USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 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 83 HIS : no HD1:sc= -4.84! C(o=-5.8!,f=-8.8!) USER MOD Set 1.2: A 86 HIS : no HE2:sc= -0.484 K(o=-5.8,f=-6.4) USER MOD Set 1.3: A 88 HIS : no HD1:sc= -0.507 K(o=-5.8,f=-8.3) USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0.00232 USER MOD Set 2.2: A 69 GLN : amide:sc= 0.0781 K(o=0.27,f=-1.9!) USER MOD Set 2.3: A 81 THR OG1 : rot -168:sc= 0.191 USER MOD Single : A 53 ASN : amide:sc= 0.459 K(o=0.46,f=-5.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.753 USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= 0.342 (180deg=-0.491) USER MOD Single : A 66 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.22) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0189) USER MOD Single : A 75 THR OG1 : rot -9:sc= 0.601 USER MOD Single : A 77 GLN : amide:sc= -1.08 K(o=-1.1,f=-5.1!) USER MOD Single : A 79 TYR OH : rot -43:sc= 0.303 USER MOD Single : A 82 SER OG : rot 60:sc= 0.356 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 92:sc= 1.21 USER MOD Single : A 91 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.018) USER MOD Single : A 93 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0131) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -108:sc= -0.194 (180deg=-3.48!) USER MOD Single : A 111 TYR OH : rot 20:sc= 1.29 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 114 LYS NZ :NH3+ 158:sc= -0.0957 (180deg=-0.533) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -10! C(o=-10!,f=-18!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -56:sc= 0.696 USER MOD Single : A 129 LYS NZ :NH3+ -134:sc= 1.3 (180deg=0.689) USER MOD Single : A 133 LYS NZ :NH3+ -165:sc= 1.57 (180deg=0.954) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 135 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HE2:sc= 0.871 K(o=0.87,f=-4.8!) USER MOD Single : A 146 ASN : amide:sc= -3.22 K(o=-3.2,f=-7.9!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0.535 USER MOD Single : A 150 LYS NZ :NH3+ -149:sc= 1.22 (180deg=0.869) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -0.0302 X(o=-0.03,f=-0.053) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.583 -9.240 -0.111 1.00 0.80 N ATOM 158 CA ALA A 51 -8.426 -9.276 -0.992 1.00 0.75 C ATOM 159 C ALA A 51 -8.885 -8.897 -2.392 1.00 0.83 C ATOM 160 O ALA A 51 -8.810 -9.696 -3.327 1.00 1.01 O ATOM 161 CB ALA A 51 -7.752 -10.643 -0.974 1.00 0.84 C ATOM 0 HA ALA A 51 -7.677 -8.564 -0.646 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.892 -10.633 -1.643 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.421 -10.872 0.039 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.461 -11.402 -1.305 1.00 0.84 H new ATOM 167 N GLU A 52 -9.386 -7.668 -2.491 1.00 0.75 N ATOM 168 CA GLU A 52 -10.058 -7.155 -3.683 1.00 0.86 C ATOM 169 C GLU A 52 -9.348 -7.545 -4.977 1.00 0.97 C ATOM 170 O GLU A 52 -8.151 -7.308 -5.144 1.00 1.04 O ATOM 171 CB GLU A 52 -10.163 -5.634 -3.597 1.00 0.83 C ATOM 172 CG GLU A 52 -10.648 -5.130 -2.245 1.00 0.91 C ATOM 173 CD GLU A 52 -11.935 -5.801 -1.790 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.943 -5.744 -2.530 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.939 -6.415 -0.705 1.00 1.98 O ATOM 0 H GLU A 52 -9.336 -6.989 -1.732 1.00 0.75 H new ATOM 0 HA GLU A 52 -11.050 -7.606 -3.711 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -9.186 -5.199 -3.808 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.844 -5.281 -4.372 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.872 -5.301 -1.499 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.805 -4.053 -2.300 1.00 0.91 H new ATOM 182 N ASN A 53 -10.101 -8.147 -5.886 1.00 1.07 N ATOM 183 CA ASN A 53 -9.575 -8.553 -7.184 1.00 1.20 C ATOM 184 C ASN A 53 -9.823 -7.465 -8.225 1.00 1.20 C ATOM 185 O ASN A 53 -9.181 -7.436 -9.275 1.00 1.34 O ATOM 186 CB ASN A 53 -10.217 -9.871 -7.644 1.00 1.31 C ATOM 187 CG ASN A 53 -11.729 -9.778 -7.794 1.00 1.88 C ATOM 188 OD1 ASN A 53 -12.396 -9.044 -7.065 1.00 2.59 O ATOM 189 ND2 ASN A 53 -12.279 -10.518 -8.742 1.00 2.43 N ATOM 0 H ASN A 53 -11.087 -8.367 -5.748 1.00 1.07 H new ATOM 0 HA ASN A 53 -8.501 -8.705 -7.080 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -9.781 -10.167 -8.598 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -9.977 -10.655 -6.926 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -13.288 -10.492 -8.888 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -11.694 -11.115 -9.327 1.00 2.43 H new ATOM 196 N LEU A 54 -10.759 -6.574 -7.924 1.00 1.12 N ATOM 197 CA LEU A 54 -11.112 -5.483 -8.816 1.00 1.15 C ATOM 198 C LEU A 54 -10.019 -4.415 -8.825 1.00 1.13 C ATOM 199 O LEU A 54 -9.125 -4.434 -7.977 1.00 1.13 O ATOM 200 CB LEU A 54 -12.425 -4.887 -8.336 1.00 1.18 C ATOM 201 CG LEU A 54 -13.424 -4.533 -9.422 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.829 -5.765 -10.213 1.00 1.28 C ATOM 203 CD2 LEU A 54 -14.629 -3.893 -8.783 1.00 1.81 C ATOM 0 H LEU A 54 -11.293 -6.589 -7.055 1.00 1.12 H new ATOM 0 HA LEU A 54 -11.216 -5.858 -9.834 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.895 -5.594 -7.652 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -12.206 -3.986 -7.762 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.964 -3.834 -10.120 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -14.545 -5.483 -10.985 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.947 -6.204 -10.680 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -14.286 -6.494 -9.543 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -15.355 -3.634 -9.554 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -15.081 -4.591 -8.079 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -14.324 -2.990 -8.254 1.00 1.81 H new ATOM 215 N THR A 55 -10.086 -3.491 -9.781 1.00 1.16 N ATOM 216 CA THR A 55 -9.101 -2.421 -9.866 1.00 1.21 C ATOM 217 C THR A 55 -9.340 -1.395 -8.762 1.00 1.14 C ATOM 218 O THR A 55 -10.479 -1.233 -8.325 1.00 1.09 O ATOM 219 CB THR A 55 -9.128 -1.714 -11.241 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.333 -0.958 -11.396 1.00 1.30 O ATOM 221 CG2 THR A 55 -9.026 -2.720 -12.371 1.00 1.40 