USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 815 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 109 THR OG1 : rot 180:sc= 0.361 USER MOD Set 1.2: A 112 ASN : amide:sc= 0.809 K(o=1.2,f=-0.86!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ -174:sc= 1.75 (180deg=0) USER MOD Set 2.2: A 85 SER OG : rot -130:sc= 0.836 USER MOD Set 2.3: A 89 CYS SG : rot -9:sc= 0.776 USER MOD Set 3.1: A 80 HIS : no HD1:sc= 0.937 K(o=2.5,f=-8.5!) USER MOD Set 3.2: A 118 ASN : amide:sc= 1.57 K(o=2.5,f=-6.4) USER MOD Set 4.1: A 23 HIS : no HE2:sc= 0.355 K(o=1.7,f=-4.7!) USER MOD Set 4.2: A 35 HIS : no HE2:sc= 0.829 K(o=1.7,f=-4.8!) USER MOD Set 4.3: A 113 CYS SG : rot 74:sc= 0.564 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 178:sc= 1.24 (180deg=1.19) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc= 1.27 (180deg=1.17) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -120:sc= 0.565 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 1.51 (180deg=0.443) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 1.04 K(o=1,f=-1.1) USER MOD Single : A 77 ASN : amide:sc= 1.06 K(o=1.1,f=-1.4) USER MOD Single : A 78 ASN : amide:sc= 0.158! C(o=0.16!,f=-4.3!) USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 1.23 (180deg=1.06) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 52:sc= 0.0131 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0099 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 0.359 K(o=0.36,f=-8.7!) USER MOD Single : A 102 GLN : amide:sc= 0.834 K(o=0.83,f=-0.096) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -70:sc= 1.26 USER MOD Single : A 115 HIS : no HD1:sc= 0.18 K(o=0.18,f=-2.6!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N PRO A 8 6.032 -4.531 9.077 1.00 0.00 N ATOM 117 CA PRO A 8 5.148 -5.669 8.829 1.00 0.00 C ATOM 118 C PRO A 8 5.060 -6.569 10.070 1.00 0.00 C ATOM 119 O PRO A 8 6.094 -6.944 10.634 1.00 0.00 O ATOM 120 CB PRO A 8 5.740 -6.415 7.626 1.00 0.00 C ATOM 121 CG PRO A 8 6.579 -5.351 6.918 1.00 0.00 C ATOM 122 CD PRO A 8 7.072 -4.469 8.062 1.00 0.00 C ATOM 0 HA PRO A 8 4.128 -5.348 8.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.350 -7.262 7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.959 -6.808 6.975 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.408 -5.795 6.367 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.986 -4.784 6.200 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.024 -4.829 8.453 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.232 -3.444 7.726 1.00 0.00 H new ATOM 130 N LYS A 9 3.848 -6.910 10.516 1.00 0.00 N ATOM 131 CA LYS A 9 3.679 -7.827 11.643 1.00 0.00 C ATOM 132 C LYS A 9 3.824 -9.267 11.141 1.00 0.00 C ATOM 133 O LYS A 9 3.503 -9.534 9.978 1.00 0.00 O ATOM 134 CB LYS A 9 2.340 -7.601 12.371 1.00 0.00 C ATOM 135 CG LYS A 9 1.073 -7.952 11.573 1.00 0.00 C ATOM 136 CD LYS A 9 -0.160 -8.120 12.472 1.00 0.00 C ATOM 137 CE LYS A 9 -1.349 -8.568 11.609 1.00 0.00 C ATOM 138 NZ LYS A 9 -2.588 -8.795 12.397 1.00 0.00 N ATOM 0 H LYS A 9 2.975 -6.567 10.116 1.00 0.00 H new ATOM 0 HA LYS A 9 4.456 -7.631 12.381 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.343 -8.191 13.288 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.281 -6.553 12.666 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.880 -7.168 10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.242 -8.874 11.017 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.039 -8.856 13.251 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.391 -7.180 12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.543 -7.812 10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.085 -9.487 11.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.325 -9.192 11.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.390 -9.461 13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.918 -7.892 12.793 1.00 0.00 H new ATOM 152 N PRO A 10 4.285 -10.217 11.971 1.00 0.00 N ATOM 153 CA PRO A 10 4.212 -11.633 11.640 1.00 0.00 C ATOM 154 C PRO A 10 2.770 -11.988 11.241 1.00 0.00 C ATOM 155 O PRO A 10 1.819 -11.605 11.926 1.00 0.00 O ATOM 156 CB PRO A 10 4.703 -12.374 12.889 1.00 0.00 C ATOM 157 CG PRO A 10 5.600 -11.344 13.577 1.00 0.00 C ATOM 158 CD PRO A 10 4.892 -10.026 13.277 1.00 0.00 C ATOM 0 HA PRO A 10 4.830 -11.914 10.787 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.874 -12.677 13.529 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.254 -13.278 12.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 5.678 -11.527 14.649 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.614 -11.359 13.177 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.140 -9.800 14.033 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.595 -9.193 13.268 1.00 0.00 H new ATOM 166 N GLY A 11 2.611 -12.687 10.117 1.00 0.00 N ATOM 167 CA GLY A 11 1.326 -13.030 9.529 1.00 0.00 C ATOM 168 C GLY A 11 0.876 -12.038 8.454 1.00 0.00 C ATOM 169 O GLY A 11 -0.196 -12.228 7.885 1.00 0.00 O ATOM 0 H GLY A 11 3.402 -13.039 9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.387 -14.027 9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.572 -13.072 10.315 1.00 0.00 H new ATOM 173 N ASP A 12 1.633 -10.973 8.169 1.00 0.00 N ATOM 174 CA ASP A 12 1.280 -10.036 7.100 1.00 0.00 C ATOM 175 C ASP A 12 1.535 -10.648 5.730 1.00 0.00 C ATOM 176 O ASP A 12 2.477 -11.426 5.550 1.00 0.00 O ATOM 177 CB ASP A 12 2.038 -8.706 7.225 1.00 0.00 C ATOM 178 CG ASP A 12 1.336 -7.693 8.138 1.00 0.00 C ATOM 179 OD1 ASP A 12 0.143 -7.891 8.475 1.00 0.00 O ATOM 180 OD2 ASP A 12 1.948 -6.649 8.447 1.00 0.00 O ATOM 0 H ASP A 12 2.494 -10.739 8.664 1.00 0.00 H new ATOM 0 HA ASP A 12 0.215 -9.828 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.039 -8.901 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.158 -8.269 6.234 1.00 0.00 H new ATOM 185 N LEU A 13 0.706 -10.262 4.754 1.00 0.00 N ATOM 186 CA LEU A 13 0.910 -10.622 3.359 1.00 0.00 C ATOM 187 C LEU A 13 2.076 -9.812 2.808 1.00 0.00 C ATOM 188 O LEU A 13 2.118 -8.588 2.974 1.00 0.00 O ATOM 189 CB LEU A 13 -0.314 -10.296 2.486 1.00 0.00 C ATOM 190 CG LEU A 13 -1.632 -11.042 2.743 1.00 0.00 C ATOM 191 CD1 LEU A 13 -2.547 -10.826 1.537 1.00 0.00 C ATOM 192 CD2 LEU A 13 -1.413 -12.533 2.971 1.00 0.00 C ATOM 0 H LEU A 13 -0.124 -9.691 4.916 1.00 0.00 H new ATOM 0 HA LEU A 13 1.094 -11.696 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.515 -9.229 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.034 -10.472 1.447 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.086 -10.646 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.490 -11.348 1.698 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.739 -9.760 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.065 -11.216 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.373 -13.019 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.942 -12.970 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.767 -12.678 3.837 1.00 0.00 H new ATOM 204 N ILE A 14 2.955 -10.472 2.061 1.00 0.00 N ATOM 205 CA ILE A 14 4.088 -9.863 1.392 1.00 0.00 C ATOM 206 C ILE A 14 3.925 -10.171 -0.091 1.00 0.00 C ATOM 207 O ILE A 14 3.812 -11.339 -0.473 1.00 0.00 O ATOM 208 CB ILE A 14 5.408 -10.450 1.947 1.00 0.00 C ATOM 209 CG1 ILE A 14 5.574 -10.272 3.473 1.00 0.00 C ATOM 210 CG2 ILE A 14 6.618 -9.868 1.197 1.00 0.00 C ATOM 211 CD1 ILE A 14 5.639 -8.821 3.973 1.00 0.00 C ATOM 0 H ILE A 14 2.892 -11.478 1.903 1.00 0.00 H new ATOM 0 HA ILE A 14 4.126 -8.786 1.557 1.00 0.00 H new ATOM 0 HB ILE A 14 5.357 -11.525 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.743 -10.771 3.971 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.485 -10.784 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.536 -10.293 1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 14 6.541 -10.113 0.138 1.00 0.00 H new ATOM 0 HG23 ILE A 14 6.635 -8.785 1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.756 -8.814 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.488 -8.315 3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.719 -8.302 3.704 1.00 0.00 H new ATOM 223 N GLU A 15 3.913 -9.135 -0.924 1.00 0.00 N ATOM 224 CA GLU A 15 4.052 -9.315 -2.354 1.00 0.00 C ATOM 225 C GLU A 15 5.537 -9.123 -2.659 1.00 0.00 C ATOM 226 O GLU A 15 6.246 -8.373 -1.988 1.00 0.00 O ATOM 227 CB GLU A 15 3.143 -8.381 -3.165 1.00 0.00 C ATOM 228 CG GLU A 15 3.560 -6.907 -3.136 1.00 0.00 C ATOM 229 CD GLU A 15 2.701 -6.046 -4.073 1.00 0.00 C ATOM 230 OE1 GLU A 15 1.455 -6.062 -3.959 1.00 0.00 O ATOM 231 OE2 GLU A 15 3.284 -5.320 -4.908 1.00 0.00 O ATOM 0 H GLU A 15 3.808 -8.165 -0.628 1.00 0.00 H new ATOM 0 HA GLU A 15 3.723 -10.310 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.126 -8.720 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.125 -8.465 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.477 -6.527 -2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.608 -6.821 -3.424 1.00 0.00 H new ATOM 238 N ILE A 16 5.991 -9.802 -3.695 1.00 0.00 N ATOM 239 CA ILE A 16 7.365 -9.964 -4.115 1.00 0.00 C ATOM 240 C ILE A 16 7.346 -9.513 -5.567 1.00 0.00 C ATOM 241 O ILE A 16 6.684 -10.142 -6.393 1.00 0.00 O ATOM 242 CB ILE A 16 7.735 -11.459 -3.971 1.00 0.00 C ATOM 243 CG1 ILE A 16 7.675 -11.993 -2.522 1.00 0.00 C ATOM 244 CG2 ILE A 16 9.083 -11.762 -4.637 1.00 0.00 C ATOM 245 CD1 ILE A 16 8.798 -11.500 -1.609 1.00 0.00 C ATOM 0 H ILE A 16 5.350 -10.296 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 16 8.097 -9.400 -3.537 1.00 0.00 H new ATOM 0 HB ILE A 16 6.957 -12.007 -4.502 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.718 -11.708 -2.084 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.701 -13.082 -2.550 1.00 0.00 H new ATOM 0 HG21 ILE A 16 9.317 -12.820 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.028 -11.518 -5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 16 9.864 -11.164 -4.167 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.672 -11.927 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 16 9.761 -11.808 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.763 -10.413 -1.544 1.00 0.00 H new ATOM 257 N PHE A 17 8.011 -8.408 -5.887 1.00 0.00 N ATOM 258 CA PHE A 17 8.090 -7.950 -7.266 1.00 0.00 C ATOM 259 C PHE A 17 8.987 -8.907 -8.053 1.00 0.00 C ATOM 260 O PHE A 17 10.092 -9.235 -7.612 1.00 0.00 O ATOM 261 CB PHE A 17 8.581 -6.494 -7.329 1.00 0.00 C ATOM 262 CG PHE A 17 7.555 -5.581 -7.966 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.504 -5.049 -7.190 1.00 0.00 C ATOM 264 CD2 PHE A 17 7.611 -5.313 -9.347 1.00 0.00 C ATOM 265 CE1 PHE A 17 5.521 -4.248 -7.797 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.629 -4.505 -9.949 1.00 0.00 C ATOM 267 CZ PHE A 17 5.585 -3.973 -9.174 1.00 0.00 C ATOM 0 H PHE A 17 8.500 -7.817 -5.214 1.00 0.00 H new ATOM 0 HA PHE A 17 7.100 -7.957 -7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.805 -6.142 -6.322 1.00 0.00 H new ATOM 0 HB3 PHE A 17 9.510 -6.448 -7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.455 -5.257 -6.131 1.00 0.00 H new ATOM 0 HD2 PHE A 17 8.409 -5.728 -9.945 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.715 -3.843 -7.204 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.678 -4.294 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.831 -3.353 -9.636 1.00 0.00 H new ATOM 277 N ARG A 18 8.521 -9.348 -9.223 1.00 0.00 N ATOM 278 CA ARG A 18 9.227 -10.245 -10.134 1.00 0.00 C ATOM 279 C ARG A 18 9.417 -9.510 -11.465 1.00 0.00 C ATOM 280 O ARG A 18 8.799 -8.459 -11.646 1.00 0.00 O ATOM 281 CB ARG A 18 8.342 -11.479 -10.332 1.00 0.00 C ATOM 282 CG ARG A 18 8.217 -12.386 -9.094 1.00 0.00 C ATOM 283 CD ARG A 18 9.298 -13.467 -9.120 1.00 0.00 C ATOM 284 NE ARG A 18 9.129 -14.463 -8.039 1.00 0.00 N ATOM 285 CZ ARG A 18 9.814 -14.547 -6.887 1.00 0.00 C ATOM 286 NH1 ARG A 18 10.851 -13.759 -6.634 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.441 -15.434 -5.970 1.00 0.00 N ATOM 0 H ARG A 18 7.603 -9.077 -9.574 1.00 0.00 H new ATOM 0 HA ARG A 18 10.200 -10.544 -9.745 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.345 -11.151 -10.627 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.742 -12.067 -11.158 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.311 -11.790 -8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.230 -12.849 -9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.276 -13.975 -10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.278 -12.999 -9.028 1.00 0.00 H new ATOM 0 HE ARG A 18 8.407 -15.169 -8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.146 -13.067 -7.323 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.353 -13.845 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.641 -16.043 -6.