new ATOM 0 HB2 PRO A 14 7.998 12.001 -8.408 1.00 1.35 H new ATOM 0 HB3 PRO A 14 9.512 11.419 -7.744 1.00 1.35 H new ATOM 0 HG2 PRO A 14 9.081 13.666 -9.772 1.00 1.50 H new ATOM 0 HG3 PRO A 14 10.146 13.655 -8.381 1.00 1.50 H new ATOM 0 HD2 PRO A 14 11.099 13.100 -10.890 1.00 1.67 H new ATOM 0 HD3 PRO A 14 11.789 12.338 -9.471 1.00 1.67 H new ATOM 221 N LYS A 15 7.597 9.614 -11.183 1.00 1.14 N ATOM 222 CA LYS A 15 6.667 9.399 -12.289 1.00 1.17 C ATOM 223 C LYS A 15 5.212 9.667 -11.855 1.00 1.27 C ATOM 224 O LYS A 15 4.804 9.136 -10.819 1.00 1.33 O ATOM 225 CB LYS A 15 6.839 7.961 -12.794 1.00 1.29 C ATOM 226 CG LYS A 15 6.078 7.660 -14.099 1.00 1.82 C ATOM 227 CD LYS A 15 5.925 6.160 -14.400 1.00 2.17 C ATOM 228 CE LYS A 15 4.894 5.520 -13.457 1.00 2.34 C ATOM 229 NZ LYS A 15 4.564 4.123 -13.836 1.00 3.01 N ATOM 0 H LYS A 15 7.931 8.748 -10.759 1.00 1.14 H new ATOM 0 HA LYS A 15 6.888 10.099 -13.094 1.00 1.17 H new ATOM 0 HB2 LYS A 15 7.900 7.766 -12.951 1.00 1.29 H new ATOM 0 HB3 LYS A 15 6.500 7.272 -12.020 1.00 1.29 H new ATOM 0 HG2 LYS A 15 5.088 8.112 -14.043 1.00 1.82 H new ATOM 0 HG3 LYS A 15 6.599 8.136 -14.930 1.00 1.82 H new ATOM 0 HD2 LYS A 15 5.614 6.022 -15.435 1.00 2.17 H new ATOM 0 HD3 LYS A 15 6.888 5.661 -14.287 1.00 2.17 H new ATOM 0 HE2 LYS A 15 5.281 5.534 -12.438 1.00 2.34 H new ATOM 0 HE3 LYS A 15 3.983 6.118 -13.461 1.00 2.34 H new ATOM 0 HZ1 LYS A 15 4.167 3.625 -13.014 1.00 3.01 H new ATOM 0 HZ2 LYS A 15 3.867 4.128 -14.608 1.00 3.01 H new ATOM 0 HZ3 LYS A 15 5.427 3.636 -14.152 1.00 3.01 H new ATOM 243 N PRO A 16 4.415 10.419 -12.636 1.00 1.12 N ATOM 244 CA PRO A 16 2.999 10.619 -12.360 1.00 1.15 C ATOM 245 C PRO A 16 2.264 9.284 -12.512 1.00 1.28 C ATOM 246 O PRO A 16 2.618 8.479 -13.374 1.00 1.24 O ATOM 247 CB PRO A 16 2.533 11.702 -13.335 1.00 1.35 C ATOM 248 CG PRO A 16 3.502 11.585 -14.514 1.00 1.31 C ATOM 249 CD PRO A 16 4.788 11.023 -13.903 1.00 1.22 C ATOM 0 HA PRO A 16 2.793 10.950 -11.342 1.00 1.15 H new ATOM 0 HB2 PRO A 16 1.502 11.539 -13.649 1.00 1.35 H new ATOM 0 HB3 PRO A 16 2.575 12.692 -12.881 1.00 1.35 H new ATOM 0 HG2 PRO A 16 3.108 10.924 -15.286 1.00 1.31 H new ATOM 0 HG3 PRO A 16 3.676 12.554 -14.982 1.00 1.31 H new ATOM 0 HD2 PRO A 16 5.242 10.286 -14.565 1.00 1.22 H new ATOM 0 HD3 PRO A 16 5.524 11.813 -13.754 1.00 1.22 H new ATOM 257 N VAL A 17 1.285 9.037 -11.639 1.00 0.93 N ATOM 258 CA VAL A 17 0.580 7.754 -11.492 1.00 0.85 C ATOM 259 C VAL A 17 -0.869 7.980 -11.045 1.00 1.24 C ATOM 260 O VAL A 17 -1.136 8.835 -10.203 1.00 1.28 O ATOM 261 CB VAL A 17 1.280 6.804 -10.479 1.00 0.77 C ATOM 262 CG1 VAL A 17 2.537 6.154 -11.079 1.00 0.88 C ATOM 263 CG2 VAL A 17 1.667 7.458 -9.137 1.00 0.88 C ATOM 0 H VAL A 17 0.947 9.748 -10.990 1.00 0.93 H new ATOM 0 HA VAL A 17 0.598 7.279 -12.473 1.00 0.85 H new ATOM 0 HB VAL A 17 0.520 6.052 -10.268 1.00 0.77 H new ATOM 0 HG11 VAL A 17 2.996 5.498 -10.339 1.00 0.88 H new ATOM 0 HG12 VAL A 17 2.261 5.572 -11.958 1.00 0.88 H new ATOM 0 HG13 VAL A 17 3.247 6.930 -11.366 1.00 0.88 H new ATOM 0 HG21 VAL A 17 2.148 6.718 -8.497 1.00 0.88 H new ATOM 0 HG22 VAL A 17 2.355 8.283 -9.320 1.00 0.88 H new ATOM 0 HG23 VAL A 17 0.771 7.835 -8.644 1.00 0.88 H new ATOM 273 N ASP A 18 -1.783 7.168 -11.577 1.00 0.91 N ATOM 274 CA ASP A 18 -3.166 7.004 -11.114 1.00 0.93 C ATOM 275 C ASP A 18 -3.665 5.615 -11.530 1.00 1.24 C ATOM 276 O ASP A 18 -3.157 5.027 -12.483 1.00 1.67 O ATOM 277 CB ASP A 18 -4.095 8.111 -11.651 1.00 0.98 C ATOM 278 CG ASP A 18 -5.526 8.022 -11.096 1.00 1.35 C ATOM 279 OD1 ASP A 18 -5.710 7.634 -9.920 1.00 2.10 O ATOM 280 OD2 ASP A 18 -6.479 8.405 -11.810 1.00 2.33 O ATOM 0 H ASP A 18 -1.571 6.577 -12.381 1.00 0.91 H new ATOM 0 HA ASP A 18 -3.183 7.092 -10.028 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -3.674 9.084 -11.398 1.00 0.98 H new ATOM 0 HB3 ASP A 18 -4.130 8.051 -12.739 1.00 0.98 H new ATOM 285 N PHE A 19 -4.647 5.080 -10.806 1.00 1.01 N ATOM 286 CA PHE A 19 -5.214 3.753 -11.025 1.00 1.06 C ATOM 287 C PHE A 19 -6.712 3.749 -10.710 1.00 1.80 C ATOM 288 O PHE A 19 -7.214 4.661 -10.061 1.00 1.94 O ATOM 289 CB PHE A 19 -4.452 2.723 -10.173 1.00 1.09 C ATOM 290 CG PHE A 19 -4.644 2.828 -8.665 1.00 1.15 C ATOM 291 CD1 PHE A 19 -5.701 2.138 -8.037 1.00 2.02 C ATOM 292 CD2 PHE A 19 -3.757 3.588 -7.876 1.00 2.03 C ATOM 293 CE1 PHE A 19 -5.885 2.228 -6.647 1.00 1.98 C ATOM 294 CE2 PHE A 19 -3.924 3.650 -6.481 1.00 1.85 C ATOM 295 CZ PHE A 19 -5.001 2.990 -5.866 1.00 1.27 C ATOM 0 H PHE A 19 -5.082 5.574 -10.027 1.00 1.01 H new ATOM 0 HA PHE A 19 -5.105 3.479 -12.074 1.00 1.06 H new ATOM 0 HB2 PHE A 19 -4.755 1.725 -10.489 1.00 1.09 H new ATOM 0 HB3 PHE A 19 -3.388 2.817 -10.391 1.00 1.09 H new ATOM 0 HD1 PHE A 19 -6.374 1.536 -8.629 1.00 2.02 H new ATOM 0 HD2 PHE A 19 -2.946 4.125 -8.345 1.00 2.03 H new ATOM 0 HE1 PHE A 19 -6.708 1.710 -6.178 1.00 1.98 H new ATOM 0 HE2 PHE A 19 -3.221 4.208 -5.880 1.00 1.85 H new ATOM 0 HZ PHE A 19 -5.148 3.068 -4.799 1.00 1.27 H new ATOM 305 N ALA A 20 -7.420 2.692 -11.106 1.00 1.18 N ATOM 306 CA ALA A 20 -8.787 2.414 -10.668 1.00 1.22 C ATOM 307 C ALA A 20 -8.866 1.011 -10.050 1.00 1.33 C ATOM 308 O ALA A 20 -8.290 0.079 -10.602 1.00 1.48 O ATOM 309 CB ALA A 20 -9.728 2.562 -11.870 1.00 1.32 C ATOM 0 H ALA A 20 -7.053 1.993 -11.752 1.00 1.18 H new ATOM 0 HA ALA A 20 -9.092 3.123 -9.898 1.00 1.22 H new ATOM 0 HB1 ALA A 20 -10.752 2.357 -11.558 1.00 1.32 H new ATOM 0 HB2 ALA A 20 -9.664 3.578 -12.260 1.00 1.32 H new ATOM 0 HB3 ALA A 20 -9.438 1.856 -12.648 1.00 1.32 H new ATOM 315 N LEU A 21 -9.543 0.895 -8.901 1.00 1.22 N ATOM 316 CA LEU A 21 -9.928 -0.334 -8.199 1.00 1.19 C ATOM 317 C LEU A 21 -11.317 -0.158 -7.562 1.00 1.23 C ATOM 318 O LEU A 21 -11.821 0.964 -7.455 1.00 1.31 O ATOM 319 CB LEU A 21 -8.898 -0.625 -7.092 1.00 1.21 C ATOM 320 CG LEU A 21 -8.040 -1.885 -7.217 1.00 1.42 C ATOM 321 CD1 LEU A 21 -8.868 -3.166 -7.086 1.00 1.70 C ATOM 322 CD2 LEU A 21 -7.198 -1.927 -8.485 1.00 1.67 C ATOM 0 H LEU A 21 -9.861 1.724 -8.399 1.00 1.22 H new ATOM 0 HA LEU A 21 -9.959 -1.161 -8.908 1.00 1.19 H new ATOM 0 HB2 LEU A 21 -8.226 0.231 -7.029 1.00 1.21 H new ATOM 0 HB3 LEU A 21 -9.434 -0.680 -6.144 1.00 1.21 H new ATOM 0 HG LEU A 21 -7.347 -1.834 -6.377 1.00 1.42 H new ATOM 0 HD11 LEU A 21 -8.214 -4.033 -7.182 1.00 1.70 H new ATOM 0 HD12 LEU A 21 -9.356 -3.185 -6.112 1.00 1.70 H new ATOM 0 HD13 LEU A 21 -9.623 -3.193 -7.871 1.00 1.70 H new ATOM 0 HD21 LEU A 21 -6.616 -2.849 -8.505 1.00 1.67 H new ATOM 0 HD22 LEU A 21 -7.851 -1.891 -9.357 1.00 1.67 H new ATOM 0 HD23 LEU A 21 -6.523 -1.071 -8.502 1.00 1.67 H new ATOM 334 N GLU A 22 -11.879 -1.238 -7.017 1.00 1.07 N ATOM 335 CA GLU A 22 -13.166 -1.193 -6.320 1.00 0.91 C ATOM 336 C GLU A 22 -13.037 -1.283 -4.792 1.00 1.05 C ATOM 337 O GLU A 22 -12.054 -1.755 -4.219 1.00 1.18 O ATOM 338 CB GLU A 22 -14.159 -2.216 -6.888 1.00 0.88 C ATOM 339 CG GLU A 22 -14.675 -1.857 -8.289 1.00 1.72 C ATOM 340 CD GLU A 22 -13.667 -2.097 -9.428 1.00 2.85 C ATOM 341 OE1 GLU A 22 -13.511 -3.264 -9.865 1.00 3.57 O ATOM 342 OE2 GLU A 22 -13.039 -1.108 -9.853 1.00 3.73 O ATOM 0 H GLU A 22 -11.457 -2.166 -7.046 1.00 1.07 H new ATOM 0 HA GLU A 22 -13.579 -0.203 -6.515 1.00 0.91 H new ATOM 0 HB2 GLU A 22 -13.679 -3.194 -6.926 1.00 0.88 H new ATOM 0 HB3 GLU A 22 -15.007 -2.303 -6.209 1.00 0.88 H new ATOM 0 HG2 GLU A 22 -15.575 -2.439 -8.490 1.00 1.72 H new ATOM 0 HG3 GLU A 22 -14.967 -0.807 -8.296 1.00 1.72 H new ATOM 349 N GLY A 23 -14.067 -0.762 -4.121 1.00 0.82 N ATOM 350 CA GLY A 23 -14.146 -0.614 -2.666 1.00 0.64 C ATOM 351 C GLY A 23 -15.552 -0.891 -2.116 1.00 0.72 C ATOM 352 O GLY A 23 -16.501 -0.996 -2.899 1.00 0.92 O ATOM 0 H GLY A 23 -14.902 -0.418 -4.595 1.00 0.82 H new ATOM 0 HA2 GLY A 23 -13.436 -1.296 -2.197 1.00 0.64 H new ATOM 0 HA3 GLY A 23 -13.846 0.397 -2.391 1.00 0.64 H new ATOM 356 N PRO A 24 -15.712 -0.961 -0.777 1.00 0.55 N ATOM 357 CA PRO A 24 -17.000 -1.235 -0.137 1.00 0.76 C ATOM 358 C PRO A 24 -17.976 -0.045 -0.215 1.00 1.12 C ATOM 359 O PRO A 24 -19.180 -0.246 -0.089 1.00 1.41 O ATOM 360 CB PRO A 24 -16.652 -1.594 1.314 1.00 0.94 C ATOM 361 CG PRO A 24 -15.376 -0.796 1.584 1.00 0.84 C ATOM 362 CD PRO A 24 -14.666 -0.795 0.230 1.00 0.62 C ATOM 0 HA PRO A 24 -17.526 -2.042 -0.646 1.00 0.76 H new ATOM 0 HB2 PRO A 24 -17.452 -1.315 1.999 1.00 0.94 H new ATOM 0 HB3 PRO A 24 -16.488 -2.665 1.434 1.00 0.94 H new ATOM 0 HG2 PRO A 24 -15.599 0.216 1.922 1.00 0.84 H new ATOM 0 HG3 PRO A 24 -14.766 -1.263 2.357 1.00 0.84 H new ATOM 0 HD2 PRO A 24 -14.122 0.137 0.076 1.00 0.62 H new ATOM 0 HD3 PRO A 24 -13.937 -1.603 0.172 1.00 0.62 H new ATOM 370 N GLN A 25 -17.485 1.179 -0.449 1.00 1.00 N ATOM 371 CA GLN A 25 -18.304 2.384 -0.618 1.00 1.14 C ATOM 372 C GLN A 25 -18.334 2.862 -2.087 1.00 1.25 C ATOM 373 O GLN A 25 -18.660 4.017 -2.351 1.00 1.68 O ATOM 374 CB GLN A 25 -17.796 3.459 0.370 1.00 1.36 C ATOM 375 CG GLN A 25 -18.860 4.515 0.726 1.00 2.34 C ATOM 376 CD GLN A 25 -18.414 5.487 1.820 1.00 2.81 C ATOM 377 OE1 GLN A 25 -17.263 5.568 2.216 1.00 3.03 O ATOM 378 NE2 GLN A 25 -19.327 6.261 2.367 1.00 3.76 N ATOM 0 H GLN A 25 -16.485 1.362 -0.528 1.00 1.00 H new ATOM 0 HA GLN A 25 -19.345 2.164 -0.382 1.00 1.14 H new ATOM 0 HB2 GLN A 25 -17.459 2.971 1.285 1.00 1.36 H new ATOM 0 HB3 GLN A 25 -16.929 3.959 -0.063 1.00 1.36 H new ATOM 0 HG2 GLN A 25 -19.113 5.081 -0.171 1.00 2.34 H new ATOM 0 HG3 GLN A 25 -19.769 4.008 1.050 1.00 2.34 H new ATOM 0 HE21 GLN A 25 -20.295 6.209 2.051 1.00 3.76 H new ATOM 0 HE22 GLN A 25 -19.066 6.913 3.107 1.00 3.76 H new ATOM 387 N GLY A 26 -17.990 1.998 -3.056 1.00 0.84 N ATOM 388 CA GLY A 26 -17.935 2.325 -4.486 1.00 0.98 C ATOM 389 C GLY A 26 -16.524 2.229 -5.096 1.00 1.10 C ATOM 390 O GLY A 26 -15.577 1.841 -4.410 1.00 1.24 O ATOM 0 H GLY A 26 -17.737 1.030 -2.859 1.00 0.84 H new ATOM 0 HA2 GLY A 26 -18.601 1.653 -5.028 1.00 0.98 H new ATOM 0 HA3 GLY A 26 -18.315 3.336 -4.632 1.00 0.98 H new ATOM 394 N PRO A 27 -16.378 2.529 -6.402 1.00 1.10 N ATOM 395 CA PRO A 27 -15.106 2.480 -7.122 1.00 1.31 C ATOM 396 C PRO A 27 -14.195 3.653 -6.738 1.00 1.43 C ATOM 397 O PRO A 27 -14.664 4.760 -6.490 1.00 1.33 O ATOM 398 CB PRO A 27 -15.476 2.505 -8.609 1.00 1.42 C ATOM 399 CG PRO A 27 -16.792 3.286 -8.624 1.00 1.34 C ATOM 400 CD PRO A 27 -17.459 2.870 -7.313 1.00 1.14 C ATOM 0 HA PRO A 27 -14.537 1.585 -6.872 1.00 1.31 H new ATOM 0 HB2 PRO A 27 -14.709 2.996 -9.207 1.00 1.42 H new ATOM 0 HB3 PRO A 27 -15.599 1.499 -9.011 1.00 1.42 H new ATOM 0 HG2 PRO A 27 -16.622 4.362 -8.666 1.00 1.34 H new ATOM 0 HG3 PRO A 27 -17.404 3.027 -9.488 1.00 1.34 H new ATOM 0 HD2 PRO A 27 -18.067 3.680 -6.911 1.00 1.14 H new ATOM 0 HD3 PRO A 27 -18.123 2.019 -7.466 1.00 1.14 H new ATOM 408 N VAL A 28 -12.883 3.415 -6.718 1.00 1.23 N ATOM 409 CA VAL A 28 -11.848 4.284 -6.128 1.00 1.26 C ATOM 410 C VAL A 28 -10.731 4.526 -7.141 1.00 1.41 C ATOM 411 O VAL A 28 -10.370 3.614 -7.883 1.00 1.41 O ATOM 412 CB VAL A 28 -11.259 3.607 -4.864 1.00 1.52 C ATOM 413 CG1 VAL A 28 -9.945 4.231 -4.355 1.00 1.84 C ATOM 414 CG2 VAL A 28 -12.283 3.638 -3.714 1.00 1.80 C ATOM 0 H VAL A 28 -12.487 2.571 -7.132 1.00 1.23 H new ATOM 0 HA VAL A 28 -12.298 5.238 -5.855 1.00 1.26 H new ATOM 0 HB VAL A 28 -11.031 2.587 -5.174 1.00 1.52 H new ATOM 0 HG11 VAL A 28 -9.607 3.694 -3.469 1.00 1.84 H new ATOM 0 HG12 VAL A 28 -9.185 4.163 -5.133 1.00 1.84 H new ATOM 0 HG13 VAL A 28 -10.113 5.278 -4.103 1.00 1.84 H new ATOM 0 HG21 VAL A 28 -11.855 3.159 -2.833 1.00 1.80 H new ATOM 0 HG22 VAL A 28 -12.535 4.672 -3.479 1.00 1.80 H new ATOM 0 HG23 VAL A 28 -13.185 3.105 -4.015 1.00 1.80 H new ATOM 424 N ARG A 29 -10.160 5.736 -7.139 1.00 1.14 N ATOM 425 CA ARG A 29 -8.896 6.030 -7.825 1.00 1.09 C ATOM 426 C ARG A 29 -7.901 6.696 -6.867 1.00 1.34 C ATOM 427 O ARG A 29 -8.289 7.093 -5.768 1.00 1.62 O ATOM 428 CB ARG A 29 -9.134 6.923 -9.060 1.00 1.28 C ATOM 429 CG ARG A 29 -9.974 6.295 -10.190 1.00 1.47 C ATOM 430 CD ARG A 29 -11.301 7.015 -10.465 1.00 1.92 C ATOM 431 NE ARG A 29 -12.305 6.756 -9.415 1.00 3.55 N ATOM 432 CZ ARG A 29 -12.547 7.511 -8.349 1.00 4.80 C ATOM 433 NH1 ARG A 29 -11.989 8.687 -8.165 1.00 4.84 N ATOM 434 NH2 ARG A 29 -13.333 7.073 -7.393 1.00 6.78 N ATOM 0 H ARG A 29 -10.563 6.542 -6.660 1.00 1.14 H new ATOM 0 HA ARG A 29 -8.470 5.085 -8.164 1.00 1.09 H new ATOM 0 HB2 ARG A 29 -9.626 7.839 -8.733 1.00 1.28 H new ATOM 0 HB3 ARG A 29 -8.165 7.210 -9.469 1.00 1.28 H new ATOM 0 HG2 ARG A 29 -9.382 6.287 -11.105 1.00 1.47 H new ATOM 0 HG3 ARG A 29 -10.184 5.256 -9.937 1.00 1.47 H new ATOM 0 HD2 ARG A 29 -11.122 8.088 -10.537 1.00 1.92 H new ATOM 0 HD3 ARG A 29 -11.694 6.692 -11.429 1.00 1.92 H new ATOM 0 HE ARG A 29 -12.870 5.913 -9.518 1.00 3.55 H new ATOM 0 HH11 ARG A 29 -11.338 9.057 -8.858 1.00 4.84 H new ATOM 0 HH12 ARG A 29 -12.207 9.230 -7.329 1.00 4.84 H new ATOM 0 HH21 ARG A 29 -13.760 6.150 -7.467 1.00 6.78 H new ATOM 0 HH22 ARG A 29 -13.516 7.656 -6.576 1.00 6.78 H new ATOM 448 N LEU A 30 -6.645 6.877 -7.283 1.00 0.75 N ATOM 449 CA LEU A 30 -5.659 7.718 -6.580 1.00 0.72 C ATOM 450 C LEU A 30 -5.911 9.213 -6.844 1.00 1.23 C ATOM 451 O LEU A 30 -5.735 10.029 -5.940 1.00 1.42 O ATOM 452 CB LEU A 30 -4.256 7.233 -6.991 1.00 0.66 C ATOM 453 CG LEU A 30 -3.044 8.080 -6.564 1.00 1.16 C ATOM 454 CD1 LEU A 30 -2.930 8.211 -5.039 1.00 1.96 C ATOM 455 CD2 LEU A 30 -1.779 7.400 -7.104 1.00 1.95 C ATOM 0 H LEU A 30 -6.275 6.441 -8.127 1.00 0.75 H new ATOM 0 HA LEU A 30 -5.752 7.616 -5.499 1.00 0.72 H new ATOM 0 HB2 LEU A 30 -4.119 6.229 -6.590 1.00 0.66 H new ATOM 0 HB3 LEU A 30 -4.237 7.148 -8.077 1.00 0.66 H new ATOM 0 HG LEU A 30 -3.167 9.085 -6.967 1.00 1.16 H new ATOM 0 HD11 LEU A 30 -2.059 8.818 -4.790 1.00 1.96 H new ATOM 0 HD12 LEU A 30 -3.828 8.688 -4.647 1.00 1.96 H new ATOM 0 HD13 LEU A 30 -2.821 7.221 -4.596 1.00 1.96 H new ATOM 0 HD21 LEU A 30 -0.903 7.980 -6.816 1.00 1.95 H new ATOM 0 HD22 LEU A 30 -1.701 6.395 -6.690 1.00 1.95 H new ATOM 0 HD23 LEU A 30 -1.833 7.341 -8.191 1.00 1.95 H new ATOM 467 N SER A 31 -6.443 9.555 -8.018 1.00 1.09 N ATOM 468 CA SER A 31 -6.938 10.881 -8.447 1.00 1.46 C ATOM 469 C SER A 31 -8.137 11.432 -7.638 1.00 1.80 C ATOM 470 O SER A 31 -8.938 12.221 -8.137 1.00 2.81 O ATOM 471 CB SER A 31 -7.255 10.835 -9.953 1.00 1.68 C ATOM 472 OG SER A 31 -8.102 9.745 -10.299 1.00 2.06 O ATOM 0 H SER A 31 -6.551 8.863 -8.759 1.00 1.09 H new ATOM 0 HA SER A 31 -6.136 11.590 -8.242 1.00 1.46 H new ATOM 0 HB2 SER A 31 -7.732 11.769 -10.249 1.00 1.68 H new ATOM 0 HB3 SER A 31 -6.324 10.760 -10.515 1.00 1.68 H new ATOM 0 HG SER A 31 -7.736 9.282 -11.081 1.00 2.06 H new ATOM 478 N GLN A 32 -8.289 11.034 -6.372 1.00 1.11 N ATOM 479 CA GLN A 32 -9.245 11.589 -5.423 1.00 1.37 C ATOM 480 C GLN A 32 -8.597 11.999 -4.085 1.00 1.60 C ATOM 481 O GLN A 32 -9.315 12.387 -3.168 1.00 1.79 O ATOM 482 CB GLN A 32 -10.381 10.569 -5.256 1.00 1.63 C ATOM 483 CG GLN A 32 -10.077 9.429 -4.271 1.00 1.47 C ATOM 484 CD GLN A 32 -11.109 8.301 -4.325 1.00 2.78 C ATOM 485 OE1 GLN A 32 -11.851 8.118 -5.284 1.00 3.34 O ATOM 486 NE2 GLN A 32 -11.229 7.509 -3.282 1.00 3.94 N ATOM 0 H GLN A 32 -7.725 10.286 -5.969 1.00 1.11 H new ATOM 0 HA GLN A 32 -9.649 12.523 -5.813 1.00 1.37 H new ATOM 0 HB2 GLN A 32 -11.276 11.093 -4.920 1.00 1.63 H new ATOM 0 HB3 GLN A 32 -10.611 10.138 -6.230 1.00 1.63 H new ATOM 0 HG2 GLN A 32 -9.090 9.022 -4.489 1.00 1.47 H new ATOM 0 HG3 GLN A 32 -10.039 9.831 -3.259 1.00 1.47 H new ATOM 0 HE21 GLN A 32 -10.625 7.639 -2.471 1.00 3.94 H new ATOM 0 HE22 GLN A 32 -11.927 6.765 -3.284 1.00 3.94 H new ATOM 495 N PHE A 33 -7.262 11.902 -3.956 1.00 1.25 N ATOM 496 CA PHE A 33 -6.497 12.215 -2.737 1.00 1.40 C ATOM 497 C PHE A 33 -4.969 12.303 -2.974 1.00 2.01 C ATOM 498 O PHE A 33 -4.181 11.936 -2.101 1.00 2.41 O ATOM 499 CB PHE A 33 -6.898 11.256 -1.583 1.00 1.99 C ATOM 500 CG PHE A 33 -6.961 9.756 -1.871 1.00 1.22 C ATOM 501 CD1 PHE A 33 -5.902 9.087 -2.522 1.00 2.53 C ATOM 502 CD2 PHE A 33 -8.068 9.006 -1.424 1.00 1.84 C ATOM 503 CE1 PHE A 33 -5.959 7.694 -2.728 1.00 3.20 C ATOM 504 CE2 PHE A 33 -8.126 7.615 -1.634 1.00 1.79 C ATOM 505 CZ PHE A 33 -7.075 6.960 -2.292 1.00 2.48 C ATOM 0 H PHE A 33 -6.666 11.593 -4.724 1.00 1.25 H new ATOM 0 HA PHE A 33 -6.770 13.224 -2.427 1.00 1.40 H new ATOM 0 HB2 PHE A 33 -6.193 11.407 -0.766 1.00 1.99 H