C ATOM 0 H THR A 55 -10.807 -3.463 -10.502 1.00 1.16 H new ATOM 0 HA THR A 55 -8.119 -2.877 -9.742 1.00 1.21 H new ATOM 0 HB THR A 55 -8.270 -1.043 -11.281 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.332 -0.516 -12.271 1.00 1.30 H new ATOM 0 HG21 THR A 55 -9.047 -2.197 -13.327 1.00 1.40 H new ATOM 0 HG22 THR A 55 -8.092 -3.274 -12.281 1.00 1.40 H new ATOM 0 HG23 THR A 55 -9.866 -3.413 -12.318 1.00 1.40 H new ATOM 229 N PRO A 56 -8.294 -0.696 -8.291 1.00 1.18 N ATOM 230 CA PRO A 56 -8.385 0.170 -7.104 1.00 1.10 C ATOM 231 C PRO A 56 -9.540 1.164 -7.182 1.00 1.05 C ATOM 232 O PRO A 56 -10.228 1.418 -6.188 1.00 0.97 O ATOM 233 CB PRO A 56 -7.037 0.905 -7.071 1.00 1.21 C ATOM 234 CG PRO A 56 -6.391 0.630 -8.388 1.00 1.38 C ATOM 235 CD PRO A 56 -6.949 -0.674 -8.875 1.00 1.34 C ATOM 0 HA PRO A 56 -8.582 -0.413 -6.204 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.179 1.975 -6.921 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.417 0.547 -6.249 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.601 1.430 -9.097 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.307 0.573 -8.284 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.981 -0.718 -9.964 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.349 -1.520 -8.539 1.00 1.34 H new ATOM 243 N ASP A 57 -9.782 1.672 -8.381 1.00 1.13 N ATOM 244 CA ASP A 57 -10.821 2.663 -8.601 1.00 1.14 C ATOM 245 C ASP A 57 -12.175 2.018 -8.410 1.00 1.07 C ATOM 246 O ASP A 57 -13.025 2.528 -7.684 1.00 1.05 O ATOM 247 CB ASP A 57 -10.737 3.248 -10.014 1.00 1.30 C ATOM 248 CG ASP A 57 -9.395 3.878 -10.320 1.00 1.61 C ATOM 249 OD1 ASP A 57 -9.193 5.059 -9.962 1.00 1.67 O ATOM 250 OD2 ASP A 57 -8.528 3.194 -10.901 1.00 2.15 O ATOM 0 H ASP A 57 -9.267 1.411 -9.222 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.681 3.472 -7.884 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -10.934 2.459 -10.739 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -11.519 3.997 -10.137 1.00 1.30 H new ATOM 255 N GLU A 58 -12.349 0.872 -9.050 1.00 1.09 N ATOM 256 CA GLU A 58 -13.584 0.119 -8.967 1.00 1.05 C ATOM 257 C GLU A 58 -13.849 -0.329 -7.541 1.00 0.93 C ATOM 258 O GLU A 58 -14.997 -0.364 -7.103 1.00 0.93 O ATOM 259 CB GLU A 58 -13.510 -1.093 -9.886 1.00 1.12 C ATOM 260 CG GLU A 58 -13.423 -0.739 -11.346 1.00 1.26 C ATOM 261 CD GLU A 58 -14.575 0.130 -11.806 1.00 1.83 C ATOM 262 OE1 GLU A 58 -14.457 1.372 -11.732 1.00 2.17 O ATOM 263 OE2 GLU A 58 -15.602 -0.425 -12.254 1.00 2.54 O ATOM 0 H GLU A 58 -11.637 0.441 -9.640 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.404 0.764 -9.282 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -12.641 -1.692 -9.614 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -14.390 -1.716 -9.724 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -12.483 -0.219 -11.534 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -13.405 -1.655 -11.937 1.00 1.26 H new ATOM 270 N VAL A 59 -12.778 -0.664 -6.826 1.00 0.86 N ATOM 271 CA VAL A 59 -12.890 -1.066 -5.423 1.00 0.75 C ATOM 272 C VAL A 59 -13.611 0.007 -4.636 1.00 0.71 C ATOM 273 O VAL A 59 -14.697 -0.213 -4.095 1.00 0.71 O ATOM 274 CB VAL A 59 -11.506 -1.275 -4.769 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.646 -1.587 -3.283 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.737 -2.377 -5.476 1.00 0.82 C ATOM 0 H VAL A 59 -11.826 -0.666 -7.191 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.440 -2.007 -5.406 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.944 -0.346 -4.869 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.657 -1.730 -2.846 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.147 -0.758 -2.783 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.233 -2.496 -3.156 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.766 -2.507 -4.999 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.299 -3.309 -5.415 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.594 -2.107 -6.522 1.00 0.82 H new ATOM 286 N SER A 60 -12.992 1.171 -4.612 1.00 0.70 N ATOM 287 CA SER A 60 -13.475 2.303 -3.892 1.00 0.70 C ATOM 288 C SER A 60 -14.854 2.744 -4.374 1.00 0.74 C ATOM 289 O SER A 60 -15.813 2.801 -3.603 1.00 0.72 O ATOM 290 CB SER A 60 -12.473 3.409 -4.110 1.00 0.76 C ATOM 291 OG SER A 60 -11.196 3.072 -3.589 1.00 0.97 O ATOM 0 H SER A 60 -12.119 1.346 -5.109 1.00 0.70 H new ATOM 0 HA SER A 60 -13.584 2.053 -2.837 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.387 3.617 -5.176 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.830 4.322 -3.635 1.00 0.76 H new ATOM 0 HG SER A 60 -10.572 3.810 -3.749 1.00 0.97 H new ATOM 297 N LYS A 61 -14.928 3.060 -5.652 1.00 0.87 N ATOM 298 CA LYS A 61 -16.161 3.521 -6.281 1.00 0.96 C ATOM 299 C LYS A 61 -17.360 2.629 -5.945 1.00 0.94 C ATOM 300 O LYS A 61 -18.434 3.127 -5.611 1.00 1.01 O ATOM 301 CB LYS A 61 -15.980 3.595 -7.796 1.00 1.10 C ATOM 302 CG LYS A 61 -15.135 4.772 -8.259 1.00 1.17 C ATOM 303 CD LYS A 61 -14.687 4.630 -9.711 1.00 1.36 C ATOM 304 CE LYS A 61 -15.854 4.447 -10.675 1.00 2.01 C ATOM 305 NZ LYS A 61 -16.293 3.028 -10.776 1.00 2.54 N ATOM 0 H LYS A 61 -14.134 3.006 -6.290 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.372 4.513 -5.883 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.518 2.670 -8.142 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -16.961 3.657 -8.267 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.707 5.693 -8.146 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.258 4.861 -7.618 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.119 5.515 -9.999 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.014 3.777 -9.797 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -16.693 5.061 -10.346 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -15.565 4.806 -11.663 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -16.786 2.881 -11.680 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -15.463 2.404 -10.729 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -16.937 2.807 -9.990 1.00 2.54 H new ATOM 319 N ARG A 62 -17.174 1.316 -6.031 1.00 0.88 N ATOM 320 CA ARG A 62 -18.252 0.376 -5.754 1.00 0.89 C ATOM 321 C ARG A 62 -18.668 0.401 -4.288 1.00 0.77 C ATOM 322 O ARG A 62 -19.856 0.372 -3.978 1.00 0.82 O ATOM 323 CB ARG A 62 -17.852 -1.047 -6.145 1.00 0.93 C ATOM 324 CG ARG A 62 -18.102 -1.377 -7.604 1.00 1.21 C ATOM 325 CD ARG A 62 -17.780 -2.828 -7.908 1.00 1.21 C ATOM 326 NE ARG A 62 -18.289 -3.730 -6.875 1.00 1.85 N ATOM 327 CZ ARG A 62 -18.536 -5.027 -7.057 1.00 2.40 C ATOM 328 NH1 ARG A 62 -18.398 -5.585 -8.254 1.00 2.53 N ATOM 329 NH2 ARG A 62 -18.930 -5.763 -6.029 1.00 3.33 N ATOM 0 H ARG A 62 -16.289 0.880 -6.290 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.104 0.690 -6.357 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.794 -1.189 -5.927 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.403 -1.753 -5.523 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -19.144 -1.175 -7.851 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.494 -0.728 -8.234 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -18.210 -3.101 -8.872 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -16.700 -2.949 -7.995 1.00 1.21 H new ATOM 0 HE ARG A 62 -18.467 -3.339 -5.950 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -18.099 -5.020 -9.049 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -18.590 -6.579 -8.379 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -19.042 -5.336 -5.109 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -19.122 -6.757 -6.157 1.00 3.33 H new ATOM 343 N GLU A 63 -17.694 0.461 -3.392 1.00 0.68 N ATOM 344 CA GLU A 63 -17.979 0.383 -1.963 1.00 0.63 C ATOM 345 C GLU A 63 -18.477 1.712 -1.411 1.00 0.66 C ATOM 346 O GLU A 63 -19.111 1.756 -0.356 1.00 0.73 O ATOM 347 CB GLU A 63 -16.744 -0.076 -1.198 1.00 0.59 C ATOM 348 CG GLU A 63 -15.546 0.841 -1.337 1.00 0.58 C ATOM 349 CD GLU A 63 -14.355 0.317 -0.586 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.285 0.584 0.627 1.00 1.25 O ATOM 351 OE2 GLU A 63 -13.527 -0.376 -1.165 1.00 1.21 O ATOM 0 H GLU A 63 -16.706 0.563 -3.624 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.775 -0.350 -1.829 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.998 -0.165 -0.142 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.466 -1.072 -1.544 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.292 0.951 -2.391 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.802 1.833 -0.966 1.00 0.58 H new ATOM 358 N GLY A 64 -18.176 2.791 -2.112 1.00 0.69 N ATOM 359 CA GLY A 64 -18.682 4.091 -1.719 1.00 0.74 C ATOM 360 C GLY A 64 -17.586 5.120 -1.553 1.00 0.72 C ATOM 361 O GLY A 64 -17.606 6.165 -2.207 1.00 0.86 O ATOM 0 H GLY A 64 -17.590 2.792 -2.947 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.392 4.441 -2.468 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.229 3.995 -0.781 1.00 0.74 H new ATOM 365 N ILE A 65 -16.624 4.827 -0.685 1.00 0.62 N ATOM 366 CA ILE A 65 -15.546 5.767 -0.395 1.00 0.67 C ATOM 367 C ILE A 65 -14.579 5.861 -1.564 1.00 0.81 C ATOM 368 O ILE A 65 -14.240 4.858 -2.177 1.00 1.76 O ATOM 369 CB ILE A 65 -14.763 5.380 0.880 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.147 3.987 0.758 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.666 5.441 2.090 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.373 3.569 1.989 1.00 0.49 C ATOM 0 H ILE A 65 -16.568 3.948 -0.171 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.016 6.736 -0.229 1.00 0.67 H new ATOM 0 HB ILE A 65 -13.952 6.098 1.000 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -14.939 3.262 0.571 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.483 3.965 -0.106 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.100 5.166 2.980 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.053 6.454 2.204 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.497 4.748 1.959 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -12.961 2.571 1.838 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.561 4.274 2.165 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.039 3.560 2.852 1.00 0.49 H new ATOM 384 N ASN A 66 -14.143 7.069 -1.873 1.00 0.75 N ATOM 385 CA ASN A 66 -13.224 7.278 -2.982 1.00 0.69 C ATOM 386 C ASN A 66 -11.860 7.723 -2.459 1.00 0.61 C ATOM 387 O ASN A 66 -10.991 8.144 -3.222 1.00 0.64 O ATOM 388 CB ASN A 66 -13.790 8.323 -3.948 1.00 0.83 C ATOM 389 CG ASN A 66 -13.169 8.237 -5.332 1.00 1.38 C ATOM 390 OD1 ASN A 66 -12.193 8.925 -5.640 1.00 2.09 O ATOM 391 ND2 ASN A 66 -13.732 7.388 -6.176 1.00 2.10 N ATOM 0 H ASN A 66 -14.408 7.919 -1.375 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.102 6.337 -3.519 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -14.869 8.191 -4.029 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -13.621 9.319 -3.539 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -13.360 7.285 -7.120 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -14.538 6.837 -5.883 1.00 2.10 H new ATOM 398 N ALA A 67 -11.678 7.617 -1.143 1.00 0.54 N ATOM 399 CA ALA A 67 -10.449 8.074 -0.489 1.00 0.49 C ATOM 400 C ALA A 67 -9.215 7.324 -0.990 1.00 0.44 C ATOM 401 O ALA A 67 -9.323 6.262 -1.608 1.00 0.45 O ATOM 402 CB ALA A 67 -10.574 7.915 1.016 1.00 0.47 C ATOM 0 H ALA A 67 -12.367 7.218 -0.506 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.317 9.126 -0.741 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -9.657 8.257 1.495 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.414 8.508 1.376 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -10.741 6.865 1.258 1.00 0.47 H new ATOM 408 N GLU A 68 -8.043 7.887 -0.707 1.00 0.44 N ATOM 409 CA GLU A 68 -6.775 7.293 -1.122 1.00 0.42 C ATOM 410 C GLU A 68 -6.536 5.988 -0.383 1.00 0.34 C ATOM 411 O GLU A 68 -6.635 5.939 0.843 1.00 0.35 O ATOM 412 CB GLU A 68 -5.607 8.235 -0.819 1.00 0.50 C ATOM 413 CG GLU A 68 -5.709 9.604 -1.467 1.00 0.78 C ATOM 414 CD GLU A 68 -4.607 10.537 -1.005 1.00 1.79 C ATOM 415 OE1 GLU A 68 -4.602 10.925 0.183 1.00 2.59 O ATOM 416 OE2 GLU A 68 -3.726 10.879 -1.824 1.00 2.28 O ATOM 0 H GLU A 68 -7.945 8.760 -0.188 1.00 0.44 H new ATOM 0 HA GLU A 68 -6.833 7.113 -2.195 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.533 8.364 0.261 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -4.682 7.761 -1.147 