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.954 -15.506 -5.092 1.00 0.00 H new ATOM 301 N PRO A 19 10.229 -10.018 -12.410 1.00 0.00 N ATOM 302 CA PRO A 19 10.418 -9.386 -13.709 1.00 0.00 C ATOM 303 C PRO A 19 9.106 -9.228 -14.484 1.00 0.00 C ATOM 304 O PRO A 19 8.630 -10.134 -15.166 1.00 0.00 O ATOM 305 CB PRO A 19 11.462 -10.208 -14.458 1.00 0.00 C ATOM 306 CG PRO A 19 12.191 -10.959 -13.346 1.00 0.00 C ATOM 307 CD PRO A 19 11.088 -11.188 -12.313 1.00 0.00 C ATOM 0 HA PRO A 19 10.773 -8.363 -13.585 1.00 0.00 H new ATOM 0 HB2 PRO A 19 10.999 -10.893 -15.168 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.142 -9.572 -15.025 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.613 -11.899 -13.702 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.015 -10.375 -12.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.534 -12.103 -12.524 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.502 -11.291 -11.310 1.00 0.00 H new ATOM 315 N PHE A 20 8.542 -8.035 -14.362 1.00 0.00 N ATOM 316 CA PHE A 20 7.254 -7.602 -14.902 1.00 0.00 C ATOM 317 C PHE A 20 6.066 -8.461 -14.423 1.00 0.00 C ATOM 318 O PHE A 20 5.059 -8.561 -15.131 1.00 0.00 O ATOM 319 CB PHE A 20 7.337 -7.450 -16.435 1.00 0.00 C ATOM 320 CG PHE A 20 8.514 -6.623 -16.927 1.00 0.00 C ATOM 321 CD1 PHE A 20 8.471 -5.217 -16.851 1.00 0.00 C ATOM 322 CD2 PHE A 20 9.659 -7.257 -17.448 1.00 0.00 C ATOM 323 CE1 PHE A 20 9.564 -4.451 -17.292 1.00 0.00 C ATOM 324 CE2 PHE A 20 10.753 -6.490 -17.889 1.00 0.00 C ATOM 325 CZ PHE A 20 10.706 -5.086 -17.812 1.00 0.00 C ATOM 0 H PHE A 20 9.004 -7.287 -13.845 1.00 0.00 H new ATOM 0 HA PHE A 20 7.039 -6.615 -14.492 1.00 0.00 H new ATOM 0 HB2 PHE A 20 7.395 -8.442 -16.883 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.414 -6.993 -16.792 1.00 0.00 H new ATOM 0 HD1 PHE A 20 7.595 -4.726 -16.453 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.697 -8.335 -17.509 1.00 0.00 H new ATOM 0 HE1 PHE A 20 9.527 -3.373 -17.231 1.00 0.00 H new ATOM 0 HE2 PHE A 20 11.630 -6.979 -18.287 1.00 0.00 H new ATOM 0 HZ PHE A 20 11.545 -4.497 -18.152 1.00 0.00 H new ATOM 335 N TYR A 21 6.146 -9.072 -13.233 1.00 0.00 N ATOM 336 CA TYR A 21 5.012 -9.726 -12.570 1.00 0.00 C ATOM 337 C TYR A 21 5.184 -9.627 -11.047 1.00 0.00 C ATOM 338 O TYR A 21 5.995 -8.829 -10.571 1.00 0.00 O ATOM 339 CB TYR A 21 4.786 -11.159 -13.105 1.00 0.00 C ATOM 340 CG TYR A 21 5.852 -12.215 -12.849 1.00 0.00 C ATOM 341 CD1 TYR A 21 6.874 -12.433 -13.788 1.00 0.00 C ATOM 342 CD2 TYR A 21 5.754 -13.070 -11.736 1.00 0.00 C ATOM 343 CE1 TYR A 21 7.788 -13.489 -13.620 1.00 0.00 C ATOM 344 CE2 TYR A 21 6.640 -14.147 -11.566 1.00 0.00 C ATOM 345 CZ TYR A 21 7.667 -14.363 -12.516 1.00 0.00 C ATOM 346 OH TYR A 21 8.541 -15.400 -12.378 1.00 0.00 O ATOM 0 H TYR A 21 7.012 -9.126 -12.698 1.00 0.00 H new ATOM 0 HA TYR A 21 4.086 -9.204 -12.813 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.851 -11.525 -12.682 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.643 -11.090 -14.183 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.959 -11.784 -14.647 1.00 0.00 H new ATOM 0 HD2 TYR A 21 4.984 -12.895 -10.999 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.584 -13.632 -14.336 1.00 0.00 H new ATOM 0 HE2 TYR A 21 6.538 -14.806 -10.716 1.00 0.00 H new ATOM 0 HH TYR A 21 8.323 -15.906 -11.567 1.00 0.00 H new ATOM 356 N ARG A 22 4.444 -10.413 -10.257 1.00 0.00 N ATOM 357 CA ARG A 22 4.619 -10.471 -8.808 1.00 0.00 C ATOM 358 C ARG A 22 4.390 -11.895 -8.323 1.00 0.00 C ATOM 359 O ARG A 22 3.729 -12.689 -8.990 1.00 0.00 O ATOM 360 CB ARG A 22 3.759 -9.417 -8.060 1.00 0.00 C ATOM 361 CG ARG A 22 2.269 -9.265 -8.426 1.00 0.00 C ATOM 362 CD ARG A 22 1.489 -10.580 -8.337 1.00 0.00 C ATOM 363 NE ARG A 22 0.024 -10.404 -8.375 1.00 0.00 N ATOM 364 CZ ARG A 22 -0.767 -10.352 -9.452 1.00 0.00 C ATOM 365 NH1 ARG A 22 -0.267 -10.272 -10.683 1.00 0.00 N ATOM 366 NH2 ARG A 22 -2.075 -10.397 -9.253 1.00 0.00 N ATOM 0 H ARG A 22 3.708 -11.026 -10.608 1.00 0.00 H new ATOM 0 HA ARG A 22 5.647 -10.200 -8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.814 -9.645 -6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.233 -8.446 -8.203 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.811 -8.533 -7.761 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.189 -8.870 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 22 1.790 -11.227 -9.161 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.761 -11.092 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.441 -10.311 -7.472 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.743 -10.249 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.894 -10.234 -11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.444 -10.469 -8.305 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.713 -10.360 -10.048 1.00 0.00 H new ATOM 380 N HIS A 23 4.918 -12.203 -7.153 1.00 0.00 N ATOM 381 CA HIS A 23 4.770 -13.461 -6.440 1.00 0.00 C ATOM 382 C HIS A 23 4.299 -13.085 -5.033 1.00 0.00 C ATOM 383 O HIS A 23 4.339 -11.904 -4.670 1.00 0.00 O ATOM 384 CB HIS A 23 6.126 -14.184 -6.476 1.00 0.00 C ATOM 385 CG HIS A 23 6.204 -15.525 -5.790 1.00 0.00 C ATOM 386 ND1 HIS A 23 6.129 -16.755 -6.444 1.00 0.00 N ATOM 387 CD2 HIS A 23 6.540 -15.740 -4.484 1.00 0.00 C ATOM 388 CE1 HIS A 23 6.373 -17.687 -5.504 1.00 0.00 C ATOM 389 NE2 HIS A 23 6.634 -17.103 -4.324 1.00 0.00 N ATOM 0 H HIS A 23 5.499 -11.539 -6.641 1.00 0.00 H new ATOM 0 HA HIS A 23 4.044 -14.148 -6.875 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.410 -14.320 -7.520 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.872 -13.529 -6.025 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.930 -16.915 -7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.700 -14.988 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.361 -18.753 -5.675 1.00 0.00 H new ATOM 397 N TRP A 24 3.858 -14.047 -4.224 1.00 0.00 N ATOM 398 CA TRP A 24 3.326 -13.760 -2.898 1.00 0.00 C ATOM 399 C TRP A 24 3.866 -14.728 -1.866 1.00 0.00 C ATOM 400 O TRP A 24 4.150 -15.887 -2.169 1.00 0.00 O ATOM 401 CB TRP A 24 1.802 -13.823 -2.913 1.00 0.00 C ATOM 402 CG TRP A 24 1.135 -12.679 -3.589 1.00 0.00 C ATOM 403 CD1 TRP A 24 0.812 -12.600 -4.895 1.00 0.00 C ATOM 404 CD2 TRP A 24 0.646 -11.453 -2.978 1.00 0.00 C ATOM 405 NE1 TRP A 24 0.123 -11.428 -5.121 1.00 0.00 N ATOM 406 CE2 TRP A 24 -0.005 -10.676 -3.976 1.00 0.00 C ATOM 407 CE3 TRP A 24 0.653 -10.948 -1.665 1.00 0.00 C ATOM 408 CZ2 TRP A 24 -0.653 -9.468 -3.681 1.00 0.00 C ATOM 409 CZ3 TRP A 24 0.026 -9.725 -1.358 1.00 0.00 C ATOM 410 CH2 TRP A 24 -0.638 -8.994 -2.359 1.00 0.00 C ATOM 0 H TRP A 24 3.860 -15.037 -4.468 1.00 0.00 H new ATOM 0 HA TRP A 24 3.644 -12.754 -2.625 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.496 -14.746 -3.406 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.445 -13.877 -1.885 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.055 -13.338 -5.645 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.248 -11.151 -6.030 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.146 -11.506 -0.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.156 -8.911 -4.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.055 -9.346 -0.347 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.136 -8.068 -2.111 1.00 0.00 H new ATOM 421 N ALA A 25 3.958 -14.230 -0.639 1.00 0.00 N ATOM 422 CA ALA A 25 4.443 -14.928 0.528 1.00 0.00 C ATOM 423 C ALA A 25 3.739 -14.346 1.761 1.00 0.00 C ATOM 424 O ALA A 25 3.034 -13.338 1.664 1.00 0.00 O ATOM 425 CB ALA A 25 5.960 -14.722 0.592 1.00 0.00 C ATOM 0 H ALA A 25 3.678 -13.272 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 25 4.234 -15.997 0.488 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.361 -15.238 1.465 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.420 -15.124 -0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.180 -13.657 0.667 1.00 0.00 H new ATOM 431 N ILE A 26 3.942 -14.949 2.929 1.00 0.00 N ATOM 432 CA ILE A 26 3.413 -14.459 4.192 1.00 0.00 C ATOM 433 C ILE A 26 4.573 -14.388 5.183 1.00 0.00 C ATOM 434 O ILE A 26 5.381 -15.314 5.243 1.00 0.00 O ATOM 435 CB ILE A 26 2.239 -15.366 4.619 1.00 0.00 C ATOM 436 CG1 ILE A 26 1.267 -14.580 5.512 1.00 0.00 C ATOM 437 CG2 ILE A 26 2.694 -16.685 5.263 1.00 0.00 C ATOM 438 CD1 ILE A 26 -0.044 -15.338 5.704 1.00 0.00 C ATOM 0 H ILE A 26 4.488 -15.805 3.023 1.00 0.00 H new ATOM 0 HA ILE A 26 2.998 -13.453 4.127 1.00 0.00 H new ATOM 0 HB ILE A 26 1.710 -15.667 3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.729 -14.396 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.065 -13.607 5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.820 -17.275 5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.301 -17.246 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.284 -16.470 6.154 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.711 -14.756 6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.516 -15.499 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.158 -16.301 6.174 1.00 0.00 H new ATOM 450 N TYR A 27 4.700 -13.275 5.902 1.00 0.00 N ATOM 451 CA TYR A 27 5.800 -13.001 6.814 1.00 0.00 C ATOM 452 C TYR A 27 5.686 -13.893 8.046 1.00 0.00 C ATOM 453 O TYR A 27 4.605 -14.000 8.627 1.00 0.00 O ATOM 454 CB TYR A 27 5.745 -11.513 7.181 1.00 0.00 C ATOM 455 CG TYR A 27 6.979 -10.954 7.862 1.00 0.00 C ATOM 456 CD1 TYR A 27 8.239 -11.036 7.237 1.00 0.00 C ATOM 457 CD2 TYR A 27 6.851 -10.267 9.082 1.00 0.00 C ATOM 458 CE1 TYR A 27 9.361 -10.422 7.819 1.00 0.00 C ATOM 459 CE2 TYR A 27 7.969 -9.661 9.679 1.00 0.00 C ATOM 460 CZ TYR A 27 9.229 -9.723 9.043 1.00 0.00 C ATOM 461 OH TYR A 27 10.293 -9.088 9.606 1.00 0.00 O ATOM 0 H TYR A 27 4.018 -12.518 5.862 1.00 0.00 H new ATOM 0 HA TYR A 27 6.761 -13.220 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.565 -10.940 6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.888 -11.351 7.835 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.343 -11.573 6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.886 -10.205 9.564 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.323 -10.483 7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.865 -9.148 10.624 1.00 0.00 H new ATOM 0 HH TYR A 27 10.014 -8.661 10.443 1.00 0.00 H new ATOM 471 N VAL A 28 6.793 -14.495 8.473 1.00 0.00 N ATOM 472 CA VAL A 28 6.870 -15.328 9.672 1.00 0.00 C ATOM 473 C VAL A 28 8.192 -15.060 10.411 1.00 0.00 C ATOM 474 O VAL A 28 9.127 -14.468 9.856 1.00 0.00 O ATOM 475 CB VAL A 28 6.669 -16.831 9.341 1.00 0.00 C ATOM 476 CG1 VAL A 28 5.364 -17.131 8.584 1.00 0.00 C ATOM 477 CG2 VAL A 28 7.831 -17.444 8.546 1.00 0.00 C ATOM 0 H VAL A 28 7.684 -14.416 7.983 1.00 0.00 H new ATOM 0 HA VAL A 28 6.052 -15.057 10.340 1.00 0.00 H new ATOM 0 HB VAL A 28 6.622 -17.294 10.327 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.295 -18.201 8.389 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.513 -16.816 9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.359 -16.588 7.639 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.623 -18.496 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.944 -16.914 7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.752 -17.358 9.123 1.00 0.00 H new ATOM 487 N GLY A 29 8.284 -15.521 11.663 1.00 0.00 N ATOM 488 CA GLY A 29 9.421 -15.231 12.525 1.00 0.00 C ATOM 489 C GLY A 29 9.562 -13.717 12.656 1.00 0.00 C ATOM 490 O GLY A 29 8.605 -13.041 13.037 1.00 0.00 O ATOM 0 H GLY A 29 7.571 -16.104 12.101 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.276 -15.683 13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 29 10.331 -15.661 12.107 1.00 0.00 H new ATOM 494 N ASP A 30 10.732 -13.189 12.301 1.00 0.00 N ATOM 495 CA ASP A 30 11.004 -11.751 12.238 1.00 0.00 C ATOM 496 C ASP A 30 11.925 -11.467 11.039 1.00 0.00 C ATOM 497 O ASP A 30 12.867 -10.677 11.124 1.00 0.00 O ATOM 498 CB ASP A 30 11.594 -11.286 13.581 1.00 0.00 C ATOM 499 CG ASP A 30 11.787 -9.760 13.651 1.00 0.00 C ATOM 500 OD1 ASP A 30 10.833 -9.005 13.356 1.00 0.00 O ATOM 501 OD2 ASP A 30 12.873 -9.301 14.076 1.00 0.00 O ATOM 0 H ASP A 30 11.536 -13.761 12.043 1.00 0.00 H new ATOM 0 HA ASP A 30 10.088 -11.182 12.081 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.936 -11.602 14.391 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.554 -11.777 13.740 1.00 0.00 H new ATOM 506 N GLY A 31 11.716 -12.188 9.927 1.00 0.00 N ATOM 507 CA GLY A 31 12.563 -12.077 8.736 1.00 0.00 C ATOM 508 C GLY A 31 12.364 -13.180 7.696 1.00 0.00 C ATOM 509 O GLY A 31 12.921 -13.085 6.601 1.00 0.00 O ATOM 0 H GLY A 31 