new ATOM 0 HB3 PHE A 33 -7.878 11.565 -1.220 1.00 1.99 H new ATOM 0 HD1 PHE A 33 -5.043 9.646 -2.864 1.00 2.53 H new ATOM 0 HD2 PHE A 33 -8.880 9.504 -0.915 1.00 1.84 H new ATOM 0 HE1 PHE A 33 -5.142 7.189 -3.223 1.00 3.20 H new ATOM 0 HE2 PHE A 33 -8.980 7.052 -1.288 1.00 1.79 H new ATOM 0 HZ PHE A 33 -7.123 5.895 -2.463 1.00 2.48 H new ATOM 515 N GLN A 34 -4.531 12.742 -4.164 1.00 0.97 N ATOM 516 CA GLN A 34 -3.141 12.609 -4.623 1.00 1.41 C ATOM 517 C GLN A 34 -2.160 13.626 -4.002 1.00 1.69 C ATOM 518 O GLN A 34 -0.961 13.359 -3.902 1.00 2.42 O ATOM 519 CB GLN A 34 -3.130 12.652 -6.161 1.00 1.82 C ATOM 520 CG GLN A 34 -3.325 14.047 -6.785 1.00 1.57 C ATOM 521 CD GLN A 34 -3.353 13.975 -8.312 1.00 2.01 C ATOM 522 OE1 GLN A 34 -4.322 13.535 -8.912 1.00 2.33 O ATOM 523 NE2 GLN A 34 -2.305 14.362 -9.005 1.00 2.95 N ATOM 0 H GLN A 34 -5.138 13.204 -4.841 1.00 0.97 H new ATOM 0 HA GLN A 34 -2.766 11.648 -4.271 1.00 1.41 H new ATOM 0 HB2 GLN A 34 -2.182 12.245 -6.512 1.00 1.82 H new ATOM 0 HB3 GLN A 34 -3.916 11.994 -6.532 1.00 1.82 H new ATOM 0 HG2 GLN A 34 -4.256 14.483 -6.422 1.00 1.57 H new ATOM 0 HG3 GLN A 34 -2.518 14.707 -6.465 1.00 1.57 H new ATOM 0 HE21 GLN A 34 -1.485 14.733 -8.525 1.00 2.95 H new ATOM 0 HE22 GLN A 34 -2.312 14.292 -10.023 1.00 2.95 H new ATOM 532 N ASP A 35 -2.684 14.768 -3.556 1.00 1.42 N ATOM 533 CA ASP A 35 -2.027 15.859 -2.826 1.00 1.64 C ATOM 534 C ASP A 35 -1.379 15.399 -1.508 1.00 1.59 C ATOM 535 O ASP A 35 -0.381 15.957 -1.041 1.00 2.02 O ATOM 536 CB ASP A 35 -3.116 16.895 -2.459 1.00 1.84 C ATOM 537 CG ASP A 35 -4.094 17.237 -3.593 1.00 3.47 C ATOM 538 OD1 ASP A 35 -4.930 16.357 -3.922 1.00 4.66 O ATOM 539 OD2 ASP A 35 -4.005 18.374 -4.098 1.00 4.49 O ATOM 0 H ASP A 35 -3.671 14.974 -3.710 1.00 1.42 H new ATOM 0 HA ASP A 35 -1.242 16.260 -3.467 1.00 1.64 H new ATOM 0 HB2 ASP A 35 -3.685 16.516 -1.610 1.00 1.84 H new ATOM 0 HB3 ASP A 35 -2.628 17.813 -2.131 1.00 1.84 H new ATOM 544 N LYS A 36 -2.003 14.390 -0.887 1.00 0.95 N ATOM 545 CA LYS A 36 -1.675 13.885 0.447 1.00 0.94 C ATOM 546 C LYS A 36 -0.444 12.953 0.416 1.00 1.12 C ATOM 547 O LYS A 36 0.290 12.911 -0.571 1.00 1.32 O ATOM 548 CB LYS A 36 -2.938 13.245 1.047 1.00 1.10 C ATOM 549 CG LYS A 36 -4.067 14.292 1.110 1.00 1.52 C ATOM 550 CD LYS A 36 -4.778 14.367 2.460 1.00 1.53 C ATOM 551 CE LYS A 36 -5.746 13.198 2.709 1.00 2.33 C ATOM 552 NZ LYS A 36 -5.043 12.003 3.229 1.00 4.13 N ATOM 0 H LYS A 36 -2.778 13.886 -1.318 1.00 0.95 H new ATOM 0 HA LYS A 36 -1.374 14.702 1.103 1.00 0.94 H new ATOM 0 HB2 LYS A 36 -3.250 12.395 0.441 1.00 1.10 H new ATOM 0 HB3 LYS A 36 -2.726 12.864 2.046 1.00 1.10 H new ATOM 0 HG2 LYS A 36 -3.652 15.272 0.876 1.00 1.52 H new ATOM 0 HG3 LYS A 36 -4.802 14.065 0.337 1.00 1.52 H new ATOM 0 HD2 LYS A 36 -4.032 14.386 3.254 1.00 1.53 H new ATOM 0 HD3 LYS A 36 -5.330 15.305 2.519 1.00 1.53 H new ATOM 0 HE2 LYS A 36 -6.513 13.506 3.419 1.00 2.33 H new ATOM 0 HE3 LYS A 36 -6.256 12.944 1.780 1.00 2.33 H new ATOM 0 HZ1 LYS A 36 -5.731 11.242 3.400 1.00 4.13 H new ATOM 0 HZ2 LYS A 36 -4.340 11.683 2.533 1.00 4.13 H new ATOM 0 HZ3 LYS A 36 -4.563 12.243 4.120 1.00 4.13 H new ATOM 566 N VAL A 37 -0.186 12.192 1.477 1.00 0.77 N ATOM 567 CA VAL A 37 0.957 11.275 1.575 1.00 0.74 C ATOM 568 C VAL A 37 0.384 9.865 1.614 1.00 1.11 C ATOM 569 O VAL A 37 -0.132 9.409 2.633 1.00 1.43 O ATOM 570 CB VAL A 37 1.852 11.592 2.792 1.00 0.83 C ATOM 571 CG1 VAL A 37 3.149 10.778 2.726 1.00 0.99 C ATOM 572 CG2 VAL A 37 2.201 13.084 2.839 1.00 1.18 C ATOM 0 H VAL A 37 -0.774 12.192 2.311 1.00 0.77 H new ATOM 0 HA VAL A 37 1.618 11.386 0.715 1.00 0.74 H new ATOM 0 HB VAL A 37 1.297 11.326 3.692 1.00 0.83 H new ATOM 0 HG11 VAL A 37 3.770 11.012 3.591 1.00 0.99 H new ATOM 0 HG12 VAL A 37 2.911 9.714 2.727 1.00 0.99 H new ATOM 0 HG13 VAL A 37 3.689 11.028 1.813 1.00 0.99 H new ATOM 0 HG21 VAL A 37 2.832 13.283 3.705 1.00 1.18 H new ATOM 0 HG22 VAL A 37 2.734 13.362 1.930 1.00 1.18 H new ATOM 0 HG23 VAL A 37 1.285 13.670 2.916 1.00 1.18 H new ATOM 582 N VAL A 38 0.385 9.227 0.448 1.00 0.65 N ATOM 583 CA VAL A 38 -0.308 7.958 0.210 1.00 0.71 C ATOM 584 C VAL A 38 0.716 6.836 0.125 1.00 0.97 C ATOM 585 O VAL A 38 1.622 6.870 -0.715 1.00 0.93 O ATOM 586 CB VAL A 38 -1.188 8.024 -1.057 1.00 0.87 C ATOM 587 CG1 VAL A 38 -1.867 6.674 -1.349 1.00 1.12 C ATOM 588 CG2 VAL A 38 -2.276 9.103 -0.889 1.00 1.13 C ATOM 0 H VAL A 38 0.875 9.580 -0.374 1.00 0.65 H new ATOM 0 HA VAL A 38 -0.981 7.758 1.044 1.00 0.71 H new ATOM 0 HB VAL A 38 -0.535 8.273 -1.894 1.00 0.87 H new ATOM 0 HG11 VAL A 38 -2.477 6.761 -2.248 1.00 1.12 H new ATOM 0 HG12 VAL A 38 -1.106 5.909 -1.500 1.00 1.12 H new ATOM 0 HG13 VAL A 38 -2.500 6.395 -0.506 1.00 1.12 H new ATOM 0 HG21 VAL A 38 -2.892 9.142 -1.788 1.00 1.13 H new ATOM 0 HG22 VAL A 38 -2.902 8.858 -0.031 1.00 1.13 H new ATOM 0 HG23 VAL A 38 -1.805 10.073 -0.729 1.00 1.13 H new ATOM 598 N LEU A 39 0.555 5.841 1.000 1.00 0.70 N ATOM 599 CA LEU A 39 1.301 4.586 0.969 1.00 0.74 C ATOM 600 C LEU A 39 0.377 3.508 0.393 1.00 1.14 C ATOM 601 O LEU A 39 -0.662 3.191 0.976 1.00 1.17 O ATOM 602 CB LEU A 39 1.806 4.238 2.383 1.00 0.88 C ATOM 603 CG LEU A 39 3.079 5.005 2.804 1.00 1.19 C ATOM 604 CD1 LEU A 39 2.869 6.511 3.039 1.00 2.55 C ATOM 605 CD2 LEU A 39 3.644 4.369 4.076 1.00 1.40 C ATOM 0 H LEU A 39 -0.115 5.889 1.768 1.00 0.70 H new ATOM 0 HA LEU A 39 2.185 4.665 0.336 1.00 0.74 H new ATOM 0 HB2 LEU A 39 1.014 4.448 3.102 1.00 0.88 H new ATOM 0 HB3 LEU A 39 2.006 3.168 2.433 1.00 0.88 H new ATOM 0 HG LEU A 39 3.774 4.927 1.968 1.00 1.19 H new ATOM 0 HD11 LEU A 39 3.814 6.969 3.331 1.00 2.55 H new ATOM 0 HD12 LEU A 39 2.509 6.976 2.121 1.00 2.55 H new ATOM 0 HD13 LEU A 39 2.135 6.657 3.832 1.00 2.55 H new ATOM 0 HD21 LEU A 39 4.543 4.904 4.382 1.00 1.40 H new ATOM 0 HD22 LEU A 39 2.901 4.425 4.872 1.00 1.40 H new ATOM 0 HD23 LEU A 39 3.891 3.325 3.882 1.00 1.40 H new ATOM 617 N LEU A 40 0.748 2.970 -0.772 1.00 0.67 N ATOM 618 CA LEU A 40 -0.028 1.996 -1.542 1.00 0.71 C ATOM 619 C LEU A 40 0.682 0.637 -1.509 1.00 1.07 C ATOM 620 O LEU A 40 1.815 0.528 -1.970 1.00 1.37 O ATOM 621 CB LEU A 40 -0.170 2.568 -2.971 1.00 0.90 C ATOM 622 CG LEU A 40 -1.224 1.927 -3.890 1.00 0.97 C ATOM 623 CD1 LEU A 40 -0.842 0.520 -4.357 1.00 2.33 C ATOM 624 CD2 LEU A 40 -2.632 1.956 -3.290 1.00 2.03 C ATOM 0 H LEU A 40 1.631 3.211 -1.221 1.00 0.67 H new ATOM 0 HA LEU A 40 -1.022 1.831 -1.126 1.00 0.71 H new ATOM 0 HB2 LEU A 40 -0.398 3.631 -2.887 1.00 0.90 H new ATOM 0 HB3 LEU A 40 0.799 2.488 -3.463 1.00 0.90 H new ATOM 0 HG LEU A 40 -1.243 2.556 -4.780 1.00 0.97 H new ATOM 0 HD11 LEU A 40 -1.627 0.125 -5.001 1.00 2.33 H new ATOM 0 HD12 LEU A 40 0.095 0.563 -4.912 1.00 2.33 H new ATOM 0 HD13 LEU A 40 -0.722 -0.131 -3.491 1.00 2.33 H new ATOM 0 HD21 LEU A 40 -3.333 1.490 -3.983 1.00 2.03 H new ATOM 0 HD22 LEU A 40 -2.637 1.409 -2.347 1.00 2.03 H new ATOM 0 HD23 LEU A 40 -2.931 2.989 -3.112 1.00 2.03 H new ATOM 636 N PHE A 41 0.034 -0.394 -0.961 1.00 0.70 N ATOM 637 CA PHE A 41 0.633 -1.706 -0.685 1.00 0.70 C ATOM 638 C PHE A 41 -0.136 -2.813 -1.410 1.00 1.52 C ATOM 639 O PHE A 41 -1.366 -2.858 -1.336 1.00 1.81 O ATOM 640 CB PHE A 41 0.625 -1.943 0.837 1.00 0.71 C ATOM 641 CG PHE A 41 0.905 -3.371 1.285 1.00 0.81 C ATOM 642 CD1 PHE A 41 2.120 -4.011 0.960 1.00 1.98 C ATOM 643 CD2 PHE A 41 -0.063 -4.074 2.031 1.00 2.11 C ATOM 644 CE1 PHE A 41 2.365 -5.326 1.393 1.00 1.77 C ATOM 645 CE2 PHE A 41 0.184 -5.388 2.466 1.00 2.35 C ATOM 646 CZ PHE A 41 1.401 -6.015 2.151 1.00 1.18 C ATOM 0 H PHE A 41 -0.948 -0.340 -0.689 1.00 0.70 H new ATOM 0 HA PHE A 41 1.660 -1.724 -1.051 1.00 0.70 H new ATOM 0 HB2 PHE A 41 1.367 -1.287 1.292 1.00 0.71 H new ATOM 0 HB3 PHE A 41 -0.348 -1.643 1.228 1.00 0.71 H new ATOM 0 HD1 PHE A 41 2.864 -3.489 0.377 1.00 1.98 H new ATOM 0 HD2 PHE A 41 -1.003 -3.599 2.271 1.00 2.11 H new ATOM 0 HE1 PHE A 41 3.298 -5.809 1.142 1.00 1.77 H new ATOM 0 HE2 PHE A 41 -0.562 -5.915 3.042 1.00 2.35 H new ATOM 0 HZ PHE A 41 1.596 -7.022 2.489 1.00 1.18 H new ATOM 656 N PHE A 42 0.590 -3.729 -2.060 1.00 0.66 N ATOM 657 CA PHE A 42 -0.005 -4.900 -2.705 1.00 0.60 C ATOM 658 C PHE A 42 0.132 -6.134 -1.808 1.00 1.79 C ATOM 659 O PHE A 42 1.227 -6.669 -1.610 1.00 2.19 O ATOM 660 CB PHE A 42 0.618 -5.124 -4.087 1.00 0.63 C ATOM 661 CG PHE A 42 0.116 -4.147 -5.129 1.00 0.76 C ATOM 662 CD1 PHE A 42 0.706 -2.877 -5.254 1.00 1.78 C ATOM 663 CD2 PHE A 42 -0.950 -4.505 -5.978 1.00 2.07 C ATOM 664 CE1 PHE A 42 0.272 -2.000 -6.261 1.00 1.76 C ATOM 665 CE2 PHE A 42 -1.401 -3.619 -6.969 1.00 2.14 C ATOM 666 CZ PHE A 42 -0.784 -2.367 -7.113 1.00 1.16 C ATOM 0 H PHE A 42 1.605 -3.678 -2.153 1.00 0.66 H new ATOM 0 HA PHE A 42 -1.070 -4.721 -2.852 1.00 0.60 H new ATOM 0 HB2 PHE A 42 1.702 -5.038 -4.009 1.00 0.63 H new ATOM 0 HB3 PHE A 42 0.402 -6.140 -4.416 1.00 0.63 H new ATOM 0 HD1 PHE A 42 1.492 -2.576 -4.577 1.00 1.78 H new ATOM 0 HD2 PHE A 42 -1.424 -5.469 -5.865 1.00 2.07 H new ATOM 0 HE1 PHE A 42 0.751 -1.040 -6.381 1.00 1.76 H new ATOM 0 HE2 PHE A 42 -2.218 -3.899 -7.617 1.00 2.14 H new ATOM 0 HZ PHE A 42 -1.121 -1.685 -7.879 1.00 1.16 H new ATOM 676 N GLY A 43 -1.007 -6.581 -1.272 1.00 0.75 N ATOM 677 CA GLY A 43 -1.149 -7.648 -0.285 1.00 1.02 C ATOM 678 C GLY A 43 -2.386 -8.504 -0.540 1.00 1.10 C ATOM 679 O GLY A 43 -3.125 -8.281 -1.496 1.00 0.99 O ATOM 0 H GLY A 43 -1.908 -6.181 -1.534 1.00 0.75 H new ATOM 0 HA2 GLY A 43 -0.261 -8.280 -0.304 1.00 1.02 H new ATOM 0 HA3 GLY A 43 -1.209 -7.213 0.713 1.00 1.02 H new ATOM 683 N PHE A 44 -2.623 -9.460 0.354 1.00 1.37 N ATOM 684 CA PHE A 44 -3.867 -10.216 0.428 1.00 1.46 C ATOM 685 C PHE A 44 -4.111 -10.698 1.856 1.00 2.11 C ATOM 686 O PHE A 44 -3.159 -10.976 2.591 1.00 2.81 O ATOM 687 CB PHE A 44 -3.903 -11.341 -0.617 1.00 1.44 C ATOM 688 CG PHE A 44 -2.779 -12.371 -0.713 1.00 1.84 C ATOM 689 CD1 PHE A 44 -1.495 -12.008 -1.167 1.00 3.78 C ATOM 690 CD2 PHE A 44 -3.070 -13.736 -0.519 1.00 2.23 C ATOM 691 CE1 PHE A 44 -0.503 -12.985 -1.375 1.00 4.80 C ATOM 692 CE2 PHE A 44 -2.082 -14.715 -0.739 1.00 3.29 C ATOM 693 CZ PHE A 44 -0.796 -14.342 -1.161 1.00 4.38 C ATOM 0 H PHE A 44 -1.941 -9.735 1.061 1.00 1.37 H new ATOM 0 HA PHE A 44 -4.699 -9.559 0.175 1.00 1.46 H new ATOM 0 HB2 PHE A 44 -4.828 -11.894 -0.456 1.00 1.44 H new ATOM 0 HB3 PHE A 44 -3.982 -10.865 -1.594 1.00 1.44 H new ATOM 0 HD1 PHE A 44 -1.270 -10.969 -1.357 1.00 3.78 H new ATOM 0 HD2 PHE A 44 -4.058 -14.033 -0.199 1.00 2.23 H new ATOM 0 HE1 PHE A 44 0.484 -12.691 -1.699 1.00 4.80 H new ATOM 0 HE2 PHE A 44 -2.315 -15.758 -0.582 1.00 3.29 H new ATOM 0 HZ PHE A 44 -0.037 -15.094 -1.320 1.00 4.38 H new ATOM 703 N THR A 45 -5.372 -10.773 2.293 1.00 1.23 N ATOM 704 CA THR A 45 -5.709 -11.148 3.679 1.00 1.29 C ATOM 705 C THR A 45 -5.195 -12.543 4.025 1.00 1.53 C ATOM 706 O THR A 45 -4.738 -12.761 5.149 1.00 2.28 O ATOM 707 CB THR A 45 -7.212 -11.017 3.946 1.00 1.42 C ATOM 708 OG1 THR A 45 -7.927 -11.744 2.981 1.00 1.87 O ATOM 709 CG2 THR A 45 -7.656 -9.551 3.941 1.00 1.26 C ATOM 0 H THR A 45 -6.184 -10.579 1.707 1.00 1.23 H new ATOM 0 HA THR A 45 -5.200 -10.445 4.339 1.00 1.29 H new ATOM 0 HB THR A 45 -7.420 -11.422 4.936 1.00 1.42 H new ATOM 0 HG1 THR A 45 -8.605 -11.166 2.572 1.00 1.87 H new ATOM 0 HG21 THR A 45 -8.727 -9.495 4.133 1.00 1.26 H new ATOM 0 HG22 THR A 45 -7.119 -9.005 4.717 1.00 1.26 H new ATOM 0 HG23 THR A 45 -7.438 -9.108 2.969 1.00 1.26 H new ATOM 717 N ARG A 46 -5.145 -13.453 3.044 1.00 1.32 N ATOM 718 CA ARG A 46 -4.515 -14.780 3.142 1.00 1.60 C ATOM 719 C ARG A 46 -3.053 -14.810 2.638 1.00 1.87 C ATOM 720 O ARG A 46 -2.606 -15.831 2.111 1.00 2.81 O ATOM 721 CB ARG A 46 -5.428 -15.835 2.478 1.00 1.91 C ATOM 722 CG ARG A 46 -5.578 -17.143 3.287 1.00 2.48 C ATOM 723 CD ARG A 46 -4.364 -18.086 3.317 1.00 3.47 C ATOM 724 NE ARG A 46 -3.253 -17.592 4.156 1.00 4.43 N ATOM 725 CZ ARG A 46 -3.029 -17.802 5.446 1.00 5.56 C ATOM 726 NH1 ARG A 46 -3.852 -18.514 6.190 1.00 5.98 N ATOM 727 NH2 ARG A 46 -1.950 -17.287 5.992 1.00 7.03 N ATOM 0 H ARG A 46 -5.556 -13.281 2.127 1.00 1.32 H new ATOM 0 HA ARG A 46 -4.421 -15.036 4.197 1.00 1.60 H new ATOM 0 HB2 ARG A 46 -6.416 -15.400 2.326 1.00 1.91 H new ATOM 0 HB3 ARG A 46 -5.030 -16.075 1.492 1.00 1.91 H new ATOM 0 HG2 ARG A 46 -5.828 -16.879 4.315 1.00 2.48 H new ATOM 0 HG3 ARG A 46 -6.427 -17.696 2.884 1.00 2.48 H new ATOM 0 HD2 ARG A 46 -4.681 -19.061 3.686 1.00 3.47 H new ATOM 0 HD3 ARG A 46 -4.003 -18.232 2.299 1.00 3.47 H new ATOM 0 HE ARG A 46 -2.565 -17.010 3.678 1.00 4.43 H new ATOM 0 HH11 ARG A 46 -4.690 -18.922 5.776 1.00 5.98 H new ATOM 0 HH12 ARG A 46 -3.651 -18.657 7.180 1.00 5.98 H new ATOM 0 HH21 ARG A 46 -1.304 -16.738 5.425 1.00 7.03 H new ATOM 0 HH22 ARG A 46 -1.759 -17.436 6.983 1.00 7.03 H new ATOM 741 N CYS A 47 -2.272 -13.739 2.837 1.00 1.41 N ATOM 742 CA CYS A 47 -0.808 -13.722 2.634 1.00 1.77 C ATOM 743 C CYS A 47 -0.062 -14.889 3.337 1.00 2.00 C ATOM 744 O CYS A 47 -0.656 -15.576 4.180 1.00 2.39 O ATOM 745 CB CYS A 47 -0.258 -12.357 3.099 1.00 2.16 C ATOM 746 SG CYS A 47 0.041 -11.296 1.655 1.00 3.64 S ATOM 0 H CYS A 47 -2.642 -12.841 3.149 1.00 1.41 H new ATOM 0 HA CYS A 47 -0.624 -13.867 1.569 1.00 1.77 H new ATOM 0 HB2 CYS A 47 -0.968 -11.878 3.774 1.00 2.16 H new ATOM 0 HB3 CYS A 47 0.667 -12.498 3.657 1.00 2.16 H new ATOM 0 HG CYS A 47 -0.416 -11.878 0.587 1.00 3.64 H new ATOM 752 N PRO A 48 1.232 -15.124 3.021 1.00 2.22 N ATOM 753 CA PRO A 48 2.061 -16.091 3.741 1.00 2.70 C ATOM 754 C PRO A 48 2.245 -15.652 5.198 1.00 2.42 C ATOM 755 O PRO A 48 1.771 -16.345 6.092 1.00 2.74 O ATOM 756 CB PRO A 48 3.375 -16.193 2.955 1.00 3.31 C ATOM 757 CG PRO A 48 3.462 -14.869 2.197 1.00 3.10 C ATOM 758 CD PRO A 48 1.999 -14.509 1.941 1.00 2.55 C ATOM 0 HA PRO A 48 1.602 -17.078 3.801 1.00 2.70 H new ATOM 0 HB2 PRO A 48 4.228 -16.328 3.620 1.00 3.31 H new ATOM 0 HB3 PRO A 48 3.366 -17.043 2.272 1.00 3.31 H new ATOM 0 HG2 PRO A 48 3.967 -14.102 2.784 1.00 3.10 H new ATOM 0 HG3 PRO A 48 4.018 -14.975 1.266 1.00 3.10 H new ATOM 0 HD2 PRO A 48 1.860 -13.428 1.932 1.00 2.55 H new ATOM 0 HD3 PRO A 48 1.671 -14.881 0.970 1.00 2.55 H new ATOM 766 N ASP A 49 2.835 -14.469 5.429 1.00 1.96 N ATOM 767 CA ASP A 49 2.746 -13.737 6.699 1.00 1.68 C ATOM 768 C ASP A 49 2.405 -12.288 6.351 1.00 1.80 C ATOM 769 O ASP A 49 1.257 -11.896 6.491 1.00 2.62 O ATOM 770 CB ASP A 49 4.065 -13.853 7.488 1.00 1.67 C ATOM 771 CG ASP A 49 4.172 -12.768 8.569 1.00 2.49 C ATOM 772 OD1 ASP A 49 3.421 -12.844 9.564 1.00 3.05 O ATOM 773 OD2 ASP A 49 4.942 -11.813 8.321 1.00 3.62 O ATOM 0 H ASP A 49 3.396 -13.988 4.726 1.00 1.96 H new ATOM 0 HA ASP A 49 1.974 -14.154 7.346 1.00 1.68 H new ATOM 0 HB2 ASP A 49 4.127 -14.837 7.952 1.00 1.67 H new ATOM 0 HB3 ASP A 49 4.909 -13.770 6.803 1.00 1.67 H new ATOM 778 N VAL A 50 3.361 -11.611 5.715 1.00 1.26 N ATOM 779 CA VAL A 50 3.630 -10.174 5.541 1.00 1.06 C ATOM 780 C VAL A 50 2.534 -9.091 5.698 1.00 1.16 C ATOM 781 O VAL A 50 2.895 -7.950 5.965 1.00 1.40 O ATOM 782 CB VAL A 50 4.332 -10.029 4.172 1.00 1.36 C ATOM 783 CG1 VAL A 50 3.361 -10.129 2.980 1.00 1.66 C ATOM 784 CG2 VAL A 50 5.193 -8.771 4.074 1.00 2.13 C ATOM 0 H VAL A 50 4.083 -12.144 5.230 1.00 1.26 H new ATOM 0 HA VAL A 50 4.212 -9.930 6.430 1.00 1.06 H new ATOM 0 HB VAL A 50 5.003 -10.886 4.110 1.00 1.36 H new ATOM 0 HG11 VAL A 50 3.916 -10.019 2.048 1.00 1.66 H new ATOM 0 HG12 VAL A 50 2.865 -11.100 2.995 1.00 1.66 H new ATOM 0 HG13 VAL A 50 2.614 -9.339 3.052 1.00 1.66 H new ATOM 0 HG21 VAL A 50 5.660 -8.725 3.090 1.00 2.13 H new ATOM 0 HG22 VAL A 50 4.568 -7.890 4.221 1.00 2.13 H new ATOM 0 HG23 VAL A 50 5.967 -8.799 4.841 1.00 2.13 H new ATOM 794 N CYS A 51 1.229 -9.365 5.584 1.00 1.15 N ATOM 795 CA CYS A 51 0.184 -8.351 5.791 1.00 1.25 C ATOM 796 C CYS A 51 0.130 -7.847 7.251 1.00 1.41 C ATOM 797 O CYS A 51 0.322 -6.646 7.438 1.00 1.61 O ATOM 798 CB CYS A 51 -1.165 -8.860 5.255 1.00 1.50 C ATOM 799 SG CYS A 51 -1.150 -8.721 3.451 1.00 1.65 S ATOM 0 H CYS A 51 0.868 -10.289 5.347 1.00 1.15 H new ATOM 0 HA CYS A 51 0.441 -7.465 5.210 1.00 1.25 H new ATOM 0 HB2 CYS A 51 -1.326 -9.896 5.554 1.00 1.50 H new ATOM 0 HB3 CYS A 51 -1.985 -8.276 5.674 1.00 1.50 H new ATOM 0 HG CYS A 51 -0.776 -9.853 2.932 1.00 1.65 H new ATOM 805 N PRO A 52 -0.106 -8.690 8.281 1.00 1.09 N ATOM 806 CA PRO A 52 -0.065 -8.299 9.684 1.00 1.16 C ATOM 807 C PRO A 52 1.219 -7.577 10.076 1.00 1.36 C ATOM 808 O PRO A 52 1.124 -6.461 10.567 1.00 1.34 O ATOM 809 CB PRO A 52 -0.282 -9.580 10.507 1.00 1.37 C ATOM 810 CG PRO A 52 -0.116 -10.711 9.493 1.00 1.26 C ATOM 811 CD PRO A 52 -0.639 -10.036 8.233 1.00 1.22 C ATOM 0 HA PRO A 52 -0.849 -7.568 9.883 1.00 1.16 H new ATOM 0 HB2 PRO A 52 0.444 -9.661 11.316 1.00 1.37 H new ATOM 0 HB3 PRO A 52 -1.272 -9.597 10.964 1.00 1.37 H new ATOM 0 HG2 PRO A 52 0.922 -11.028 9.393 1.00 1.26 H new ATOM 0 HG3 PRO A 52 -0.695 -11.595 9.760 1.00 1.26 H new ATOM 0 HD2 PRO A 52 -0.307 -10.561 7.337 1.00 1.22 H new ATOM 0 HD3 PRO A 52 -1.729 -10.029 8.212 1.00 1.22 H new ATOM 819 N THR A 53 2.399 -8.167 9.841 1.00 0.90 N ATOM 820 CA THR A 53 3.706 -7.580 10.180 1.00 0.94 C ATOM 821 C THR A 53 3.909 -6.208 9.542 1.00 1.12 C ATOM 822 O THR A 53 4.159 -5.240 10.265 1.00 1.15 O ATOM 823 CB THR A 53 4.837 -8.552 9.796 1.00 1.07 C ATOM 824 OG1 THR A 53 4.516 -9.144 8.558 1.00 2.61 O ATOM 825 CG2 THR A 53 4.965 -9.673 10.826 1.00 1.58 C ATOM 0 H THR A 53 2.475 -9.084 9.401 1.00 0.90 H new ATOM 0 HA THR A 53 3.730 -7.422 11.258 1.00 0.94 H new ATOM 0 HB THR A 53 5.773 -7.995 9.748 1.00 1.07 H new ATOM 0 HG1 THR A 53 4.844 -10.067 8.542 1.00 2.61 H new ATOM 0 HG21 THR A 53 5.770 -10.346 10.533 1.00 1.58 H new ATOM 0 HG22 THR A 53 5.188 -9.245 11.804 1.00 1.58 H new ATOM 0 HG23 THR A 53 4.028 -10.228 10.878 1.00 1.58 H new ATOM 833 N THR A 54 3.696 -6.082 8.226 1.00 0.82 N ATOM 834 CA THR A 54 3.815 -4.790 7.519 1.00 0.80 C ATOM 835 C THR A 54 2.782 -3.783 8.011 1.00 0.92 C ATOM 836 O THR A 54 3.156 -2.651 8.295 1.00 0.93 O ATOM 837 CB THR A 54 3.764 -4.970 5.998 1.00 0.87 C ATOM 838 OG1 THR A 54 4.904 -5.697 5.620 1.00 1.13 O ATOM 839 CG2 THR A 54 3.840 -3.655 5.225 1.00 1.00 C ATOM 0 H THR A 54 3.438 -6.862 7.621 1.00 0.82 H new ATOM 0 HA THR A 54 4.796 -4.379 7.756 1.00 0.80 H new ATOM 0 HB THR A 54 2.817 -5.458 5.768 1.00 0.87 H new ATOM 0 HG1 THR A 54 4.985 -5.694 4.643 1.00 1.13 H new ATOM 0 HG21 THR A 54 3.799 -3.859 4.155 1.00 1.00 H new ATOM 0 HG22 THR A 54 3.001 -3.019 5.506 1.00 1.00 H new ATOM 0 HG23 THR A 54 4.775 -3.147 5.462 1.00 1.00 H new ATOM 847 N LEU A 55 1.503 -4.145 8.164 1.00 0.78 N ATOM 848 CA LEU A 55 0.483 -3.194 8.631 1.00 0.82 C ATOM 849 C LEU A 55 0.681 -2.799 10.103 1.00 1.27 C ATOM 850 O LEU A 55 0.295 -1.692 10.477 1.00 1.49 O ATOM 851 CB LEU A 55 -0.941 -3.703 8.347 1.00 0.93 C ATOM 852 CG LEU A 55 -1.465 -3.370 6.934 1.00 1.36 C ATOM 853 CD1 LEU A 55 -0.795 -4.147 5.789 1.00 2.47 C ATOM 854 CD2 LEU A 55 -2.984 -3.597 6.884 1.00 1.62 C ATOM 0 H LEU A 55 1.149 -5.083 7.973 1.00 0.78 H new ATOM 0 HA LEU A 55 0.614 -2.279 8.053 1.00 0.82 H new ATOM 0 HB2 LEU A 55 -0.962 -4.784 8.484 1.00 0.93 H new ATOM 0 HB3 LEU A 55 -1.621 -3.275 9.084 1.00 0.93 H new ATOM 0 HG LEU A 55 -1.208 -2.324 6.768 1.00 1.36 H new ATOM 0 HD11 LEU A 55 -1.232 -3.842 4.838 1.00 2.47 H new ATOM 0 HD12 LEU A 55 0.274 -3.934 5.782 1.00 2.47 H new ATOM 0 HD13 LEU A 55 -0.951 -5.216 5.934 1.00 2.47 H new ATOM 0 HD21 LEU A 55 -3.354 -3.362 5.886 1.00 1.62 H new ATOM 0 HD22 LEU A 55 -3.204 -4.639 7.117 1.00 1.62 H new ATOM 0 HD23 LEU A 55 -3.473 -2.951 7.614 1.00 1.62 H new ATOM 866 N LEU A 56 1.343 -3.630 10.918 1.00 0.81 N ATOM 867 CA LEU A 56 1.806 -3.267 12.255 1.00 0.87 C ATOM 868 C LEU A 56 2.872 -2.173 12.136 1.00 1.27 C ATOM 869 O LEU A 56 2.720 -1.129 12.758 1.00 1.40 O ATOM 870 CB LEU A 56 2.318 -4.534 12.983 1.00 1.01 C ATOM 871 CG LEU A 56 2.187 -4.543 14.518 1.00 1.14 C ATOM 872 CD1 LEU A 56 2.705 -5.883 15.056 1.00 2.17 C ATOM 873 CD2 LEU A 56 2.930 -3.395 15.203 1.00 1.81 C ATOM 0 H LEU A 56 1.574 -4.589 10.658 1.00 0.81 H new ATOM 0 HA LEU A 56 0.991 -2.862 12.855 1.00 0.87 H new ATOM 0 HB2 LEU A 56 1.779 -5.396 12.589 1.00 1.01 H new ATOM 0 HB3 LEU A 56 3.369 -4.673 12.729 1.00 1.01 H new ATOM 0 HG LEU A 56 1.130 -4.407 14.748 1.00 1.14 H new ATOM 0 HD11 LEU A 56 2.616 -5.898 16.142 1.00 2.17 H new ATOM 0 HD12 LEU A 56 2.117 -6.697 14.632 1.00 2.17 H new ATOM 0 HD13 LEU A 56 3.751 -6.008 14.776 1.00 2.17 H new ATOM 0 HD21 LEU A 56 2.793 -3.466 16.282 1.00 1.81 H new ATOM 0 HD22 LEU A 56 3.992 -3.457 14.967 1.00 1.81 H new ATOM 0 HD23 LEU A 56 2.535 -2.443 14.849 1.00 1.81 H new ATOM 885 N ALA A 57 3.904 -2.356 11.307 1.00 0.90 N ATOM 886 CA ALA A 57 4.957 -1.356 11.120 1.00 0.96 C ATOM 887 C ALA A 57 4.455 -0.046 10.486 1.00 1.05 C ATOM 888 O ALA A 57 4.792 1.044 10.964 1.00 1.31 O ATOM 889 CB ALA A 57 6.061 -2.004 10.293 1.00 1.00 C ATOM 0 H ALA A 57 4.032 -3.200 10.748 1.00 0.90 H new ATOM 0 HA ALA A 57 5.336 -1.052 12.096 1.00 0.96 H new ATOM 0 HB1 ALA A 57 6.865 -1.286 10.133 1.00 1.00 H new ATOM 0 HB2 ALA A 57 6.451 -2.873 10.823 1.00 1.00 H new ATOM 0 HB3 ALA A 57 5.658 -2.317 9.330 1.00 1.00 H new ATOM 895 N LEU A 58 3.589 -0.124 9.469 1.00 0.85 N ATOM 896 CA LEU A 58 2.917 1.032 8.866 1.00 0.85 C ATOM 897 C LEU A 58 2.107 1.808 9.911 1.00 1.24 C ATOM 898 O LEU A 58 2.269 3.021 10.041 1.00 1.43 O ATOM 899 CB LEU A 58 2.017 0.568 7.704 1.00 0.83 C ATOM 900 CG LEU A 58 2.755 0.065 6.445 1.00 1.02 C ATOM 901 CD1 LEU A 58 1.726 -0.500 5.454 1.00 1.19 C ATOM 902 CD2 LEU A 58 3.541 1.191 5.763 1.00 1.46 C ATOM 0 H LEU A 58 3.331 -1.010 9.034 1.00 0.85 H new ATOM 0 HA LEU A 58 3.676 1.708 8.473 1.00 0.85 H new ATOM 0 HB2 LEU A 58 1.370 -0.231 8.067 1.00 0.83 H new ATOM 0 HB3 LEU A 58 1.370 1.397 7.417 1.00 0.83 H new ATOM 0 HG LEU A 58 3.462 -0.706 6.750 1.00 1.02 H new ATOM 0 HD11 LEU A 58 2.239 -0.858 4.561 1.00 1.19 H new ATOM 0 HD12 LEU A 58 1.188 -1.326 5.919 1.00 1.19 H new ATOM 0 HD13 LEU A 58 1.019 0.283 5.177 1.00 1.19 H new ATOM 0 HD21 LEU A 58 4.047 0.799 4.881 1.00 1.46 H new ATOM 0 HD22 LEU A 58 2.856 1.985 5.465 1.00 1.46 H new ATOM 0 HD23 LEU A 58 4.280 1.591 6.457 1.00 1.46 H new ATOM 914 N LYS A 59 1.275 1.141 10.724 1.00 0.82 N ATOM 915 CA LYS A 59 0.520 1.856 11.766 1.00 0.87 C ATOM 916 C LYS A 59 1.428 2.377 12.896 1.00 1.09 C ATOM 917 O LYS A 59 1.175 3.454 13.435 1.00 1.15 O ATOM 918 CB LYS A 59 -0.706 1.030 12.209 1.00 0.97 C ATOM 919 CG LYS A 59 -0.588 0.150 13.463 1.00 1.13 C ATOM 920 CD LYS A 59 -0.900 0.906 14.762 1.00 1.49 C ATOM 921 CE LYS A 59 -1.098 -0.091 15.906 1.00 1.38 C ATOM 922 NZ LYS A 59 -1.559 0.589 17.139 1.00 1.82 N ATOM 0 H LYS A 59 1.109 0.135 10.685 1.00 0.82 H new ATOM 0 HA LYS A 59 0.106 2.773 11.346 1.00 0.87 H new ATOM 0 HB2 LYS A 59 -1.532 1.723 12.368 1.00 0.97 H new ATOM 0 HB3 LYS A 59 -0.988 0.384 11.377 1.00 0.97 H new ATOM 0 HG2 LYS A 59 -1.268 -0.697 13.370 1.00 1.13 H new ATOM 0 HG3 LYS A 59 0.422 -0.257 13.520 1.00 1.13 H new ATOM 0 HD2 LYS A 59 -0.086 1.590 15.000 1.00 1.49 H new ATOM 0 HD3 LYS A 59 -1.798 1.511 14.635 1.00 1.49 H new ATOM 0 HE2 LYS A 59 -1.826 -0.846 15.611 1.00 1.38 H new ATOM 0 HE3 LYS A 59 -0.161 -0.612 16.104 1.00 1.38 H new ATOM 0 HZ1 LYS A 59 -1.830 -0.123 17.847 1.00 1.82 H new ATOM 0 HZ2 LYS A 59 -0.791 1.180 17.517 1.00 1.82 H new ATOM 0 HZ3 LYS A 59 -2.380 1.188 16.919 1.00 1.82 H new ATOM 936 N ARG A 60 2.526 1.674 13.198 1.00 0.93 N ATOM 937 CA ARG A 60 3.571 2.127 14.129 1.00 1.05 C ATOM 938 C ARG A 60 4.284 3.400 13.657 1.00 1.42 C ATOM 939 O ARG A 60 4.641 4.222 14.501 1.00 1.46 O ATOM 940 CB ARG A 60 4.602 1.008 14.363 1.00 1.14 C ATOM 941 CG ARG A 60 4.109 -0.105 15.297 1.00 1.23 C ATOM 942 CD ARG A 60 4.499 0.116 16.762 1.00 1.48 C ATOM 943 NE ARG A 60 3.999 1.402 17.263 1.00 2.49 N ATOM 944 CZ ARG A 60 4.706 2.476 17.578 1.00 3.85 C ATOM 945 NH1 ARG A 60 6.021 2.528 17.462 1.00 4.36 N ATOM 946 NH2 ARG A 60 4.048 3.522 18.015 1.00 5.18 N ATOM 0 H ARG A 60 2.718 0.757 12.795 1.00 0.93 H new ATOM 0 HA ARG A 60 3.068 2.370 15.065 1.00 1.05 H new ATOM 0 HB2 ARG A 60 4.872 0.570 13.402 1.00 1.14 H new ATOM 0 HB3 ARG A 60 5.509 1.445 14.781 1.00 1.14 H new ATOM 0 HG2 ARG A 60 3.024 -0.177 15.224 1.00 1.23 H new ATOM 0 HG3 ARG A 60 4.515 -1.059 14.960 1.00 1.23 H new ATOM 0 HD2 ARG A 60 4.099 -0.694 17.372 1.00 1.48 H new ATOM 0 HD3 ARG A 60 5.584 0.083 16.860 1.00 1.48 H new ATOM 0 HE ARG A 60 2.989 1.477 17.382 1.00 2.49 H new ATOM 0 HH11 ARG A 60 6.535 1.717 17.117 1.00 4.36 H new ATOM 0 HH12 ARG A 60 6.522 3.379 17.718 1.00 4.36 H new ATOM 0 HH21 ARG A 60 3.032 3.486 18.101 1.00 5.18 H new ATOM 0 HH22 ARG A 60 4.552 4.372 18.270 1.00 5.18 H new ATOM 960 N ALA A 61 4.463 3.598 12.346 1.00 1.01 N ATOM 961 CA ALA A 61 4.955 4.855 11.783 1.00 1.02 C ATOM 962 C ALA A 61 3.930 5.997 11.906 1.00 1.10 C ATOM 963 O ALA A 61 4.283 7.108 12.298 1.00 1.21 O ATOM 964 CB ALA A 61 5.386 4.606 10.334 1.00 1.05 C ATOM 0 H ALA A 61 4.269 2.884 11.644 1.00 1.01 H new ATOM 0 HA ALA A 61 5.818 5.190 12.359 1.00 1.02 H new ATOM 0 HB1 ALA A 61 5.756 5.535 9.900 1.00 1.05 H new ATOM 0 HB2 ALA A 61 6.177 3.856 10.313 1.00 1.05 H new ATOM 0 HB3 ALA A 61 4.533 4.250 9.757 1.00 1.05 H new ATOM 970 N TYR A 62 2.644 5.708 11.667 1.00 0.91 N ATOM 971 CA TYR A 62 1.515 6.639 11.877 1.00 0.96 C ATOM 972 C TYR A 62 1.363 7.089 13.351 1.00 1.31 C ATOM 973 O TYR A 62 1.076 8.252 13.616 1.00 1.44 O ATOM 974 CB TYR A 62 0.231 5.995 11.325 1.00 1.03 C ATOM 975 CG TYR A 62 -1.024 6.846 11.433 1.00 1.60 C ATOM 976 CD1 TYR A 62 -1.694 6.942 12.669 1.00 2.55 C ATOM 977 CD2 TYR A 62 -1.547 7.514 10.306 1.00 2.15 C ATOM 978 CE1 TYR A 62 -2.853 7.724 12.790 1.00 3.13 C ATOM 979 CE2 TYR A 62 -2.734 8.268 10.410 1.00 2.62 C ATOM 980 CZ TYR A 62 -3.389 8.373 11.660 1.00 2.84 C ATOM 981 OH TYR A 62 -4.529 9.098 11.799 1.00 3.53 O ATOM 0 H TYR A 62 2.347 4.799 11.313 1.00 0.91 H new ATOM 0 HA TYR A 62 1.720 7.559 11.329 1.00 0.96 H new ATOM 0 HB2 TYR A 62 0.392 5.746 10.276 1.00 1.03 H new ATOM 0 HB3 TYR A 62 0.060 5.057 11.853 1.00 1.03 H new ATOM 0 HD1 TYR A 62 -1.313 6.410 13.529 1.00 2.55 H new ATOM 0 HD2 TYR A 62 -1.035 7.448 9.357 1.00 2.15 H new ATOM 0 HE1 TYR A 62 -3.335 7.829 13.751 1.00 3.13 H new ATOM 0 HE2 TYR A 62 -3.141 8.763 9.540 1.00 2.62 H new ATOM 0 HH TYR A 62 -4.488 9.616 12.630 1.00 3.53 H new ATOM 991 N GLU A 63 1.629 6.201 14.312 1.00 1.19 N ATOM 992 CA GLU A 63 1.743 6.509 15.749 1.00 1.56 C ATOM 993 C GLU A 63 3.000 7.333 16.117 1.00 1.87 C ATOM 994 O GLU A 63 3.136 7.798 17.247 1.00 2.27 O ATOM 995 CB GLU A 63 1.732 5.199 16.548 1.00 1.82 C ATOM 996 CG GLU A 63 0.369 4.497 16.565 1.00 1.86 C ATOM 997 CD GLU A 63 0.411 3.176 17.335 1.00 2.40 C ATOM 998 OE1 GLU A 63 1.364 2.378 17.157 1.00 3.46 O ATOM 999 OE2 GLU A 63 -0.568 2.877 18.045 1.00 2.66 O ATOM 0 H GLU A 63 1.777 5.212 14.109 1.00 1.19 H new ATOM 0 HA GLU A 63 0.886 7.133 16.004 1.00 1.56 H new ATOM 0 HB2 GLU A 63 2.474 4.521 16.127 1.00 1.82 H new ATOM 0 HB3 GLU A 63 2.036 5.407 17.574 1.00 1.82 H new ATOM 0 HG2 GLU A 63 -0.372 5.156 17.017 1.00 1.86 H new ATOM 0 HG3 GLU A 63 0.046 4.309 15.541 1.00 1.86 H new ATOM 1006 N LYS A 64 3.982 7.441 15.216 1.00 1.51 N ATOM 1007 CA LYS A 64 5.273 8.095 15.454 1.00 1.71 C ATOM 1008 C LYS A 64 5.488 9.443 14.739 1.00 1.94 C ATOM 1009 O LYS A 64 6.467 10.120 15.082 1.00 2.26 O ATOM 1010 CB LYS A 64 6.369 7.093 15.057 1.00 1.63 C ATOM 1011 CG LYS A 64 6.814 6.182 16.204 1.00 1.76 C ATOM 1012 CD LYS A 64 7.640 6.903 17.282 1.00 2.20 C ATOM 1013 CE LYS A 64 8.962 7.468 16.738 1.00 3.36 C ATOM 1014 NZ LYS A 64 8.872 8.884 16.299 1.00 4.68 N ATOM 0 H LYS A 64 3.898 7.064 14.272 1.00 1.51 H new ATOM 0 HA LYS A 64 5.306 8.361 16.510 1.00 1.71 H new ATOM 0 HB2 LYS A 64 6.005 6.476 14.235 1.00 1.63 H new ATOM 0 HB3 LYS A 64 7.234 7.642 14.685 1.00 1.63 H new ATOM 0 HG2 LYS A 64 5.932 5.741 16.669 1.00 1.76 H new ATOM 0 HG3 LYS A 64 7.403 5.361 15.796 1.00 1.76 H new ATOM 0 HD2 LYS A 64 7.049 7.716 17.704 1.00 2.20 H new ATOM 0 HD3 LYS A 64 7.854 6.209 18.095 1.00 2.20 H new ATOM 0 HE2 LYS A 64 9.727 7.384 17.510 1.00 3.36 H new ATOM 0 HE3 LYS A 64 9.289 6.857 15.897 1.00 3.36 H new ATOM 0 HZ1 LYS A 64 9.460 9.023 15.453 1.00 4.68 H new ATOM 0 HZ2 LYS A 64 7.883 9.116 16.076 1.00 4.68 H new ATOM 0 HZ3 LYS A 64 9.210 9.506 17.061 1.00 4.68 H new ATOM 1028 N LEU A 65 4.641 9.826 13.777 1.00 1.86 N ATOM 1029 CA LEU A 65 4.558 11.176 13.177 1.00 1.87 C ATOM 1030 C LEU A 65 3.857 12.155 14.153 1.00 2.08 C ATOM 1031 O LEU A 65 3.281 11.686 15.135 1.00 2.39 O ATOM 1032 CB LEU A 65 3.929 11.053 11.766 1.00 1.85 C ATOM 1033 CG LEU A 65 2.588 10.304 11.623 1.00 1.19 C ATOM 1034 CD1 LEU A 65 1.377 11.016 12.239 1.00 2.51 C ATOM 1035 CD2 LEU A 65 2.293 10.094 10.137 1.00 2.62 C ATOM 0 H LEU A 65 3.962 9.181 13.373 1.00 1.86 H new ATOM 0 HA LEU A 65 5.543 11.618 13.024 1.00 1.87 H new ATOM 0 HB2 LEU A 65 3.789 12.061 11.376 1.00 1.85 H new ATOM 0 HB3 LEU A 65 4.655 10.559 11.121 1.00 1.85 H new ATOM 0 HG LEU A 65 2.718 9.371 12.171 1.00 1.19 H new ATOM 0 HD11 LEU A 65 0.483 10.411 12.087 1.00 2.51 H new ATOM 0 HD12 LEU A 65 1.542 11.157 13.307 1.00 2.51 H new ATOM 0 HD13 LEU A 65 1.244 11.987 11.761 1.00 2.51 H new ATOM 0 HD21 LEU A 65 1.347 9.565 10.025 1.00 2.62 H new ATOM 0 HD22 LEU A 65 2.229 11.061 9.638 1.00 2.62 H new ATOM 0 HD23 LEU A 65 3.093 9.506 9.687 1.00 2.62 H new ATOM 1047 N PRO A 66 3.894 13.493 13.960 1.00 1.89 N ATOM 1048 CA PRO A 66 3.144 14.403 14.818 1.00 1.89 C ATOM 1049 C PRO A 66 1.646 14.256 14.527 1.00 1.67 C ATOM 1050 O PRO A 66 1.282 13.966 13.383 1.00 1.38 O ATOM 1051 CB PRO A 66 3.638 15.816 14.491 1.00 2.04 C ATOM 1052 CG PRO A 66 4.112 15.700 13.047 1.00 2.00 C ATOM 1053 CD PRO A 66 4.599 14.255 12.936 1.00 2.00 C ATOM 0 HA PRO A 66 3.294 14.187 15.876 1.00 1.89 H new ATOM 0 HB2 PRO A 66 2.842 16.554 14.595 1.00 2.04 H new ATOM 0 HB3 PRO A 66 4.446 16.123 15.155 1.00 2.04 H new ATOM 0 HG2 PRO A 66 3.305 15.905 12.344 1.00 2.00 H new ATOM 0 HG3 PRO A 66 4.911 16.409 12.830 1.00 2.00 H new ATOM 0 HD2 PRO A 66 4.393 13.853 11.944 1.00 2.00 H new ATOM 0 HD3 PRO A 66 5.677 14.198 13.085 1.00 2.00 H new ATOM 1061 N PRO A 67 0.761 14.530 15.502 1.00 1.69 N ATOM 1062 CA PRO A 67 -0.675 14.358 15.327 1.00 1.80 C ATOM 1063 C PRO A 67 -1.248 15.189 14.172 1.00 1.67 C ATOM 1064 O PRO A 67 -2.323 14.858 13.678 1.00 1.79 O ATOM 1065 CB PRO A 67 -1.305 14.717 16.680 1.00 2.11 C ATOM 1066 CG PRO A 67 -0.257 15.601 17.353 1.00 2.08 C ATOM 1067 CD PRO A 67 1.058 15.019 16.840 1.00 2.02 C ATOM 0 HA PRO A 67 -0.907 13.332 15.042 1.00 1.80 H new ATOM 0 HB2 PRO A 67 -2.250 15.245 16.553 1.00 2.11 H new ATOM 0 HB3 PRO A 67 -1.515 13.826 17.272 1.00 2.11 H new ATOM 0 HG2 PRO A 67 -0.372 16.648 17.074 1.00 2.08 H new ATOM 0 HG3 PRO A 67 -0.324 15.552 18.440 1.00 2.08 H new ATOM 0 HD2 PRO A 67 1.842 15.776 16.818 1.00 2.02 H new ATOM 0 HD3 PRO A 67 1.411 14.214 17.485 1.00 2.02 H new ATOM 1075 N LYS A 68 -0.542 16.225 13.685 1.00 1.36 N ATOM 1076 CA LYS A 68 -1.016 17.041 12.563 1.00 1.46 C ATOM 1077 C LYS A 68 -0.687 16.461 11.177 1.00 1.67 C ATOM 1078 O LYS A 68 -1.326 16.858 10.209 1.00 1.78 O ATOM 1079 CB LYS A 68 -0.472 18.476 12.712 1.00 1.63 C ATOM 1080 CG LYS A 68 -1.595 19.525 12.766 1.00 2.12 C ATOM 1081 CD LYS A 68 -2.455 19.660 11.494 1.00 2.62 C ATOM 1082 CE LYS A 68 -1.643 20.149 10.286 1.00 3.34 C ATOM 1083 NZ LYS A 68 -2.485 20.277 9.072 1.00 3.98 N ATOM 0 H LYS A 68 0.363 16.515 14.056 1.00 1.36 H new ATOM 0 HA LYS A 68 -2.105 17.045 12.611 1.00 1.46 H new ATOM 0 HB2 LYS A 68 0.127 18.542 13.620 1.00 1.63 H new ATOM 0 HB3 LYS A 68 0.190 18.699 11.876 1.00 1.63 H new ATOM 0 HG2 LYS A 68 -2.252 19.282 13.601 1.00 2.12 H new ATOM 0 HG3 LYS A 68 -1.149 20.495 12.984 1.00 2.12 H new ATOM 0 HD2 LYS A 68 -2.905 18.695 11.259 1.00 2.62 H new ATOM 0 HD3 LYS A 68 -3.273 20.355 11.684 1.00 2.62 H new ATOM 0 HE2 LYS A 68 -1.191 21.113 10.518 1.00 3.34 H new ATOM 0 HE3 LYS A 68 -0.827 19.453 10.091 1.00 3.34 H new ATOM 0 HZ1 LYS A 68 -2.088 21.010 8.450 1.00 3.98 H new ATOM 0 HZ2 LYS A 68 -2.506 19.368 8.567 1.00 3.98 H new ATOM 0 HZ3 LYS A 68 -3.452 20.543 9.347 1.00 3.98 H new ATOM 1097 N ALA A 69 0.296 15.557 11.062 1.00 1.27 N ATOM 1098 CA ALA A 69 0.584 14.784 9.847 1.00 1.28 C ATOM 1099 C ALA A 69 -0.386 13.613 9.592 1.00 1.30 C ATOM 1100 O ALA A 69 -0.426 13.110 8.468 1.00 1.40 O ATOM 1101 CB ALA A 69 2.063 14.364 9.850 1.00 1.44 C ATOM 0 H ALA A 69 0.929 15.338 11.832 1.00 1.27 H new ATOM 0 HA ALA A 69 0.408 15.436 8.992 1.00 1.28 H new ATOM 0 HB1 ALA A 69 2.280 13.790 8.949 1.00 1.44 H new ATOM 0 HB2 ALA A 69 2.694 