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -5.662 9.496 -2.551 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -6.678 10.044 -1.233 1.00 0.78 H new ATOM 423 N GLN A 69 -6.207 4.941 -1.123 1.00 0.31 N ATOM 424 CA GLN A 69 -5.910 3.654 -0.520 1.00 0.24 C ATOM 425 C GLN A 69 -4.487 3.645 0.017 1.00 0.21 C ATOM 426 O GLN A 69 -3.527 3.506 -0.738 1.00 0.27 O ATOM 427 CB GLN A 69 -6.108 2.513 -1.518 1.00 0.29 C ATOM 428 CG GLN A 69 -7.541 2.371 -1.997 1.00 0.43 C ATOM 429 CD GLN A 69 -7.835 0.990 -2.543 1.00 0.80 C ATOM 430 OE1 GLN A 69 -7.242 0.002 -2.112 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.762 0.909 -3.485 1.00 0.76 N ATOM 0 H GLN A 69 -6.139 4.958 -2.141 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.605 3.499 0.306 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.460 2.677 -2.379 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.793 1.577 -1.056 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -8.220 2.584 -1.171 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.738 3.114 -2.770 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.230 1.754 -3.814 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.008 0.002 -3.881 1.00 0.76 H new ATOM 440 N ILE A 70 -4.368 3.813 1.325 1.00 0.19 N ATOM 441 CA ILE A 70 -3.073 3.894 1.982 1.00 0.17 C ATOM 442 C ILE A 70 -2.627 2.519 2.462 1.00 0.14 C ATOM 443 O ILE A 70 -3.106 2.030 3.481 1.00 0.14 O ATOM 444 CB ILE A 70 -3.141 4.848 3.187 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.809 6.161 2.777 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.744 5.107 3.739 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.182 7.040 3.946 1.00 0.36 C ATOM 0 H ILE A 70 -5.163 3.897 1.959 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.353 4.273 1.257 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.738 4.383 3.972 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.136 6.711 2.119 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.706 5.938 2.200 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -1.809 5.784 4.591 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.298 4.165 4.057 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.124 5.558 2.964 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.651 7.953 3.580 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.880 6.508 4.593 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.285 7.294 4.511 1.00 0.36 H new ATOM 459 N VAL A 71 -1.727 1.891 1.722 1.00 0.15 N ATOM 460 CA VAL A 71 -1.234 0.570 2.086 1.00 0.15 C ATOM 461 C VAL A 71 -0.477 0.625 3.415 1.00 0.14 C ATOM 462 O VAL A 71 0.610 1.194 3.497 1.00 0.17 O ATOM 463 CB VAL A 71 -0.316 -0.024 0.992 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.199 -1.388 1.410 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.035 -0.122 -0.345 1.00 0.20 C ATOM 0 H VAL A 71 -1.323 2.273 0.867 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.104 -0.079 2.189 1.00 0.15 H new ATOM 0 HB VAL A 71 0.531 0.652 0.871 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.843 -1.789 0.627 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.768 -1.294 2.335 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.643 -2.062 1.568 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.361 -0.543 -1.091 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.909 -0.765 -0.242 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.351 0.872 -0.662 1.00 0.20 H new ATOM 475 N ILE A 72 -1.076 0.044 4.451 1.00 0.14 N ATOM 476 CA ILE A 72 -0.488 0.030 5.789 1.00 0.17 C ATOM 477 C ILE A 72 0.128 -1.322 6.103 1.00 0.22 C ATOM 478 O ILE A 72 0.884 -1.474 7.064 1.00 0.29 O ATOM 479 CB ILE A 72 -1.541 0.324 6.860 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.790 -0.516 6.588 1.00 0.19 C ATOM 481 CG2 ILE A 72 -1.860 1.805 6.880 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.679 -0.708 7.788 1.00 0.21 C ATOM 0 H ILE A 72 -1.978 -0.428 4.388 1.00 0.14 H new ATOM 0 HA ILE A 72 0.280 0.803 5.799 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.155 0.055 7.843 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.367 -0.042 5.795 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.483 -1.494 6.217 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.610 2.005 7.645 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -0.955 2.369 7.103 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.245 2.107 5.906 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.541 -1.314 7.509 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.121 -1.212 8.577 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.020 0.263 8.148 1.00 0.21 H new ATOM 494 N LYS A 73 -0.230 -2.307 5.306 1.00 0.21 N ATOM 495 CA LYS A 73 0.335 -3.633 5.430 1.00 0.26 C ATOM 496 C LYS A 73 0.597 -4.212 4.057 1.00 0.24 C ATOM 497 O LYS A 73 -0.205 -4.036 3.146 1.00 0.25 O ATOM 498 CB LYS A 73 -0.606 -4.548 6.209 1.00 0.35 C ATOM 499 CG LYS A 73 -0.232 -6.021 6.112 1.00 0.41 C ATOM 500 CD LYS A 73 -1.081 -6.883 7.020 1.00 0.59 C ATOM 501 CE LYS A 73 -1.020 -6.413 8.468 1.00 1.22 C ATOM 502 NZ LYS A 73 0.349 -6.522 9.041 1.00 1.94 N ATOM 0 H LYS A 73 -0.917 -2.212 4.558 1.00 0.21 H new ATOM 0 HA LYS A 73 1.276 -3.559 5.975 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.607 -4.249 7.257 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.622 -4.413 5.838 1.00 0.35 H new ATOM 0 HG2 LYS A 73 -0.347 -6.357 5.082 1.00 0.41 H new ATOM 0 HG3 LYS A 73 0.819 -6.146 6.372 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -2.115 -6.865 6.676 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.743 -7.917 6.959 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -1.354 -5.377 8.526 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -1.711 -7.004 9.069 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 0.330 -6.239 10.042 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 0.680 -7.505 8.965 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 0.995 -5.898 8.517 1.00 1.94 H new ATOM 516 N ILE A 74 1.712 -4.904 3.917 1.00 0.28 N ATOM 517 CA ILE A 74 2.066 -5.527 2.655 1.00 0.31 C ATOM 518 C ILE A 74 2.436 -6.981 2.887 1.00 0.38 C ATOM 519 O ILE A 74 3.006 -7.331 3.923 