10.956 -12.862 9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.374 -11.114 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.607 -12.078 9.050 1.00 0.00 H new ATOM 513 N TYR A 32 11.592 -14.224 8.002 1.00 0.00 N ATOM 514 CA TYR A 32 11.338 -15.327 7.085 1.00 0.00 C ATOM 515 C TYR A 32 9.961 -15.148 6.456 1.00 0.00 C ATOM 516 O TYR A 32 9.170 -14.295 6.869 1.00 0.00 O ATOM 517 CB TYR A 32 11.470 -16.667 7.828 1.00 0.00 C ATOM 518 CG TYR A 32 12.906 -17.083 8.084 1.00 0.00 C ATOM 519 CD1 TYR A 32 13.626 -16.527 9.160 1.00 0.00 C ATOM 520 CD2 TYR A 32 13.532 -18.016 7.234 1.00 0.00 C ATOM 521 CE1 TYR A 32 14.966 -16.892 9.381 1.00 0.00 C ATOM 522 CE2 TYR A 32 14.872 -18.385 7.447 1.00 0.00 C ATOM 523 CZ TYR A 32 15.597 -17.821 8.523 1.00 0.00 C ATOM 524 OH TYR A 32 16.898 -18.163 8.743 1.00 0.00 O ATOM 0 H TYR A 32 11.123 -14.325 8.902 1.00 0.00 H new ATOM 0 HA TYR A 32 12.075 -15.331 6.282 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.946 -16.597 8.781 1.00 0.00 H new ATOM 0 HB3 TYR A 32 10.974 -17.445 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.147 -15.817 9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.979 -18.450 6.414 1.00 0.00 H new ATOM 0 HE1 TYR A 32 15.513 -16.462 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 32 15.347 -19.098 6.790 1.00 0.00 H new ATOM 0 HH TYR A 32 17.184 -18.813 8.067 1.00 0.00 H new ATOM 534 N VAL A 33 9.658 -15.971 5.461 1.00 0.00 N ATOM 535 CA VAL A 33 8.342 -16.060 4.861 1.00 0.00 C ATOM 536 C VAL A 33 7.991 -17.517 4.575 1.00 0.00 C ATOM 537 O VAL A 33 8.876 -18.363 4.433 1.00 0.00 O ATOM 538 CB VAL A 33 8.256 -15.227 3.567 1.00 0.00 C ATOM 539 CG1 VAL A 33 8.262 -13.712 3.790 1.00 0.00 C ATOM 540 CG2 VAL A 33 9.339 -15.590 2.539 1.00 0.00 C ATOM 0 H VAL A 33 10.337 -16.607 5.043 1.00 0.00 H new ATOM 0 HA VAL A 33 7.622 -15.651 5.570 1.00 0.00 H new ATOM 0 HB VAL A 33 7.280 -15.498 3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.199 -13.202 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.408 -13.432 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.184 -13.422 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.222 -14.967 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 33 10.324 -15.421 2.973 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.240 -16.639 2.261 1.00 0.00 H new ATOM 550 N VAL A 34 6.696 -17.784 4.426 1.00 0.00 N ATOM 551 CA VAL A 34 6.143 -19.032 3.926 1.00 0.00 C ATOM 552 C VAL A 34 5.458 -18.688 2.604 1.00 0.00 C ATOM 553 O VAL A 34 4.829 -17.633 2.487 1.00 0.00 O ATOM 554 CB VAL A 34 5.206 -19.642 4.991 1.00 0.00 C ATOM 555 CG1 VAL A 34 4.329 -20.776 4.446 1.00 0.00 C ATOM 556 CG2 VAL A 34 6.047 -20.135 6.173 1.00 0.00 C ATOM 0 H VAL A 34 5.974 -17.103 4.662 1.00 0.00 H new ATOM 0 HA VAL A 34 6.894 -19.799 3.738 1.00 0.00 H new ATOM 0 HB VAL A 34 4.520 -18.859 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.694 -21.161 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.705 -20.396 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.964 -21.578 4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.393 -20.567 6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.752 -20.891 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.596 -19.297 6.604 1.00 0.00 H new ATOM 566 N HIS A 35 5.623 -19.534 1.587 1.00 0.00 N ATOM 567 CA HIS A 35 5.163 -19.261 0.226 1.00 0.00 C ATOM 568 C HIS A 35 5.083 -20.551 -0.588 1.00 0.00 C ATOM 569 O HIS A 35 5.501 -21.606 -0.111 1.00 0.00 O ATOM 570 CB HIS A 35 6.101 -18.247 -0.453 1.00 0.00 C ATOM 571 CG HIS A 35 7.467 -18.745 -0.871 1.00 0.00 C ATOM 572 ND1 HIS A 35 8.129 -18.329 -2.030 1.00 0.00 N ATOM 573 CD2 HIS A 35 8.277 -19.609 -0.187 1.00 0.00 C ATOM 574 CE1 HIS A 35 9.312 -18.965 -2.024 1.00 0.00 C ATOM 575 NE2 HIS A 35 9.428 -19.737 -0.932 1.00 0.00 N ATOM 0 H HIS A 35 6.085 -20.438 1.686 1.00 0.00 H new ATOM 0 HA HIS A 35 4.162 -18.833 0.276 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.597 -17.860 -1.338 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.241 -17.407 0.227 1.00 0.00 H new ATOM 0 HD1 HIS A 35 7.785 -17.677 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.057 -20.095 0.752 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.066 -18.869 -2.792 1.00 0.00 H new ATOM 583 N LEU A 36 4.548 -20.480 -1.809 1.00 0.00 N ATOM 584 CA LEU A 36 4.556 -21.606 -2.741 1.00 0.00 C ATOM 585 C LEU A 36 5.904 -21.634 -3.467 1.00 0.00 C ATOM 586 O LEU A 36 6.433 -20.583 -3.833 1.00 0.00 O ATOM 587 CB LEU A 36 3.408 -21.484 -3.767 1.00 0.00 C ATOM 588 CG LEU A 36 2.029 -22.023 -3.343 1.00 0.00 C ATOM 589 CD1 LEU A 36 2.048 -23.520 -3.014 1.00 0.00 C ATOM 590 CD2 LEU A 36 1.447 -21.266 -2.153 1.00 0.00 C ATOM 0 H LEU A 36 4.098 -19.642 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 36 4.410 -22.531 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.295 -20.431 -4.025 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.710 -22.004 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 36 1.392 -21.865 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.048 -23.841 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.368 -24.081 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.742 -23.703 -2.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.475 -21.686 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.119 -21.357 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.330 -20.214 -2.413 1.00 0.00 H new ATOM 602 N ALA A 37 6.424 -22.834 -3.736 1.00 0.00 N ATOM 603 CA ALA A 37 7.662 -23.085 -4.467 1.00 0.00 C ATOM 604 C ALA A 37 7.502 -24.337 -5.349 1.00 0.00 C ATOM 605 O ALA A 37 6.585 -25.130 -5.111 1.00 0.00 O ATOM 606 CB ALA A 37 8.798 -23.293 -3.458 1.00 0.00 C ATOM 0 H ALA A 37 5.969 -23.696 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 37 7.893 -22.235 -5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.729 -23.482 -3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.907 -22.399 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.566 -24.146 -2.820 1.00 0.00 H new ATOM 612 N PRO A 38 8.360 -24.544 -6.365 1.00 0.00 N ATOM 613 CA PRO A 38 8.410 -25.789 -7.131 1.00 0.00 C ATOM 614 C PRO A 38 8.644 -27.020 -6.240 1.00 0.00 C ATOM 615 O PRO A 38 9.280 -26.901 -5.189 1.00 0.00 O ATOM 616 CB PRO A 38 9.557 -25.614 -8.136 1.00 0.00 C ATOM 617 CG PRO A 38 9.686 -24.100 -8.282 1.00 0.00 C ATOM 618 CD PRO A 38 9.327 -23.591 -6.889 1.00 0.00 C ATOM 0 HA PRO A 38 7.456 -25.971 -7.626 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.481 -26.061 -7.770 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.329 -26.090 -9.090 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.695 -23.807 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.010 -23.708 -9.042 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.209 -23.536 -6.251 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.904 -22.587 -6.935 1.00 0.00 H new ATOM 626 N PRO A 39 8.220 -28.222 -6.675 1.00 0.00 N ATOM 627 CA PRO A 39 8.471 -29.463 -5.945 1.00 0.00 C ATOM 628 C PRO A 39 9.960 -29.855 -5.950 1.00 0.00 C ATOM 629 O PRO A 39 10.410 -30.567 -5.050 1.00 0.00 O ATOM 630 CB PRO A 39 7.622 -30.522 -6.658 1.00 0.00 C ATOM 631 CG PRO A 39 7.577 -30.014 -8.098 1.00 0.00 C ATOM 632 CD PRO A 39 7.508 -28.499 -7.917 1.00 0.00 C ATOM 0 HA PRO A 39 8.208 -29.358 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.074 -31.512 -6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.624 -30.598 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.460 -30.315 -8.661 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.710 -30.398 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.970 -27.982 -8.758 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.475 -28.157 -7.862 1.00 0.00 H new ATOM 846 N LYS A 57 2.630 -28.565 -10.856 1.00 0.00 N ATOM 847 CA LYS A 57 2.304 -28.589 -9.438 1.00 0.00 C ATOM 848 C LYS A 57 3.181 -27.596 -8.671 1.00 0.00 C ATOM 849 O LYS A 57 4.036 -26.934 -9.264 1.00 0.00 O ATOM 850 CB LYS A 57 2.448 -30.034 -8.937 1.00 0.00 C ATOM 851 CG LYS A 57 3.901 -30.522 -8.812 1.00 0.00 C ATOM 852 CD LYS A 57 3.995 -31.971 -8.317 1.00 0.00 C ATOM 853 CE LYS A 57 3.661 -32.102 -6.821 1.00 0.00 C ATOM 854 NZ LYS A 57 3.834 -33.496 -6.341 1.00 0.00 N ATOM 0 HA LYS A 57 1.275 -28.271 -9.268 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.965 -30.118 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.912 -30.696 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.393 -30.440 -9.781 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.441 -29.871 -8.125 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.313 -32.595 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.002 -32.349 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.303 -31.436 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.633 -31.782 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.633 -33.540 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.178 -34.122 -6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.812 -33.804 -6.514 1.00 0.00 H new ATOM 868 N ALA A 58 2.989 -27.515 -7.357 1.00 0.00 N ATOM 869 CA ALA A 58 3.784 -26.702 -6.444 1.00 0.00 C ATOM 870 C ALA A 58 3.695 -27.312 -5.054 1.00 0.00 C ATOM 871 O ALA A 58 2.947 -28.263 -4.833 1.00 0.00 O ATOM 872 CB ALA A 58 3.267 -25.254 -6.443 1.00 0.00 C ATOM 0 H ALA A 58 2.249 -28.033 -6.883 1.00 0.00 H new ATOM 0 HA ALA A 58 4.826 -26.683 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.867 -24.654 -5.758 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.342 -24.840 -7.449 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.226 -25.240 -6.121 1.00 0.00 H new ATOM 878 N ILE A 59 4.442 -26.762 -4.106 1.00 0.00 N ATOM 879 CA ILE A 59 4.425 -27.173 -2.713 1.00 0.00 C ATOM 880 C ILE A 59 4.580 -25.912 -1.857 1.00 0.00 C ATOM 881 O ILE A 59 5.088 -24.900 -2.342 1.00 0.00 O ATOM 882 CB ILE A 59 5.523 -28.229 -2.449 1.00 0.00 C ATOM 883 CG1 ILE A 59 6.951 -27.641 -2.445 1.00 0.00 C ATOM 884 CG2 ILE A 59 5.436 -29.430 -3.416 1.00 0.00 C ATOM 885 CD1 ILE A 59 7.974 -28.663 -1.948 1.00 0.00 C ATOM 0 H ILE A 59 5.092 -25.998 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 59 3.484 -27.657 -2.451 1.00 0.00 H new ATOM 0 HB ILE A 59 5.322 -28.592 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.216 -27.319 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.980 -26.756 -1.809 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.230 -30.141 -3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.468 -29.918 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.548 -29.080 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.968 -28.217 -1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.722 -28.965 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.962 -29.537 -2.600 1.00 0.00 H new ATOM 897 N VAL A 60 4.157 -25.949 -0.598 1.00 0.00 N ATOM 898 CA VAL A 60 4.351 -24.839 0.325 1.00 0.00 C ATOM 899 C VAL A 60 5.742 -25.023 0.943 1.00 0.00 C ATOM 900 O VAL A 60 6.138 -26.143 1.277 1.00 0.00 O ATOM 901 CB VAL A 60 3.219 -24.841 1.367 1.00 0.00 C ATOM 902 CG1 VAL A 60 3.348 -23.685 2.371 1.00 0.00 C ATOM 903 CG2 VAL A 60 1.822 -24.754 0.727 1.00 0.00 C ATOM 0 H VAL A 60 3.671 -26.748 -0.190 1.00 0.00 H new ATOM 0 HA VAL A 60 4.309 -23.867 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 60 3.323 -25.795 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.526 -23.730 3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.296 -23.769 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.314 -22.735 1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.063 -24.759 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.743 -23.832 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.670 -25.609 0.068 1.00 0.00 H new ATOM 913 N LYS A 61 6.487 -23.933 1.114 1.00 0.00 N ATOM 914 CA LYS A 61 7.886 -23.917 1.538 1.00 0.00 C ATOM 915 C LYS A 61 8.106 -22.717 2.462 1.00 0.00 C ATOM 916 O LYS A 61 7.251 -21.832 2.535 1.00 0.00 O ATOM 917 CB LYS A 61 8.765 -23.812 0.275 1.00 0.00 C ATOM 918 CG LYS A 61 10.152 -24.458 0.430 1.00 0.00 C ATOM 919 CD LYS A 61 11.113 -23.944 -0.650 1.00 0.00 C ATOM 920 CE LYS A 61 12.394 -24.780 -0.688 1.00 0.00 C ATOM 921 NZ LYS A 61 13.470 -24.098 -1.442 1.00 0.00 N ATOM 0 H LYS A 61 6.116 -22.996 0.954 1.00 0.00 H new ATOM 0 HA LYS A 61 8.148 -24.824 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.245 -24.284 -0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.891 -22.760 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.554 -24.235 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.064 -25.542 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.623 -23.978 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.361 -22.901 -0.454 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.731 -24.976 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.185 -25.746 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 14.280 -24.741 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.117 -23.827 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.769 -23.246 -0.926 1.00 0.00 H new ATOM 935 N LYS A 62 9.263 -22.645 3.123 1.00 0.00 N ATOM 936 CA LYS A 62 9.680 -21.521 3.961 1.00 0.00 C ATOM 937 C LYS A 62 11.052 -21.073 3.470 1.00 0.00 C ATOM 938 O LYS A 62 11.867 -21.919 3.097 1.00 0.00 O ATOM 939 CB LYS A 62 9.721 -21.974 5.432 1.00 0.00 C ATOM 940 CG LYS A 62 10.061 -20.857 6.434 1.00 0.00 C ATOM 941 CD LYS A 62 10.043 -21.394 7.874 1.00 0.00 C ATOM 942 CE LYS A 62 10.480 -20.304 8.863 1.00 0.00 C ATOM 943 NZ LYS A 62 10.474 -20.787 10.267 1.00 0.00 N ATOM 0 H LYS A 62 9.957 -23.392 3.088 1.00 0.00 H new ATOM 0 HA LYS A 62 8.983 -20.686 3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.752 -22.399 5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.457 -22.772 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.044 -20.445 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.343 -20.043 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.041 -21.741 8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.708 -22.254 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.481 -19.960 8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.814 -19.446 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.775 -20.019 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.514 -21.092 10.