15.253 9.875 1.00 1.44 H new ATOM 0 HB3 ALA A 69 2.265 13.751 10.728 1.00 1.44 H new ATOM 1107 N GLN A 70 -1.162 13.180 10.593 1.00 1.09 N ATOM 1108 CA GLN A 70 -2.183 12.129 10.466 1.00 1.11 C ATOM 1109 C GLN A 70 -3.082 12.329 9.240 1.00 1.30 C ATOM 1110 O GLN A 70 -3.241 11.413 8.444 1.00 1.56 O ATOM 1111 CB GLN A 70 -3.056 12.130 11.727 1.00 1.32 C ATOM 1112 CG GLN A 70 -2.353 11.554 12.966 1.00 1.62 C ATOM 1113 CD GLN A 70 -3.340 11.404 14.122 1.00 1.97 C ATOM 1114 OE1 GLN A 70 -3.900 10.342 14.346 1.00 2.44 O ATOM 1115 NE2 GLN A 70 -3.653 12.458 14.847 1.00 2.74 N ATOM 0 H GLN A 70 -1.097 13.559 11.538 1.00 1.09 H new ATOM 0 HA GLN A 70 -1.664 11.178 10.343 1.00 1.11 H new ATOM 0 HB2 GLN A 70 -3.369 13.152 11.940 1.00 1.32 H new ATOM 0 HB3 GLN A 70 -3.960 11.553 11.532 1.00 1.32 H new ATOM 0 HG2 GLN A 70 -1.916 10.585 12.725 1.00 1.62 H new ATOM 0 HG3 GLN A 70 -1.533 12.208 13.263 1.00 1.62 H new ATOM 0 HE21 GLN A 70 -3.194 13.352 14.672 1.00 2.74 H new ATOM 0 HE22 GLN A 70 -4.354 12.380 15.584 1.00 2.74 H new ATOM 1124 N GLU A 71 -3.605 13.546 9.048 1.00 1.43 N ATOM 1125 CA GLU A 71 -4.421 13.926 7.883 1.00 1.69 C ATOM 1126 C GLU A 71 -3.735 13.667 6.533 1.00 1.73 C ATOM 1127 O GLU A 71 -4.387 13.294 5.556 1.00 2.24 O ATOM 1128 CB GLU A 71 -4.844 15.406 8.024 1.00 2.02 C ATOM 1129 CG GLU A 71 -3.703 16.433 8.183 1.00 2.13 C ATOM 1130 CD GLU A 71 -3.459 17.387 7.004 1.00 3.30 C ATOM 1131 OE1 GLU A 71 -3.955 17.147 5.889 1.00 4.67 O ATOM 1132 OE2 GLU A 71 -2.712 18.373 7.219 1.00 3.61 O ATOM 0 H GLU A 71 -3.472 14.311 9.710 1.00 1.43 H new ATOM 0 HA GLU A 71 -5.301 13.283 7.878 1.00 1.69 H new ATOM 0 HB2 GLU A 71 -5.430 15.679 7.146 1.00 2.02 H new ATOM 0 HB3 GLU A 71 -5.504 15.492 8.887 1.00 2.02 H new ATOM 0 HG2 GLU A 71 -3.908 17.034 9.069 1.00 2.13 H new ATOM 0 HG3 GLU A 71 -2.779 15.887 8.375 1.00 2.13 H new ATOM 1139 N ARG A 72 -2.412 13.801 6.488 1.00 1.09 N ATOM 1140 CA ARG A 72 -1.594 13.676 5.289 1.00 0.96 C ATOM 1141 C ARG A 72 -1.260 12.218 5.022 1.00 1.30 C ATOM 1142 O ARG A 72 -1.429 11.784 3.884 1.00 1.71 O ATOM 1143 CB ARG A 72 -0.332 14.539 5.442 1.00 1.13 C ATOM 1144 CG ARG A 72 -0.777 15.958 5.788 1.00 1.49 C ATOM 1145 CD ARG A 72 0.251 17.024 5.482 1.00 1.80 C ATOM 1146 NE ARG A 72 -0.430 18.325 5.498 1.00 2.72 N ATOM 1147 CZ ARG A 72 -0.087 19.366 4.759 1.00 3.23 C ATOM 1148 NH1 ARG A 72 1.086 19.436 4.171 1.00 3.42 N ATOM 1149 NH2 ARG A 72 -0.956 20.343 4.609 1.00 4.43 N ATOM 0 H ARG A 72 -1.860 14.008 7.320 1.00 1.09 H new ATOM 0 HA ARG A 72 -2.150 14.038 4.424 1.00 0.96 H new ATOM 0 HB2 ARG A 72 0.312 14.139 6.225 1.00 1.13 H new ATOM 0 HB3 ARG A 72 0.248 14.535 4.519 1.00 1.13 H new ATOM 0 HG2 ARG A 72 -1.692 16.183 5.239 1.00 1.49 H new ATOM 0 HG3 ARG A 72 -1.023 16.001 6.849 1.00 1.49 H new ATOM 0 HD2 ARG A 72 1.053 17.004 6.220 1.00 1.80 H new ATOM 0 HD3 ARG A 72 0.709 16.845 4.509 1.00 1.80 H new ATOM 0 HE ARG A 72 -1.227 18.433 6.126 1.00 2.72 H new ATOM 0 HH11 ARG A 72 1.757 18.675 4.279 1.00 3.42 H new ATOM 0 HH12 ARG A 72 1.325 20.251 3.606 1.00 3.42 H new ATOM 0 HH21 ARG A 72 -1.870 20.286 5.058 1.00 4.43 H new ATOM 0 HH22 ARG A 72 -0.715 21.157 4.044 1.00 4.43 H new ATOM 1163 N VAL A 73 -0.815 11.489 6.042 1.00 1.10 N ATOM 1164 CA VAL A 73 -0.256 10.137 5.926 1.00 1.25 C ATOM 1165 C VAL A 73 -1.365 9.095 6.052 1.00 1.48 C ATOM 1166 O VAL A 73 -1.925 8.901 7.131 1.00 1.92 O ATOM 1167 CB VAL A 73 0.868 9.915 6.958 1.00 1.52 C ATOM 1168 CG1 VAL A 73 1.443 8.490 6.880 1.00 1.78 C ATOM 1169 CG2 VAL A 73 2.009 10.923 6.723 1.00 2.63 C ATOM 0 H VAL A 73 -0.832 11.830 7.003 1.00 1.10 H new ATOM 0 HA VAL A 73 0.193 10.024 4.939 1.00 1.25 H new ATOM 0 HB VAL A 73 0.431 10.060 7.946 1.00 1.52 H new ATOM 0 HG11 VAL A 73 2.232 8.375 7.623 1.00 1.78 H new ATOM 0 HG12 VAL A 73 0.651 7.767 7.076 1.00 1.78 H new ATOM 0 HG13 VAL A 73 1.854 8.317 5.885 1.00 1.78 H new ATOM 0 HG21 VAL A 73 2.798 10.758 7.457 1.00 2.63 H new ATOM 0 HG22 VAL A 73 2.413 10.788 5.720 1.00 2.63 H new ATOM 0 HG23 VAL A 73 1.625 11.938 6.826 1.00 2.63 H new ATOM 1179 N GLN A 74 -1.685 8.416 4.947 1.00 1.13 N ATOM 1180 CA GLN A 74 -2.830 7.510 4.856 1.00 1.03 C ATOM 1181 C GLN A 74 -2.468 6.238 4.074 1.00 1.11 C ATOM 1182 O GLN A 74 -1.837 6.319 3.023 1.00 1.30 O ATOM 1183 CB GLN A 74 -3.973 8.290 4.194 1.00 1.16 C ATOM 1184 CG GLN A 74 -5.310 7.538 4.233 1.00 1.63 C ATOM 1185 CD GLN A 74 -6.482 8.393 3.746 1.00 1.85 C ATOM 1186 OE1 GLN A 74 -6.353 9.555 3.380 1.00 2.39 O ATOM 1187 NE2 GLN A 74 -7.685 7.872 3.750 1.00 2.89 N ATOM 0 H GLN A 74 -1.149 8.482 4.081 1.00 1.13 H new ATOM 0 HA GLN A 74 -3.138 7.172 5.846 1.00 1.03 H new ATOM 0 HB2 GLN A 74 -4.088 9.251 4.695 1.00 1.16 H new ATOM 0 HB3 GLN A 74 -3.710 8.500 3.157 1.00 1.16 H new ATOM 0 HG2 GLN A 74 -5.237 6.643 3.615 1.00 1.63 H new ATOM 0 HG3 GLN A 74 -5.506 7.206 5.253 1.00 1.63 H new ATOM 0 HE21 GLN A 74 -7.822 6.907 4.050 1.00 2.89 H new ATOM 0 HE22 GLN A 74 -8.484 8.432 3.453 1.00 2.89 H new ATOM 1196 N VAL A 75 -2.879 5.069 4.581 1.00 0.86 N ATOM 1197 CA VAL A 75 -2.505 3.760 4.007 1.00 0.73 C ATOM 1198 C VAL A 75 -3.660 3.192 3.182 1.00 0.79 C ATOM 1199 O VAL A 75 -4.800 3.142 3.654 1.00 1.06 O ATOM 1200 CB VAL A 75 -2.088 2.749 5.097 1.00 0.81 C ATOM 1201 CG1 VAL A 75 -1.741 1.364 4.515 1.00 0.87 C ATOM 1202 CG2 VAL A 75 -0.871 3.276 5.878 1.00 1.24 C ATOM 0 H VAL A 75 -3.481 4.999 5.401 1.00 0.86 H new ATOM 0 HA VAL A 75 -1.643 3.924 3.360 1.00 0.73 H new ATOM 0 HB VAL A 75 -2.946 2.635 5.760 1.00 0.81 H new ATOM 0 HG11 VAL A 75 -1.454 0.691 5.323 1.00 0.87 H new ATOM 0 HG12 VAL A 75 -2.610 0.959 3.997 1.00 0.87 H new ATOM 0 HG13 VAL A 75 -0.913 1.461 3.813 1.00 0.87 H new ATOM 0 HG21 VAL A 75 -0.589 2.553 6.643 1.00 1.24 H new ATOM 0 HG22 VAL A 75 -0.036 3.425 5.193 1.00 1.24 H new ATOM 0 HG23 VAL A 75 -1.125 4.224 6.352 1.00 1.24 H new ATOM 1212 N ILE A 76 -3.345 2.728 1.968 1.00 0.59 N ATOM 1213 CA ILE A 76 -4.263 1.997 1.088 1.00 0.53 C ATOM 1214 C ILE A 76 -3.707 0.585 0.844 1.00 0.71 C ATOM 1215 O ILE A 76 -2.621 0.409 0.284 1.00 0.98 O ATOM 1216 CB ILE A 76 -4.469 2.764 -0.236 1.00 0.57 C ATOM 1217 CG1 ILE A 76 -4.932 4.232 -0.055 1.00 0.96 C ATOM 1218 CG2 ILE A 76 -5.443 2.006 -1.163 1.00 0.60 C ATOM 1219 CD1 ILE A 76 -6.297 4.435 0.611 1.00 1.38 C ATOM 0 H ILE A 76 -2.419 2.854 1.559 1.00 0.59 H new ATOM 0 HA ILE A 76 -5.240 1.910 1.564 1.00 0.53 H new ATOM 0 HB ILE A 76 -3.483 2.814 -0.699 1.00 0.57 H new ATOM 0 HG12 ILE A 76 -4.181 4.757 0.536 1.00 0.96 H new ATOM 0 HG13 ILE A 76 -4.956 4.707 -1.036 1.00 0.96 H new ATOM 0 HG21 ILE A 76 -5.573 2.565 -2.090 1.00 0.60 H new ATOM 0 HG22 ILE A 76 -5.038 1.020 -1.388 1.00 0.60 H new ATOM 0 HG23 ILE A 76 -6.407 1.897 -0.667 1.00 0.60 H new ATOM 0 HD11 ILE A 76 -6.512 5.501 0.683 1.00 1.38 H new ATOM 0 HD12 ILE A 76 -7.069 3.949 0.015 1.00 1.38 H new ATOM 0 HD13 ILE A 76 -6.283 4.000 1.610 1.00 1.38 H new ATOM 1231 N PHE A 77 -4.490 -0.420 1.235 1.00 0.49 N ATOM 1232 CA PHE A 77 -4.198 -1.843 1.069 1.00 0.49 C ATOM 1233 C PHE A 77 -4.903 -2.342 -0.198 1.00 1.36 C ATOM 1234 O PHE A 77 -6.118 -2.172 -0.325 1.00 1.76 O ATOM 1235 CB PHE A 77 -4.698 -2.566 2.335 1.00 0.57 C ATOM 1236 CG PHE A 77 -4.636 -4.087 2.345 1.00 0.76 C ATOM 1237 CD1 PHE A 77 -5.595 -4.861 1.657 1.00 2.07 C ATOM 1238 CD2 PHE A 77 -3.671 -4.735 3.137 1.00 2.22 C ATOM 1239 CE1 PHE A 77 -5.568 -6.266 1.741 1.00 2.05 C ATOM 1240 CE2 PHE A 77 -3.656 -6.136 3.239 1.00 2.35 C ATOM 1241 CZ PHE A 77 -4.601 -6.902 2.535 1.00 1.33 C ATOM 0 H PHE A 77 -5.385 -0.257 1.697 1.00 0.49 H new ATOM 0 HA PHE A 77 -3.132 -2.037 0.951 1.00 0.49 H new ATOM 0 HB2 PHE A 77 -4.119 -2.200 3.183 1.00 0.57 H new ATOM 0 HB3 PHE A 77 -5.733 -2.270 2.505 1.00 0.57 H new ATOM 0 HD1 PHE A 77 -6.353 -4.373 1.063 1.00 2.07 H new ATOM 0 HD2 PHE A 77 -2.936 -4.151 3.671 1.00 2.22 H new ATOM 0 HE1 PHE A 77 -6.291 -6.854 1.195 1.00 2.05 H new ATOM 0 HE2 PHE A 77 -2.918 -6.624 3.858 1.00 2.35 H new ATOM 0 HZ PHE A 77 -4.583 -7.980 2.605 1.00 1.33 H new ATOM 1251 N VAL A 78 -4.148 -2.944 -1.120 1.00 0.55 N ATOM 1252 CA VAL A 78 -4.656 -3.427 -2.409 1.00 0.56 C ATOM 1253 C VAL A 78 -4.548 -4.943 -2.457 1.00 0.87 C ATOM 1254 O VAL A 78 -3.450 -5.497 -2.476 1.00 1.06 O ATOM 1255 CB VAL A 78 -3.942 -2.772 -3.616 1.00 0.63 C ATOM 1256 CG1 VAL A 78 -4.675 -3.110 -4.926 1.00 0.93 C ATOM 1257 CG2 VAL A 78 -3.915 -1.242 -3.459 1.00 1.09 C ATOM 0 H VAL A 78 -3.150 -3.113 -0.991 1.00 0.55 H new ATOM 0 HA VAL A 78 -5.703 -3.135 -2.489 1.00 0.56 H new ATOM 0 HB VAL A 78 -2.924 -3.161 -3.650 1.00 0.63 H new ATOM 0 HG11 VAL A 78 -4.159 -2.641 -5.763 1.00 0.93 H new ATOM 0 HG12 VAL A 78 -4.688 -4.191 -5.067 1.00 0.93 H new ATOM 0 HG13 VAL A 78 -5.698 -2.738 -4.877 1.00 0.93 H new ATOM 0 HG21 VAL A 78 -3.409 -0.797 -4.316 1.00 1.09 H new ATOM 0 HG22 VAL A 78 -4.936 -0.864 -3.403 1.00 1.09 H new ATOM 0 HG23 VAL A 78 -3.381 -0.979 -2.546 1.00 1.09 H new ATOM 1267 N SER A 79 -5.710 -5.586 -2.459 1.00 0.69 N ATOM 1268 CA SER A 79 -5.877 -7.037 -2.626 1.00 0.71 C ATOM 1269 C SER A 79 -5.392 -7.495 -4.017 1.00 0.80 C ATOM 1270 O SER A 79 -5.527 -6.729 -4.976 1.00 1.07 O ATOM 1271 CB SER A 79 -7.350 -7.409 -2.424 1.00 0.98 C ATOM 1272 OG SER A 79 -7.947 -6.675 -1.358 1.00 2.53 O ATOM 0 H SER A 79 -6.598 -5.099 -2.340 1.00 0.69 H new ATOM 0 HA SER A 79 -5.270 -7.547 -1.878 1.00 0.71 H new ATOM 0 HB2 SER A 79 -7.901 -7.221 -3.346 1.00 0.98 H new ATOM 0 HB3 SER A 79 -7.429 -8.476 -2.217 1.00 0.98 H new ATOM 0 HG SER A 79 -8.303 -5.829 -1.702 1.00 2.53 H new ATOM 1278 N VAL A 80 -4.848 -8.716 -4.158 1.00 0.71 N ATOM 1279 CA VAL A 80 -4.252 -9.218 -5.436 1.00 0.72 C ATOM 1280 C VAL A 80 -4.976 -10.450 -6.005 1.00 1.26 C ATOM 1281 O VAL A 80 -4.534 -11.069 -6.972 1.00 1.50 O ATOM 1282 CB VAL A 80 -2.736 -9.514 -5.303 1.00 0.71 C ATOM 1283 CG1 VAL A 80 -1.932 -8.240 -4.998 1.00 1.95 C ATOM 1284 CG2 VAL A 80 -2.410 -10.587 -4.255 1.00 2.05 C ATOM 0 H VAL A 80 -4.803 -9.393 -3.396 1.00 0.71 H new ATOM 0 HA VAL A 80 -4.388 -8.401 -6.145 1.00 0.72 H new ATOM 0 HB VAL A 80 -2.440 -9.906 -6.276 1.00 0.71 H new ATOM 0 HG11 VAL A 80 -0.874 -8.489 -4.912 1.00 1.95 H new ATOM 0 HG12 VAL A 80 -2.071 -7.520 -5.805 1.00 1.95 H new ATOM 0 HG13 VAL A 80 -2.280 -7.806 -4.061 1.00 1.95 H new ATOM 0 HG21 VAL A 80 -1.332 -10.742 -4.216 1.00 2.05 H new ATOM 0 HG22 VAL A 80 -2.765 -10.261 -3.277 1.00 2.05 H new ATOM 0 HG23 VAL A 80 -2.902 -11.521 -4.526 1.00 2.05 H new ATOM 1294 N ASP A 81 -6.077 -10.821 -5.361 1.00 0.79 N ATOM 1295 CA ASP A 81 -6.740 -12.119 -5.410 1.00 1.09 C ATOM 1296 C ASP A 81 -8.263 -11.930 -5.250 1.00 1.29 C ATOM 1297 O ASP A 81 -8.867 -12.410 -4.285 1.00 1.52 O ATOM 1298 CB ASP A 81 -6.116 -13.016 -4.318 1.00 1.43 C ATOM 1299 CG ASP A 81 -6.213 -12.468 -2.880 1.00 3.74 C ATOM 1300 OD1 ASP A 81 -6.137 -11.224 -2.697 1.00 5.11 O ATOM 1301 OD2 ASP A 81 -6.290 -13.323 -1.966 1.00 4.88 O ATOM 0 H ASP A 81 -6.566 -10.173 -4.744 1.00 0.79 H new ATOM 0 HA ASP A 81 -6.594 -12.611 -6.372 1.00 1.09 H new ATOM 0 HB2 ASP A 81 -6.602 -13.991 -4.351 1.00 1.43 H new ATOM 0 HB3 ASP A 81 -5.065 -13.175 -4.558 1.00 1.43 H new ATOM 1306 N PRO A 82 -8.907 -11.192 -6.173 1.00 1.20 N ATOM 1307 CA PRO A 82 -10.292 -10.761 -6.016 1.00 1.45 C ATOM 1308 C PRO A 82 -11.307 -11.905 -6.102 1.00 1.63 C ATOM 1309 O PRO A 82 -12.464 -11.707 -5.740 1.00 1.93 O ATOM 1310 CB PRO A 82 -10.504 -9.735 -7.122 1.00 1.63 C ATOM 1311 CG PRO A 82 -9.556 -10.191 -8.230 1.00 1.53 C ATOM 1312 CD PRO A 82 -8.360 -10.687 -7.425 1.00 1.28 C ATOM 0 HA PRO A 82 -10.457 -10.348 -5.021 1.00 1.45 H new ATOM 0 HB2 PRO A 82 -11.540 -9.722 -7.462 1.00 1.63 H new ATOM 0 HB3 PRO A 82 -10.267 -8.727 -6.783 1.00 1.63 H new ATOM 0 HG2 PRO A 82 -9.992 -10.979 -8.844 1.00 1.53 H new ATOM 0 HG3 PRO A 82 -9.288 -9.375 -8.902 1.00 1.53 H new ATOM 0 HD2 PRO A 82 -7.825 -11.470 -7.962 1.00 1.28 H new ATOM 0 HD3 PRO A 82 -7.649 -9.881 -7.244 1.00 1.28 H new ATOM 1320 N GLU A 83 -10.890 -13.104 -6.521 1.00 1.27 N ATOM 1321 CA GLU A 83 -11.719 -14.307 -6.467 1.00 1.38 C ATOM 1322 C GLU A 83 -11.834 -14.887 -5.041 1.00 1.63 C ATOM 1323 O GLU A 83 -12.459 -15.935 -4.857 1.00 2.01 O ATOM 1324 CB GLU A 83 -11.176 -15.365 -7.439 1.00 1.39 C ATOM 1325 CG GLU A 83 -10.853 -14.834 -8.850 1.00 1.70 C ATOM 1326 CD GLU A 83 -9.420 -14.326 -9.048 1.00 2.60 C ATOM 1327 OE1 GLU A 83 -8.692 -14.070 -8.063 1.00 3.68 O ATOM 1328 OE2 GLU A 83 -8.991 -14.300 -10.222 1.00 2.98 O ATOM 0 H GLU A 83 -9.961 -13.266 -6.909 1.00 1.27 H new ATOM 0 HA GLU A 83 -12.726 -14.019 -6.769 1.00 1.38 H new ATOM 0 HB2 GLU A 83 -10.272 -15.801 -7.013 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -11.907 -16.169 -7.526 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -11.042 -15.629 -9.571 1.00 1.70 H new ATOM 0 HG3 GLU A 83 -11.543 -14.023 -9.082 1.00 1.70 H new ATOM 1335 N ARG A 84 -11.222 -14.231 -4.037 1.00 1.31 N ATOM 1336 CA ARG A 84 -11.245 -14.671 -2.639 1.00 1.39 C ATOM 1337 C ARG A 84 -11.081 -13.562 -1.593 1.00 1.58 C ATOM 1338 O ARG A 84 -11.606 -13.731 -0.495 1.00 1.80 O ATOM 1339 CB ARG A 84 -10.194 -15.772 -2.440 1.00 1.60 C ATOM 1340 CG ARG A 84 -10.506 -16.612 -1.189 1.00 2.57 C ATOM 1341 CD ARG A 84 -9.694 -17.905 -1.145 1.00 2.88 C ATOM 1342 NE ARG A 84 -10.055 -18.802 -2.255 1.00 2.71 N ATOM 1343 CZ ARG A 84 -9.450 -19.940 -2.559 1.00 3.73 C ATOM 1344 NH1 ARG A 84 -8.511 -20.464 -1.807 1.00 4.90 N ATOM 1345 NH2 ARG A 84 -9.751 -20.606 -3.641 1.00 4.53 N ATOM 0 H ARG A 84 -10.693 -13.371 -4.181 1.00 1.31 H new ATOM 0 HA ARG A 84 -12.251 -15.052 -2.462 1.00 1.39 H new ATOM 0 HB2 ARG A 84 -10.167 -16.417 -3.318 1.00 1.60 H new ATOM 0 HB3 ARG A 84 -9.205 -15.323 -2.344 1.00 1.60 H new ATOM 0 HG2 ARG A 84 -10.296 -16.023 -0.296 1.00 2.57 H new ATOM 0 HG3 ARG A 84 -11.569 -16.852 -1.170 1.00 2.57 H new ATOM 0 HD2 ARG A 84 -8.631 -17.671 -1.195 1.00 2.88 H new ATOM 0 HD3 ARG A 84 -9.864 -18.412 -0.195 1.00 2.88 H new ATOM 0 HE ARG A 84 -10.841 -18.522 -2.842 1.00 2.71 H new ATOM 0 HH11 ARG A 84 -8.221 -19.992 -0.950 1.00 4.90 H new ATOM 0 HH12 ARG A 84 -8.071 -21.343 -2.079 1.00 4.90 H new ATOM 0 HH21 ARG A 84 -10.467 -20.252 -4.275 1.00 4.53 H new ATOM 0 HH22 ARG A 84 -9.270 -21.480 -3.852 1.00 4.53 H new ATOM 1359 N ASP A 85 -10.437 -12.434 -1.888 1.00 1.19 N ATOM 1360 CA ASP A 85 -10.303 -11.308 -0.950 1.00 1.18 C ATOM 1361 C ASP A 85 -11.236 -10.146 -1.350 1.00 1.24 C ATOM 1362 O ASP A 85 -10.806 -9.255 -2.081 1.00 1.39 O ATOM 1363 CB ASP A 85 -8.816 -10.876 -0.894 1.00 1.29 C ATOM 1364 CG ASP A 85 -8.436 -10.127 0.385 1.00 1.69 C ATOM 1365 OD1 ASP A 85 -9.256 -10.112 1.332 1.00 2.84 O ATOM 1366 OD2 ASP A 85 -7.272 -9.669 0.503 1.00 2.21 O ATOM 0 H ASP A 85 -9.989 -12.269 -2.789 1.00 1.19 H new ATOM 0 HA ASP A 85 -10.609 -11.618 0.049 1.00 1.18 H new ATOM 0 HB2 ASP A 85 -8.187 -11.761 -0.985 1.00 1.29 H new ATOM 0 HB3 ASP A 85 -8.600 -10.241 -1.753 1.00 1.29 H new ATOM 1371 N PRO A 86 -12.537 -10.139 -0.975 1.00 1.07 N ATOM 1372 CA PRO A 86 -13.480 -9.105 -1.400 1.00 1.05 C ATOM 1373 C PRO A 86 -13.291 -7.814 -0.585 1.00 1.15 C ATOM 1374 O PRO A 86 -12.880 -7.881 0.577 1.00 1.09 O ATOM 1375 CB PRO A 86 -14.872 -9.718 -1.201 1.00 1.10 C ATOM 1376 CG PRO A 86 -14.661 -10.643 -0.010 1.00 1.11 C ATOM 1377 CD PRO A 86 -13.246 -11.174 -0.240 1.00 1.12 C ATOM 0 HA PRO A 86 -13.327 -8.813 -2.439 1.00 1.05 H new ATOM 0 HB2 PRO A 86 -15.624 -8.957 -0.995 1.00 1.10 H new ATOM 0 HB3 PRO A 86 -15.205 -10.264 -2.084 1.00 1.10 H new ATOM 0 HG2 PRO A 86 -14.744 -10.109 0.937 1.00 1.11 H new ATOM 0 HG3 PRO A 86 -15.396 -11.447 0.013 1.00 1.11 H new ATOM 0 HD2 PRO A 86 -12.751 -11.386 0.708 1.00 1.12 H new ATOM 0 HD3 PRO A 86 -13.267 -12.106 -0.804 1.00 1.12 H new ATOM 1385 N PRO A 87 -13.639 -6.633 -1.143 1.00 0.80 N ATOM 1386 CA PRO A 87 -13.267 -5.340 -0.566 1.00 0.92 C ATOM 1387 C PRO A 87 -13.805 -5.157 0.856 1.00 1.13 C ATOM 1388 O PRO A 87 -13.122 -4.607 1.708 1.00 1.07 O ATOM 1389 CB PRO A 87 -13.839 -4.283 -1.518 1.00 0.91 C ATOM 1390 CG PRO A 87 -14.937 -5.004 -2.294 1.00 0.87 C ATOM 1391 CD PRO A 87 -14.434 -6.446 -2.350 1.00 0.82 C ATOM 0 HA PRO A 87 -12.184 -5.258 -0.470 1.00 0.92 H new ATOM 0 HB2 PRO A 87 -14.239 -3.431 -0.968 1.00 0.91 H new ATOM 0 HB3 PRO A 87 -13.070 -3.898 -2.188 1.00 0.91 H new ATOM 0 HG2 PRO A 87 -15.900 -4.933 -1.789 1.00 0.87 H new ATOM 0 HG3 