1.00 0.41 O ATOM 520 CB ILE A 74 3.267 -4.860 1.957 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.256 -3.340 2.106 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.262 -5.236 0.485 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.573 -2.703 1.719 1.00 0.44 C ATOM 0 H ILE A 74 2.391 -5.049 4.665 1.00 0.28 H new ATOM 0 HA ILE A 74 1.190 -5.420 2.015 1.00 0.31 H new ATOM 0 HB ILE A 74 4.176 -5.222 2.438 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.461 -2.925 1.487 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.023 -3.083 3.139 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.110 -4.766 -0.013 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.337 -6.319 0.386 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.335 -4.893 0.025 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.506 -1.622 1.845 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.367 -3.094 2.355 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.796 -2.933 0.677 1.00 0.44 H new ATOM 535 N THR A 75 2.122 -7.817 1.924 1.00 0.45 N ATOM 536 CA THR A 75 2.477 -9.215 1.980 1.00 0.54 C ATOM 537 C THR A 75 2.948 -9.675 0.612 1.00 0.60 C ATOM 538 O THR A 75 2.953 -8.886 -0.335 1.00 0.71 O ATOM 539 CB THR A 75 1.288 -10.079 2.452 1.00 0.69 C ATOM 540 OG1 THR A 75 0.141 -9.810 1.635 1.00 0.79 O ATOM 541 CG2 THR A 75 0.949 -9.805 3.916 1.00 0.72 C ATOM 0 H THR A 75 1.614 -7.547 1.082 1.00 0.45 H new ATOM 0 HA THR A 75 3.283 -9.336 2.704 1.00 0.54 H new ATOM 0 HB THR A 75 1.573 -11.127 2.358 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.326 -9.044 1.053 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.108 -10.429 4.218 1.00 0.72 H new ATOM 0 HG22 THR A 75 1.813 -10.035 4.539 1.00 0.72 H new ATOM 0 HG23 THR A 75 0.684 -8.755 4.038 1.00 0.72 H new ATOM 549 N ASP A 76 3.339 -10.927 0.496 1.00 0.70 N ATOM 550 CA ASP A 76 3.849 -11.432 -0.768 1.00 0.82 C ATOM 551 C ASP A 76 2.722 -11.567 -1.793 1.00 0.90 C ATOM 552 O ASP A 76 2.952 -11.471 -2.998 1.00 1.08 O ATOM 553 CB ASP A 76 4.549 -12.775 -0.558 1.00 1.00 C ATOM 554 CG ASP A 76 5.402 -13.176 -1.744 1.00 1.46 C ATOM 555 OD1 ASP A 76 6.572 -12.745 -1.818 1.00 2.15 O ATOM 556 OD2 ASP A 76 4.902 -13.921 -2.614 1.00 2.01 O ATOM 0 H ASP A 76 3.315 -11.611 1.252 1.00 0.70 H new ATOM 0 HA ASP A 76 4.575 -10.718 -1.156 1.00 0.82 H new ATOM 0 HB2 ASP A 76 5.174 -12.720 0.333 1.00 1.00 H new ATOM 0 HB3 ASP A 76 3.801 -13.546 -0.375 1.00 1.00 H new ATOM 561 N GLN A 77 1.496 -11.761 -1.308 1.00 0.94 N ATOM 562 CA GLN A 77 0.350 -11.975 -2.191 1.00 1.14 C ATOM 563 C GLN A 77 -0.414 -10.677 -2.456 1.00 1.11 C ATOM 564 O GLN A 77 -1.088 -10.546 -3.477 1.00 1.49 O ATOM 565 CB GLN A 77 -0.619 -13.015 -1.612 1.00 1.36 C ATOM 566 CG GLN A 77 0.034 -14.312 -1.170 1.00 1.89 C ATOM 567 CD GLN A 77 0.549 -14.255 0.254 1.00 2.52 C ATOM 568 OE1 GLN A 77 1.691 -13.876 0.502 1.00 2.98 O ATOM 569 NE2 GLN A 77 -0.291 -14.634 1.200 1.00 3.19 N ATOM 0 H GLN A 77 1.271 -11.774 -0.313 1.00 0.94 H new ATOM 0 HA GLN A 77 0.755 -12.345 -3.133 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -1.136 -12.575 -0.759 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.377 -13.242 -2.361 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -0.687 -15.125 -1.259 1.00 1.89 H new ATOM 0 HG3 GLN A 77 0.861 -14.544 -1.841 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -1.231 -14.942 0.953 1.00 3.19 H new ATOM 0 HE22 GLN A 77 0.001 -14.618 2.177 1.00 3.19 H new ATOM 578 N GLY A 78 -0.323 -9.728 -1.536 1.00 0.78 N ATOM 579 CA GLY A 78 -1.057 -8.485 -1.688 1.00 0.78 C ATOM 580 C GLY A 78 -0.782 -7.517 -0.559 1.00 0.72 C ATOM 581 O GLY A 78 0.309 -7.516 0.006 1.00 0.99 O ATOM 0 H GLY A 78 0.243 -9.794 -0.690 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.788 -8.020 -2.636 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.125 -8.699 -1.729 1.00 0.78 H new ATOM 585 N TYR A 79 -1.771 -6.706 -0.209 1.00 0.43 N ATOM 586 CA TYR A 79 -1.603 -5.713 0.844 1.00 0.36 C ATOM 587 C TYR A 79 -2.919 -5.398 1.525 1.00 0.28 C ATOM 588 O TYR A 79 -3.966 -5.934 1.173 1.00 0.28 O ATOM 589 CB TYR A 79 -1.002 -4.416 0.294 1.00 0.40 C ATOM 590 CG TYR A 79 -1.757 -3.805 -0.865 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.006 -3.281 -0.655 1.00 1.23 C ATOM 592 CD2 TYR A 79 -1.232 -3.752 -2.149 1.00 2.36 C ATOM 593 CE1 TYR A 79 -3.733 -2.711 -1.679 1.00 1.86 C ATOM 594 CE2 TYR A 79 -1.949 -3.185 -3.186 1.00 3.09 C ATOM 595 CZ TYR A 79 -3.084 -2.706 -3.042 1.00 2.67 C ATOM 596 OH TYR A 79 -3.918 -2.094 -3.969 1.00 3.47 O ATOM 0 H TYR A 79 -2.696 -6.716 -0.638 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.919 -6.144 1.575 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -0.952 -3.685 1.101 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.022 -4.613 -0.022 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.431 -3.315 0.337 1.00 1.23 H new ATOM 0 HD2 TYR A 79 -0.250 -4.159 -2.340 1.00 2.36 H new ATOM 0 HE1 TYR A 79 -4.714 -2.291 -1.515 1.00 1.86 H new ATOM 0 HE2 TYR A 79 -1.500 -3.158 -4.168 1.00 3.09 H new ATOM 0 HH TYR A 79 -4.838 -2.403 -3.835 1.00 3.47 H new ATOM 606 N VAL A 80 -2.852 -4.521 2.508 1.00 0.29 N ATOM 607 CA VAL A 80 -4.040 -4.015 3.156 1.00 0.27 C ATOM 608 C VAL A 80 -3.951 -2.498 3.255 1.00 0.21 C ATOM 609 O VAL A 80 -2.964 -1.959 3.764 1.00 0.19 O ATOM 610 CB VAL A 80 -4.239 -4.627 4.566 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.526 -4.127 5.209 1.00 0.28 C ATOM 612 CG2 VAL A 80 -4.227 -6.149 4.501 1.00 0.40 C ATOM 0 H VAL A 80 -1.979 -4.143 2.875 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.902 -4.303 2.553 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.406 -4.303 5.189 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.637 -4.574 6.197 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.487 -3.042 5.304 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.376 -4.406 4.587 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -4.368 -6.557 5.502 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -5.033 -6.492 3.852 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -3.271 -6.489 4.102 1.00 0.40 H new ATOM 622 N THR A 81 -4.965 -1.817 2.752 1.00 0.22 N ATOM 623 CA THR A 81 -4.963 -0.366 2.699 1.00 0.22 C ATOM 624 C THR A 81 -5.880 0.229 3.763 1.00 0.22 C ATOM 625 O THR A 81 -6.987 -0.250 3.975 1.00 0.35 O ATOM 626 CB THR A 81 -5.418 0.129 1.310 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.627 -0.541 0.923 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.349 -0.119 0.260 1.00 0.40 C ATOM 0 H THR A 81 -5.807 -2.250 2.372 1.00 0.22 H new ATOM 0 HA THR A 81 -3.941 -0.037 2.888 1.00 0.22 H new ATOM 0 HB THR A 81 -5.595 1.202 1.379 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.810 -0.365 -0.023 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.699 0.240 -0.708 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.438 0.412 0.536 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.142 -1.187 0.197 1.00 0.40 H new ATOM 636 N SER A 82 -5.415 1.260 4.443 1.00 0.19 N ATOM 637 CA SER A 82 -6.259 1.997 5.364 1.00 0.20 C ATOM 638 C SER A 82 -6.843 3.198 4.638 1.00 0.24 C ATOM 639 O SER A 82 -6.231 4.267 4.591 1.00 0.29 O ATOM 640 CB SER A 82 -5.458 2.449 6.587 1.00 0.25 C ATOM 641 OG SER A 82 -4.372 3.277 6.216 1.00 1.19 O ATOM 0 H SER A 82 -4.458 1.606 4.375 1.00 0.19 H new ATOM 0 HA SER A 82 -7.065 1.352 5.714 1.00 0.20 H new ATOM 0 HB2 SER A 82 -6.111 2.989 7.272 1.00 0.25 H new ATOM 0 HB3 SER A 82 -5.085 1.576 7.123 1.00 0.25 H new ATOM 0 HG SER A 82 -4.710 4.070 5.749 1.00 1.19 H new ATOM 647 N HIS A 83 -8.008 3.020 4.046 1.00 0.24 N ATOM 648 CA HIS A 83 -8.581 4.070 3.236 1.00 0.30 C ATOM 649 C HIS A 83 -9.996 4.404 3.691 1.00 0.29 C ATOM 650 O HIS A 83 -10.678 3.577 4.303 1.00 0.27 O ATOM 651 CB HIS A 83 -8.525 3.690 1.741 1.00 0.33 C ATOM 652 CG HIS A 83 -9.564 2.714 1.283 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.021 2.630 -0.030 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.284 1.812 1.990 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.995 1.706 -0.062 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.172 1.219 1.131 1.00 0.33 N ATOM 0 H HIS A 83 -8.568 2.170 4.110 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.986 4.974 3.367 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.621 4.600 1.149 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.541 3.273 1.527 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.178 1.598 3.043 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.547 1.412 -0.943 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.860 0.511 1.386 1.00 0.33 H new ATOM 664 N GLY A 84 -10.419 5.628 3.413 1.00 0.35 N ATOM 665 CA GLY A 84 -11.740 6.066 3.805 1.00 0.36 C ATOM 666 C GLY A 84 -11.880 6.174 5.306 1.00 0.36 C ATOM 667 O GLY A 84 -11.555 7.201 5.891 1.00 0.42 O ATOM 0 H GLY A 84 -9.866 6.329 2.920 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.950 7.034 3.351 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.482 5.366 3.421 1.00 0.36 H new ATOM 671 N ASP A 85 -12.360 5.107 5.923 1.00 0.33 N ATOM 672 CA ASP A 85 -12.564 5.071 7.366 1.00 0.36 C ATOM 673 C ASP A 85 -12.002 3.795 7.969 1.00 0.33 C ATOM 674 O ASP A 85 -11.931 3.656 9.191 1.00 0.38 O ATOM 675 CB ASP A 85 -14.059 5.147 7.690 1.00 0.42 C ATOM 676 CG ASP A 85 -14.585 6.561 7.779 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.910 7.138 6.723 1.00 1.59 O ATOM 678 OD2 ASP A 85 -14.655 7.112 8.896 1.00 0.85 O ATOM 0 H ASP A 85 -12.619 4.245 5.443 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.042 5.928 7.793 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.617 4.608 6.924 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.244 4.639 8.636 1.00 0.42 H new ATOM 683 N HIS A 86 -11.590 2.868 7.121 1.00 0.29 N ATOM 684 CA HIS A 86 -11.312 1.514 7.573 1.00 0.27 C ATOM 685 C HIS A 86 -10.066 0.929 6.939 1.00 0.23 C ATOM 686 O HIS A 86 -9.405 1.562 6.117 1.00 0.21 O ATOM 687 CB HIS A 86 -12.508 0.610 7.263 1.00 0.29 C ATOM 688 CG HIS A 86 -12.932 0.618 5.820 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.220 0.923 5.397 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.226 0.313 4.692 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.261 0.787 4.062 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.093 0.415 3.616 1.00 0.28 N ATOM 0 H HIS A 86 -11.441 3.025 6.124 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.139 1.566 8.648 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.261 -0.412 7.551 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.352 0.920 7.879 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -14.998 1.201 5.996 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.182 0.042 4.647 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.132 0.960 3.448 1.00 0.30 H new ATOM 700 N TYR A 87 -9.757 -0.290 7.345 1.00 0.24 N ATOM 701 CA TYR A 87 -8.696 -1.054 6.726 1.00 0.22 C ATOM 702 C TYR A 87 -9.324 -2.011 5.730 1.00 0.22 C ATOM 703 O TYR A 87 -10.255 -2.743 6.073 1.00 0.26 O ATOM 704 CB TYR A 87 -7.908 -1.841 7.776 1.00 0.25 C ATOM 705 CG TYR A 87 -7.394 -0.996 8.915 1.00 0.29 C ATOM 706 CD1 TYR A 87 -6.911 0.277 8.683 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.390 -1.470 10.218 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.435 1.060 9.707 1.00 0.32 C ATOM 709 CE2 TYR A 87 -6.916 -0.694 11.256 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.439 0.573 10.996 1.00 0.40 C ATOM 711 OH TYR A 87 -5.958 1.347 12.027 1.00 0.46 O ATOM 0 H TYR A 87 -10.232 -0.773 8.108 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.003 -0.378 6.225 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.545 -2.628 8.179 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.064 -2.331 7.291 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.907 0.665 7.675 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -7.764 -2.462 10.424 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.060 2.052 9.503 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -6.919 -1.077 12.266 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.035 0.853 12.870 1.00 0.46 H new ATOM 721 N HIS A 88 -8.827 -2.013 4.514 1.00 0.21 N ATOM 722 CA HIS A 88 -9.410 -2.821 3.469 1.00 0.25 C ATOM 723 C HIS A 88 -8.374 -3.793 2.916 1.00 0.26 C ATOM 724 O HIS A 88 -7.267 -3.398 2.548 1.00 0.28 O ATOM 725 CB HIS A 88 -9.977 -1.924 2.363 1.00 0.29 C ATOM 726 CG HIS A 88 -11.125 -2.549 1.642 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.287 -1.881 1.369 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.257 -3.812 1.166 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.097 -2.710 0.761 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.518 -3.912 0.606 1.00 0.51 N ATOM 0 H HIS A 88 -8.019 -1.463 4.225 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.231 -3.405 3.884 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.299 -0.978 2.798 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.187 -1.693 1.648 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.515 -4.595 1.215 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.094 -2.462 0.429 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.927 -4.735 0.163 1.00 0.51 H new ATOM 738 N TYR A 89 -8.740 -5.066 2.870 1.00 0.28 N ATOM 739 CA TYR A 89 -7.823 -6.114 2.454 1.00 0.31 C ATOM 740 C TYR A 89 -7.850 -6.266 0.934 1.00 0.36 C ATOM 741 O TYR A 89 -8.918 -6.363 0.331 1.00 0.44 O ATOM 742 CB TYR A 89 -8.211 -7.433 3.123 1.00 0.45 C ATOM 743 CG TYR A 89 -7.036 -8.294 3.516 1.00 0.45 C ATOM 744 CD1 TYR A 89 -6.113 -8.717 2.573 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.859 -8.698 4.833 1.00 0.59 C ATOM 746 CE1 TYR A 89 -5.049 -9.513 2.924 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.792 -9.493 5.196 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.890 -9.901 4.236 1.00 0.53 C ATOM 749 OH TYR A 89 -3.825 -10.696 4.591 1.00 0.60 O ATOM 0 H TYR A 89 -9.672 -5.398 3.118 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.812 -5.844 2.758 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.803 -7.216 4.013 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.851 -7.998 2.445 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -6.232 -8.415 1.543 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -7.568 -8.385 5.585 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -4.341 -9.833 2.174 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -5.664 -9.794 6.225 1.00 0.62 H new ATOM 0 HH TYR A 89 -3.859 -10.878 5.553 1.00 0.60 H new ATOM 759 N TYR A 90 -6.673 -6.308 0.329 1.00 0.45 N ATOM 760 CA TYR A 90 -6.547 -6.281 -1.121 1.00 0.69 C ATOM 761 C TYR A 90 -5.497 -7.301 -1.563 1.00 0.55 C ATOM 762 O TYR A 90 -4.638 -7.703 -0.781 1.00 0.47 O ATOM 763 CB TYR A 90 -6.157 -4.859 -1.518 1.00 1.04 C ATOM 764 CG TYR A 90 -6.440 -4.419 -2.940 1.00 0.95 C ATOM 765 CD1 TYR A 90 -6.037 -5.154 -4.042 1.00 1.70 C ATOM 766 CD2 TYR A 90 -7.095 -3.215 -3.163 1.00 1.32 C ATOM 767 CE1 TYR A 90 -6.282 -4.707 -5.324 1.00 2.40 C ATOM 768 CE2 TYR A 90 -7.346 -2.763 -4.438 1.00 2.07 C ATOM 769 CZ TYR A 90 -6.937 -3.514 -5.517 1.00 2.47 C ATOM 770 OH TYR A 90 -7.178 -3.068 -6.792 1.00 3.42 O ATOM 0 H TYR A 90 -5.783 -6.361 0.825 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.483 -6.550 -1.610 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.671 -4.171 -0.846 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -5.088 -4.742 -1.338 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -5.523 -6.092 -3.896 1.00 1.70 H new ATOM 0 HD2 TYR A 90 -7.414 -2.622 -2.319 1.00 1.32 H new ATOM 0 HE1 TYR A 90 -5.960 -5.292 -6.173 1.00 2.40 H new ATOM 0 HE2 TYR A 90 -7.860 -1.826 -4.591 1.00 2.07 H new ATOM 0 HH TYR A 90 -8.059 -3.380 -7.087 1.00 3.42 H new ATOM 780 N ASN A 91 -5.575 -7.720 -2.809 1.00 0.67 N ATOM 781 CA ASN A 91 -4.695 -8.768 -3.319 1.00 0.59 C ATOM 782 C ASN A 91 -4.062 -8.354 -4.640 1.00 0.49 C ATOM 783 O ASN A 91 -4.633 -7.566 -5.393 1.00 0.69 O ATOM 784 CB ASN A 91 -5.484 -10.061 -3.514 1.00 0.85 C ATOM 785 CG ASN A 91 -4.592 -11.281 -3.656 1.00 1.27 C ATOM 786 OD1 ASN A 91 -4.185 -11.884 -2.662 1.00 1.58 O ATOM 787 ND2 ASN A 91 -4.309 -11.674 -4.888 1.00 2.04 N ATOM 0 H ASN A 91 -6.237 -7.355 -3.493 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.901 -8.929 -2.590 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -6.154 -10.203 -2.666 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.109 -9.969 -4.402 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.735 -12.503 -5.040 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -4.665 -11.147 -5.686 1.00 2.04 H new ATOM 794 N GLY A 92 -2.886 -8.892 -4.916 1.00 0.40 N ATOM 795 CA GLY A 92 -2.204 -8.588 -6.153 1.00 0.41 C ATOM 796 C GLY A 92 -1.089 -7.586 -5.956 1.00 0.33 C ATOM 797 O GLY A 92 -0.622 -7.379 -4.835 1.00 0.47 O ATOM 0 H GLY A 92 -2.390 -9.537 -4.301 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.796 -9.506 -6.576 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.920 -8.195 -6.875 1.00 0.41 H new ATOM 801 N LYS A 93 -0.656 -6.973 -7.044 1.00 0.40 N ATOM 802 CA LYS A 93 0.388 -5.964 -6.985 1.00 0.35 C ATOM 803 C LYS A 93 -0.197 -4.614 -6.608 1.00 0.35 C ATOM 804 O LYS A 93 -1.408 -4.397 -6.698 1.00 0.47 O ATOM 805 CB LYS A 93 1.103 -5.851 -8.330 1.00 0.36 C ATOM 806 CG LYS A 93 1.842 -7.103 -8.765 1.00 0.39 C ATOM 807 CD LYS A 93 3.022 -7.394 -7.860 1.00 0.63 C ATOM 808 CE LYS A 93 2.588 -8.109 -6.599 1.00 1.42 C ATOM 809 NZ LYS A 93 2.330 -9.553 -6.839 1.00 2.03 N ATOM 0 H LYS A 93 -1.012 -7.157 -7.982 1.00 0.40 H new ATOM 0 HA LYS A 93 1.107 -6.268 -6.224 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.370 -5.595 -9.095 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.813 -5.026 -8.280 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.158 -7.952 -8.757 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.190 -6.983 -9.791 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.750 -8.005 -8.394 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.520 -6.461 -7.598 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.359 -8.000 -5.837 1.00 1.42 H new ATOM 0 HE3 LYS A 93 1.685 -7.639 -6.208 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 2.118 -10.023 -5.936 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 1.520 -9.659 -7.483 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.171 -9.990 -7.267 1.00 2.03 H new ATOM 823 N VAL A 94 0.673 -3.718 -6.184 1.00 0.31 N ATOM 824 CA VAL