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.129 -21.590 10.361 1.00 0.00 H new ATOM 957 N GLU A 63 11.316 -19.769 3.471 1.00 0.00 N ATOM 958 CA GLU A 63 12.569 -19.174 3.017 1.00 0.00 C ATOM 959 C GLU A 63 12.793 -17.874 3.786 1.00 0.00 C ATOM 960 O GLU A 63 11.849 -17.296 4.327 1.00 0.00 O ATOM 961 CB GLU A 63 12.498 -18.850 1.511 1.00 0.00 C ATOM 962 CG GLU A 63 12.656 -20.045 0.558 1.00 0.00 C ATOM 963 CD GLU A 63 14.012 -20.778 0.650 1.00 0.00 C ATOM 964 OE1 GLU A 63 14.956 -20.307 1.325 1.00 0.00 O ATOM 965 OE2 GLU A 63 14.143 -21.842 0.002 1.00 0.00 O ATOM 0 H GLU A 63 10.643 -19.076 3.798 1.00 0.00 H new ATOM 0 HA GLU A 63 13.384 -19.877 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.540 -18.372 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.274 -18.120 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.859 -20.760 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.518 -19.695 -0.465 1.00 0.00 H new ATOM 972 N LEU A 64 14.037 -17.398 3.842 1.00 0.00 N ATOM 973 CA LEU A 64 14.337 -16.058 4.338 1.00 0.00 C ATOM 974 C LEU A 64 13.763 -15.059 3.330 1.00 0.00 C ATOM 975 O LEU A 64 13.954 -15.241 2.125 1.00 0.00 O ATOM 976 CB LEU A 64 15.862 -15.894 4.475 1.00 0.00 C ATOM 977 CG LEU A 64 16.287 -14.566 5.133 1.00 0.00 C ATOM 978 CD1 LEU A 64 15.991 -14.555 6.637 1.00 0.00 C ATOM 979 CD2 LEU A 64 17.788 -14.343 4.923 1.00 0.00 C ATOM 0 H LEU A 64 14.858 -17.927 3.547 1.00 0.00 H new ATOM 0 HA LEU A 64 13.895 -15.887 5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 64 16.256 -16.723 5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.316 -15.961 3.486 1.00 0.00 H new ATOM 0 HG LEU A 64 15.712 -13.768 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.305 -13.602 7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.921 -14.689 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.536 -15.366 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 64 18.085 -13.404 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.345 -15.164 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 18.004 -14.302 3.855 1.00 0.00 H new ATOM 991 N LEU A 65 13.091 -13.999 3.794 1.00 0.00 N ATOM 992 CA LEU A 65 12.374 -13.070 2.914 1.00 0.00 C ATOM 993 C LEU A 65 13.279 -12.521 1.818 1.00 0.00 C ATOM 994 O LEU A 65 12.874 -12.459 0.657 1.00 0.00 O ATOM 995 CB LEU A 65 11.756 -11.931 3.743 1.00 0.00 C ATOM 996 CG LEU A 65 10.928 -10.943 2.889 1.00 0.00 C ATOM 997 CD1 LEU A 65 9.809 -10.323 3.739 1.00 0.00 C ATOM 998 CD2 LEU A 65 11.763 -9.770 2.358 1.00 0.00 C ATOM 0 H LEU A 65 13.029 -13.762 4.784 1.00 0.00 H new ATOM 0 HA LEU A 65 11.573 -13.620 2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.118 -12.357 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 65 12.551 -11.386 4.251 1.00 0.00 H new ATOM 0 HG LEU A 65 10.542 -11.525 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 65 9.231 -9.629 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.154 -11.112 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.246 -9.788 4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 65 11.129 -9.110 1.766 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.183 -9.214 3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 65 12.571 -10.152 1.734 1.00 0.00 H new ATOM 1010 N TYR A 66 14.502 -12.131 2.177 1.00 0.00 N ATOM 1011 CA TYR A 66 15.409 -11.450 1.266 1.00 0.00 C ATOM 1012 C TYR A 66 15.860 -12.352 0.111 1.00 0.00 C ATOM 1013 O TYR A 66 16.230 -11.835 -0.943 1.00 0.00 O ATOM 1014 CB TYR A 66 16.597 -10.889 2.059 1.00 0.00 C ATOM 1015 CG TYR A 66 16.169 -10.015 3.229 1.00 0.00 C ATOM 1016 CD1 TYR A 66 15.496 -8.800 2.989 1.00 0.00 C ATOM 1017 CD2 TYR A 66 16.382 -10.445 4.554 1.00 0.00 C ATOM 1018 CE1 TYR A 66 15.032 -8.021 4.064 1.00 0.00 C ATOM 1019 CE2 TYR A 66 15.925 -9.670 5.634 1.00 0.00 C ATOM 1020 CZ TYR A 66 15.243 -8.453 5.394 1.00 0.00 C ATOM 1021 OH TYR A 66 14.789 -7.690 6.428 1.00 0.00 O ATOM 0 H TYR A 66 14.888 -12.281 3.109 1.00 0.00 H new ATOM 0 HA TYR A 66 14.876 -10.622 0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.201 -11.716 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 66 17.231 -10.307 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.336 -8.466 1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 66 16.899 -11.375 4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 66 14.514 -7.092 3.874 1.00 0.00 H new ATOM 0 HE2 TYR A 66 16.094 -10.003 6.647 1.00 0.00 H new ATOM 0 HH TYR A 66 15.012 -8.125 7.278 1.00 0.00 H new ATOM 1031 N ASP A 67 15.795 -13.681 0.267 1.00 0.00 N ATOM 1032 CA ASP A 67 16.036 -14.601 -0.843 1.00 0.00 C ATOM 1033 C ASP A 67 14.848 -14.578 -1.807 1.00 0.00 C ATOM 1034 O ASP A 67 15.039 -14.472 -3.018 1.00 0.00 O ATOM 1035 CB ASP A 67 16.263 -16.029 -0.338 1.00 0.00 C ATOM 1036 CG ASP A 67 16.492 -16.981 -1.524 1.00 0.00 C ATOM 1037 OD1 ASP A 67 17.615 -16.996 -2.078 1.00 0.00 O ATOM 1038 OD2 ASP A 67 15.562 -17.726 -1.898 1.00 0.00 O ATOM 0 H ASP A 67 15.577 -14.139 1.152 1.00 0.00 H new ATOM 0 HA ASP A 67 16.936 -14.274 -1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 67 17.124 -16.054 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.401 -16.359 0.242 1.00 0.00 H new ATOM 1043 N VAL A 68 13.621 -14.609 -1.274 1.00 0.00 N ATOM 1044 CA VAL A 68 12.396 -14.597 -2.072 1.00 0.00 C ATOM 1045 C VAL A 68 12.291 -13.279 -2.851 1.00 0.00 C ATOM 1046 O VAL A 68 11.964 -13.292 -4.040 1.00 0.00 O ATOM 1047 CB VAL A 68 11.165 -14.861 -1.169 1.00 0.00 C ATOM 1048 CG1 VAL A 68 9.900 -15.086 -2.010 1.00 0.00 C ATOM 1049 CG2 VAL A 68 11.371 -16.129 -0.325 1.00 0.00 C ATOM 0 H VAL A 68 13.452 -14.643 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 68 12.426 -15.402 -2.807 1.00 0.00 H new ATOM 0 HB VAL A 68 11.050 -13.984 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.052 -15.269 -1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.704 -14.202 -2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.045 -15.948 -2.662 1.00 0.00 H new ATOM 0 HG21 VAL A 68 10.495 -16.295 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 68 11.514 -16.985 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL A 68 12.251 -16.007 0.307 1.00 0.00 H new ATOM 1059 N ALA A 69 12.630 -12.154 -2.212 1.00 0.00 N ATOM 1060 CA ALA A 69 12.639 -10.825 -2.818 1.00 0.00 C ATOM 1061 C ALA A 69 13.779 -10.619 -3.828 1.00 0.00 C ATOM 1062 O ALA A 69 13.852 -9.551 -4.440 1.00 0.00 O ATOM 1063 CB ALA A 69 12.718 -9.774 -1.705 1.00 0.00 C ATOM 0 H ALA A 69 12.913 -12.146 -1.232 1.00 0.00 H new ATOM 0 HA ALA A 69 11.715 -10.719 -3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.725 -8.777 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.854 -9.874 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 69 13.631 -9.923 -1.128 1.00 0.00 H new ATOM 1069 N GLY A 70 14.671 -11.603 -3.997 1.00 0.00 N ATOM 1070 CA GLY A 70 15.915 -11.480 -4.747 1.00 0.00 C ATOM 1071 C GLY A 70 15.750 -11.001 -6.192 1.00 0.00 C ATOM 1072 O GLY A 70 16.685 -10.408 -6.733 1.00 0.00 O ATOM 0 H GLY A 70 14.537 -12.533 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 70 16.572 -10.786 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 70 16.415 -12.449 -4.755 1.00 0.00 H new ATOM 1076 N SER A 71 14.588 -11.231 -6.818 1.00 0.00 N ATOM 1077 CA SER A 71 14.325 -10.797 -8.184 1.00 0.00 C ATOM 1078 C SER A 71 14.457 -9.282 -8.349 1.00 0.00 C ATOM 1079 O SER A 71 15.061 -8.826 -9.322 1.00 0.00 O ATOM 1080 CB SER A 71 12.923 -11.239 -8.604 1.00 0.00 C ATOM 1081 OG SER A 71 12.733 -12.623 -8.371 1.00 0.00 O ATOM 0 H SER A 71 13.807 -11.724 -6.385 1.00 0.00 H new ATOM 0 HA SER A 71 15.075 -11.262 -8.824 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.177 -10.668 -8.050 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.771 -11.021 -9.661 1.00 0.00 H new ATOM 0 HG SER A 71 12.528 -13.072 -9.218 1.00 0.00 H new ATOM 1087 N ASP A 72 13.904 -8.507 -7.411 1.00 0.00 N ATOM 1088 CA ASP A 72 13.928 -7.052 -7.451 1.00 0.00 C ATOM 1089 C ASP A 72 13.653 -6.431 -6.095 1.00 0.00 C ATOM 1090 O ASP A 72 14.546 -5.821 -5.507 1.00 0.00 O ATOM 1091 CB ASP A 72 12.940 -6.524 -8.505 1.00 0.00 C ATOM 1092 CG ASP A 72 13.014 -4.994 -8.673 1.00 0.00 C ATOM 1093 OD1 ASP A 72 14.078 -4.385 -8.404 1.00 0.00 O ATOM 1094 OD2 ASP A 72 12.004 -4.395 -9.103 1.00 0.00 O ATOM 0 H ASP A 72 13.422 -8.883 -6.594 1.00 0.00 H new ATOM 0 HA ASP A 72 14.938 -6.755 -7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 72 13.147 -7.001 -9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.926 -6.806 -8.221 1.00 0.00 H new ATOM 1099 N LYS A 73 12.429 -6.590 -5.602 1.00 0.00 N ATOM 1100 CA LYS A 73 11.891 -5.852 -4.465 1.00 0.00 C ATOM 1101 C LYS A 73 10.740 -6.653 -3.861 1.00 0.00 C ATOM 1102 O LYS A 73 10.327 -7.677 -4.408 1.00 0.00 O ATOM 1103 CB LYS A 73 11.351 -4.497 -4.983 1.00 0.00 C ATOM 1104 CG LYS A 73 12.355 -3.430 -5.440 1.00 0.00 C ATOM 1105 CD LYS A 73 13.455 -3.026 -4.446 1.00 0.00 C ATOM 1106 CE LYS A 73 14.611 -2.309 -5.170 1.00 0.00 C ATOM 1107 NZ LYS A 73 15.315 -3.191 -6.138 1.00 0.00 N ATOM 0 H LYS A 73 11.764 -7.256 -5.995 1.00 0.00 H new ATOM 0 HA LYS A 73 12.661 -5.689 -3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.685 -4.705 -5.821 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.741 -4.060 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.837 -3.788 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.796 -2.533 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.037 -2.371 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.833 -3.912 -3.936 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.220 -1.438 -5.696 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.325 -1.943 -4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.311 -2.900 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.266 -4.176 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.862 -3.114 -7.071 1.00 0.00 H new ATOM 1121 N TYR A 74 10.170 -6.152 -2.771 1.00 0.00 N ATOM 1122 CA TYR A 74 8.959 -6.668 -2.148 1.00 0.00 C ATOM 1123 C TYR A 74 8.255 -5.519 -1.431 1.00 0.00 C ATOM 1124 O TYR A 74 8.839 -4.441 -1.283 1.00 0.00 O ATOM 1125 CB TYR A 74 9.334 -7.768 -1.151 1.00 0.00 C ATOM 1126 CG TYR A 74 10.021 -7.250 0.109 1.00 0.00 C ATOM 1127 CD1 TYR A 74 11.390 -6.911 0.094 1.00 0.00 C ATOM 1128 CD2 TYR A 74 9.273 -7.047 1.288 1.00 0.00 C ATOM 1129 CE1 TYR A 74 12.009 -6.390 1.243 1.00 0.00 C ATOM 1130 CE2 TYR A 74 9.884 -6.528 2.443 1.00 0.00 C ATOM 1131 CZ TYR A 74 11.260 -6.200 2.428 1.00 0.00 C ATOM 1132 OH TYR A 74 11.874 -5.702 3.538 1.00 0.00 O ATOM 0 H TYR A 74 10.554 -5.345 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 74 8.292 -7.090 -2.900 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.432 -8.309 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.992 -8.483 -1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.967 -7.053 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.221 -7.293 1.303 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.058 -6.134 1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.303 -6.380 3.341 1.00 0.00 H new ATOM 0 HH TYR A 74 11.223 -5.630 4.267 1.00 0.00 H new ATOM 1142 N GLN A 75 7.019 -5.739 -0.977 1.00 0.00 N ATOM 1143 CA GLN A 75 6.306 -4.827 -0.091 1.00 0.00 C ATOM 1144 C GLN A 75 5.208 -5.574 0.667 1.00 0.00 C ATOM 1145 O GLN A 75 4.691 -6.584 0.188 1.00 0.00 O ATOM 1146 CB GLN A 75 5.783 -3.592 -0.857 1.00 0.00 C ATOM 1147 CG GLN A 75 5.026 -3.860 -2.179 1.00 0.00 C ATOM 1148 CD GLN A 75 5.195 -2.759 -3.236 1.00 0.00 C ATOM 1149 OE1 GLN A 75 5.817 -1.720 -3.016 1.00 0.00 O ATOM 1150 NE2 GLN A 75 4.715 -2.986 -4.444 1.00 0.00 N ATOM 0 H GLN A 75 6.480 -6.570 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 75 7.002 -4.441 0.654 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.121 -3.036 -0.193 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.632 -2.944 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.372 -4.805 -2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.965 -3.977 -1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.198 -3.845 -4.634 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.861 -2.303 -5.187 1.00 0.00 H new ATOM 1159 N VAL A 76 4.856 -5.088 1.858 1.00 0.00 N ATOM 1160 CA VAL A 76 3.680 -5.559 2.576 1.00 0.00 C ATOM 1161 C VAL A 76 2.459 -5.041 1.809 1.00 0.00 C ATOM 1162 O VAL A 76 2.423 -3.871 1.413 1.00 0.00 O ATOM 1163 CB VAL A 76 3.755 -5.138 4.066 1.00 0.00 C ATOM 1164 CG1 VAL A 76 3.936 -3.630 4.305 1.00 0.00 C ATOM 1165 CG2 VAL A 76 2.549 -5.628 4.877 1.00 0.00 C ATOM 0 H VAL A 76 5.378 -4.360 2.347 1.00 0.00 H new ATOM 0 HA VAL A 76 3.611 -6.646 2.614 1.00 0.00 H new ATOM 0 HB VAL A 76 4.662 -5.631 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.977 -3.434 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.863 -3.296 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.096 -3.089 3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.652 -5.306 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.634 -5.211 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.503 -6.716 4.838 1.00 0.00 H new ATOM 1175 N ASN A 77 1.477 -5.908 1.564 1.00 0.00 N ATOM 1176 CA ASN A 77 0.250 -5.553 0.850 1.00 0.00 C ATOM 1177 C ASN A 77 -0.896 -6.420 1.362 1.00 0.00 C ATOM 1178 O ASN A 77 -1.350 -7.353 0.697 1.00 0.00 O ATOM 1179 CB ASN A 77 0.412 -5.648 -0.677 1.00 0.00 C ATOM 1180 CG ASN A 77 -0.865 -5.219 -1.409 1.00 0.00 C ATOM 1181 OD1 ASN A 77 -1.794 -4.656 -0.835 1.00 0.00 O ATOM 1182 ND2 ASN A 77 -0.937 -5.455 -2.706 1.00 0.00 N ATOM 0 H ASN A 77 1.511 -6.884 1.858 1.00 0.00 H new ATOM 0 HA ASN A 77 0.019 -4.507 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.243 -5.018 -0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.664 -6.672 -0.954 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.764 -5.170 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.166 -5.922 -3.183 1.00 0.00 H new ATOM 1189 N ASN A 78 -1.320 -6.150 2.597 1.00 0.00 N ATOM 1190 CA ASN A 78 -2.489 -6.797 3.178 1.00 0.00 C ATOM 1191 C ASN A 78 -3.725 -6.355 2.401 1.00 0.00 C ATOM 1192 O ASN A 78 -4.073 -5.173 2.422 1.00 0.00 O ATOM 1193 CB ASN A 78 -2.650 -6.415 4.659 1.00 0.00 C ATOM 1194 CG ASN A 78 -1.587 -7.032 5.553 1.00 0.00 C ATOM 1195 OD1 ASN A 78 -1.171 -8.170 5.355 1.00 0.00 O ATOM 1196 ND2 ASN A 78 -1.136 -6.308 6.558 1.00 0.00 N ATOM 0 H ASN A 78 -0.864 -5.480 3.217 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.365 -7.878 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.611 -5.330 4.754 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.635 -6.730 5.004 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.430 -6.691 7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.493 -5.364 6.707 1.00 0.00 H new ATOM 1203 N LYS A 79 -4.439 -7.300 1.779 1.00 0.00 N ATOM 1204 CA LYS A 79 -5.758 -7.014 1.194 1.00 0.00 C ATOM 1205 C LYS A 79 -6.753 -6.591 2.279 1.00 0.00 C ATOM 1206 O LYS A 79 -7.698 -5.853 2.003 1.00 0.00 O ATOM 1207 CB LYS A 79 -6.323 -8.258 0.482 1.00 0.00 C ATOM 1208 CG LYS A 79 -5.942 -8.414 -0.995 1.00 0.00 C ATOM 1209 CD LYS A 79 -4.440 -8.603 -1.261 1.00 0.00 C ATOM 1210 CE LYS A 79 -4.221 -9.409 -2.549 1.00 0.00 C ATOM 1211 NZ LYS A 79 -4.678 -8.704 -3.775 1.00 0.00 N ATOM 0 H LYS A 79 -4.129 -8.265 1.667 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.625 -6.205 0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.987 -9.145 1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -7.410 -8.233 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.479 -9.269 -1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.284 -7.533 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.954 -7.631 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.977 -9.118 -0.419 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.160 -9.641 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.749 -10.359 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.660 -9.361 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -5.648 -8.356 -3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.047 -7.901 -3.969 1.00 0.00 H new ATOM 1225 N HIS A 80 -6.551 -7.069 3.509 1.00 0.00 N ATOM 1226 CA HIS A 80 -7.511 -6.983 4.598 1.00 0.00 C ATOM 1227 C HIS A 80 -7.229 -5.816 5.510 1.00 0.00 C ATOM 1228 O HIS A 80 -7.758 -5.794 6.613 1.00 0.00 O ATOM 1229 CB HIS A 80 -7.509 -8.271 5.438 1.00 0.00 C ATOM 1230 CG HIS A 80 -7.075 -9.507 4.691 1.00 0.00 C ATOM 1231 ND1 HIS A 80 -5.837 -10.135 4.864 1.00 0.00 N ATOM 1232 CD2 HIS A 80 -7.678 -10.002 3.570 1.00 0.00 C ATOM 1233 CE1 HIS A 80 -5.734 -11.000 3.841 1.00 0.00 C ATOM 1234 NE2 HIS A 80 -6.813 -10.934 3.047 1.00 0.00 N ATOM 0 H HIS A 80 -5.687 -7.540 3.777 1.00 0.00 H new ATOM 0 HA HIS A 80 -8.488 -6.842 4.135 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.850 -8.130 6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.512 -8.434 5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.642 -9.718 3.174 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.895 -11.660 3.680 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -6.966 -11.482 2.200 1.00 0.00 H new ATOM 1242 N ASP A 81 -6.448 -4.821 5.116 1.00 0.00 N ATOM 1243 CA ASP A 81 -6.226 -3.640 5.962 1.00 0.00 C ATOM 1244 C ASP A 81 -7.470 -2.733 6.072 1.00 0.00 C ATOM 1245 O ASP A 81 -7.388 -1.545 6.381 1.00 0.00 O ATOM 1246 CB ASP A 81 -5.022 -2.878 5.412 1.00 0.00 C ATOM 1247 CG ASP A 81 -4.522 -1.767 6.354 1.00 0.00 C ATOM 1248 OD1 ASP A 81 -4.299 -2.035 7.556 1.00 0.00 O ATOM 1249 OD2 ASP A 81 -4.277 -0.633 5.880 1.00 0.00 O ATOM 0 H ASP A 81 -5.956 -4.800 4.222 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.027 -3.973 6.981 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.210 -3.581 5.227 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.288 -2.438 4.451 1.00 0.00 H new ATOM 1254 N ASP A 82 -8.640 -3.308 5.795 1.00 0.00 N ATOM 1255 CA ASP A 82 -9.967 -2.711 5.987 1.00 0.00 C ATOM 1256 C ASP A 82 -10.953 -3.717 6.612 1.00 0.00 C ATOM 1257 O ASP A 82 -12.127 -3.410 6.808 1.00 0.00 O ATOM 1258 CB ASP A 82 -10.476 -2.202 4.629 1.00 0.00 C ATOM 1259 CG ASP A 82 -11.795 -1.416 4.738 1.00 0.00 C ATOM 1260 OD1 ASP A 82 -11.843 -0.395 5.462 1.00 0.00 O ATOM 1261 OD2 ASP A 82 -12.773 -1.771 4.042 1.00 0.00 O ATOM 0 H ASP A 82 -8.694 -4.251 5.411 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.890 -1.877 6.684 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.716 -1.564 4.178 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.619 -3.050 3.960 1.00 0.00 H new ATOM 1266 N LYS A 83 -10.481 -4.932 6.927 1.00 0.00 N ATOM 1267 CA LYS A 83 -11.292 -6.092 7.321 1.00 0.00 C ATOM 1268 C LYS A 83 -10.660 -6.861 8.488 1.00 0.00 C ATOM 1269 O LYS A 83 -11.401 -7.394 9.313 1.00 0.00 O ATOM 1270 CB LYS A 83 -11.446 -7.048 6.124 1.00 0.00 C ATOM 1271 CG LYS A 83 -12.088 -6.466 4.852 1.00 0.00 C ATOM 1272 CD LYS A 83 -13.551 -6.023 5.019 1.00 0.00 C ATOM 1273 CE LYS A 83 -14.478 -7.206 5.340 1.00 0.00 C ATOM 1274 NZ LYS A 83 -15.899 -6.792 5.444 1.00 0.00 N ATOM 0 H LYS A 83 -9.483 -5.141 6.913 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.264 -5.718 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.458 -7.428 5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.042 -7.902 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.498 -5.611 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.036 -7.213 4.060 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.617 -5.284 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.889 -5.536 4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -14.378 -7.965 4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.166 -7.666 6.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.487 -7.622 5.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.001 -6.087 6.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -16.206 -6.377 4.542 1.00 0.00 H new ATOM 1288 N TYR A 84 -9.323 -6.843 8.575 1.00 0.00 N ATOM 1289 CA TYR A 84 -8.468 -7.300 9.665 1.00 0.00 C ATOM 1290 C TYR A 84 -8.451 -8.801 9.914 1.00 0.00 C ATOM 1291 O TYR A 84 -9.428 -9.506 9.680 1.00 0.00 O ATOM 1292 CB TYR A 84 -8.790 -6.503 10.928 1.00 0.00 C ATOM 1293 CG TYR A 84 -8.789 -5.017 10.638 1.00 0.00 C ATOM 1294 CD1 TYR A 84 -7.610 -4.424 10.152 1.00 0.00 C ATOM 1295 CD2 TYR A 84 -9.993 -4.286 10.659 1.00 0.00 C ATOM 1296 CE1 TYR A 84 -7.628 -3.096 9.692 1.00 0.00 C ATOM 1297 CE2 TYR A 84 -10.019 -2.959 10.200 1.00 0.00 C ATOM 1298 CZ TYR A 84 -8.833 -2.352 9.724 1.00 0.00 C ATOM 1299 OH TYR A 84 -8.844 -1.062 9.285 1.00 0.00 O ATOM 0 H TYR A 84 -8.765 -6.471 7.807 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.444 -7.103 9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.764 -6.802 11.314 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.057 -6.728 11.703 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -6.690 -4.989 10.132 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.897 -4.747 11.029 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.723 -2.643 9.314 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.944 -2.402 10.210 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.445 -1.017 8.391 1.00 0.00 H new ATOM 1309 N SER A 85 -7.300 -9.272 10.399 1.00 0.00 N ATOM 1310 CA SER A 85 -7.017 -10.675 10.676 1.00 0.00 C ATOM 1311 C SER A 85 -8.131 -11.312 11.538 1.00 0.00 C ATOM 1312 O SER A 85 -8.279 -10.927 12.702 1.00 0.00 O ATOM 1313 CB SER A 85 -5.652 -10.772 11.375 1.00 0.00 C ATOM 1314 OG SER A 85 -4.688 -9.936 10.739 1.00 0.00 O ATOM 0 H SER A 85 -6.513 -8.661 10.616 1.00 0.00 H new ATOM 0 HA SER A 85 -6.987 -11.230 9.739 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.754 -10.483 12.421 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.306 -11.806 11.362 1.00 0.00 H new ATOM 0 HG SER A 85 -3.875 -10.453 10.559 1.00 0.00 H new ATOM 1320 N PRO A 86 -8.916 -12.277 11.015 1.00 0.00 N ATOM 1321 CA PRO A 86 -9.900 -13.014 11.803 1.00 0.00 C ATOM 1322 C PRO A 86 -9.239 -14.062 12.701 1.00 0.00 C ATOM 1323 O PRO A 86 -9.834 -14.531 13.672 1.00 0.00 O ATOM 1324 CB PRO A 86 -10.843 -13.652 10.781 1.00 0.00 C ATOM 1325 CG PRO A 86 -9.963 -13.860 9.551 1.00 0.00 C ATOM 1326 CD PRO A 86 -8.936 -12.731 9.633 1.00 0.00 C ATOM 0 HA PRO A 86 -10.438 -12.357 12.486 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.249 -14.595 11.146 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.691 -13.004 10.561 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.482 -14.838 9.565 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.544 -13.804 8.631 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.950 -13.083 9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.205 -11.915 8.962 1.00 0.00 H new ATOM 1334 N LEU A 87 -8.002 -14.417 12.368 1.00 0.00 N ATOM 1335 CA LEU A 87 -7.163 -15.357 13.084 1.00 0.00 C ATOM 1336 C LEU A 87 -6.216 -14.540 13.967 1.00 0.00 C ATOM 1337 O LEU A 87 -5.675 -13.542 13.475 1.00 0.00 O ATOM 1338 CB LEU A 87 -6.345 -16.149 12.050 1.00 0.00 C ATOM 1339 CG LEU A 87 -7.187 -16.910 11.006 1.00 0.00 C ATOM 1340 CD1 LEU A 87 -6.253 -17.588 10.000 1.00 0.00 C ATOM 1341 CD2 LEU A 87 -8.092 -17.967 11.652 1.00 0.00 C ATOM 0 H LEU A 87 -7.538 -14.032 11.545 1.00 0.00 H new ATOM 0 HA LEU A 87 -7.752 -16.044 13.691 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.681 -15.460 11.528 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.713 -16.864 12.577 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.830 -16.186 10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.845 -18.127 9.260 