PRO A 87 -15.068 -4.584 -3.291 1.00 0.87 H new ATOM 0 HD2 PRO A 87 -15.266 -7.150 -2.384 1.00 0.82 H new ATOM 0 HD3 PRO A 87 -13.835 -6.617 -3.244 1.00 0.82 H new ATOM 1399 N GLU A 88 -15.012 -5.654 1.119 1.00 0.67 N ATOM 1400 CA GLU A 88 -15.697 -5.534 2.402 1.00 0.80 C ATOM 1401 C GLU A 88 -15.062 -6.405 3.514 1.00 1.26 C ATOM 1402 O GLU A 88 -15.091 -6.024 4.681 1.00 1.56 O ATOM 1403 CB GLU A 88 -17.173 -5.835 2.087 1.00 1.05 C ATOM 1404 CG GLU A 88 -18.208 -5.307 3.086 1.00 1.66 C ATOM 1405 CD GLU A 88 -18.630 -6.312 4.154 1.00 2.50 C ATOM 1406 OE1 GLU A 88 -18.429 -7.537 3.992 1.00 3.24 O ATOM 1407 OE2 GLU A 88 -19.144 -5.848 5.192 1.00 3.47 O ATOM 0 H GLU A 88 -15.555 -6.166 0.424 1.00 0.67 H new ATOM 0 HA GLU A 88 -15.603 -4.538 2.835 1.00 0.80 H new ATOM 0 HB2 GLU A 88 -17.404 -5.420 1.106 1.00 1.05 H new ATOM 0 HB3 GLU A 88 -17.292 -6.916 2.012 1.00 1.05 H new ATOM 0 HG2 GLU A 88 -17.801 -4.423 3.578 1.00 1.66 H new ATOM 0 HG3 GLU A 88 -19.093 -4.987 2.537 1.00 1.66 H new ATOM 1414 N VAL A 89 -14.425 -7.535 3.166 1.00 1.01 N ATOM 1415 CA VAL A 89 -13.555 -8.321 4.074 1.00 1.14 C ATOM 1416 C VAL A 89 -12.189 -7.649 4.264 1.00 1.41 C ATOM 1417 O VAL A 89 -11.744 -7.478 5.402 1.00 1.52 O ATOM 1418 CB VAL A 89 -13.377 -9.776 3.582 1.00 1.15 C ATOM 1419 CG1 VAL A 89 -12.349 -10.574 4.402 1.00 1.34 C ATOM 1420 CG2 VAL A 89 -14.723 -10.519 3.670 1.00 1.31 C ATOM 0 H VAL A 89 -14.497 -7.939 2.232 1.00 1.01 H new ATOM 0 HA VAL A 89 -14.057 -8.353 5.041 1.00 1.14 H new ATOM 0 HB VAL A 89 -13.015 -9.708 2.556 1.00 1.15 H new ATOM 0 HG11 VAL A 89 -12.273 -11.586 4.004 1.00 1.34 H new ATOM 0 HG12 VAL A 89 -11.376 -10.086 4.340 1.00 1.34 H new ATOM 0 HG13 VAL A 89 -12.668 -10.617 5.443 1.00 1.34 H new ATOM 0 HG21 VAL A 89 -14.596 -11.544 3.323 1.00 1.31 H new ATOM 0 HG22 VAL A 89 -15.068 -10.526 4.704 1.00 1.31 H new ATOM 0 HG23 VAL A 89 -15.459 -10.013 3.045 1.00 1.31 H new ATOM 1430 N ALA A 90 -11.536 -7.270 3.155 1.00 1.09 N ATOM 1431 CA ALA A 90 -10.210 -6.653 3.154 1.00 1.08 C ATOM 1432 C ALA A 90 -10.166 -5.367 4.002 1.00 1.18 C ATOM 1433 O ALA A 90 -9.200 -5.148 4.729 1.00 1.23 O ATOM 1434 CB ALA A 90 -9.800 -6.423 1.691 1.00 1.06 C ATOM 0 H ALA A 90 -11.925 -7.388 2.220 1.00 1.09 H new ATOM 0 HA ALA A 90 -9.488 -7.317 3.628 1.00 1.08 H new ATOM 0 HB1 ALA A 90 -8.813 -5.963 1.658 1.00 1.06 H new ATOM 0 HB2 ALA A 90 -9.773 -7.378 1.166 1.00 1.06 H new ATOM 0 HB3 ALA A 90 -10.523 -5.765 1.210 1.00 1.06 H new ATOM 1440 N ASP A 91 -11.214 -4.538 3.973 1.00 0.89 N ATOM 1441 CA ASP A 91 -11.266 -3.299 4.757 1.00 0.83 C ATOM 1442 C ASP A 91 -11.213 -3.540 6.270 1.00 1.18 C ATOM 1443 O ASP A 91 -10.434 -2.876 6.945 1.00 1.19 O ATOM 1444 CB ASP A 91 -12.492 -2.463 4.379 1.00 0.90 C ATOM 1445 CG ASP A 91 -12.366 -1.051 4.964 1.00 0.98 C ATOM 1446 OD1 ASP A 91 -11.485 -0.284 4.513 1.00 1.78 O ATOM 1447 OD2 ASP A 91 -13.108 -0.711 5.912 1.00 1.75 O ATOM 0 H ASP A 91 -12.047 -4.705 3.408 1.00 0.89 H new ATOM 0 HA ASP A 91 -10.367 -2.738 4.504 1.00 0.83 H new ATOM 0 HB2 ASP A 91 -12.585 -2.409 3.294 1.00 0.90 H new ATOM 0 HB3 ASP A 91 -13.397 -2.941 4.753 1.00 0.90 H new ATOM 1452 N ARG A 92 -11.955 -4.521 6.805 1.00 1.08 N ATOM 1453 CA ARG A 92 -11.915 -4.857 8.239 1.00 1.22 C ATOM 1454 C ARG A 92 -10.503 -5.187 8.707 1.00 1.54 C ATOM 1455 O ARG A 92 -10.066 -4.760 9.772 1.00 1.84 O ATOM 1456 CB ARG A 92 -12.789 -6.079 8.539 1.00 1.41 C ATOM 1457 CG ARG A 92 -14.255 -5.777 8.267 1.00 1.92 C ATOM 1458 CD ARG A 92 -15.165 -6.894 8.803 1.00 1.75 C ATOM 1459 NE ARG A 92 -15.571 -7.828 7.743 1.00 2.13 N ATOM 1460 CZ ARG A 92 -16.633 -7.672 6.962 1.00 2.86 C ATOM 1461 NH1 ARG A 92 -17.444 -6.654 7.110 1.00 3.09 N ATOM 1462 NH2 ARG A 92 -16.902 -8.545 6.018 1.00 4.34 N ATOM 0 H ARG A 92 -12.595 -5.101 6.262 1.00 1.08 H new ATOM 0 HA ARG A 92 -12.283 -3.977 8.766 1.00 1.22 H new ATOM 0 HB2 ARG A 92 -12.467 -6.921 7.926 1.00 1.41 H new ATOM 0 HB3 ARG A 92 -12.662 -6.376 9.580 1.00 1.41 H new ATOM 0 HG2 ARG A 92 -14.526 -4.830 8.733 1.00 1.92 H new ATOM 0 HG3 ARG A 92 -14.412 -5.661 7.195 1.00 1.92 H new ATOM 0 HD2 ARG A 92 -14.644 -7.441 9.588 1.00 1.75 H new ATOM 0 HD3 ARG A 92 -16.052 -6.453 9.257 1.00 1.75 H new ATOM 0 HE ARG A 92 -14.994 -8.657 7.597 1.00 2.13 H new ATOM 0 HH11 ARG A 92 -17.265 -5.961 7.837 1.00 3.09 H new ATOM 0 HH12 ARG A 92 -18.254 -6.554 6.498 1.00 3.09 H new ATOM 0 HH21 ARG A 92 -16.293 -9.351 5.880 1.00 4.34 H new ATOM 0 HH22 ARG A 92 -17.720 -8.417 5.423 1.00 4.34 H new ATOM 1476 N TYR A 93 -9.798 -5.959 7.896 1.00 1.07 N ATOM 1477 CA TYR A 93 -8.407 -6.364 8.130 1.00 0.97 C ATOM 1478 C TYR A 93 -7.438 -5.162 8.138 1.00 1.23 C ATOM 1479 O TYR A 93 -6.557 -5.083 8.998 1.00 1.42 O ATOM 1480 CB TYR A 93 -8.061 -7.396 7.047 1.00 0.94 C ATOM 1481 CG TYR A 93 -6.861 -8.290 7.285 1.00 1.05 C ATOM 1482 CD1 TYR A 93 -5.560 -7.748 7.353 1.00 2.35 C ATOM 1483 CD2 TYR A 93 -7.039 -9.687 7.262 1.00 2.02 C ATOM 1484 CE1 TYR A 93 -4.443 -8.601 7.310 1.00 2.51 C ATOM 1485 CE2 TYR A 93 -5.926 -10.542 7.195 1.00 2.19 C ATOM 1486 CZ TYR A 93 -4.625 -9.998 7.174 1.00 1.64 C ATOM 1487 OH TYR A 93 -3.563 -10.817 6.950 1.00 2.30 O ATOM 0 H TYR A 93 -10.182 -6.336 7.030 1.00 1.07 H new ATOM 0 HA TYR A 93 -8.298 -6.805 9.121 1.00 0.97 H new ATOM 0 HB2 TYR A 93 -8.932 -8.035 6.902 1.00 0.94 H new ATOM 0 HB3 TYR A 93 -7.900 -6.860 6.112 1.00 0.94 H new ATOM 0 HD1 TYR A 93 -5.422 -6.680 7.438 1.00 2.35 H new ATOM 0 HD2 TYR A 93 -8.035 -10.103 7.296 1.00 2.02 H new ATOM 0 HE1 TYR A 93 -3.447 -8.190 7.381 1.00 2.51 H new ATOM 0 HE2 TYR A 93 -6.066 -11.612 7.160 1.00 2.19 H new ATOM 0 HH TYR A 93 -3.824 -11.529 6.329 1.00 2.30 H new ATOM 1497 N ALA A 94 -7.637 -4.190 7.245 1.00 0.82 N ATOM 1498 CA ALA A 94 -6.874 -2.939 7.231 1.00 0.77 C ATOM 1499 C ALA A 94 -7.195 -2.061 8.465 1.00 1.03 C ATOM 1500 O ALA A 94 -6.293 -1.619 9.177 1.00 1.08 O ATOM 1501 CB ALA A 94 -7.163 -2.242 5.894 1.00 0.79 C ATOM 0 H ALA A 94 -8.337 -4.249 6.506 1.00 0.82 H new ATOM 0 HA ALA A 94 -5.804 -3.134 7.306 1.00 0.77 H new ATOM 0 HB1 ALA A 94 -6.611 -1.303 5.846 1.00 0.79 H new ATOM 0 HB2 ALA A 94 -6.853 -2.888 5.073 1.00 0.79 H new ATOM 0 HB3 ALA A 94 -8.231 -2.039 5.813 1.00 0.79 H new ATOM 1507 N LYS A 95 -8.484 -1.890 8.775 1.00 0.89 N ATOM 1508 CA LYS A 95 -8.989 -1.162 9.948 1.00 0.98 C ATOM 1509 C LYS A 95 -8.525 -1.761 11.287 1.00 1.24 C ATOM 1510 O LYS A 95 -8.413 -1.021 12.267 1.00 1.46 O ATOM 1511 CB LYS A 95 -10.533 -1.153 9.918 1.00 1.13 C ATOM 1512 CG LYS A 95 -11.194 -0.337 8.795 1.00 1.18 C ATOM 1513 CD LYS A 95 -11.024 1.176 8.963 1.00 1.35 C ATOM 1514 CE LYS A 95 -11.896 1.979 7.986 1.00 1.66 C ATOM 1515 NZ LYS A 95 -11.672 1.577 6.579 1.00 1.51 N ATOM 0 H LYS A 95 -9.234 -2.268 8.196 1.00 0.89 H new ATOM 0 HA LYS A 95 -8.582 -0.153 9.887 1.00 0.98 H new ATOM 0 HB2 LYS A 95 -10.878 -2.184 9.839 1.00 1.13 H new ATOM 0 HB3 LYS A 95 -10.890 -0.769 10.874 1.00 1.13 H new ATOM 0 HG2 LYS A 95 -10.769 -0.639 7.838 1.00 1.18 H new ATOM 0 HG3 LYS A 95 -12.257 -0.574 8.761 1.00 1.18 H new ATOM 0 HD2 LYS A 95 -11.278 1.455 9.985 1.00 1.35 H new ATOM 0 HD3 LYS A 95 -9.977 1.440 8.811 1.00 1.35 H new ATOM 0 HE2 LYS A 95 -12.947 1.839 8.240 1.00 1.66 H new ATOM 0 HE3 LYS A 95 -11.680 3.042 8.098 1.00 1.66 H new ATOM 0 HZ1 LYS A 95 -12.075 2.296 5.944 1.00 1.51 H new ATOM 0 HZ2 LYS A 95 -10.651 1.491 6.401 1.00 1.51 H new ATOM 0 HZ3 LYS A 95 -12.133 0.662 6.402 1.00 1.51 H new ATOM 1529 N ALA A 96 -8.233 -3.069 11.343 1.00 1.15 N ATOM 1530 CA ALA A 96 -7.839 -3.777 12.564 1.00 1.24 C ATOM 1531 C ALA A 96 -6.482 -3.308 13.107 1.00 1.42 C ATOM 1532 O ALA A 96 -6.223 -3.398 14.305 1.00 1.62 O ATOM 1533 CB ALA A 96 -7.816 -5.279 12.260 1.00 1.31 C ATOM 0 H ALA A 96 -8.266 -3.674 10.522 1.00 1.15 H new ATOM 0 HA ALA A 96 -8.566 -3.556 13.346 1.00 1.24 H new ATOM 0 HB1 ALA A 96 -7.525 -5.827 13.156 1.00 1.31 H new ATOM 0 HB2 ALA A 96 -8.808 -5.601 11.944 1.00 1.31 H new ATOM 0 HB3 ALA A 96 -7.099 -5.478 11.464 1.00 1.31 H new ATOM 1539 N PHE A 97 -5.639 -2.767 12.225 1.00 1.24 N ATOM 1540 CA PHE A 97 -4.409 -2.093 12.620 1.00 1.27 C ATOM 1541 C PHE A 97 -4.653 -0.670 13.102 1.00 2.19 C ATOM 1542 O PHE A 97 -4.105 -0.280 14.134 1.00 2.54 O ATOM 1543 CB PHE A 97 -3.421 -2.166 11.455 1.00 1.28 C ATOM 1544 CG PHE A 97 -2.766 -3.519 11.494 1.00 1.36 C ATOM 1545 CD1 PHE A 97 -1.754 -3.735 12.443 1.00 2.33 C ATOM 1546 CD2 PHE A 97 -3.283 -4.590 10.744 1.00 1.95 C ATOM 1547 CE1 PHE A 97 -1.261 -5.033 12.650 1.00 2.40 C ATOM 1548 CE2 PHE A 97 -2.778 -5.885 10.947 1.00 1.78 C ATOM 1549 CZ PHE A 97 -1.775 -6.107 11.905 1.00 1.50 C ATOM 0 H PHE A 97 -5.794 -2.786 11.217 1.00 1.24 H new ATOM 0 HA PHE A 97 -3.978 -2.604 13.481 1.00 1.27 H new ATOM 0 HB2 PHE A 97 -3.937 -2.018 10.506 1.00 1.28 H new ATOM 0 HB3 PHE A 97 -2.674 -1.377 11.538 1.00 1.28 H new ATOM 0 HD1 PHE A 97 -1.357 -2.907 13.011 1.00 2.33 H new ATOM 0 HD2 PHE A 97 -4.063 -4.418 10.017 1.00 1.95 H new ATOM 0 HE1 PHE A 97 -0.486 -5.206 13.382 1.00 2.40 H new ATOM 0 HE2 PHE A 97 -3.161 -6.711 10.366 1.00 1.78 H new ATOM 0 HZ PHE A 97 -1.398 -7.106 12.069 1.00 1.50 H new ATOM 1559 N HIS A 98 -5.467 0.100 12.375 1.00 1.21 N ATOM 1560 CA HIS A 98 -5.823 1.479 12.717 1.00 1.17 C ATOM 1561 C HIS A 98 -6.984 1.974 11.819 1.00 1.30 C ATOM 1562 O HIS A 98 -6.995 1.626 10.635 1.00 1.38 O ATOM 1563 CB HIS A 98 -4.559 2.354 12.571 1.00 1.29 C ATOM 1564 CG HIS A 98 -4.696 3.692 13.246 1.00 1.92 C ATOM 1565 ND1 HIS A 98 -5.087 4.885 12.673 1.00 2.59 N ATOM 1566 CD2 HIS A 98 -4.614 3.913 14.596 1.00 2.57 C ATOM 1567 CE1 HIS A 98 -5.274 5.777 13.656 1.00 3.36 C ATOM 1568 NE2 HIS A 98 -5.000 5.228 14.847 1.00 3.42 N ATOM 0 H HIS A 98 -5.906 -0.225 11.514 1.00 1.21 H new ATOM 0 HA HIS A 98 -6.177 1.542 13.746 1.00 1.17 H new ATOM 0 HB2 HIS A 98 -3.705 1.825 12.994 1.00 1.29 H new ATOM 0 HB3 HIS A 98 -4.348 2.506 11.512 1.00 1.29 H new ATOM 0 HD2 HIS A 98 -4.304 3.192 15.338 1.00 2.57 H new ATOM 0 HE1 HIS A 98 -5.600 6.796 13.508 1.00 3.36 H new ATOM 0 HE2 HIS A 98 -5.062 5.683 15.758 1.00 3.42 H new ATOM 1577 N PRO A 99 -7.941 2.796 12.304 1.00 1.08 N ATOM 1578 CA PRO A 99 -9.114 3.198 11.518 1.00 1.13 C ATOM 1579 C PRO A 99 -8.809 4.057 10.279 1.00 1.34 C ATOM 1580 O PRO A 99 -9.588 4.045 9.330 1.00 1.30 O ATOM 1581 CB PRO A 99 -10.044 3.925 12.499 1.00 1.36 C ATOM 1582 CG PRO A 99 -9.116 4.379 13.623 1.00 1.33 C ATOM 1583 CD PRO A 99 -8.098 3.243 13.681 1.00 1.15 C ATOM 0 HA PRO A 99 -9.573 2.309 11.085 1.00 1.13 H new ATOM 0 HB2 PRO A 99 -10.540 4.772 12.025 1.00 1.36 H new ATOM 0 HB3 PRO A 99 -10.827 3.264 12.871 1.00 1.36 H new ATOM 0 HG2 PRO A 99 -8.645 5.336 13.400 1.00 1.33 H new ATOM 0 HG3 PRO A 99 -9.648 4.497 14.567 1.00 1.33 H new ATOM 0 HD2 PRO A 99 -7.149 3.586 14.094 1.00 1.15 H new ATOM 0 HD3 PRO A 99 -8.449 2.433 14.320 1.00 1.15 H new ATOM 1591 N SER A 100 -7.678 4.770 10.248 1.00 1.17 N ATOM 1592 CA SER A 100 -7.207 5.591 9.109 1.00 1.28 C ATOM 1593 C SER A 100 -6.761 4.796 7.858 1.00 1.27 C ATOM 1594 O SER A 100 -6.202 5.375 6.923 1.00 1.40 O ATOM 1595 CB SER A 100 -6.045 6.492 9.566 1.00 1.55 C ATOM 1596 OG SER A 100 -6.263 7.011 10.866 1.00 2.32 O ATOM 0 H SER A 100 -7.037 4.797 11.041 1.00 1.17 H new ATOM 0 HA SER A 100 -8.077 6.170 8.800 1.00 1.28 H new ATOM 0 HB2 SER A 100 -5.116 5.922 9.553 1.00 1.55 H new ATOM 0 HB3 SER A 100 -5.924 7.315 8.861 1.00 1.55 H new ATOM 0 HG SER A 100 -5.565 7.665 11.078 1.00 2.32 H new ATOM 1602 N PHE A 101 -6.955 3.473 7.865 1.00 0.99 N ATOM 1603 CA PHE A 101 -6.581 2.539 6.801 1.00 0.91 C ATOM 1604 C PHE A 101 -7.807 2.164 5.950 1.00 1.78 C ATOM 1605 O PHE A 101 -8.917 2.022 6.464 1.00 2.23 O ATOM 1606 CB PHE A 101 -5.968 1.268 7.422 1.00 1.01 C ATOM 1607 CG PHE A 101 -4.544 1.356 7.956 1.00 1.39 C ATOM 1608 CD1 PHE A 101 -4.153 2.367 8.855 1.00 2.67 C ATOM 1609 CD2 PHE A 101 -3.594 0.392 7.562 1.00 1.82 C ATOM 1610 CE1 PHE A 101 -2.816 2.475 9.278 1.00 2.94 C ATOM 1611 CE2 PHE A 101 -2.264 0.477 8.011 1.00 1.90 C ATOM 1612 CZ PHE A 101 -1.869 1.533 8.847 1.00 2.16 C ATOM 0 H PHE A 101 -7.400 3.002 8.653 1.00 0.99 H new ATOM 0 HA PHE A 101 -5.847 3.021 6.155 1.00 0.91 H new ATOM 0 HB2 PHE A 101 -6.614 0.950 8.240 1.00 1.01 H new ATOM 0 HB3 PHE A 101 -5.996 0.480 6.669 1.00 1.01 H new ATOM 0 HD1 PHE A 101 -4.888 3.067 9.224 1.00 2.67 H new ATOM 0 HD2 PHE A 101 -3.890 -0.417 6.911 1.00 1.82 H new ATOM 0 HE1 PHE A 101 -2.519 3.281 9.933 1.00 2.94 H new ATOM 0 HE2 PHE A 101 -1.545 -0.272 7.712 1.00 1.90 H new ATOM 0 HZ PHE A 101 -0.838 1.621 9.158 1.00 2.16 H new ATOM 1622 N LEU A 102 -7.599 1.958 4.648 1.00 0.73 N ATOM 1623 CA LEU A 102 -8.614 1.484 3.693 1.00 0.66 C ATOM 1624 C LEU A 102 -8.162 0.146 3.087 1.00 1.02 C ATOM 1625 O LEU A 102 -7.011 0.053 2.655 1.00 1.29 O ATOM 1626 CB LEU A 102 -8.781 2.577 2.611 1.00 0.70 C ATOM 1627 CG LEU A 102 -10.137 2.699 1.888 1.00 0.83 C ATOM 1628 CD1 LEU A 102 -10.554 1.431 1.134 1.00 1.59 C ATOM 1629 CD2 LEU A 102 -11.255 3.142 2.846 1.00 2.14 C ATOM 0 H LEU A 102 -6.692 2.120 4.211 1.00 0.73 H new ATOM 0 HA LEU A 102 -9.573 1.311 4.181 1.00 0.66 H new ATOM 0 HB2 LEU A 102 -8.566 3.539 3.076 1.00 0.70 H new ATOM 0 HB3 LEU A 102 -8.015 2.412 1.853 1.00 0.70 H new ATOM 0 HG LEU A 102 -9.987 3.474 1.136 1.00 0.83 H new ATOM 0 HD11 LEU A 102 -11.518 1.595 0.652 1.00 1.59 H new ATOM 0 HD12 LEU A 102 -9.805 1.194 0.378 1.00 1.59 H new ATOM 0 HD13 LEU A 102 -10.636 0.601 1.836 1.00 1.59 H new ATOM 0 HD21 LEU A 102 -12.195 3.216 2.299 1.00 2.14 H new ATOM 0 HD22 LEU A 102 -11.359 2.410 3.647 1.00 2.14 H new ATOM 0 HD23 LEU A 102 -11.005 4.114 3.272 1.00 2.14 H new ATOM 1641 N GLY A 103 -9.045 -0.856 3.015 1.00 0.76 N ATOM 1642 CA GLY A 103 -8.809 -2.109 2.278 1.00 0.87 C ATOM 1643 C GLY A 103 -9.728 -2.214 1.066 1.00 1.01 C ATOM 1644 O GLY A 103 -10.926 -1.952 1.170 1.00 1.16 O ATOM 0 H GLY A 103 -9.956 -0.822 3.472 1.00 0.76 H new ATOM 0 HA2 GLY A 103 -7.769 -2.154 1.955 1.00 0.87 H new ATOM 0 HA3 GLY A 103 -8.975 -2.960 2.939 1.00 0.87 H new ATOM 1648 N LEU A 104 -9.169 -2.559 -0.101 1.00 0.93 N ATOM 1649 CA LEU A 104 -9.869 -2.443 -1.368 1.00 1.02 C ATOM 1650 C LEU A 104 -9.549 -3.635 -2.288 1.00 1.30 C ATOM 1651 O LEU A 104 -8.456 -4.205 -2.264 1.00 1.53 O ATOM 1652 CB LEU A 104 -9.622 -1.002 -1.880 1.00 1.32 C ATOM 1653 CG LEU A 104 -9.071 -0.794 -3.291 1.00 1.70 C ATOM 1654 CD1 LEU A 104 -9.452 0.628 -3.735 1.00 1.67 C ATOM 1655 CD2 LEU A 104 -7.550 -0.929 -3.319 1.00 3.66 C ATOM 0 H LEU A 104 -8.220 -2.925 -0.184 1.00 0.93 H new ATOM 0 HA LEU A 104 -10.952 -2.540 -1.297 1.00 1.02 H new ATOM 0 HB2 LEU A 104 -10.568 -0.465 -1.815 1.00 1.32 H new ATOM 0 HB3 LEU A 104 -8.934 -0.521 -1.185 1.00 1.32 H new ATOM 0 HG LEU A 104 -9.489 -1.550 -3.956 1.00 1.70 H new ATOM 0 HD11 LEU A 104 -9.073 0.809 -4.741 1.00 1.67 H new ATOM 0 HD12 LEU A 104 -10.537 0.732 -3.732 1.00 1.67 H new ATOM 0 HD13 LEU A 104 -9.017 1.353 -3.047 1.00 1.67 H new ATOM 0 HD21 LEU A 104 -7.190 -0.776 -4.336 1.00 3.66 H new ATOM 0 HD22 LEU A 104 -7.106 -0.182 -2.660 1.00 3.66 H new ATOM 0 HD23 LEU A 104 -7.267 -1.926 -2.980 1.00 3.66 H new ATOM 1667 N SER A 105 -10.560 -4.118 -3.002 1.00 0.72 N ATOM 1668 CA SER A 105 -10.481 -5.227 -3.953 1.00 0.77 C ATOM 1669 C SER A 105 -11.529 -5.045 -5.052 1.00 0.90 C ATOM 1670 O SER A 105 -12.650 -4.615 -4.761 1.00 1.19 O ATOM 1671 CB SER A 105 -10.713 -6.551 -3.241 1.00 0.84 C ATOM 1672 OG SER A 105 -10.323 -7.628 -4.062 1.00 1.06 O ATOM 0 H SER A 105 -11.501 -3.731 -2.932 1.00 0.72 H new ATOM 0 HA SER A 105 -9.486 -5.234 -4.399 1.00 0.77 H new ATOM 0 HB2 SER A 105 -10.148 -6.573 -2.309 1.00 0.84 H new ATOM 0 HB3 SER A 105 -11.766 -6.649 -2.978 1.00 0.84 H new ATOM 0 HG SER A 105 -10.321 -8.456 -3.537 1.00 1.06 H new ATOM 1678 N GLY A 106 -11.205 -5.398 -6.295 1.00 0.80 N ATOM 1679 CA GLY A 106 -12.091 -5.172 -7.435 1.00 0.89 C ATOM 1680 C GLY A 106 -11.923 -6.168 -8.557 1.00 1.02 C ATOM 1681 O GLY A 106 -11.349 -7.236 -8.383 1.00 1.19 O ATOM 0 H GLY A 106 -10.323 -5.848 -6.539 1.00 0.80 H new ATOM 0 HA2 GLY A 106 -13.124 -5.202 -7.089 1.00 0.89 H new ATOM 0 HA3 GLY A 106 -11.914 -4.169 -7.825 1.00 0.89 H new ATOM 1685 N SER A 107 -12.470 -5.826 -9.712 1.00 0.95 N ATOM 1686 CA SER A 107 -12.336 -6.613 -10.930 1.00 1.13 C ATOM 1687 C SER A 107 -10.859 -6.910 -11.276 1.00 1.31 C ATOM 1688 O SER A 107 -10.002 -6.024 -11.152 1.00 1.25 O ATOM 1689 CB SER A 107 -13.068 -5.895 -12.077 1.00 1.28 C ATOM 1690 OG SER A 107 -12.651 -4.550 -12.244 1.00 1.65 O ATOM 0 H SER A 107 -13.028 -4.981 -9.833 1.00 0.95 H new ATOM 0 HA SER A 107 -12.799 -7.587 -10.771 1.00 1.13 H new ATOM 0 HB2 SER A 107 -12.899 -6.440 -13.006 1.00 1.28 H new ATOM 0 HB3 SER A 107 -14.141 -5.916 -11.885 1.00 1.28 H new ATOM 0 HG SER A 107 -12.968 -4.013 -11.488 1.00 1.65 H new ATOM 1696 N PRO A 108 -10.524 -8.135 -11.739 1.00 1.31 N ATOM 1697 CA PRO A 108 -9.147 -8.502 -12.073 1.00 1.35 C ATOM 1698 C PRO A 108 -8.584 -7.605 -13.181 1.00 1.43 C ATOM 1699 O PRO A 108 -7.403 -7.269 -13.149 1.00 1.23 O ATOM 1700 CB PRO A 108 -9.189 -9.982 -12.470 1.00 1.62 C ATOM 1701 CG PRO A 108 -10.634 -10.202 -12.914 1.00 1.72 C ATOM 1702 CD PRO A 108 -11.423 -9.248 -12.017 1.00 1.52 C ATOM 0 HA PRO A 108 -8.474 -8.357 -11.228 1.00 1.35 H new ATOM 0 HB2 PRO A 108 -8.486 -10.200 -13.274 1.00 1.62 H new ATOM 0 HB3 PRO A 108 -8.926 -10.628 -11.633 1.00 1.62 H new ATOM 0 HG2 PRO A 108 -10.771 -9.968 -13.970 1.00 1.72 H new ATOM 0 HG3 PRO A 108 -10.945 -11.237 -12.774 1.00 1.72 H new ATOM 0 HD2 PRO A 108 -12.330 -8.904 -12.513 1.00 1.52 H new ATOM 0 HD3 PRO A 108 -11.732 -9.742 -11.096 1.00 1.52 H new ATOM 1710 N GLU A 109 -9.451 -7.136 -14.087 1.00 1.40 N ATOM 1711 CA GLU A 109 -9.176 -6.067 -15.046 1.00 1.43 C ATOM 1712 C GLU A 109 -8.586 -4.822 -14.362 1.00 1.43 C ATOM 1713 O GLU A 109 -7.470 -4.417 -14.669 1.00 1.65 O ATOM 1714 CB GLU A 109 -10.463 -5.700 -15.822 1.00 1.68 C ATOM 1715 CG GLU A 109 -11.305 -6.894 -16.305 1.00 2.13 C ATOM 1716 CD GLU A 109 -10.452 -7.930 -17.026 1.00 2.82 C ATOM 1717 OE1 GLU A 109 -9.962 -7.626 -18.135 1.00 3.55 O ATOM 1718 OE2 GLU A 109 -10.189 -9.002 -16.439 1.00 3.77 O ATOM 0 H GLU A 109 -10.397 -7.507 -14.173 1.00 1.40 H new ATOM 0 HA GLU A 109 -8.429 -6.437 -15.749 1.00 1.43 H new ATOM 0 HB2 GLU A 109 -11.085 -5.073 -15.184 1.00 1.68 H new ATOM 0 HB3 GLU A 109 -10.186 -5.098 -16.688 1.00 1.68 H new ATOM 0 HG2 GLU A 109 -11.799 -7.359 -15.452 1.00 2.13 H new ATOM 0 HG3 GLU A 109 -12.089 -6.539 -16.974 1.00 2.13 H new ATOM 1725 N ALA A 110 -9.284 -4.259 -13.370 1.00 1.15 N ATOM 1726 CA ALA A 110 -8.799 -3.129 -12.578 1.00 1.13 C ATOM 1727 C ALA A 110 -7.487 -3.455 -11.836 1.00 1.33 C ATOM 1728 O ALA A 110 -6.552 -2.647 -11.853 1.00 1.41 O ATOM 1729 CB ALA A 110 -9.941 -2.715 -11.640 1.00 1.10 C ATOM 0 H ALA A 110 -10.212 -4.580 -13.093 1.00 1.15 H new ATOM 0 HA ALA A 110 -8.535 -2.292 -13.224 1.00 1.13 H new ATOM 0 HB1 ALA A 110 -9.621 -1.872 -11.028 1.00 1.10 H new ATOM 0 HB2 ALA A 110 -10.810 -2.426 -12.231 1.00 1.10 H new ATOM 0 HB3 ALA A 110 -10.203 -3.553 -10.994 1.00 1.10 H new ATOM 1735 N VAL A 111 -7.375 -4.666 -11.273 1.00 1.21 N ATOM 1736 CA VAL A 111 -6.145 -5.139 -10.592 1.00 1.24 C ATOM 1737 C VAL A 111 -4.917 -5.158 -11.532 1.00 1.47 C ATOM 1738 O VAL A 111 -3.810 -4.856 -11.075 1.00 1.42 O ATOM 1739 CB VAL A 111 -6.351 -6.512 -9.898 1.00 1.24 C ATOM 1740 CG1 VAL A 111 -5.068 -7.060 -9.251 1.00 1.64 C ATOM 1741 CG2 VAL A 111 -7.419 -6.427 -8.794 1.00 1.31 C ATOM 0 H VAL A 111 -8.131 -5.351 -11.273 1.00 1.21 H new ATOM 0 HA VAL A 111 -5.933 -4.410 -9.810 1.00 1.24 H new ATOM 0 HB VAL A 111 -6.666 -7.185 -10.695 1.00 1.24 H new ATOM 0 HG11 VAL A 111 -5.279 -8.022 -8.783 1.00 1.64 H new ATOM 0 HG12 VAL A 111 -4.301 -7.189 -10.015 1.00 1.64 H new ATOM 0 HG13 VAL A 111 -4.713 -6.359 -8.496 1.00 1.64 H new ATOM 0 HG21 VAL A 111 -7.539 -7.405 -8.328 1.00 1.31 H new ATOM 0 HG22 VAL A 111 -7.108 -5.702 -8.042 1.00 1.31 H new ATOM 0 HG23 VAL A 111 -8.368 -6.113 -9.229 1.00 1.31 H new ATOM 1751 N ARG A 112 -5.080 -5.429 -12.840 1.00 1.20 N ATOM 1752 CA ARG A 112 -3.992 -5.264 -13.821 1.00 1.13 C ATOM 1753 C ARG A 112 -3.502 -3.815 -13.884 1.00 1.20 C ATOM 1754 O ARG A 112 -2.298 -3.582 -13.744 1.00 1.25 O ATOM 1755 CB ARG A 112 -4.398 -5.658 -15.244 1.00 1.05 C ATOM 1756 CG ARG A 112 -4.716 -7.138 -15.444 1.00 2.05 C ATOM 1757 CD ARG A 112 -4.605 -7.446 -16.941 1.00 2.56 C ATOM 1758 NE ARG A 112 -5.576 -8.470 -17.358 1.00 4.02 N ATOM 1759 CZ ARG A 112 -6.823 -8.210 -17.730 1.00 5.24 C ATOM 1760 NH1 ARG A 112 -7.269 -6.992 -17.933 1.00 5.52 N ATOM 1761 NH2 ARG A 112 -7.683 -9.187 -17.886 1.00 6.82 N ATOM 0 H ARG A 112 -5.956 -5.764 -13.242 1.00 1.20 H new ATOM 0 HA ARG A 112 -3.204 -5.930 -13.469 1.00 1.13 H new ATOM 0 HB2 ARG A 112 -5.272 -5.073 -15.530 1.00 1.05 H new ATOM 0 HB3 ARG A 112 -3.593 -5.381 -15.924 1.00 1.05 H new ATOM 0 HG2 ARG A 112 -4.023 -7.757 -14.875 1.00 2.05 H new ATOM 0 HG3 ARG A 112 -5.718 -7.365 -15.081 1.00 2.05 H new ATOM 0 HD2 ARG A 112 -4.770 -6.533 -17.514 1.00 2.56 H new ATOM 0 HD3 ARG A 112 -3.595 -7.787 -17.169 1.00 2.56 H new ATOM 0 HE ARG A 112 -5.271 -9.443 -17.361 1.00 4.02 H new ATOM 0 HH11 ARG A 112 -6.647 -6.193 -17.805 1.00 5.52 H new ATOM 0 HH12 ARG A 112 -8.237 -6.844 -18.218 1.00 5.52 H new ATOM 0 HH21 ARG A 112 -7.395 -10.151 -17.721 1.00 6.82 H new ATOM 0 HH22 ARG A 112 -8.641 -8.983 -18.172 1.00 6.82 H new ATOM 1775 N GLU A 113 -4.407 -2.855 -14.075 1.00 1.02 N ATOM 1776 CA GLU A 113 -4.037 -1.466 -14.374 1.00 1.06 C ATOM 1777 C GLU A 113 -3.272 -0.810 -13.218 1.00 1.20 C ATOM 1778 O GLU A 113 -2.238 -0.165 -13.414 1.00 1.12 O ATOM 1779 CB GLU A 113 -5.258 -0.648 -14.778 1.00 1.25 C ATOM 1780 CG GLU A 113 -6.010 -1.306 -15.939 1.00 1.76 C ATOM 1781 CD GLU A 113 -5.111 -1.912 -17.020 1.00 3.10 C ATOM 1782 OE1 GLU A 113 -4.343 -1.133 -17.622 1.00 3.28 O ATOM 1783 OE2 GLU A 113 -5.149 -3.154 -17.176 1.00 4.45 O ATOM 0 H GLU A 113 -5.413 -3.014 -14.028 1.00 1.02 H new ATOM 0 HA GLU A 113 -3.356 -1.489 -15.225 1.00 1.06 H new ATOM 0 HB2 GLU A 113 -5.926 -0.541 -13.923 1.00 1.25 H new ATOM 0 HB3 GLU A 113 -4.947 0.356 -15.066 1.00 1.25 H new ATOM 0 HG2 GLU A 113 -6.654 -2.089 -15.540 1.00 1.76 H new ATOM 0 HG3 GLU A 113 -6.660 -0.563 -16.401 1.00 1.76 H new ATOM 1790 N ALA A 114 -3.724 -1.055 -11.983 1.00 0.91 N ATOM 1791 CA ALA A 114 -3.021 -0.626 -10.775 1.00 0.86 C ATOM 1792 C ALA A 114 -1.617 -1.236 -10.687 1.00 1.06 C ATOM 1793 O ALA A 114 -0.637 -0.521 -10.480 1.00 1.07 O ATOM 1794 CB ALA A 114 -3.898 -0.988 -9.569 1.00 0.96 C ATOM 0 H ALA A 114 -4.591 -1.558 -11.796 1.00 0.91 H new ATOM 0 HA ALA A 114 -2.862 0.452 -10.795 1.00 0.86 H new ATOM 0 HB1 ALA A 114 -3.399 -0.680 -8.650 1.00 0.96 H new ATOM 0 HB2 ALA A 114 -4.857 -0.477 -9.650 1.00 0.96 H new ATOM 0 HB3 ALA A 114 -4.062 -2.065 -9.549 1.00 0.96 H new ATOM 1800 N ALA A 115 -1.495 -2.550 -10.888 1.00 0.81 N ATOM 1801 CA ALA A 115 -0.218 -3.244 -10.814 1.00 0.77 C ATOM 1802 C ALA A 115 0.785 -2.706 -11.848 1.00 0.91 C ATOM 1803 O ALA A 115 1.919 -2.393 -11.487 1.00 0.94 O ATOM 1804 CB ALA A 115 -0.470 -4.746 -10.980 1.00 0.89 C ATOM 0 H ALA A 115 -2.283 -3.159 -11.107 1.00 0.81 H new ATOM 0 HA ALA A 115 0.238 -3.064 -9.841 1.00 0.77 H new ATOM 0 HB1 ALA A 115 0.478 -5.282 -10.927 1.00 0.89 H new ATOM 0 HB2 ALA A 115 -1.129 -5.094 -10.185 1.00 0.89 H new ATOM 0 HB3 ALA A 115 -0.938 -4.932 -11.947 1.00 0.89 H new ATOM 1810 N GLN A 116 0.377 -2.543 -13.109 1.00 0.76 N ATOM 1811 CA GLN A 116 1.234 -2.019 -14.182 1.00 0.77 C ATOM 1812 C GLN A 116 1.662 -0.567 -13.926 1.00 1.12 C ATOM 1813 O GLN A 116 2.792 -0.197 -14.249 1.00 1.23 O ATOM 1814 CB GLN A 116 0.507 -2.156 -15.531 1.00 0.93 C ATOM 1815 CG GLN A 116 0.262 -3.615 -15.957 1.00 1.48 C ATOM 1816 CD GLN A 116 1.555 -4.398 -16.175 1.00 2.57 C ATOM 1817 OE1 GLN A 116 2.117 -4.438 -17.253 1.00 2.85 O ATOM 1818 NE2 GLN A 116 2.117 -5.038 -15.170 1.00 4.28 N ATOM 0 H GLN A 116 -0.567 -2.773 -13.420 1.00 0.76 H new ATOM 0 HA GLN A 116 2.150 -2.609 -14.206 1.00 0.77 H new ATOM 0 HB2 GLN A 116 -0.450 -1.639 -15.472 1.00 0.93 H new ATOM 0 HB3 GLN A 116 1.093 -1.655 -16.302 1.00 0.93 H new ATOM 0 HG2 GLN A 116 -0.335 -4.115 -15.194 1.00 1.48 H new ATOM 0 HG3 GLN A 116 -0.322 -3.626 -16.877 1.00 1.48 H new ATOM 0 HE21 GLN A 116 1.677 -5.029 -14.250 1.00 4.28 H new ATOM 0 HE22 GLN A 116 2.992 -5.543 -15.312 1.00 4.28 H new ATOM 1827 N THR A 117 0.799 0.227 -13.280 1.00 0.65 N ATOM 1828 CA THR A 117 1.072 1.626 -12.913 1.00 0.70 C ATOM 1829 C THR A 117 2.222 1.722 -11.920 1.00 1.03 C ATOM 1830 O THR A 117 3.143 2.509 -12.131 1.00 0.97 O ATOM 1831 CB THR A 117 -0.209 2.280 -12.382 1.00 0.89 C ATOM 1832 OG1 THR A 117 -1.108 2.335 -13.456 1.00 1.16 O ATOM 1833 CG2 THR A 117 -0.007 3.707 -11.882 1.00 1.15 C ATOM 0 H THR A 117 -0.127 -0.089 -12.991 1.00 0.65 H new ATOM 0 HA THR A 117 1.387 2.173 -13.802 1.00 0.70 H new ATOM 0 HB THR A 117 -0.561 1.689 -11.536 1.00 0.89 H new ATOM 0 HG1 THR A 117 -1.516 1.454 -13.586 1.00 1.16 H new ATOM 0 HG21 THR A 117 -0.956 4.104 -11.522 1.00 1.15 H new ATOM 0 HG22 THR A 117 0.719 3.708 -11.069 1.00 1.15 H new ATOM 0 HG23 THR A 117 0.361 4.330 -12.698 1.00 1.15 H new ATOM 1841 N PHE A 118 2.172 0.943 -10.838 1.00 0.68 N ATOM 1842 CA PHE A 118 3.233 0.837 -9.833 1.00 0.73 C ATOM 1843 C PHE A 118 4.465 0.001 -10.239 1.00 1.79 C ATOM 1844 O PHE A 118 5.515 0.157 -9.622 1.00 2.12 O ATOM 1845 CB PHE A 118 2.595 0.373 -8.518 1.00 0.74 C ATOM 1846 CG PHE A 118 1.657 1.420 -7.935 1.00 0.84 C ATOM 1847 CD1 PHE A 118 2.169 2.654 -7.497 1.00 1.78 C ATOM 1848 CD2 PHE A 118 0.271 1.194 -7.886 1.00 2.22 C ATOM 1849 CE1 PHE A 118 1.305 3.658 -7.030 1.00 1.55 C ATOM 1850 CE2 PHE A 118 -0.595 2.194 -7.421 1.00 2.39 C ATOM 1851 CZ PHE A 118 -0.080 3.432 -7.000 1.00 1.24 C ATOM 0 H PHE A 118 1.368 0.350 -10.630 1.00 0.68 H new ATOM 0 HA PHE A 118 3.672 1.828 -9.716 1.00 0.73 H new ATOM 0 HB2 PHE A 118 2.044 -0.551 -8.690 1.00 0.74 H new ATOM 0 HB3 PHE A 118 3.379 0.147 -7.795 1.00 0.74 H new ATOM 0 HD1 PHE A 118 3.234 2.831 -7.520 1.00 1.78 H new ATOM 0 HD2 PHE A 118 -0.130 0.244 -8.208 1.00 2.22 H new ATOM 0 HE1 PHE A 118 1.706 4.603 -6.694 1.00 1.55 H new ATOM 0 HE2 PHE A 118 -1.659 2.013 -7.386 1.00 2.39 H new ATOM 0 HZ PHE A 118 -0.748 4.207 -6.654 1.00 1.24 H new ATOM 1861 N GLY A 119 4.366 -0.875 -11.249 1.00 0.69 N ATOM 1862 CA GLY A 119 5.440 -1.812 -11.646 1.00 0.74 C ATOM 1863 C GLY A 119 5.379 -3.180 -10.952 1.00 0.83 C ATOM 1864 O GLY A 119 6.393 -3.862 -10.848 1.00 0.95 O ATOM 0 H GLY A 119 3.528 -0.958 -11.825 1.00 0.69 H new ATOM 0 HA2 GLY A 119 5.393 -1.963 -12.724 1.00 0.74 H new ATOM 0 HA3 GLY A 119 6.404 -1.352 -11.431 1.00 0.74 H new ATOM 1868 N VAL A 120 4.198 -3.573 -10.487 1.00 0.65 N ATOM 1869 CA VAL A 120 3.912 -4.841 -9.801 1.00 0.66 C ATOM 1870 C VAL A 120 3.593 -5.948 -10.807 1.00 0.94 C ATOM 1871 O VAL A 120 2.909 -5.742 -11.813 1.00 1.19 O ATOM 1872 CB VAL A 120 2.769 -4.662 -8.776 1.00 0.70 C ATOM 1873 CG1 VAL A 120 2.154 -5.951 -8.201 1.00 0.93 C ATOM 1874 CG2 VAL A 120 3.284 -3.796 -7.622 1.00 1.20 C ATOM 0 H VAL A 120 3.367 -2.989 -10.580 1.00 0.65 H new ATOM 0 HA VAL A 120 4.805 -5.143 -9.254 1.00 0.66 H new ATOM 0 HB VAL A 120 1.956 -4.196 -9.333 1.00 0.70 H new ATOM 0 HG11 VAL A 120 1.364 -5.694 -7.495 1.00 0.93 H new ATOM 0 HG12 VAL A 120 1.736 -6.548 -9.012 1.00 0.93 H new ATOM 0 HG13 VAL A 120 2.926 -6.525 -7.689 1.00 0.93 H new ATOM 0 HG21 VAL A 120 2.490 -3.659 -6.888 1.00 1.20 H new ATOM 0 HG22 VAL A 120 4.134 -4.288 -7.149 1.00 1.20 H new ATOM 0 HG23 VAL A 120 3.595 -2.825 -8.007 1.00 1.20 H new ATOM 1884 N PHE A 121 4.072 -7.146 -10.471 1.00 0.87 N ATOM 1885 CA PHE A 121 3.945 -8.399 -11.199 1.00 1.07 C ATOM 1886 C PHE A 121 3.454 -9.488 -10.234 1.00 1.63 C ATOM 1887 O PHE A 121 3.994 -9.677 -9.144 1.00 1.66 O ATOM 1888 CB PHE A 121 5.306 -8.739 -11.834 1.00 1.25 C ATOM 1889 CG PHE A 121 6.511 -8.607 -10.910 1.00 1.30 C ATOM 1890 CD1 PHE A 121 7.175 -7.367 -10.787 1.00 2.37 C ATOM 1891 CD2 PHE A 121 6.960 -9.710 -10.157 1.00 2.23 C ATOM 1892 CE1 PHE A 121 8.277 -7.237 -9.923 1.00 2.47 C ATOM 1893 CE2 PHE A 121 8.062 -9.578 -9.293 1.00 2.17 C ATOM 1894 CZ PHE A 121 8.724 -8.343 -9.179 1.00 1.57 C ATOM 0 H PHE A 121 4.603 -7.270 -9.609 1.00 0.87 H new ATOM 0 HA PHE A 121 3.214 -8.322 -12.003 1.00 1.07 H new ATOM 0 HB2 PHE A 121 5.267 -9.762 -12.209 1.00 1.25 H new ATOM 0 HB3 PHE A 121 5.458 -8.089 -12.696 1.00 1.25 H new ATOM 0 HD1 PHE A 121 6.836 -6.516 -11.358 1.00 2.37 H new ATOM 0 HD2 PHE A 121 6.456 -10.661 -10.244 1.00 2.23 H new ATOM 0 HE1 PHE A 121 8.781 -6.286 -9.831 1.00 2.47 H new ATOM 0 HE2 PHE A 121 8.400 -10.426 -8.716 1.00 2.17 H new ATOM 0 HZ PHE A 121 9.575 -8.244 -8.521 1.00 1.57 H new ATOM 1904 N TYR A 122 2.391 -10.189 -10.624 1.00 1.02 N ATOM 1905 CA TYR A 122 1.743 -11.216 -9.802 1.00 1.03 C ATOM 1906 C TYR A 122 1.306 -12.406 -10.666 1.00 1.36 C ATOM 1907 O TYR A 122 0.874 -12.211 -11.804 1.00 1.39 O ATOM 1908 CB TYR A 122 0.570 -10.584 -9.032 1.00 1.11 C ATOM 1909 CG TYR A 122 -0.598 -10.115 -9.885 1.00 1.05 C ATOM 1910 CD1 TYR A 122 -0.626 -8.810 -10.421 1.00 2.24 C ATOM 1911 CD2 TYR A 122 -1.668 -10.997 -10.129 1.00 2.17 C ATOM 1912 CE1 TYR A 122 -1.729 -8.386 -11.192 1.00 2.25 C ATOM 1913 CE2 TYR A 122 -2.762 -10.585 -10.910 1.00 2.34 C ATOM 1914 CZ TYR A 122 -2.797 -9.279 -11.442 1.00 1.38 C ATOM 1915 OH TYR A 122 -3.863 -8.888 -12.190 1.00 1.72 O ATOM 0 H TYR A 122 1.947 -10.059 -11.533 1.00 1.02 H new ATOM 0 HA TYR A 122 2.451 -11.609 -9.072 1.00 1.03 H new ATOM 0 HB2 TYR A 122 0.200 -11.311 -8.309 1.00 1.11 H new ATOM 0 HB3 TYR A 122 0.947 -9.733 -8.465 1.00 1.11 H new ATOM 0 HD1 TYR A 122 0.198 -8.135 -10.241 1.00 2.24 H new ATOM 0 HD2 TYR A 122 -1.648 -11.994 -9.715 1.00 2.17 H new ATOM 0 HE1 TYR A 122 -1.758 -7.382 -11.590 1.00 2.25 H new ATOM 0 HE2 TYR A 122 -3.576 -11.268 -11.103 1.00 2.34 H new ATOM 0 HH TYR A 122 -4.502 -9.628 -12.261 1.00 1.72 H new ATOM 1925 N GLN A 123 1.433 -13.641 -10.174 1.00 1.15 N ATOM 1926 CA GLN A 123 1.150 -14.836 -10.975 1.00 1.27 C ATOM 1927 C GLN A 123 0.444 -15.905 -10.145 1.00 1.40 C ATOM 1928 O GLN A 123 0.927 -16.291 -9.086 1.00 1.78 O ATOM 1929 CB GLN A 123 2.446 -15.404 -11.592 1.00 1.39 C ATOM 1930 CG GLN A 123 3.100 -14.465 -12.622 1.00 2.00 C ATOM 1931 CD GLN A 123 4.219 -15.125 -13.436 1.00 2.41 C ATOM 1932 OE1 GLN A 123 4.888 -16.049 -13.017 1.00 3.35 O ATOM 1933 NE2 GLN A 123 4.450 -14.698 -14.660 1.00 3.23 N ATOM 0 H GLN A 123 1.732 -13.841 -9.219 1.00 1.15 H new ATOM 0 HA GLN A 123 0.482 -14.539 -11.784 1.00 1.27 H new ATOM 0 HB2 GLN A 123 3.160 -15.608 -10.794 1.00 1.39 H new ATOM 0 HB3 GLN A 123 2.223 -16.357 -12.071 1.00 1.39 H new ATOM 0 HG2 GLN A 123 2.333 -14.099 -13.305 1.00 2.00 H new ATOM 0 HG3 GLN A 123 3.505 -13.596 -12.103 1.00 2.00 H new ATOM 0 HE21 GLN A 123 3.906 -13.924 -15.041 1.00 3.23 H new ATOM 0 HE22 GLN A 123 5.173 -15.141 -15.227 1.00 3.23 H new ATOM 1942 N LYS A 124 -0.660 -16.446 -10.670 1.00 1.21 N ATOM 1943 CA LYS A 124 -1.317 -17.623 -10.093 1.00 1.13 C ATOM 1944 C LYS A 124 -0.887 -18.908 -10.818 1.00 1.30 C ATOM 1945 O LYS A 124 -0.672 -18.911 -12.027 1.00 1.67 O ATOM 1946 CB LYS A 124 -2.847 -17.435 -10.038 1.00 1.19 C ATOM 1947 CG LYS A 124 -3.532 -17.342 -11.409 1.00 1.48 C ATOM 1948 CD LYS A 124 -5.064 -17.321 -11.307 1.00 1.81 C ATOM 1949 CE LYS A 124 -5.603 -16.038 -10.660 1.00 2.47 C ATOM 1950 NZ LYS A 124 -7.083 -16.013 -10.689 1.00 2.93 N ATOM 0 H LYS A 124 -1.122 -16.082 -11.504 1.00 1.21 H new ATOM 0 HA LYS A 124 -0.988 -17.733 -9.060 1.00 1.13 H new ATOM 0 HB2 LYS A 124 -3.282 -18.268 -9.485 1.00 1.19 H new ATOM 0 HB3 LYS A 124 -3.068 -16.529 -9.474 1.00 1.19 H new ATOM 0 HG2 LYS A 124 -3.194 -16.440 -11.919 1.00 1.48 H new ATOM 0 HG3 LYS A 124 -3.225 -18.189 -12.022 1.00 1.48 H new ATOM 0 HD2 LYS A 124 -5.491 -17.426 -12.305 1.00 1.81 H new ATOM 0 HD3 LYS A 124 -5.396 -18.182 -10.726 1.00 1.81 H new ATOM 0 HE2 LYS A 124 -5.254 -15.972 -9.629 1.00 2.47 H new ATOM 0 HE3 LYS A 124 -5.210 -15.168 -11.186 1.00 2.47 H new ATOM 0 HZ1 LYS A 124 -7.417 -15.040 -10.537 1.00 2.93 H new ATOM 0 HZ2 LYS A 124 -7.418 -16.354 -11.613 1.00 2.93 H new ATOM 0 HZ3 LYS A 124 -7.455 -16.628 -9.937 1.00 2.93 H new ATOM 2120 N VAL A 135 -1.163 -18.265 -5.539 1.00 1.43 N ATOM 2121 CA VAL A 135 -0.881 -16.954 -6.151 1.00 1.26 C ATOM 2122 C VAL A 135 0.227 -16.235 -5.382 1.00 1.59 C ATOM 2123 O VAL A 135 0.298 -16.344 -4.155 1.00 1.73 O ATOM 2124 CB VAL A 135 -2.159 -16.091 -6.305 1.00 1.29 C ATOM 2125 CG1 VAL A 135 -2.823 -15.737 -4.962 1.00 2.07 C ATOM 2126 CG2 VAL A 135 -1.926 -14.809 -7.124 1.00 1.97 C ATOM 0 HA VAL A 135 -0.521 -17.125 -7.165 1.00 1.26 H new ATOM 0 HB VAL A 135 -2.846 -16.730 -6.860 1.00 1.29 H new ATOM 0 HG11 VAL A 135 -3.711 -15.132 -5.144 1.00 2.07 H new ATOM 0 HG12 VAL A 135 -3.107 -16.653 -4.444 1.00 2.07 H new ATOM 0 HG13 VAL A 135 -2.121 -15.175 -4.346 1.00 2.07 H new ATOM 0 HG21 VAL A 135 -2.858 -14.249 -7.196 1.00 1.97 H new ATOM 0 HG22 VAL A 135 -1.171 -14.196 -6.633 1.00 1.97 H new ATOM 0 HG23 VAL A 135 -1.584 -15.074 -8.125 1.00 1.97 H new ATOM 2136 N ASP A 136 1.095 -15.542 -6.127 1.00 1.44 N ATOM 2137 CA ASP A 136 2.267 -14.814 -5.621 1.00 1.74 C ATOM 2138 C ASP A 136 2.364 -13.385 -6.208 1.00 1.51 C ATOM 2139 O ASP A 136 1.825 -13.101 -7.280 1.00 1.53 O ATOM 2140 CB ASP A 136 3.533 -15.640 -5.915 1.00 2.41 C ATOM 2141 CG ASP A 136 4.725 -15.276 -5.018 1.00 4.11 C ATOM 2142 OD1 ASP A 136 4.600 -14.304 -4.233 1.00 5.55 O ATOM 2143 OD2 ASP A 136 5.737 -16.003 -5.091 1.00 4.52 O ATOM 0 H ASP A 136 0.998 -15.469 -7.140 1.00 1.44 H new ATOM 0 HA ASP A 136 2.164 -14.686 -4.543 1.00 1.74 H new ATOM 0 HB2 ASP A 136 3.304 -16.698 -5.789 1.00 2.41 H new ATOM 0 HB3 ASP A 136 3.816 -15.497 -6.958 1.00 2.41 H new ATOM 2148 N HIS A 137 3.012 -12.468 -5.481 1.00 1.21 N ATOM 2149 CA HIS A 137 2.983 -11.013 -5.687 1.00 1.15 C ATOM 2150 C HIS A 137 4.312 -10.275 -5.386 1.00 1.31 C ATOM 2151 O HIS A 137 5.164 -10.762 -4.650 1.00 1.48 O ATOM 2152 CB HIS A 137 1.825 -10.431 -4.846 1.00 1.42 C ATOM 2153 CG HIS A 137 2.040 -10.376 -3.343 1.00 2.10 C ATOM 2154 ND1 HIS A 137 1.507 -9.430 -2.493 1.00 2.95 N ATOM 2155 CD2 HIS A 137 2.759 -11.239 -2.552 1.00 2.85 C ATOM 2156 CE1 HIS A 137 1.898 -9.712 -1.243 1.00 3.41 C ATOM 2157 NE2 HIS A 137 2.663 -10.806 -1.224 1.00 3.35 N ATOM 0 H HIS A 137 3.602 -12.733 -4.692 1.00 1.21 H new ATOM 0 HA HIS A 137 2.828 -10.847 -6.753 1.00 1.15 H new ATOM 0 HB2 HIS A 137 1.622 -9.420 -5.199 1.00 1.42 H new ATOM 0 HB3 HIS A 137 0.931 -11.023 -5.041 1.00 1.42 H new ATOM 0 HD1 HIS A 137 0.915 -8.647 -2.769 1.00 2.95 H new ATOM 0 HD2 HIS A 137 3.306 -12.105 -2.896 1.00 2.85 H new ATOM 0 HE1 HIS A 137 1.631 -9.134 -0.371 1.00 3.41 H new ATOM 2166 N THR A 138 4.460 -9.027 -5.870 1.00 1.08 N ATOM 2167 CA THR A 138 5.636 -8.153 -5.619 1.00 1.06 C ATOM 2168 C THR A 138 5.775 -7.657 -4.169 1.00 1.55 C ATOM 2169 O THR A 138 6.810 -7.078 -3.849 1.00 2.97 O ATOM 2170 CB THR A 138 5.634 -6.960 -6.588 1.00 1.10 C ATOM 2171 OG1 THR A 138 5.306 -7.419 -7.868 1.00 1.59 O ATOM 2172 CG2 THR A 138 6.974 -6.236 -6.738 1.00 1.33 C ATOM 0 H THR A 138 3.755 -8.584 -6.459 1.00 1.08 H new ATOM 0 HA THR A 138 6.506 -8.786 -5.796 1.00 1.06 H new ATOM 0 HB THR A 138 4.918 -6.257 -6.162 1.00 1.10 H new ATOM 0 HG1 THR A 138 6.070 -7.288 -8.468 1.00 1.59 H new ATOM 0 HG21 THR A 138 6.865 -5.412 -7.443 1.00 1.33 H new ATOM 0 HG22 THR A 138 7.288 -5.846 -5.769 1.00 1.33 H new ATOM 0 HG23 THR A 138 7.725 -6.934 -7.109 1.00 1.33 H new ATOM 2180 N ALA A 139 4.764 -7.829 -3.308 1.00 0.87 N ATOM 2181 CA ALA A 139 4.806 -7.567 -1.850 1.00 0.83 C ATOM 2182 C ALA A 139 5.267 -6.151 -1.393 1.00 1.03 C ATOM 2183 O ALA A 139 5.525 -5.925 -0.210 1.00 1.72 O ATOM 2184 CB ALA A 139 5.640 -8.682 -1.201 1.00 1.16 C ATOM 0 H ALA A 139 3.852 -8.169 -3.614 1.00 0.87 H new ATOM 0 HA ALA A 139 3.771 -7.575 -1.508 1.00 0.83 H new ATOM 0 HB1 ALA A 139 5.691 -8.519 -0.125 1.00 1.16 H new ATOM 0 HB2 ALA A 139 5.174 -9.647 -1.400 1.00 1.16 H new ATOM 0 HB3 ALA A 139 6.647 -8.672 -1.617 1.00 1.16 H new ATOM 2190 N THR A 140 5.395 -5.197 -2.321 1.00 0.74 N ATOM 2191 CA THR A 140 6.087 -3.910 -2.133 1.00 0.74 C ATOM 2192 C THR A 140 5.077 -2.813 -1.803 1.00 0.78 C ATOM 2193 O THR A 140 3.902 -2.924 -2.162 1.00 1.01 O ATOM 2194 CB THR A 140 6.897 -3.610 -3.404 1.00 0.86 C ATOM 2195 OG1 THR A 140 7.931 -4.569 -3.489 1.00 1.32 O ATOM 2196 CG2 THR A 140 7.595 -2.249 -3.444 1.00 0.91 C ATOM 0 H THR A 140 5.007 -5.300 -3.259 1.00 0.74 H new ATOM 0 HA THR A 140 6.776 -3.956 -1.290 1.00 0.74 H new ATOM 0 HB THR A 140 6.171 -3.627 -4.217 1.00 0.86 H new ATOM 0 HG1 THR A 140 7.542 -5.460 -3.615 1.00 1.32 H new ATOM 0 HG21 THR A 140 8.136 -2.145 -4.385 1.00 0.91 H new ATOM 0 HG22 THR A 140 6.851 -1.456 -3.363 1.00 0.91 H new ATOM 0 HG23 THR A 140 8.296 -2.175 -2.612 1.00 0.91 H new ATOM 2204 N THR A 141 5.533 -1.760 -1.110 1.00 0.68 N ATOM 2205 CA THR A 141 4.770 -0.531 -0.844 1.00 0.73 C ATOM 2206 C THR A 141 5.346 0.613 -1.668 1.00 0.97 C ATOM 2207 O THR A 141 6.559 0.800 -1.749 1.00 1.01 O ATOM 2208 CB THR A 141 4.757 -0.205 0.650 1.00 1.02 C ATOM 2209 OG1 THR A 141 4.121 -1.281 1.295 1.00 1.69 O ATOM 2210 CG2 THR A 141 3.977 1.066 0.992 1.00 1.64 C ATOM 0 H THR A 141 6.470 -1.739 -0.707 1.00 0.68 H new ATOM 0 HA THR A 141 3.732 -0.681 -1.142 1.00 0.73 H new ATOM 0 HB THR A 141 5.787 -0.046 0.969 1.00 1.02 H new ATOM 0 HG1 THR A 141 4.092 -1.113 2.260 1.00 1.69 H new ATOM 0 HG21 THR A 141 4.010 1.235 2.068 1.00 1.64 H new ATOM 0 HG22 THR A 141 4.424 1.917 0.477 1.00 1.64 H new ATOM 0 HG23 THR A 141 2.940 0.953 0.675 1.00 1.64 H new ATOM 2218 N PHE A 142 4.455 1.384 -2.283 1.00 0.77 N ATOM 2219 CA PHE A 142 4.724 2.413 -3.280 1.00 0.82 C ATOM 2220 C PHE A 142 4.299 3.775 -2.731 1.00 1.88 C ATOM 2221 O PHE A 142 3.134 3.954 -2.358 1.00 2.25 O ATOM 2222 CB PHE A 142 3.925 2.040 -4.543 1.00 0.79 C ATOM 2223 CG PHE A 142 4.398 0.743 -5.168 1.00 0.82 C ATOM 2224 CD1 PHE A 142 3.848 -0.488 -4.756 1.00 1.66 C ATOM 2225 CD2 PHE A 142 5.444 0.753 -6.107 1.00 1.99 C ATOM 2226 CE1 PHE A 142 4.364 -1.696 -5.256 1.00 1.67 C ATOM 2227 CE2 PHE A 142 5.954 -0.454 -6.611 1.00 1.83 C ATOM 2228 CZ PHE A 142 5.421 -1.679 -6.182 1.00 0.87 C ATOM 0 H PHE A 142 3.458 1.300 -2.084 1.00 0.77 H new ATOM 0 HA PHE A 142 5.785 2.475 -3.521 1.00 0.82 H new ATOM 0 HB2 PHE A 142 2.869 1.953 -4.288 1.00 0.79 H new ATOM 0 HB3 PHE A 142 4.011 2.844 -5.274 1.00 0.79 H new ATOM 0 HD1 PHE A 142 3.027 -0.503 -4.054 1.00 1.66 H new ATOM 0 HD2 PHE A 142 5.857 1.693 -6.442 1.00 1.99 H new ATOM 0 HE1 PHE A 142 3.948 -2.637 -4.929 1.00 1.67 H new ATOM 0 HE2 PHE A 142 6.759 -0.440 -7.331 1.00 1.83 H new ATOM 0 HZ PHE A 142 5.822 -2.607 -6.563 1.00 0.87 H new ATOM 2238 N VAL A 143 5.228 4.735 -2.654 1.00 0.90 N ATOM 2239 CA VAL A 143 5.013 5.977 -1.897 1.00 0.80 C ATOM 2240 C VAL A 143 4.782 7.147 -2.844 1.00 1.01 C ATOM 2241 O VAL A 143 5.624 7.478 -3.682 1.00 1.18 O ATOM 2242 CB VAL A 143 6.162 6.258 -0.908 1.00 0.78 C ATOM 2243 CG1 VAL A 143 5.841 7.479 -0.032 1.00 0.75 C ATOM 2244 CG2 VAL A 143 6.377 5.040 0.001 1.00 1.12 C ATOM 0 H VAL A 143 6.140 4.676 -3.108 1.00 0.90 H new ATOM 0 HA VAL A 143 4.114 5.848 -1.295 1.00 0.80 H new ATOM 0 HB VAL A 143 7.064 6.459 -1.485 1.00 0.78 H new ATOM 0 HG11 VAL A 143 6.665 7.659 0.658 1.00 0.75 H new ATOM 0 HG12 VAL A 143 5.701 8.355 -0.666 1.00 0.75 H new ATOM 0 HG13 VAL A 143 4.929 7.291 0.534 1.00 0.75 H new ATOM 0 HG21 VAL A 143 7.190 5.245 0.697 1.00 1.12 H new ATOM 0 HG22 VAL A 143 5.463 4.837 0.560 1.00 1.12 H new ATOM 0 HG23 VAL A 143 6.631 4.172 -0.608 1.00 1.12 H new ATOM 2254 N VAL A 144 3.614 7.762 -2.691 1.00 0.71 N ATOM 2255 CA VAL A 144 3.110 8.838 -3.556 1.00 0.73 C ATOM 2256 C VAL A 144 2.897 10.141 -2.776 1.00 1.05 C ATOM 2257 O VAL A 144 2.224 10.162 -1.741 1.00 1.01 O ATOM 2258 CB VAL A 144 1.802 8.412 -4.267 1.00 0.74 C ATOM 2259 CG1 VAL A 144 1.181 9.562 -5.085 1.00 1.71 C ATOM 2260 CG2 VAL A 144 2.057 7.221 -5.213 1.00 1.66 C ATOM 0 H VAL A 144 2.967 7.522 -1.940 1.00 0.71 H new ATOM 0 HA VAL A 144 3.871 9.025 -4.314 1.00 0.73 H new ATOM 0 HB VAL A 144 1.104 8.126 -3.480 1.00 0.74 H new ATOM 0 HG11 VAL A 144 0.266 9.214 -5.565 1.00 1.71 H new ATOM 0 HG12 VAL A 144 0.949 10.396 -4.422 1.00 1.71 H new ATOM 0 HG13 VAL A 144 1.888 9.890 -5.847 1.00 1.71 H new ATOM 0 HG21 VAL A 144 1.125 6.938 -5.702 1.00 1.66 H new ATOM 0 HG22 VAL A 144 2.790 7.506 -5.967 1.00 1.66 H new ATOM 0 HG23 VAL A 144 2.437 6.375 -4.639 1.00 1.66 H new ATOM 2270 N LYS A 145 3.409 11.229 -3.363 1.00 0.84 N ATOM 2271 CA LYS A 145 3.080 12.633 -3.076 1.00 0.98 C ATOM 2272 C LYS A 145 2.711 13.330 -4.397 1.00 1.25 C ATOM 2273 O LYS A 145 3.366 13.082 -5.409 1.00 1.46 O ATOM 2274 CB LYS A 145 4.326 13.313 -2.467 1.00 1.24 C ATOM 2275 CG LYS A 145 4.114 14.768 -2.000 1.00 1.57 C ATOM 2276 CD LYS A 145 3.222 14.794 -0.753 1.00 1.70 C ATOM 2277 CE LYS A 145 3.112 16.160 -0.053 1.00 1.91 C ATOM 2278 NZ LYS A 145 4.361 16.543 0.647 1.00 1.63 N ATOM 0 H LYS A 145 4.110 11.148 -4.099 1.00 0.84 H new ATOM 0 HA LYS A 145 2.245 12.698 -2.379 1.00 0.98 H new ATOM 0 HB2 LYS A 145 4.665 12.721 -1.617 1.00 1.24 H new ATOM 0 HB3 LYS A 145 5.127 13.298 -3.206 1.00 1.24 H new ATOM 0 HG2 LYS A 145 5.076 15.231 -1.779 1.00 1.57 H new ATOM 0 HG3 LYS A 145 3.655 15.351 -2.798 1.00 1.57 H new ATOM 0 HD2 LYS A 145 2.221 14.467 -1.035 1.00 1.70 H new ATOM 0 HD3 LYS A 145 3.605 14.067 -0.037 1.00 1.70 H new ATOM 0 HE2 LYS A 145 2.864 16.923 -0.791 1.00 1.91 H new ATOM 0 HE3 LYS A 145 2.292 16.132 0.664 1.00 1.91 H new ATOM 0 HZ1 LYS A 145 4.138 17.204 1.418 1.00 1.63 H new ATOM 0 HZ2 LYS A 145 4.814 15.693 1.040 1.00 1.63 H new ATOM 0 HZ3 LYS A 145 5.009 17.001 -0.025 1.00 1.63 H new ATOM 2292 N GLU A 146 1.680 14.179 -4.430 1.00 1.13 N ATOM 2293 CA GLU A 146 1.300 15.025 -5.585 1.00 1.27 C ATOM 2294 C GLU A 146 0.605 14.225 -6.716 1.00 1.53 C ATOM 2295 O GLU A 146 0.201 14.790 -7.731 1.00 1.92 O ATOM 2296 CB GLU A 146 2.543 15.768 -6.137 1.00 1.50 C ATOM 2297 CG GLU A 146 2.270 17.191 -6.624 1.00 2.51 C ATOM 2298 CD GLU A 146 3.410 17.664 -7.527 1.00 3.02 C ATOM 2299 OE1 GLU A 146 3.445 17.281 -8.716 1.00 4.43 O ATOM 2300 OE2 GLU A 146 4.367 18.299 -7.042 1.00 2.70 O ATOM 0 H GLU A 146 1.060 14.307 -3.630 1.00 1.13 H new ATOM 0 HA GLU A 146 0.572 15.750 -5.220 1.00 1.27 H new ATOM 0 HB2 GLU A 146 3.304 15.805 -5.357 1.00 1.50 H new ATOM 0 HB3 GLU A 146 2.959 15.189 -6.962 1.00 1.50 H new ATOM 0 HG2 GLU A 146 1.327 17.223 -7.169 1.00 2.51 H new ATOM 0 HG3 GLU A 146 2.168 17.862 -5.771 1.00 2.51 H new ATOM 2307 N GLY A 147 0.484 12.898 -6.575 1.00 1.09 N ATOM 2308 CA GLY A 147 0.119 11.972 -7.658 1.00 1.11 C ATOM 2309 C GLY A 147 1.316 11.451 -8.446 1.00 1.11 C ATOM 2310 O GLY A 147 1.121 10.837 -9.495 1.00 1.21 O ATOM 0 H GLY A 147 0.641 12.427 -5.684 1.00 1.09 H new ATOM 0 HA2 GLY A 147 -0.422 11.126 -7.234 1.00 1.11 H new ATOM 0 HA3 GLY A 147 -0.563 12.477 -8.342 1.00 1.11 H new ATOM 2314 N ARG A 148 2.547 11.672 -7.964 1.00 1.04 N ATOM 2315 CA ARG A 148 3.759 11.055 -8.508 1.00 0.98 C ATOM 2316 C ARG A 148 4.502 10.185 -7.491 1.00 1.18 C ATOM 2317 O ARG A 148 4.514 10.425 -6.286 1.00 1.36 O ATOM 2318 CB ARG A 148 4.690 12.061 -9.204 1.00 1.14 C ATOM 2319 CG ARG A 148 4.730 13.483 -8.639 1.00 1.52 C ATOM 2320 CD ARG A 148 5.781 14.282 -9.413 1.00 1.73 C ATOM 2321 NE ARG A 148 5.650 15.723 -9.160 1.00 1.95 N ATOM 2322 CZ ARG A 148 6.526 16.682 -9.408 1.00 2.75 C ATOM 2323 NH1 ARG A 148 7.685 16.433 -9.980 1.00 3.59 N ATOM 2324 NH2 ARG A 148 6.228 17.916 -9.080 1.00 3.05 N ATOM 0 H ARG A 148 2.728 12.293 -7.175 1.00 1.04 H new ATOM 0 HA ARG A 148 3.407 10.378 -9.286 1.00 0.98 H new ATOM 0 HB2 ARG A 148 5.703 11.658 -9.178 1.00 1.14 H new ATOM 0 HB3 ARG A 148 4.398 12.122 -10.252 1.00 1.14 H new ATOM 0 HG2 ARG A 148 3.752 13.955 -8.731 1.00 1.52 H new ATOM 0 HG3 ARG A 148 4.976 13.462 -7.577 1.00 1.52 H new ATOM 0 HD2 ARG A 148 6.778 13.949 -9.125 1.00 1.73 H new ATOM 0 HD3 ARG A 148 5.676 14.087 -10.480 1.00 1.73 H new ATOM 0 HE ARG A 148 4.770 16.022 -8.739 1.00 1.95 H new ATOM 0 HH11 ARG A 148 7.928 15.479 -10.245 1.00 3.59 H new ATOM 0 HH12 ARG A 148 8.340 17.194 -10.158 1.00 3.59 H new ATOM 0 HH21 ARG A 148 5.332 18.125 -8.640 1.00 3.05 H new ATOM 0 HH22 ARG A 148 6.893 18.667 -9.264 1.00 3.05 H new ATOM 2338 N LEU A 149 5.105 9.119 -8.016 1.00 0.83 N ATOM 2339 CA LEU A 149 5.766 8.056 -7.264 1.00 0.76 C ATOM 2340 C LEU A 149 7.145 8.566 -6.831 1.00 1.04 C ATOM 2341 O LEU A 149 8.033 8.716 -7.664 1.00 1.32 O ATOM 2342 CB LEU A 149 5.827 6.785 -8.151 1.00 0.81 C ATOM 2343 CG LEU A 149 5.494 5.461 -7.432 1.00 0.99 C ATOM 2344 CD1 LEU A 149 5.603 4.306 -8.438 1.00 2.34 C ATOM 2345 CD2 LEU A 149 6.402 5.155 -6.234 1.00 1.69 C ATOM 0 H LEU A 149 5.147 8.967 -9.024 1.00 0.83 H new ATOM 0 HA LEU A 149 5.220 7.785 -6.361 1.00 0.76 H new ATOM 0 HB2 LEU A 149 5.136 6.910 -8.984 1.00 0.81 H new ATOM 0 HB3 LEU A 149 6.828 6.707 -8.576 1.00 0.81 H new ATOM 0 HG LEU A 149 4.482 5.569 -7.040 1.00 0.99 H new ATOM 0 HD11 LEU A 149 5.369 3.366 -7.939 1.00 2.34 H new ATOM 0 HD12 LEU A 149 4.900 4.468 -9.255 1.00 2.34 H new ATOM 0 HD13 LEU A 149 6.617 4.264 -8.835 1.00 2.34 H new ATOM 0 HD21 LEU A 149 6.103 4.208 -5.783 1.00 1.69 H new ATOM 0 HD22 LEU A 149 7.437 5.087 -6.570 1.00 1.69 H new ATOM 0 HD23 LEU A 149 6.312 5.952 -5.496 1.00 1.69 H new ATOM 2357 N VAL A 150 7.310 8.855 -5.541 1.00 0.76 N ATOM 2358 CA VAL A 150 8.517 9.515 -4.994 1.00 0.83 C ATOM 2359 C VAL A 150 9.501 8.513 -4.373 1.00 1.11 C ATOM 2360 O VAL A 150 10.693 8.811 -4.265 1.00 1.29 O ATOM 2361 CB VAL A 150 8.168 10.645 -3.982 1.00 0.87 C ATOM 2362 CG1 VAL A 150 7.567 11.861 -4.706 1.00 1.72 C ATOM 2363 CG2 VAL A 150 7.191 10.241 -2.860 1.00 1.18 C ATOM 0 H VAL A 150 6.609 8.640 -4.832 1.00 0.76 H new ATOM 0 HA VAL A 150 9.013 9.978 -5.847 1.00 0.83 H new ATOM 0 HB VAL A 150 9.123 10.880 -3.513 1.00 0.87 H new ATOM 0 HG11 VAL A 150 7.331 12.638 -3.978 1.00 1.72 H new ATOM 0 HG12 VAL A 150 8.287 12.247 -5.428 1.00 1.72 H new ATOM 0 HG13 VAL A 150 6.657 11.562 -5.225 1.00 1.72 H new ATOM 0 HG21 VAL A 150 7.012 11.096 -2.208 1.00 1.18 H new ATOM 0 HG22 VAL A 150 6.248 9.915 -3.299 1.00 1.18 H new ATOM 0 HG23 VAL A 150 7.622 9.426 -2.279 1.00 1.18 H new ATOM 2373 N LEU A 151 9.028 7.312 -4.008 1.00 0.82 N ATOM 2374 CA LEU A 151 9.750 6.352 -3.170 1.00 0.78 C ATOM 2375 C LEU A 151 9.147 4.942 -3.221 1.00 1.19 C ATOM 2376 O LEU A 151 7.934 4.771 -3.370 1.00 1.37 O ATOM 2377 CB LEU A 151 9.736 6.884 -1.722 1.00 0.85 C ATOM 2378 CG LEU A 151 11.078 7.479 -1.280 1.00 1.18 C ATOM 2379 CD1 LEU A 151 10.830 8.492 -0.183 1.00 1.37 C ATOM 2380 CD2 LEU A 151 12.000 6.380 -0.763 1.00 1.27 C ATOM 0 H LEU A 151 8.109 6.976 -4.297 1.00 0.82 H new ATOM 0 HA LEU A 151 10.768 6.259 -3.549 1.00 0.78 H new ATOM 0 HB2 LEU A 151 8.961 7.645 -1.630 1.00 0.85 H new ATOM 0 HB3 LEU A 151 9.467 6.072 -1.047 1.00 0.85 H new ATOM 0 HG LEU A 151 11.556 7.962 -2.132 1.00 1.18 H new ATOM 0 HD11 LEU A 151 11.779 8.921 0.138 1.00 1.37 H new ATOM 0 HD12 LEU A 151 10.183 9.284 -0.559 1.00 1.37 H new ATOM 0 HD13 LEU A 151 10.349 8.001 0.663 1.00 1.37 H new ATOM 0 HD21 LEU A 151 12.949 6.817 -0.453 1.00 1.27 H new ATOM 0 HD22 LEU A 151 11.533 5.884 0.088 1.00 1.27 H new ATOM 0 HD23 LEU A 151 12.178 5.652 -1.554 1.00 1.27 H new ATOM 2392 N LEU A 152 10.005 3.939 -3.033 1.00 0.63 N ATOM 2393 CA LEU A 152 9.634 2.530 -2.866 1.00 0.58 C ATOM 2394 C LEU A 152 10.125 2.028 -1.504 1.00 1.14 C ATOM 2395 O LEU A 152 11.275 2.282 -1.136 1.00 1.18 O ATOM 2396 CB LEU A 152 10.271 1.684 -3.987 1.00 0.59 C ATOM 2397 CG LEU A 152 10.006 2.166 -5.429 1.00 0.67 C ATOM 2398 CD1 LEU A 152 10.841 1.336 -6.413 1.00 0.86 C ATOM 2399 CD2 LEU A 152 8.523 2.040 -5.780 1.00 0.83 C ATOM 0 H LEU A 152 11.013 4.089 -2.991 1.00 0.63 H new ATOM 0 HA LEU A 152 8.549 2.437 -2.919 1.00 0.58 H new ATOM 0 HB2 LEU A 152 11.349 1.656 -3.826 1.00 0.59 H new ATOM 0 HB3 LEU A 152 9.908 0.660 -3.894 1.00 0.59 H new ATOM 0 HG LEU A 152 10.291 3.216 -5.500 1.00 0.67 H new ATOM 0 HD11 LEU A 152 10.652 1.679 -7.430 1.00 0.86 H new ATOM 0 HD12 LEU A 152 11.900 1.454 -6.182 1.00 0.86 H new ATOM 0 HD13 LEU A 152 10.566 0.285 -6.327 1.00 0.86 H new ATOM 0 HD21 LEU A 152 8.360 2.386 -6.801 1.00 0.83 H new ATOM 0 HD22 LEU A 152 8.217 0.997 -5.697 1.00 0.83 H new ATOM 0 HD23 LEU A 152 7.934 2.647 -5.093 1.00 0.83 H new ATOM 2411 N TYR A 153 9.279 1.274 -0.796 1.00 0.86 N ATOM 2412 CA TYR A 153 9.634 0.492 0.391 1.00 0.90 C ATOM 2413 C TYR A 153 9.351 -1.005 0.136 1.00 1.20 C ATOM 2414 O TYR A 153 8.207 -1.408 -0.083 1.00 1.62 O ATOM 2415 CB TYR A 153 8.820 0.944 1.622 1.00 0.90 C ATOM 2416 CG TYR A 153 8.903 2.384 2.119 1.00 1.42 C ATOM 2417 CD1 TYR A 153 10.021 3.212 1.873 1.00 2.22 C ATOM 2418 CD2 TYR A 153 7.848 2.881 2.909 1.00 2.46 C ATOM 2419 CE1 TYR A 153 10.058 4.529 2.377 1.00 2.69 C ATOM 2420 CE2 TYR A 153 7.890 4.188 