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.647 -16.833 9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.601 -18.288 10.523 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.666 -18.477 10.878 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.479 -18.693 12.187 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.775 -17.483 12.351 1.00 0.00 H new ATOM 1353 N PRO A 88 -5.990 -14.922 15.237 1.00 0.00 N ATOM 1354 CA PRO A 88 -4.921 -14.343 16.041 1.00 0.00 C ATOM 1355 C PRO A 88 -3.593 -14.487 15.295 1.00 0.00 C ATOM 1356 O PRO A 88 -3.377 -15.497 14.618 1.00 0.00 O ATOM 1357 CB PRO A 88 -4.910 -15.124 17.360 1.00 0.00 C ATOM 1358 CG PRO A 88 -6.312 -15.725 17.445 1.00 0.00 C ATOM 1359 CD PRO A 88 -6.693 -15.952 15.983 1.00 0.00 C ATOM 0 HA PRO A 88 -5.071 -13.280 16.231 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.143 -15.899 17.359 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.703 -14.472 18.208 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.315 -16.657 18.010 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.009 -15.049 17.941 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.399 -16.948 15.650 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.771 -15.874 15.841 1.00 0.00 H new ATOM 1367 N CYS A 89 -2.689 -13.514 15.437 1.00 0.00 N ATOM 1368 CA CYS A 89 -1.448 -13.478 14.666 1.00 0.00 C ATOM 1369 C CYS A 89 -0.659 -14.781 14.815 1.00 0.00 C ATOM 1370 O CYS A 89 -0.195 -15.331 13.818 1.00 0.00 O ATOM 1371 CB CYS A 89 -0.605 -12.266 15.082 1.00 0.00 C ATOM 1372 SG CYS A 89 -1.583 -10.740 14.931 1.00 0.00 S ATOM 0 H CYS A 89 -2.797 -12.735 16.086 1.00 0.00 H new ATOM 0 HA CYS A 89 -1.702 -13.377 13.611 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.263 -12.387 16.110 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.285 -12.200 14.456 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.703 -11.001 14.325 1.00 0.00 H new ATOM 1378 N SER A 90 -0.579 -15.319 16.035 1.00 0.00 N ATOM 1379 CA SER A 90 0.098 -16.577 16.321 1.00 0.00 C ATOM 1380 C SER A 90 -0.459 -17.730 15.489 1.00 0.00 C ATOM 1381 O SER A 90 0.307 -18.523 14.953 1.00 0.00 O ATOM 1382 CB SER A 90 -0.033 -16.903 17.813 1.00 0.00 C ATOM 1383 OG SER A 90 0.238 -15.755 18.608 1.00 0.00 O ATOM 0 H SER A 90 -0.990 -14.883 16.860 1.00 0.00 H new ATOM 0 HA SER A 90 1.148 -16.457 16.054 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.039 -17.267 18.023 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.657 -17.704 18.076 1.00 0.00 H new ATOM 0 HG SER A 90 0.147 -15.985 19.556 1.00 0.00 H new ATOM 1389 N LYS A 91 -1.781 -17.817 15.343 1.00 0.00 N ATOM 1390 CA LYS A 91 -2.437 -18.859 14.565 1.00 0.00 C ATOM 1391 C LYS A 91 -2.115 -18.733 13.084 1.00 0.00 C ATOM 1392 O LYS A 91 -1.982 -19.766 12.439 1.00 0.00 O ATOM 1393 CB LYS A 91 -3.950 -18.889 14.806 1.00 0.00 C ATOM 1394 CG LYS A 91 -4.251 -19.187 16.284 1.00 0.00 C ATOM 1395 CD LYS A 91 -5.606 -19.876 16.444 1.00 0.00 C ATOM 1396 CE LYS A 91 -5.899 -20.097 17.935 1.00 0.00 C ATOM 1397 NZ LYS A 91 -7.194 -20.787 18.161 1.00 0.00 N ATOM 0 H LYS A 91 -2.431 -17.156 15.768 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.039 -19.813 14.911 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.389 -17.932 14.525 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.410 -19.648 14.174 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.467 -19.821 16.697 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.243 -18.258 16.854 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.390 -19.266 15.995 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.604 -20.831 15.918 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.095 -20.685 18.377 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.909 -19.135 18.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -7.347 -20.913 19.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.966 -20.215 17.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.178 -21.717 17.696 1.00 0.00 H new ATOM 1411 N ILE A 92 -1.928 -17.527 12.538 1.00 0.00 N ATOM 1412 CA ILE A 92 -1.487 -17.380 11.149 1.00 0.00 C ATOM 1413 C ILE A 92 -0.146 -18.111 10.996 1.00 0.00 C ATOM 1414 O ILE A 92 0.003 -18.941 10.099 1.00 0.00 O ATOM 1415 CB ILE A 92 -1.387 -15.894 10.718 1.00 0.00 C ATOM 1416 CG1 ILE A 92 -2.675 -15.092 11.016 1.00 0.00 C ATOM 1417 CG2 ILE A 92 -1.059 -15.825 9.215 1.00 0.00 C ATOM 1418 CD1 ILE A 92 -2.493 -13.578 10.850 1.00 0.00 C ATOM 0 H ILE A 92 -2.074 -16.647 13.032 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.228 -17.824 10.485 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.592 -15.435 11.305 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.469 -15.431 10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -3.000 -15.303 12.035 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.987 -14.782 8.906 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.109 -16.325 9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.848 -16.318 8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.432 -13.072 11.073 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.720 -13.227 11.534 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.197 -13.357 9.824 1.00 0.00 H new ATOM 1430 N ILE A 93 0.805 -17.855 11.904 1.00 0.00 N ATOM 1431 CA ILE A 93 2.106 -18.517 11.902 1.00 0.00 C ATOM 1432 C ILE A 93 1.923 -20.024 12.098 1.00 0.00 C ATOM 1433 O ILE A 93 2.517 -20.810 11.364 1.00 0.00 O ATOM 1434 CB ILE A 93 3.031 -17.929 12.997 1.00 0.00 C ATOM 1435 CG1 ILE A 93 3.087 -16.388 13.023 1.00 0.00 C ATOM 1436 CG2 ILE A 93 4.447 -18.502 12.847 1.00 0.00 C ATOM 1437 CD1 ILE A 93 3.457 -15.735 11.691 1.00 0.00 C ATOM 0 H ILE A 93 0.689 -17.181 12.660 1.00 0.00 H new ATOM 0 HA ILE A 93 2.583 -18.342 10.938 1.00 0.00 H new ATOM 0 HB ILE A 93 2.593 -18.227 13.950 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.115 -16.009 13.339 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.811 -16.078 13.777 1.00 0.00 H new ATOM 0 HG21 ILE A 93 5.092 -18.084 13.620 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.413 -19.587 12.949 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.842 -18.242 11.865 1.00 0.00 H new ATOM 0 HD11 ILE A 93 3.471 -14.651 11.808 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.443 -16.079 11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 93 2.721 -16.009 10.935 1.00 0.00 H new ATOM 1449 N GLN A 94 1.105 -20.434 13.072 1.00 0.00 N ATOM 1450 CA GLN A 94 0.924 -21.840 13.408 1.00 0.00 C ATOM 1451 C GLN A 94 0.412 -22.592 12.181 1.00 0.00 C ATOM 1452 O GLN A 94 0.963 -23.641 11.848 1.00 0.00 O ATOM 1453 CB GLN A 94 0.110 -22.023 14.712 1.00 0.00 C ATOM 1454 CG GLN A 94 -1.355 -22.474 14.609 1.00 0.00 C ATOM 1455 CD GLN A 94 -1.587 -23.875 14.026 1.00 0.00 C ATOM 1456 OE1 GLN A 94 -2.386 -24.037 13.109 1.00 0.00 O ATOM 1457 NE2 GLN A 94 -0.913 -24.907 14.504 1.00 0.00 N ATOM 0 H GLN A 94 0.552 -19.797 13.646 1.00 0.00 H new ATOM 0 HA GLN A 94 1.880 -22.300 13.657 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.637 -22.749 15.331 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.127 -21.074 15.248 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.796 -22.439 15.605 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.895 -21.753 13.995 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.249 -24.773 15.266 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -1.057 -25.837 14.110 1.00 0.00 H new ATOM 1466 N ARG A 95 -0.580 -22.033 11.470 1.00 0.00 N ATOM 1467 CA ARG A 95 -1.065 -22.646 10.237 1.00 0.00 C ATOM 1468 C ARG A 95 0.075 -22.679 9.231 1.00 0.00 C ATOM 1469 O ARG A 95 0.363 -23.749 8.714 1.00 0.00 O ATOM 1470 CB ARG A 95 -2.286 -21.925 9.637 1.00 0.00 C ATOM 1471 CG ARG A 95 -3.662 -22.371 10.162 1.00 0.00 C ATOM 1472 CD ARG A 95 -4.110 -21.661 11.443 1.00 0.00 C ATOM 1473 NE ARG A 95 -5.516 -21.959 11.770 1.00 0.00 N ATOM 1474 CZ ARG A 95 -5.985 -23.037 12.416 1.00 0.00 C ATOM 1475 NH1 ARG A 95 -5.163 -23.980 12.872 1.00 0.00 N ATOM 1476 NH2 ARG A 95 -7.294 -23.168 12.604 1.00 0.00 N ATOM 0 H ARG A 95 -1.053 -21.167 11.729 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.401 -23.655 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -2.178 -20.856 9.822 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.270 -22.065 8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.407 -22.198 9.386 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.637 -23.445 10.346 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.471 -21.968 12.271 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -3.984 -20.585 11.325 1.00 0.00 H new ATOM 0 HE ARG A 95 -6.208 -21.271 11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.157 -23.890 12.733 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.540 -24.792 13.361 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -7.933 -22.452 12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.660 -23.984 13.094 1.00 0.00 H new ATOM 1490 N ALA A 96 0.739 -21.547 8.975 1.00 0.00 N ATOM 1491 CA ALA A 96 1.786 -21.431 7.971 1.00 0.00 C ATOM 1492 C ALA A 96 2.814 -22.544 8.133 1.00 0.00 C ATOM 1493 O ALA A 96 3.112 -23.260 7.182 1.00 0.00 O ATOM 1494 CB ALA A 96 2.443 -20.043 8.051 1.00 0.00 C ATOM 0 H ALA A 96 0.556 -20.675 9.471 1.00 0.00 H new ATOM 0 HA ALA A 96 1.340 -21.539 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 96 3.225 -19.967 7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 96 1.691 -19.274 7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 96 2.879 -19.903 9.040 1.00 0.00 H new ATOM 1500 N GLU A 97 3.304 -22.744 9.351 1.00 0.00 N ATOM 1501 CA GLU A 97 4.349 -23.717 9.620 1.00 0.00 C ATOM 1502 C GLU A 97 3.814 -25.158 9.640 1.00 0.00 C ATOM 1503 O GLU A 97 4.601 -26.089 9.462 1.00 0.00 O ATOM 1504 CB GLU A 97 5.110 -23.339 10.899 1.00 0.00 C ATOM 1505 CG GLU A 97 5.772 -21.957 10.746 1.00 0.00 C ATOM 1506 CD GLU A 97 6.871 -21.706 11.791 1.00 0.00 C ATOM 1507 OE1 GLU A 97 6.596 -21.749 13.013 1.00 0.00 O ATOM 1508 OE2 GLU A 97 8.029 -21.455 11.384 1.00 0.00 O ATOM 0 H GLU A 97 2.987 -22.236 10.177 1.00 0.00 H new ATOM 0 HA GLU A 97 5.062 -23.690 8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.425 -23.328 11.747 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.870 -24.091 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 97 6.200 -21.873 9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.010 -21.182 10.833 1.00 0.00 H new ATOM 1515 N GLU A 98 2.500 -25.376 9.786 1.00 0.00 N ATOM 1516 CA GLU A 98 1.876 -26.673 9.585 1.00 0.00 C ATOM 1517 C GLU A 98 1.851 -27.025 8.092 1.00 0.00 C ATOM 1518 O GLU A 98 1.826 -28.200 7.719 1.00 0.00 O ATOM 1519 CB GLU A 98 0.441 -26.633 10.150 1.00 0.00 C ATOM 1520 CG GLU A 98 0.195 -27.843 11.042 1.00 0.00 C ATOM 1521 CD GLU A 98 -1.122 -27.730 11.830 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -2.192 -28.092 11.289 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -1.090 -27.315 13.012 1.00 0.00 O ATOM 0 H GLU A 98 1.841 -24.643 10.050 1.00 0.00 H new ATOM 0 HA GLU A 98 2.451 -27.439 10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.292 -25.716 10.719 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.280 -26.622 9.332 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.173 -28.744 10.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.025 -27.952 11.740 1.00 0.00 H new ATOM 1530 N LEU A 99 1.835 -25.999 7.239 1.00 0.00 N ATOM 1531 CA LEU A 99 1.621 -26.114 5.806 1.00 0.00 C ATOM 1532 C LEU A 99 2.953 -26.204 5.069 1.00 0.00 C ATOM 1533 O LEU A 99 2.994 -26.835 4.020 1.00 0.00 O ATOM 1534 CB LEU A 99 0.787 -24.919 5.310 1.00 0.00 C ATOM 1535 CG LEU A 99 -0.617 -24.864 5.947 1.00 0.00 C ATOM 1536 CD1 LEU A 99 -1.194 -23.448 5.847 1.00 0.00 C ATOM 1537 CD2 LEU A 99 -1.575 -25.869 5.299 1.00 0.00 C ATOM 0 H LEU A 99 1.976 -25.036 7.543 1.00 0.00 H new ATOM 0 HA LEU A 99 1.070 -27.031 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.318 -23.994 5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.687 -24.976 4.226 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.510 -25.135 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.185 -23.426 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.540 -22.751 6.370 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.269 -23.159 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.553 -25.799 5.776 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.672 -25.646 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.182 -26.878 5.423 1.00 0.00 H new ATOM 1549 N VAL A 100 4.041 -25.641 5.602 1.00 0.00 N ATOM 1550 CA VAL A 100 5.391 -25.837 5.071 1.00 0.00 C ATOM 1551 C VAL A 100 5.641 -27.340 4.887 1.00 0.00 C ATOM 1552 O VAL A 100 5.476 -28.128 5.822 1.00 0.00 O ATOM 1553 CB VAL A 100 6.426 -25.166 6.001 1.00 0.00 C ATOM 1554 CG1 VAL A 100 7.881 -25.495 5.627 1.00 0.00 C ATOM 1555 CG2 VAL A 100 6.284 -23.639 5.956 1.00 0.00 C ATOM 0 H VAL A 100 4.009 -25.032 6.420 1.00 0.00 H new ATOM 0 HA VAL A 100 5.494 -25.362 4.095 1.00 0.00 H new ATOM 0 HB VAL A 100 6.217 -25.561 6.995 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.557 -24.993 6.319 1.00 0.00 H new ATOM 0 HG12 VAL A 100 8.037 -26.572 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.082 -25.154 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.022 -23.185 6.618 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.446 -23.288 4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 100 5.283 -23.357 6.281 1.00 0.00 H new ATOM 1565 N GLY A 101 6.029 -27.728 3.670 1.00 0.00 N ATOM 1566 CA GLY A 101 6.313 -29.103 3.298 1.00 0.00 C ATOM 1567 C GLY A 101 5.087 -29.845 2.760 1.00 0.00 C ATOM 1568 O GLY A 101 5.243 -30.990 2.329 1.00 0.00 O ATOM 0 H GLY A 101 6.156 -27.071 2.900 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.098 -29.114 2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.700 -29.636 4.167 1.00 0.00 H new ATOM 1572 N GLN A 102 3.887 -29.245 2.767 1.00 0.00 N ATOM 1573 CA GLN A 102 2.719 -29.861 2.149 1.00 0.00 C ATOM 1574 C GLN A 102 2.747 -29.580 0.655 1.00 0.00 C ATOM 1575 O GLN A 102 3.307 -28.582 0.195 1.00 0.00 O ATOM 1576 CB GLN A 102 1.399 -29.385 2.778 1.00 0.00 C ATOM 1577 CG GLN A 102 1.248 -29.986 4.182 1.00 0.00 C ATOM 1578 CD GLN A 102 -0.130 -29.740 4.805 1.00 0.00 C ATOM 1579 OE1 GLN A 102 -1.167 -29.931 4.173 1.00 0.00 O ATOM 1580 NE2 GLN A 102 -0.190 -29.338 6.066 1.00 0.00 N ATOM 0 H GLN A 102 3.707 -28.336 3.194 1.00 0.00 H new ATOM 0 HA GLN A 102 2.765 -30.936 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.384 -28.297 2.834 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.558 -29.684 2.152 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.429 -31.060 4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.013 -29.565 4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 102 0.669 -29.179 6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.096 -29.188 6.511 1.00 0.00 H new ATOM 1589 N GLU A 103 2.114 -30.471 -0.098 1.00 0.00 N ATOM 1590 CA GLU A 103 2.111 -30.438 -1.549 1.00 0.00 C ATOM 1591 C GLU A 103 0.757 -29.935 -2.037 1.00 0.00 C ATOM 1592 O GLU A 103 -0.272 -30.171 -1.398 1.00 0.00 O ATOM 1593 CB GLU A 103 2.375 -31.843 -2.116 1.00 0.00 C ATOM 1594 CG GLU A 103 3.732 -32.435 -1.705 1.00 0.00 C ATOM 1595 CD GLU A 103 3.968 -33.801 -2.370 1.00 0.00 C ATOM 1596 OE1 GLU A 103 4.043 -33.863 -3.619 1.00 0.00 O ATOM 1597 OE2 GLU A 103 4.092 -34.820 -1.653 1.00 0.00 O ATOM 0 H GLU A 103 1.581 -31.248 0.292 1.00 0.00 H new ATOM 0 HA GLU A 103 2.900 -29.769 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.582 -32.513 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.322 -31.801 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.531 -31.748 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.771 -32.544 -0.621 1.00 0.00 H new ATOM 1604 N VAL A 104 0.758 -29.301 -3.206 1.00 0.00 N ATOM 1605 CA VAL A 104 -0.434 -28.940 -3.950 1.00 0.00 C ATOM 1606 C VAL A 104 -0.270 -29.429 -5.397 1.00 0.00 C ATOM 1607 O VAL A 104 0.789 -29.927 -5.781 1.00 0.00 O ATOM 1608 CB VAL A 104 -0.702 -27.430 -3.819 1.00 0.00 C ATOM 1609 CG1 VAL A 104 -1.125 -27.039 -2.396 1.00 0.00 C ATOM 1610 CG2 VAL A 104 0.457 -26.532 -4.261 1.00 0.00 C ATOM 0 H VAL A 104 1.619 -29.017 -3.673 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.321 -29.427 -3.545 1.00 0.00 H new ATOM 0 HB VAL A 104 -1.524 -27.254 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.303 -25.965 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.039 -27.570 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -0.334 -27.305 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.177 -25.487 -4.133 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.337 -26.749 -3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.684 -26.721 -5.310 1.00 0.00 H new ATOM 1620 N LEU A 105 -1.330 -29.333 -6.206 1.00 0.00 N ATOM 1621 CA LEU A 105 -1.395 -29.954 -7.533 1.00 0.00 C ATOM 1622 C LEU A 105 -1.657 -28.915 -8.633 1.00 0.00 C ATOM 1623 O LEU A 105 -1.996 -29.271 -9.762 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.482 -31.051 -7.545 1.00 0.00 C ATOM 1625 CG LEU A 105 -2.214 -32.374 -6.793 1.00 0.00 C ATOM 1626 CD1 LEU A 105 -0.869 -33.005 -7.173 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -2.317 -32.262 -5.267 1.00 0.00 C ATOM 0 H LEU A 105 -2.174 -28.818 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.427 -30.408 -7.744 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.393 -30.617 -7.134 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.689 -31.299 -8.586 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.020 -33.030 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.731 -33.932 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.856 -33.219 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.062 -32.313 -6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.115 -33.234 -4.816 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.589 -31.536 -4.905 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.321 -31.937 -4.993 1.00 0.00 H new ATOM 1639 N TYR A 106 -1.496 -27.634 -8.309 1.00 0.00 N ATOM 1640 CA TYR A 106 -1.557 -26.524 -9.254 1.00 0.00 C ATOM 1641 C TYR A 106 -0.167 -25.902 -9.393 1.00 0.00 C ATOM 1642 O TYR A 106 0.632 -25.923 -8.455 1.00 0.00 O ATOM 1643 CB TYR A 106 -2.605 -25.498 -8.798 1.00 0.00 C ATOM 1644 CG TYR A 106 -2.451 -24.973 -7.377 1.00 0.00 C ATOM 1645 CD1 TYR A 106 -1.423 -24.062 -7.056 1.00 0.00 C ATOM 1646 CD2 TYR A 106 -3.348 -25.390 -6.375 1.00 0.00 C ATOM 1647 CE1 TYR A 106 -1.295 -23.569 -5.745 1.00 0.00 C ATOM 1648 CE2 TYR A 106 -3.235 -24.891 -5.065 1.00 0.00 C ATOM 1649 CZ TYR A 106 -2.211 -23.971 -4.745 1.00 0.00 C ATOM 1650 OH TYR A 106 -2.116 -23.483 -3.477 1.00 0.00 O ATOM 0 H TYR A 106 -1.314 -27.332 -7.352 1.00 0.00 H new ATOM 0 HA TYR A 106 -1.866 -26.885 -10.235 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.576 -24.650 -9.482 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -3.592 -25.950 -8.892 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.731 -23.742 -7.821 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.128 -26.098 -6.614 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.497 -22.883 -5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -3.931 -25.211 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 106 -2.828 -23.867 -2.924 1.00 0.00 H new ATOM 1660 N LYS A 107 0.128 -25.358 -10.573 1.00 0.00 N ATOM 1661 CA LYS A 107 1.385 -24.720 -10.901 1.00 0.00 C ATOM 1662 C LYS A 107 1.590 -23.412 -10.137 1.00 0.00 C ATOM 1663 O LYS A 107 0.625 -22.783 -9.693 1.00 0.00 O ATOM 1664 CB LYS A 107 1.339 -24.425 -12.410 1.00 0.00 C ATOM 1665 CG LYS A 107 2.731 -24.578 -13.014 1.00 0.00 C ATOM 1666 CD LYS A 107 2.816 -24.221 -14.507 1.00 0.00 C ATOM 1667 CE LYS A 107 2.024 -25.192 -15.396 1.00 0.00 C ATOM 1668 NZ LYS A 107 2.113 -24.830 -16.834 1.00 0.00 N ATOM 0 H LYS A 107 -0.532 -25.354 -11.350 1.00 0.00 H new ATOM 0 HA LYS A 107 2.211 -25.376 -10.626 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.644 -25.106 -12.901 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.969 -23.414 -12.580 1.00 0.00 H new ATOM 0 HG2 LYS A 107 3.426 -23.946 -12.461 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.061 -25.608 -12.879 1.00 0.00 H new ATOM 0 HD2 LYS A 107 2.439 -23.209 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.861 -24.221 -14.817 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.402 -26.204 -15.253 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.979 -25.195 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.565 -25.511 -17.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 1.729 -23.874 -16.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.108 -24.852 -17.137 1.00 0.00 H new ATOM 1682 N LEU A 108 2.842 -22.957 -10.068 1.00 0.00 N ATOM 1683 CA LEU A 108 3.166 -21.617 -9.602 1.00 0.00 C ATOM 1684 C LEU A 108 2.556 -20.627 -10.591 1.00 0.00 C ATOM 1685 O LEU A 108 2.876 -20.672 -11.782 1.00 0.00 O ATOM 1686 CB LEU A 108 4.690 -21.356 -9.559 1.00 0.00 C ATOM 1687 CG LEU A 108 5.533 -22.095 -8.509 1.00 0.00 C ATOM 1688 CD1 LEU A 108 4.940 -21.962 -7.105 1.00 0.00 C ATOM 1689 CD2 LEU A 108 5.754 -23.568 -8.868 1.00 0.00 C ATOM 0 H LEU A 108 3.656 -23.510 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 108 2.775 -21.506 -8.590 1.00 0.00 H new ATOM 0 HB2 LEU A 108 5.096 -21.600 -10.541 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.839 -20.287 -9.410 1.00 0.00 H new ATOM 0 HG LEU A 108 6.509 -21.610 -8.509 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.567 -22.499 -6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 108 4.895 -20.909 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.935 -22.383 -7.093 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.355 -24.045 -8.094 1.00 0.00 H new ATOM 0 HD22 LEU A 108 4.791 -24.073 -8.942 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.273 -23.636 -9.824 1.00 0.00 H new ATOM 1701 N THR A 109 1.729 -19.715 -10.095 1.00 0.00 N ATOM 1702 CA THR A 109 1.251 -18.548 -10.815 1.00 0.00 C ATOM 1703 C THR A 109 1.147 -17.437 -9.772 1.00 0.00 C ATOM 1704 O THR A 109 1.009 -17.715 -8.572 1.00 0.00 O ATOM 1705 CB THR A 109 -0.106 -18.805 -11.504 1.00 0.00 C ATOM 1706 OG1 THR A 109 -1.082 -19.159 -10.551 1.00 0.00 O ATOM 1707 CG2 THR A 109 -0.066 -19.906 -12.569 1.00 0.00 C ATOM 0 H THR A 109 1.361 -19.773 -9.145 1.00 0.00 H new ATOM 0 HA THR A 109 1.933 -18.280 -11.622 1.00 0.00 H new ATOM 0 HB THR A 109 -0.354 -17.868 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 109 -1.937 -19.317 -11.002 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.057 -20.026 -13.006 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.644 -19.632 -13.349 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.244 -20.845 -12.110 1.00 0.00 H new ATOM 1715 N SER A 110 1.180 -16.181 -10.218 1.00 0.00 N ATOM 1716 CA SER A 110 0.943 -15.036 -9.355 1.00 0.00 C ATOM 1717 C SER A 110 -0.384 -15.203 -8.610 1.00 0.00 C ATOM 1718 O SER A 110 -0.433 -15.021 -7.394 1.00 0.00 O ATOM 1719 CB SER A 110 0.941 -13.777 -10.224 1.00 0.00 C ATOM 1720 OG SER A 110 2.164 -13.658 -10.927 1.00 0.00 O ATOM 0 H SER A 110 1.372 -15.934 -11.189 1.00 0.00 H new ATOM 0 HA SER A 110 1.728 -14.954 -8.603 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.111 -13.816 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.787 -12.897 -9.599 1.00 0.00 H new ATOM 0 HG SER A 110 2.883 -13.442 -10.298 1.00 0.00 H new ATOM 1726 N GLU A 111 -1.440 -15.611 -9.322 1.00 0.00 N ATOM 1727 CA GLU A 111 -2.773 -15.750 -8.752 1.00 0.00 C ATOM 1728 C GLU A 111 -2.851 -16.898 -7.746 1.00 0.00 C ATOM 1729 O GLU A 111 -3.507 -16.745 -6.719 1.00 0.00 O ATOM 1730 CB GLU A 111 -3.829 -15.886 -9.861 1.00 0.00 C ATOM 1731 CG GLU A 111 -3.637 -17.067 -10.825 1.00 0.00 C ATOM 1732 CD GLU A 111 -4.726 -17.084 -11.912 1.00 0.00 C ATOM 1733 OE1 GLU A 111 -5.808 -17.677 -11.692 1.00 0.00 O ATOM 1734 OE2 GLU A 111 -4.512 -16.516 -13.008 1.00 0.00 O ATOM 0 H GLU A 111 -1.388 -15.853 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.990 -14.838 -8.195 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.809 -15.978 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.839 -14.964 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -2.655 -17.002 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -3.663 -18.003 -10.267 1.00 0.00 H new ATOM 1741 N ASN A 112 -2.175 -18.026 -7.986 1.00 0.00 N ATOM 1742 CA ASN A 112 -2.214 -19.152 -7.050 1.00 0.00 C ATOM 1743 C ASN A 112 -1.478 -18.804 -5.762 1.00 0.00 C ATOM 1744 O ASN A 112 -1.943 -19.178 -4.683 1.00 0.00 O ATOM 1745 CB ASN A 112 -1.625 -20.432 -7.665 1.00 0.00 C ATOM 1746 CG ASN A 112 -2.595 -21.154 -8.604 1.00 0.00 C ATOM 1747 OD1 ASN A 112 -3.813 -21.060 -8.468 1.00 0.00 O ATOM 1748 ND2 ASN A 112 -2.089 -21.901 -9.571 1.00 0.00 N ATOM 0 H ASN A 112 -1.599 -18.182 -8.813 1.00 0.00 H new ATOM 0 HA ASN A 112 -3.262 -19.345 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -0.719 -20.179 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -1.333 -21.111 -6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -2.710 -22.401 -10.207 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.078 -21.977 -9.681 1.00 0.00 H