3.430 1.00 3.11 C ATOM 2421 CZ TYR A 153 8.995 5.023 3.163 1.00 2.83 C ATOM 2422 OH TYR A 153 9.020 6.288 3.675 1.00 3.64 O ATOM 0 H TYR A 153 8.293 1.189 -1.043 1.00 0.86 H new ATOM 0 HA TYR A 153 10.694 0.651 0.589 1.00 0.90 H new ATOM 0 HB2 TYR A 153 7.771 0.738 1.408 1.00 0.90 H new ATOM 0 HB3 TYR A 153 9.108 0.300 2.453 1.00 0.90 H new ATOM 0 HD1 TYR A 153 10.852 2.834 1.296 1.00 2.22 H new ATOM 0 HD2 TYR A 153 6.996 2.251 3.118 1.00 2.46 H new ATOM 0 HE1 TYR A 153 10.905 5.163 2.160 1.00 2.69 H new ATOM 0 HE2 TYR A 153 7.074 4.553 4.036 1.00 3.11 H new ATOM 0 HH TYR A 153 9.706 6.814 3.214 1.00 3.64 H new ATOM 2432 N SER A 154 10.369 -1.862 0.206 1.00 1.07 N ATOM 2433 CA SER A 154 10.172 -3.309 0.362 1.00 1.03 C ATOM 2434 C SER A 154 9.470 -3.604 1.709 1.00 1.13 C ATOM 2435 O SER A 154 9.557 -2.770 2.615 1.00 1.31 O ATOM 2436 CB SER A 154 11.526 -4.034 0.323 1.00 1.19 C ATOM 2437 OG SER A 154 12.441 -3.454 -0.589 1.00 1.97 O ATOM 0 H SER A 154 11.348 -1.579 0.157 1.00 1.07 H new ATOM 0 HA SER A 154 9.549 -3.667 -0.458 1.00 1.03 H new ATOM 0 HB2 SER A 154 11.964 -4.027 1.321 1.00 1.19 H new ATOM 0 HB3 SER A 154 11.365 -5.078 0.053 1.00 1.19 H new ATOM 0 HG SER A 154 13.283 -3.954 -0.570 1.00 1.97 H new ATOM 2443 N PRO A 155 8.823 -4.769 1.903 1.00 0.93 N ATOM 2444 CA PRO A 155 8.199 -5.090 3.185 1.00 1.09 C ATOM 2445 C PRO A 155 9.243 -5.302 4.293 1.00 1.20 C ATOM 2446 O PRO A 155 9.005 -4.920 5.434 1.00 1.11 O ATOM 2447 CB PRO A 155 7.381 -6.354 2.931 1.00 1.23 C ATOM 2448 CG PRO A 155 8.114 -7.037 1.778 1.00 1.10 C ATOM 2449 CD PRO A 155 8.670 -5.869 0.963 1.00 1.02 C ATOM 0 HA PRO A 155 7.573 -4.271 3.539 1.00 1.09 H new ATOM 0 HB2 PRO A 155 7.344 -6.991 3.815 1.00 1.23 H new ATOM 0 HB3 PRO A 155 6.351 -6.117 2.666 1.00 1.23 H new ATOM 0 HG2 PRO A 155 8.910 -7.689 2.139 1.00 1.10 H new ATOM 0 HG3 PRO A 155 7.440 -7.655 1.185 1.00 1.10 H new ATOM 0 HD2 PRO A 155 9.625 -6.130 0.507 1.00 1.02 H new ATOM 0 HD3 PRO A 155 7.993 -5.600 0.153 1.00 1.02 H new ATOM 2457 N ASP A 156 10.425 -5.822 3.953 1.00 0.97 N ATOM 2458 CA ASP A 156 11.521 -6.121 4.881 1.00 1.04 C ATOM 2459 C ASP A 156 12.350 -4.862 5.202 1.00 1.17 C ATOM 2460 O ASP A 156 13.284 -4.871 6.001 1.00 1.52 O ATOM 2461 CB ASP A 156 12.370 -7.236 4.238 1.00 1.21 C ATOM 2462 CG ASP A 156 12.982 -6.828 2.892 1.00 1.32 C ATOM 2463 OD1 ASP A 156 12.220 -6.492 1.954 1.00 2.36 O ATOM 2464 OD2 ASP A 156 14.231 -6.744 2.830 1.00 2.18 O ATOM 0 H ASP A 156 10.655 -6.056 2.987 1.00 0.97 H new ATOM 0 HA ASP A 156 11.132 -6.460 5.841 1.00 1.04 H new ATOM 0 HB2 ASP A 156 13.170 -7.516 4.924 1.00 1.21 H new ATOM 0 HB3 ASP A 156 11.749 -8.120 4.094 1.00 1.21 H new ATOM 2469 N LYS A 157 12.020 -3.758 4.527 1.00 0.85 N ATOM 2470 CA LYS A 157 12.411 -2.396 4.825 1.00 0.86 C ATOM 2471 C LYS A 157 11.306 -1.700 5.646 1.00 1.18 C ATOM 2472 O LYS A 157 11.626 -1.058 6.647 1.00 1.26 O ATOM 2473 CB LYS A 157 12.654 -1.721 3.464 1.00 0.89 C ATOM 2474 CG LYS A 157 13.868 -2.167 2.623 1.00 1.28 C ATOM 2475 CD LYS A 157 14.531 -3.546 2.780 1.00 2.04 C ATOM 2476 CE LYS A 157 15.346 -3.717 4.075 1.00 2.44 C ATOM 2477 NZ LYS A 157 15.781 -5.121 4.268 1.00 3.32 N ATOM 0 H LYS A 157 11.428 -3.807 3.698 1.00 0.85 H new ATOM 0 HA LYS A 157 13.314 -2.341 5.433 1.00 0.86 H new ATOM 0 HB2 LYS A 157 11.760 -1.868 2.858 1.00 0.89 H new ATOM 0 HB3 LYS A 157 12.748 -0.649 3.639 1.00 0.89 H new ATOM 0 HG2 LYS A 157 13.569 -2.084 1.578 1.00 1.28 H new ATOM 0 HG3 LYS A 157 14.650 -1.426 2.790 1.00 1.28 H new ATOM 0 HD2 LYS A 157 13.757 -4.313 2.748 1.00 2.04 H new ATOM 0 HD3 LYS A 157 15.187 -3.719 1.927 1.00 2.04 H new ATOM 0 HE2 LYS A 157 16.220 -3.066 4.043 1.00 2.44 H new ATOM 0 HE3 LYS A 157 14.745 -3.402 4.928 1.00 2.44 H new ATOM 0 HZ1 LYS A 157 15.404 -5.481 5.168 1.00 3.32 H new ATOM 0 HZ2 LYS A 157 15.425 -5.706 3.485 1.00 3.32 H new ATOM 0 HZ3 LYS A 157 16.820 -5.163 4.286 1.00 3.32 H new ATOM 2491 N ALA A 158 10.030 -1.887 5.284 1.00 0.77 N ATOM 2492 CA ALA A 158 8.870 -1.277 5.930 1.00 0.77 C ATOM 2493 C ALA A 158 8.768 -1.586 7.431 1.00 1.07 C ATOM 2494 O ALA A 158 8.388 -0.697 8.190 1.00 1.18 O ATOM 2495 CB ALA A 158 7.603 -1.719 5.181 1.00 0.75 C ATOM 0 H ALA A 158 9.772 -2.491 4.503 1.00 0.77 H new ATOM 0 HA ALA A 158 8.986 -0.195 5.873 1.00 0.77 H new ATOM 0 HB1 ALA A 158 6.727 -1.272 5.652 1.00 0.75 H new ATOM 0 HB2 ALA A 158 7.662 -1.394 4.142 1.00 0.75 H new ATOM 0 HB3 ALA A 158 7.519 -2.805 5.217 1.00 0.75 H new ATOM 2501 N GLU A 159 9.167 -2.789 7.872 1.00 0.83 N ATOM 2502 CA GLU A 159 9.198 -3.160 9.295 1.00 0.98 C ATOM 2503 C GLU A 159 9.983 -2.170 10.184 1.00 1.42 C ATOM 2504 O GLU A 159 9.621 -1.947 11.345 1.00 1.71 O ATOM 2505 CB GLU A 159 9.720 -4.595 9.469 1.00 1.20 C ATOM 2506 CG GLU A 159 8.743 -5.646 8.914 1.00 1.31 C ATOM 2507 CD GLU A 159 9.120 -7.046 9.400 1.00 2.04 C ATOM 2508 OE1 GLU A 159 10.220 -7.505 9.018 1.00 3.08 O ATOM 2509 OE2 GLU A 159 8.310 -7.623 10.161 1.00 2.75 O ATOM 0 H GLU A 159 9.478 -3.534 7.249 1.00 0.83 H new ATOM 0 HA GLU A 159 8.166 -3.109 9.643 1.00 0.98 H new ATOM 0 HB2 GLU A 159 10.681 -4.693 8.963 1.00 1.20 H new ATOM 0 HB3 GLU A 159 9.896 -4.789 10.527 1.00 1.20 H new ATOM 0 HG2 GLU A 159 7.727 -5.408 9.229 1.00 1.31 H new ATOM 0 HG3 GLU A 159 8.753 -5.619 7.824 1.00 1.31 H new ATOM 2516 N ALA A 160 11.027 -1.522 9.644 1.00 1.08 N ATOM 2517 CA ALA A 160 11.847 -0.540 10.364 1.00 1.15 C ATOM 2518 C ALA A 160 11.102 0.793 10.596 1.00 1.31 C ATOM 2519 O ALA A 160 11.433 1.819 9.985 1.00 1.28 O ATOM 2520 CB ALA A 160 13.192 -0.375 9.636 1.00 1.16 C ATOM 0 H ALA A 160 11.328 -1.669 8.681 1.00 1.08 H new ATOM 0 HA ALA A 160 12.052 -0.912 11.368 1.00 1.15 H new ATOM 0 HB1 ALA A 160 13.806 0.353 10.166 1.00 1.16 H new ATOM 0 HB2 ALA A 160 13.710 -1.334 9.607 1.00 1.16 H new ATOM 0 HB3 ALA A 160 13.015 -0.028 8.618 1.00 1.16 H new ATOM 2526 N THR A 161 10.141 0.779 11.533 1.00 1.19 N ATOM 2527 CA THR A 161 9.274 1.903 11.950 1.00 1.24 C ATOM 2528 C THR A 161 10.006 3.237 11.945 1.00 1.37 C ATOM 2529 O THR A 161 9.693 4.091 11.124 1.00 1.58 O ATOM 2530 CB THR A 161 8.684 1.616 13.339 1.00 1.33 C ATOM 2531 OG1 THR A 161 7.771 0.550 13.217 1.00 1.37 O ATOM 2532 CG2 THR A 161 7.923 2.805 13.933 1.00 1.48 C ATOM 0 H THR A 161 9.932 -0.071 12.056 1.00 1.19 H new ATOM 0 HA THR A 161 8.469 1.985 11.220 1.00 1.24 H new ATOM 0 HB THR A 161 9.520 1.389 14.001 1.00 1.33 H new ATOM 0 HG1 THR A 161 7.383 0.349 14.094 1.00 1.37 H new ATOM 0 HG21 THR A 161 7.533 2.534 14.914 1.00 1.48 H new ATOM 0 HG22 THR A 161 8.598 3.655 14.033 1.00 1.48 H new ATOM 0 HG23 THR A 161 7.096 3.073 13.275 1.00 1.48 H new ATOM 2540 N ASP A 162 11.024 3.421 12.777 1.00 1.34 N ATOM 2541 CA ASP A 162 11.668 4.729 12.943 1.00 1.41 C ATOM 2542 C ASP A 162 12.496 5.165 11.723 1.00 1.65 C ATOM 2543 O ASP A 162 12.701 6.363 11.518 1.00 1.71 O ATOM 2544 CB ASP A 162 12.478 4.717 14.243 1.00 1.54 C ATOM 2545 CG ASP A 162 11.531 4.509 15.426 1.00 1.88 C ATOM 2546 OD1 ASP A 162 11.182 3.333 15.673 1.00 2.10 O ATOM 2547 OD2 ASP A 162 11.083 5.533 15.996 1.00 3.14 O ATOM 0 H ASP A 162 11.427 2.681 13.352 1.00 1.34 H new ATOM 0 HA ASP A 162 10.891 5.490 13.015 1.00 1.41 H new ATOM 0 HB2 ASP A 162 13.222 3.921 14.214 1.00 1.54 H new ATOM 0 HB3 ASP A 162 13.019 5.656 14.356 1.00 1.54 H new ATOM 2552 N ARG A 163 12.911 4.218 10.866 1.00 1.31 N ATOM 2553 CA ARG A 163 13.442 4.528 9.533 1.00 1.30 C ATOM 2554 C ARG A 163 12.345 5.010 8.588 1.00 1.36 C ATOM 2555 O ARG A 163 12.533 6.036 7.941 1.00 1.60 O ATOM 2556 CB ARG A 163 14.162 3.322 8.912 1.00 1.29 C ATOM 2557 CG ARG A 163 15.313 2.757 9.755 1.00 1.43 C ATOM 2558 CD ARG A 163 16.323 3.809 10.217 1.00 1.86 C ATOM 2559 NE ARG A 163 16.777 4.689 9.117 1.00 3.10 N ATOM 2560 CZ ARG A 163 17.308 5.902 9.241 1.00 4.34 C ATOM 2561 NH1 ARG A 163 17.565 6.443 10.416 1.00 4.45 N ATOM 2562 NH2 ARG A 163 17.617 6.602 8.177 1.00 5.94 N ATOM 0 H ARG A 163 12.887 3.221 11.078 1.00 1.31 H new ATOM 0 HA ARG A 163 14.165 5.332 9.670 1.00 1.30 H new ATOM 0 HB2 ARG A 163 13.433 2.530 8.740 1.00 1.29 H new ATOM 0 HB3 ARG A 163 14.553 3.612 7.937 1.00 1.29 H new ATOM 0 HG2 ARG A 163 14.897 2.259 10.631 1.00 1.43 H new ATOM 0 HG3 ARG A 163 15.836 1.997 9.174 1.00 1.43 H new ATOM 0 HD2 ARG A 163 15.874 4.418 11.002 1.00 1.86 H new ATOM 0 HD3 ARG A 163 17.186 3.309 10.656 1.00 1.86 H new ATOM 0 HE ARG A 163 16.672 4.329 8.168 1.00 3.10 H new ATOM 0 HH11 ARG A 163 17.356 5.928 11.271 1.00 4.45 H new ATOM 0 HH12 ARG A 163 17.973 7.376 10.469 1.00 4.45 H new ATOM 0 HH21 ARG A 163 17.450 6.217 7.247 1.00 5.94 H new ATOM 0 HH22 ARG A 163 18.024 7.532 8.279 1.00 5.94 H new ATOM 2576 N VAL A 164 11.207 4.306 8.551 1.00 1.18 N ATOM 2577 CA VAL A 164 10.021 4.685 7.760 1.00 1.11 C ATOM 2578 C VAL A 164 9.545 6.071 8.184 1.00 1.31 C ATOM 2579 O VAL A 164 9.383 6.933 7.333 1.00 1.40 O ATOM 2580 CB VAL A 164 8.878 3.642 7.885 1.00 1.05 C ATOM 2581 CG1 VAL A 164 7.515 4.138 7.371 1.00 0.98 C ATOM 2582 CG2 VAL A 164 9.229 2.383 7.089 1.00 1.24 C ATOM 0 H VAL A 164 11.078 3.442 9.077 1.00 1.18 H new ATOM 0 HA VAL A 164 10.308 4.709 6.709 1.00 1.11 H new ATOM 0 HB VAL A 164 8.787 3.446 8.953 1.00 1.05 H new ATOM 0 HG11 VAL A 164 6.771 3.351 7.494 1.00 0.98 H new ATOM 0 HG12 VAL A 164 7.210 5.017 7.939 1.00 0.98 H new ATOM 0 HG13 VAL A 164 7.597 4.398 6.316 1.00 0.98 H new ATOM 0 HG21 VAL A 164 8.422 1.657 7.182 1.00 1.24 H new ATOM 0 HG22 VAL A 164 9.364 2.642 6.039 1.00 1.24 H new ATOM 0 HG23 VAL A 164 10.152 1.952 7.478 1.00 1.24 H new ATOM 2592 N VAL A 165 9.403 6.309 9.489 1.00 1.10 N ATOM 2593 CA VAL A 165 9.007 7.611 10.045 1.00 1.08 C ATOM 2594 C VAL A 165 9.923 8.732 9.553 1.00 1.27 C ATOM 2595 O VAL A 165 9.426 9.744 9.077 1.00 1.44 O ATOM 2596 CB VAL A 165 9.037 7.573 11.588 1.00 1.08 C ATOM 2597 CG1 VAL A 165 8.851 8.945 12.266 1.00 1.15 C ATOM 2598 CG2 VAL A 165 7.956 6.631 12.120 1.00 1.25 C ATOM 0 H VAL A 165 9.561 5.596 10.201 1.00 1.10 H new ATOM 0 HA VAL A 165 7.992 7.813 9.703 1.00 1.08 H new ATOM 0 HB VAL A 165 10.038 7.220 11.838 1.00 1.08 H new ATOM 0 HG11 VAL A 165 8.886 8.824 13.349 1.00 1.15 H new ATOM 0 HG12 VAL A 165 9.649 9.618 11.951 1.00 1.15 H new ATOM 0 HG13 VAL A 165 7.887 9.365 11.979 1.00 1.15 H new ATOM 0 HG21 VAL A 165 7.991 6.616 13.209 1.00 1.25 H new ATOM 0 HG22 VAL A 165 6.976 6.980 11.793 1.00 1.25 H new ATOM 0 HG23 VAL A 165 8.129 5.625 11.737 1.00 1.25 H new ATOM 2608 N ALA A 166 11.245 8.576 9.655 1.00 1.11 N ATOM 2609 CA ALA A 166 12.224 9.610 9.289 1.00 1.16 C ATOM 2610 C ALA A 166 12.346 9.871 7.780 1.00 1.34 C ATOM 2611 O ALA A 166 12.836 10.932 7.398 1.00 1.51 O ATOM 2612 CB ALA A 166 13.566 9.143 9.856 1.00 1.22 C ATOM 0 H ALA A 166 11.675 7.717 9.999 1.00 1.11 H new ATOM 0 HA ALA A 166 11.894 10.563 9.701 1.00 1.16 H new ATOM 0 HB1 ALA A 166 14.337 9.874 9.615 1.00 1.22 H new ATOM 0 HB2 ALA A 166 13.488 9.041 10.938 1.00 1.22 H new ATOM 0 HB3 ALA A 166 13.830 8.180 9.419 1.00 1.22 H new ATOM 2618 N ASP A 167 11.913 8.938 6.938 1.00 1.16 N ATOM 2619 CA ASP A 167 11.775 9.102 5.501 1.00 1.19 C ATOM 2620 C ASP A 167 10.412 9.753 5.170 1.00 1.44 C ATOM 2621 O ASP A 167 10.364 10.709 4.397 1.00 1.43 O ATOM 2622 CB ASP A 167 12.002 7.692 4.949 1.00 1.30 C ATOM 2623 CG ASP A 167 12.095 7.600 3.434 1.00 1.62 C ATOM 2624 OD1 ASP A 167 11.051 7.818 2.797 1.00 2.68 O ATOM 2625 OD2 ASP A 167 13.171 7.188 2.936 1.00 2.06 O ATOM 0 H ASP A 167 11.638 8.009 7.255 1.00 1.16 H new ATOM 0 HA ASP A 167 12.487 9.786 5.039 1.00 1.19 H new ATOM 0 HB2 ASP A 167 12.921 7.294 5.379 1.00 1.30 H new ATOM 0 HB3 ASP A 167 11.188 7.051 5.287 1.00 1.30 H new ATOM 2630 N LEU A 168 9.339 9.377 5.891 1.00 1.05 N ATOM 2631 CA LEU A 168 8.020 10.042 5.878 1.00 1.04 C ATOM 2632 C LEU A 168 8.101 11.519 6.262 1.00 1.46 C ATOM 2633 O LEU A 168 7.330 12.334 5.768 1.00 1.59 O ATOM 2634 CB LEU A 168 7.049 9.369 6.889 1.00 1.11 C ATOM 2635 CG LEU A 168 5.891 8.535 6.322 1.00 1.30 C ATOM 2636 CD1 LEU A 168 5.010 9.337 5.359 1.00 2.77 C ATOM 2637 CD2 LEU A 168 6.411 7.269 5.655 1.00 1.81 C ATOM 0 H LEU A 168 9.366 8.575 6.520 1.00 1.05 H new ATOM 0 HA LEU A 168 7.658 9.948 4.854 1.00 1.04 H new ATOM 0 HB2 LEU A 168 7.638 8.724 7.541 1.00 1.11 H new ATOM 0 HB3 LEU A 168 6.622 10.152 7.516 1.00 1.11 H new ATOM 0 HG LEU A 168 5.262 8.251 7.165 1.00 1.30 H new ATOM 0 HD11 LEU A 168 4.206 8.702 4.986 1.00 2.77 H new ATOM 0 HD12 LEU A 168 4.583 10.192 5.883 1.00 2.77 H new ATOM 0 HD13 LEU A 168 5.613 9.688 4.521 1.00 2.77 H new ATOM 0 HD21 LEU A 168 5.573 6.695 5.261 1.00 1.81 H new ATOM 0 HD22 LEU A 168 7.082 7.537 4.839 1.00 1.81 H new ATOM 0 HD23 LEU A 168 6.951 6.668 6.387 1.00 1.81 H new ATOM 2649 N GLN A 169 8.982 11.861 7.198 1.00 1.11 N ATOM 2650 CA GLN A 169 9.060 13.182 7.826 1.00 1.15 C ATOM 2651 C GLN A 169 9.567 14.263 6.857 1.00 1.63 C ATOM 2652 O GLN A 169 9.338 15.444 7.097 1.00 1.69 O ATOM 2653 CB GLN A 169 9.931 13.053 9.090 1.00 1.18 C ATOM 2654 CG GLN A 169 9.190 12.409 10.286 1.00 1.20 C ATOM 2655 CD GLN A 169 8.939 13.306 11.497 1.00 1.50 C ATOM 2656 OE1 GLN A 169 7.815 13.658 11.831 1.00 2.32 O ATOM 2657 NE2 GLN A 169 9.956 13.671 12.242 1.00 1.76 N ATOM 0 H GLN A 169 9.683 11.210 7.553 1.00 1.11 H new ATOM 0 HA GLN A 169 8.062 13.517 8.109 1.00 1.15 H new ATOM 0 HB2 GLN A 169 10.813 12.457 8.855 1.00 1.18 H new ATOM 0 HB3 GLN A 169 10.284 14.042 9.381 1.00 1.18 H new ATOM 0 HG2 GLN A 169 8.228 12.038 9.931 1.00 1.20 H new ATOM 0 HG3 GLN A 169 9.764 11.543 10.616 1.00 1.20 H new ATOM 0 HE21 GLN A 169 10.903 13.391 11.986 1.00 1.76 H new ATOM 0 HE22 GLN A 169 9.800 14.235 13.077 1.00 1.76 H new ATOM 2666 N ALA A 170 10.234 13.881 5.760 1.00 1.58 N ATOM 2667 CA ALA A 170 10.460 14.746 4.597 1.00 1.95 C ATOM 2668 C ALA A 170 9.265 14.906 3.631 1.00 2.10 C ATOM 2669 O ALA A 170 9.271 15.814 2.799 1.00 2.54 O ATOM 2670 CB ALA A 170 11.658 14.170 3.855 1.00 2.20 C ATOM 0 H ALA A 170 10.637 12.950 5.655 1.00 1.58 H new ATOM 0 HA ALA A 170 10.624 15.757 4.971 1.00 1.95 H new ATOM 0 HB1 ALA A 170 11.869 14.780 2.977 1.00 2.20 H new ATOM 0 HB2 ALA A 170 12.527 14.168 4.513 1.00 2.20 H new ATOM 0 HB3 ALA A 170 11.437 13.149 3.543 1.00 2.20 H new ATOM 2676 N LEU A 171 8.304 13.977 3.659 1.00 1.66 N ATOM 2677 CA LEU A 171 7.257 13.810 2.634 1.00 1.66 C ATOM 2678 C LEU A 171 5.918 14.462 3.000 1.00 1.98 C ATOM 2679 O LEU A 171 4.996 14.390 2.191 1.00 2.21 O ATOM 2680 CB LEU A 171 7.036 12.308 2.359 1.00 1.52 C ATOM 2681 CG LEU A 171 8.246 11.551 1.791 1.00 1.37 C ATOM 2682 CD1 LEU A 171 7.845 10.084 1.602 1.00 1.46 C ATOM 2683 CD2 LEU A 171 8.731 12.139 0.455 1.00 1.72 C ATOM 0 H LEU A 171 8.227 13.298 4.416 1.00 1.66 H new ATOM 0 HA LEU A 171 7.618 14.323 1.743 1.00 1.66 H new ATOM 0 HB2 LEU A 171 6.734 11.827 3.290 1.00 1.52 H new ATOM 0 HB3 LEU A 171 6.205 12.203 1.662 1.00 1.52 H new ATOM 0 HG LEU A 171 9.074 11.644 2.493 1.00 1.37 H new ATOM 0 HD11 LEU A 171 8.689 9.525 1.199 1.00 1.46 H new ATOM 0 HD12 LEU A 171 7.554 9.660 2.563 1.00 1.46 H new ATOM 0 HD13 LEU A 171 7.005 10.023 0.910 1.00 1.46 H new ATOM 0 HD21 LEU A 171 9.588 11.569 0.096 1.00 1.72 H new ATOM 0 HD22 LEU A 171 7.927 12.087 -0.279 1.00 1.72 H new ATOM 0 HD23 LEU A 171 9.023 13.179 0.600 1.00 1.72 H new ATOM 2695 N LEU A 172 5.799 15.055 4.191 1.00 1.73 N ATOM 2696 CA LEU A 172 4.583 15.694 4.736 1.00 1.80 C ATOM 2697 C LEU A 172 4.089 17.001 4.057 1.00 2.08 C ATOM 2698 O LEU A 172 2.971 17.438 4.412 1.00 2.71 O ATOM 2699 CB LEU A 172 4.652 15.668 6.273 1.00 2.00 C ATOM 2700 CG LEU A 172 5.928 16.230 6.892 1.00 1.81 C ATOM 2701 CD1 LEU A 172 6.122 17.645 6.385 1.00 3.22 C ATOM 2702 CD2 LEU A 172 5.802 16.195 8.409 1.00 2.41 C ATOM 2703 OXT LEU A 172 4.712 17.482 3.088 1.00 2.39 O ATOM 0 H LEU A 172 6.584 15.109 4.840 1.00 1.73 H new ATOM 0 HA LEU A 172 3.730 15.085 4.436 1.00 1.80 H new ATOM 0 HB2 LEU A 172 3.803 16.229 6.665 1.00 2.00 H new ATOM 0 HB3 LEU A 172 4.534 14.637 6.605 1.00 2.00 H new ATOM 0 HG LEU A 172 6.797 15.635 6.611 1.00 1.81 H new ATOM 0 HD11 LEU A 172 7.030 18.065 6.817 1.00 3.22 H new ATOM 0 HD12 LEU A 172 6.208 17.634 5.298 1.00 3.22 H new ATOM 0 HD13 LEU A 172 5.267 18.256 6.675 1.00 3.22 H new ATOM 0 HD21 LEU A 172 6.711 16.595 8.859 1.00 2.41 H new ATOM 0 HD22 LEU A 172 4.948 16.798 8.717 1.00 2.41 H new ATOM 0 HD23 LEU A 172 5.657 15.166 8.738 1.00 2.41 H new