new ATOM 1755 N CYS A 113 -0.361 -18.070 -5.846 1.00 0.00 N ATOM 1756 CA CYS A 113 0.323 -17.608 -4.645 1.00 0.00 C ATOM 1757 C CYS A 113 -0.577 -16.622 -3.896 1.00 0.00 C ATOM 1758 O CYS A 113 -0.759 -16.766 -2.688 1.00 0.00 O ATOM 1759 CB CYS A 113 1.670 -16.952 -4.983 1.00 0.00 C ATOM 1760 SG CYS A 113 2.727 -18.097 -5.914 1.00 0.00 S ATOM 0 H CYS A 113 0.079 -17.790 -6.723 1.00 0.00 H new ATOM 0 HA CYS A 113 0.529 -18.470 -4.011 1.00 0.00 H new ATOM 0 HB2 CYS A 113 1.503 -16.047 -5.567 1.00 0.00 H new ATOM 0 HB3 CYS A 113 2.173 -16.650 -4.065 1.00 0.00 H new ATOM 0 HG CYS A 113 2.290 -18.196 -7.135 1.00 0.00 H new ATOM 1766 N GLU A 114 -1.157 -15.652 -4.614 1.00 0.00 N ATOM 1767 CA GLU A 114 -2.012 -14.610 -4.049 1.00 0.00 C ATOM 1768 C GLU A 114 -3.204 -15.242 -3.322 1.00 0.00 C ATOM 1769 O GLU A 114 -3.519 -14.863 -2.190 1.00 0.00 O ATOM 1770 CB GLU A 114 -2.464 -13.668 -5.185 1.00 0.00 C ATOM 1771 CG GLU A 114 -3.063 -12.349 -4.679 1.00 0.00 C ATOM 1772 CD GLU A 114 -3.165 -11.262 -5.774 1.00 0.00 C ATOM 1773 OE1 GLU A 114 -2.216 -11.070 -6.576 1.00 0.00 O ATOM 1774 OE2 GLU A 114 -4.188 -10.544 -5.792 1.00 0.00 O ATOM 0 H GLU A 114 -1.040 -15.571 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 114 -1.461 -14.025 -3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.611 -13.449 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.202 -14.181 -5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.057 -12.541 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -2.452 -11.972 -3.859 1.00 0.00 H new ATOM 1781 N HIS A 115 -3.819 -16.245 -3.952 1.00 0.00 N ATOM 1782 CA HIS A 115 -4.931 -17.005 -3.412 1.00 0.00 C ATOM 1783 C HIS A 115 -4.513 -17.641 -2.094 1.00 0.00 C ATOM 1784 O HIS A 115 -5.148 -17.390 -1.071 1.00 0.00 O ATOM 1785 CB HIS A 115 -5.381 -18.055 -4.446 1.00 0.00 C ATOM 1786 CG HIS A 115 -6.419 -19.018 -3.922 1.00 0.00 C ATOM 1787 ND1 HIS A 115 -7.801 -18.912 -4.110 1.00 0.00 N ATOM 1788 CD2 HIS A 115 -6.159 -20.098 -3.131 1.00 0.00 C ATOM 1789 CE1 HIS A 115 -8.340 -19.912 -3.387 1.00 0.00 C ATOM 1790 NE2 HIS A 115 -7.378 -20.626 -2.778 1.00 0.00 N ATOM 0 H HIS A 115 -3.542 -16.555 -4.883 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.780 -16.352 -3.211 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -5.783 -17.542 -5.320 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -4.510 -18.620 -4.780 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -5.186 -20.466 -2.839 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -9.398 -20.112 -3.308 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -7.527 -21.423 -2.160 1.00 0.00 H new ATOM 1798 N PHE A 116 -3.434 -18.432 -2.096 1.00 0.00 N ATOM 1799 CA PHE A 116 -3.058 -19.213 -0.928 1.00 0.00 C ATOM 1800 C PHE A 116 -2.743 -18.325 0.265 1.00 0.00 C ATOM 1801 O PHE A 116 -3.234 -18.593 1.360 1.00 0.00 O ATOM 1802 CB PHE A 116 -1.852 -20.102 -1.264 1.00 0.00 C ATOM 1803 CG PHE A 116 -1.141 -20.672 -0.043 1.00 0.00 C ATOM 1804 CD1 PHE A 116 -1.565 -21.884 0.534 1.00 0.00 C ATOM 1805 CD2 PHE A 116 -0.066 -19.967 0.539 1.00 0.00 C ATOM 1806 CE1 PHE A 116 -0.920 -22.383 1.681 1.00 0.00 C ATOM 1807 CE2 PHE A 116 0.564 -20.452 1.698 1.00 0.00 C ATOM 1808 CZ PHE A 116 0.142 -21.667 2.264 1.00 0.00 C ATOM 0 H PHE A 116 -2.811 -18.543 -2.896 1.00 0.00 H new ATOM 0 HA PHE A 116 -3.907 -19.840 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.186 -20.926 -1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -1.138 -19.522 -1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -2.386 -22.432 0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 116 0.276 -19.046 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.241 -23.318 2.115 1.00 0.00 H new ATOM 0 HE2 PHE A 116 1.369 -19.893 2.152 1.00 0.00 H new ATOM 0 HZ PHE A 116 0.633 -22.051 3.146 1.00 0.00 H new ATOM 1818 N VAL A 117 -1.940 -17.277 0.080 1.00 0.00 N ATOM 1819 CA VAL A 117 -1.574 -16.435 1.216 1.00 0.00 C ATOM 1820 C VAL A 117 -2.816 -15.745 1.800 1.00 0.00 C ATOM 1821 O VAL A 117 -2.894 -15.566 3.016 1.00 0.00 O ATOM 1822 CB VAL A 117 -0.430 -15.461 0.883 1.00 0.00 C ATOM 1823 CG1 VAL A 117 0.826 -16.207 0.410 1.00 0.00 C ATOM 1824 CG2 VAL A 117 -0.805 -14.379 -0.141 1.00 0.00 C ATOM 0 H VAL A 117 -1.542 -16.997 -0.816 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.172 -17.079 1.998 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.220 -14.948 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.613 -15.488 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 117 1.166 -16.882 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 117 0.592 -16.782 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 117 0.055 -13.734 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -1.106 -14.852 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.631 -13.782 0.246 1.00 0.00 H new ATOM 1834 N ASN A 118 -3.817 -15.406 0.975 1.00 0.00 N ATOM 1835 CA ASN A 118 -5.064 -14.827 1.473 1.00 0.00 C ATOM 1836 C ASN A 118 -5.881 -15.877 2.218 1.00 0.00 C ATOM 1837 O ASN A 118 -6.407 -15.588 3.292 1.00 0.00 O ATOM 1838 CB ASN A 118 -5.878 -14.178 0.342 1.00 0.00 C ATOM 1839 CG ASN A 118 -5.375 -12.775 0.049 1.00 0.00 C ATOM 1840 OD1 ASN A 118 -5.933 -11.802 0.540 1.00 0.00 O ATOM 1841 ND2 ASN A 118 -4.285 -12.629 -0.679 1.00 0.00 N ATOM 0 H ASN A 118 -3.784 -15.524 -0.038 1.00 0.00 H new ATOM 0 HA ASN A 118 -4.810 -14.034 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -5.809 -14.789 -0.558 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -6.931 -14.140 0.622 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -3.899 -11.698 -0.838 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -3.828 -13.447 -1.083 1.00 0.00 H new ATOM 1848 N GLU A 119 -5.932 -17.103 1.697 1.00 0.00 N ATOM 1849 CA GLU A 119 -6.512 -18.256 2.364 1.00 0.00 C ATOM 1850 C GLU A 119 -5.897 -18.441 3.752 1.00 0.00 C ATOM 1851 O GLU A 119 -6.612 -18.654 4.727 1.00 0.00 O ATOM 1852 CB GLU A 119 -6.312 -19.508 1.484 1.00 0.00 C ATOM 1853 CG GLU A 119 -7.537 -20.416 1.530 1.00 0.00 C ATOM 1854 CD GLU A 119 -7.286 -21.774 0.850 1.00 0.00 C ATOM 1855 OE1 GLU A 119 -6.720 -22.685 1.496 1.00 0.00 O ATOM 1856 OE2 GLU A 119 -7.682 -21.954 -0.325 1.00 0.00 O ATOM 0 H GLU A 119 -5.559 -17.322 0.773 1.00 0.00 H new ATOM 0 HA GLU A 119 -7.581 -18.097 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -6.119 -19.205 0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -5.435 -20.059 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -7.825 -20.580 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -8.374 -19.917 1.042 1.00 0.00 H new ATOM 1863 N LEU A 120 -4.578 -18.308 3.859 1.00 0.00 N ATOM 1864 CA LEU A 120 -3.838 -18.481 5.088 1.00 0.00 C ATOM 1865 C LEU A 120 -4.071 -17.325 6.066 1.00 0.00 C ATOM 1866 O LEU A 120 -4.292 -17.579 7.248 1.00 0.00 O ATOM 1867 CB LEU A 120 -2.370 -18.635 4.687 1.00 0.00 C ATOM 1868 CG LEU A 120 -1.397 -18.904 5.837 1.00 0.00 C ATOM 1869 CD1 LEU A 120 -1.873 -20.009 6.777 1.00 0.00 C ATOM 1870 CD2 LEU A 120 -0.070 -19.318 5.196 1.00 0.00 C ATOM 0 H LEU A 120 -3.984 -18.070 3.064 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.176 -19.365 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.291 -19.452 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.055 -17.727 4.173 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.308 -18.005 6.446 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.140 -20.152 7.571 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.831 -19.727 7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.988 -20.938 6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.663 -19.522 5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.220 -20.215 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.294 -18.512 4.559 1.00 0.00 H new ATOM 1882 N ARG A 121 -4.044 -16.064 5.613 1.00 0.00 N ATOM 1883 CA ARG A 121 -4.194 -14.929 6.524 1.00 0.00 C ATOM 1884 C ARG A 121 -5.634 -14.746 7.005 1.00 0.00 C ATOM 1885 O ARG A 121 -5.831 -14.344 8.151 1.00 0.00 O ATOM 1886 CB ARG A 121 -3.683 -13.649 5.846 1.00 0.00 C ATOM 1887 CG ARG A 121 -3.489 -12.523 6.874 1.00 0.00 C ATOM 1888 CD ARG A 121 -2.789 -11.310 6.260 1.00 0.00 C ATOM 1889 NE ARG A 121 -2.407 -10.330 7.283 1.00 0.00 N ATOM 1890 CZ ARG A 121 -3.115 -9.269 7.683 1.00 0.00 C ATOM 1891 NH1 ARG A 121 -4.368 -9.086 7.272 1.00 0.00 N ATOM 1892 NH2 ARG A 121 -2.564 -8.385 8.505 1.00 0.00 N ATOM 0 H ARG A 121 -3.921 -15.809 4.633 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.595 -15.139 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.739 -13.852 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -4.391 -13.330 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.459 -12.221 7.270 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.903 -12.895 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.901 -11.637 5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.449 -10.838 5.532 1.00 0.00 H new ATOM 0 HE ARG A 121 -1.505 -10.474 7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -4.802 -9.761 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -4.894 -8.271 7.587 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -1.606 -8.517 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.099 -7.573 8.814 1.00 0.00 H new ATOM 1906 N TYR A 122 -6.630 -15.024 6.157 1.00 0.00 N ATOM 1907 CA TYR A 122 -8.021 -14.646 6.414 1.00 0.00 C ATOM 1908 C TYR A 122 -8.968 -15.855 6.449 1.00 0.00 C ATOM 1909 O TYR A 122 -10.155 -15.705 6.731 1.00 0.00 O ATOM 1910 CB TYR A 122 -8.424 -13.570 5.382 1.00 0.00 C ATOM 1911 CG TYR A 122 -9.611 -12.696 5.757 1.00 0.00 C ATOM 1912 CD1 TYR A 122 -9.410 -11.495 6.468 1.00 0.00 C ATOM 1913 CD2 TYR A 122 -10.918 -13.070 5.383 1.00 0.00 C ATOM 1914 CE1 TYR A 122 -10.507 -10.697 6.852 1.00 0.00 C ATOM 1915 CE2 TYR A 122 -12.018 -12.282 5.761 1.00 0.00 C ATOM 1916 CZ TYR A 122 -11.819 -11.098 6.509 1.00 0.00 C ATOM 1917 OH TYR A 122 -12.884 -10.345 6.903 1.00 0.00 O ATOM 0 H TYR A 122 -6.493 -15.517 5.275 1.00 0.00 H new ATOM 0 HA TYR A 122 -8.109 -14.221 7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.564 -12.924 5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.648 -14.067 4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -8.407 -11.184 6.721 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -11.074 -13.967 4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -10.346 -9.784 7.406 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -13.017 -12.581 5.480 1.00 0.00 H new ATOM 0 HH TYR A 122 -13.713 -10.759 6.585 1.00 0.00 H new ATOM 1927 N GLY A 123 -8.471 -17.070 6.204 1.00 0.00 N ATOM 1928 CA GLY A 123 -9.224 -18.315 6.348 1.00 0.00 C ATOM 1929 C GLY A 123 -9.777 -18.807 5.011 1.00 0.00 C ATOM 1930 O GLY A 123 -9.958 -20.013 4.826 1.00 0.00 O ATOM 0 H GLY A 123 -7.511 -17.217 5.893 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.579 -19.081 6.778 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.047 -18.163 7.047 1.00 0.00 H new ATOM 1934 N VAL A 124 -10.006 -17.898 4.060 1.00 0.00 N ATOM 1935 CA VAL A 124 -10.405 -18.189 2.691 1.00 0.00 C ATOM 1936 C VAL A 124 -9.917 -17.013 1.833 1.00 0.00 C ATOM 1937 O VAL A 124 -9.950 -15.867 2.296 1.00 0.00 O ATOM 1938 CB VAL A 124 -11.932 -18.440 2.630 1.00 0.00 C ATOM 1939 CG1 VAL A 124 -12.790 -17.240 3.065 1.00 0.00 C ATOM 1940 CG2 VAL A 124 -12.367 -18.918 1.238 1.00 0.00 C ATOM 0 H VAL A 124 -9.913 -16.898 4.236 1.00 0.00 H new ATOM 0 HA VAL A 124 -9.957 -19.103 2.302 1.00 0.00 H new ATOM 0 HB VAL A 124 -12.113 -19.228 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -13.846 -17.502 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -12.552 -16.977 4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -12.581 -16.389 2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -13.444 -19.085 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -12.112 -18.160 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -11.854 -19.849 0.996 1.00 0.00 H new ATOM 1950 N ALA A 125 -9.401 -17.294 0.628 1.00 0.00 N ATOM 1951 CA ALA A 125 -9.001 -16.259 -0.314 1.00 0.00 C ATOM 1952 C ALA A 125 -10.149 -15.280 -0.579 1.00 0.00 C ATOM 1953 O ALA A 125 -11.292 -15.732 -0.805 1.00 0.00 O ATOM 1954 CB ALA A 125 -8.519 -16.888 -1.618 1.00 0.00 C ATOM 1955 OXT ALA A 125 -9.893 -14.059 -0.610 1.00 0.00 O ATOM 0 H ALA A 125 -9.253 -18.244 0.287 1.00 0.00 H new ATOM 0 HA ALA A 125 -8.178 -15.697 0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -8.223 -16.102 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -7.665 -17.535 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -9.324 -17.477 -2.057 1.00 0.00 H new