A 94 0.276 -2.370 -5.831 1.00 0.29 C ATOM 825 C VAL A 94 0.205 -1.522 -7.091 1.00 0.28 C ATOM 826 O VAL A 94 1.128 -1.548 -7.901 1.00 0.30 O ATOM 827 CB VAL A 94 1.289 -1.730 -4.858 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.707 -0.483 -4.213 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.730 -2.731 -3.803 1.00 0.41 C ATOM 0 H VAL A 94 1.670 -3.903 -6.075 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.698 -2.416 -5.344 1.00 0.29 H new ATOM 0 HB VAL A 94 2.168 -1.433 -5.431 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.439 -0.050 -3.532 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.457 0.243 -4.986 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.193 -0.747 -3.658 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.444 -2.258 -3.128 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.862 -3.067 -3.235 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.201 -3.587 -4.287 1.00 0.41 H new ATOM 839 N PRO A 95 -0.886 -0.773 -7.293 1.00 0.27 N ATOM 840 CA PRO A 95 -1.004 0.101 -8.447 1.00 0.28 C ATOM 841 C PRO A 95 -0.031 1.255 -8.340 1.00 0.25 C ATOM 842 O PRO A 95 0.315 1.703 -7.245 1.00 0.27 O ATOM 843 CB PRO A 95 -2.439 0.603 -8.396 1.00 0.33 C ATOM 844 CG PRO A 95 -2.862 0.448 -6.985 1.00 0.33 C ATOM 845 CD PRO A 95 -2.064 -0.697 -6.414 1.00 0.30 C ATOM 0 HA PRO A 95 -0.776 -0.410 -9.382 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.502 1.644 -8.713 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -3.080 0.027 -9.064 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.679 1.364 -6.424 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.931 0.244 -6.922 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.780 -0.510 -5.379 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.633 -1.627 -6.425 1.00 0.30 H new ATOM 853 N TYR A 96 0.389 1.728 -9.500 1.00 0.26 N ATOM 854 CA TYR A 96 1.477 2.688 -9.614 1.00 0.27 C ATOM 855 C TYR A 96 1.180 3.952 -8.812 1.00 0.26 C ATOM 856 O TYR A 96 2.087 4.582 -8.286 1.00 0.30 O ATOM 857 CB TYR A 96 1.704 3.034 -11.092 1.00 0.33 C ATOM 858 CG TYR A 96 3.082 3.586 -11.416 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.556 4.740 -10.812 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.897 2.962 -12.352 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.791 5.259 -11.120 1.00 0.35 C ATOM 862 CE2 TYR A 96 5.143 3.471 -12.665 1.00 0.68 C ATOM 863 CZ TYR A 96 5.586 4.622 -12.048 1.00 0.51 C ATOM 864 OH TYR A 96 6.826 5.130 -12.361 1.00 0.59 O ATOM 0 H TYR A 96 -0.016 1.456 -10.396 1.00 0.26 H new ATOM 0 HA TYR A 96 2.382 2.239 -9.205 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.538 2.138 -11.689 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.955 3.764 -11.398 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.940 5.244 -10.082 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.551 2.064 -12.843 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.136 6.161 -10.637 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.767 2.970 -13.390 1.00 0.68 H new ATOM 0 HH TYR A 96 7.254 4.558 -13.032 1.00 0.59 H new ATOM 874 N ASP A 97 -0.091 4.307 -8.695 1.00 0.28 N ATOM 875 CA ASP A 97 -0.465 5.546 -8.024 1.00 0.33 C ATOM 876 C ASP A 97 -1.082 5.293 -6.645 1.00 0.32 C ATOM 877 O ASP A 97 -1.745 6.173 -6.087 1.00 0.38 O ATOM 878 CB ASP A 97 -1.432 6.355 -8.896 1.00 0.43 C ATOM 879 CG ASP A 97 -2.719 5.612 -9.196 1.00 1.07 C ATOM 880 OD1 ASP A 97 -2.701 4.713 -10.064 1.00 1.82 O ATOM 881 OD2 ASP A 97 -3.759 5.939 -8.585 1.00 1.07 O ATOM 0 H ASP A 97 -0.875 3.761 -9.052 1.00 0.28 H new ATOM 0 HA ASP A 97 0.449 6.119 -7.872 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.669 7.293 -8.393 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -0.939 6.612 -9.834 1.00 0.43 H new ATOM 886 N ALA A 98 -0.871 4.100 -6.093 1.00 0.27 N ATOM 887 CA ALA A 98 -1.341 3.795 -4.741 1.00 0.27 C ATOM 888 C ALA A 98 -0.580 4.604 -3.705 1.00 0.26 C ATOM 889 O ALA A 98 0.547 5.033 -3.942 1.00 0.40 O ATOM 890 CB ALA A 98 -1.197 2.317 -4.434 1.00 0.30 C ATOM 0 H ALA A 98 -0.382 3.334 -6.555 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.396 4.064 -4.696 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.554 2.119 -3.423 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.785 1.738 -5.146 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.148 2.030 -4.511 1.00 0.30 H new ATOM 896 N ILE A 99 -1.216 4.812 -2.565 1.00 0.18 N ATOM 897 CA ILE A 99 -0.634 5.570 -1.473 1.00 0.17 C ATOM 898 C ILE A 99 -0.105 4.616 -0.403 1.00 0.16 C ATOM 899 O ILE A 99 -0.735 3.601 -0.108 1.00 0.16 O ATOM 900 CB ILE A 99 -1.703 6.504 -0.872 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.313 7.370 -1.975 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.131 7.368 0.236 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.305 8.185 -2.754 1.00 0.29 C ATOM 0 H ILE A 99 -2.153 4.459 -2.371 1.00 0.18 H new ATOM 0 HA ILE A 99 0.196 6.170 -1.847 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.485 5.887 -0.429 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.856 6.727 -2.667 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.043 8.046 -1.529 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.914 8.013 0.635 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.745 6.731 1.032 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.323 7.982 -0.162 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.821 8.770 -3.516 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.778 8.856 -2.076 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.589 7.517 -3.232 1.00 0.29 H new ATOM 915 N ILE A 100 1.051 4.926 0.163 1.00 0.17 N ATOM 916 CA ILE A 100 1.670 4.056 1.154 1.00 0.18 C ATOM 917 C ILE A 100 1.715 4.725 2.527 1.00 0.18 C ATOM 918 O ILE A 100 1.562 5.942 2.653 1.00 0.20 O ATOM 919 CB ILE A 100 3.108 3.672 0.745 1.00 0.20 C ATOM 920 CG1 ILE A 100 3.128 3.111 -0.677 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.678 2.645 1.720 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.488 1.746 -0.797 1.00 0.23 C ATOM 0 H ILE A 100 1.580 5.773 -0.046 1.00 0.17 H new ATOM 0 HA ILE A 100 1.057 3.157 1.207 1.00 0.18 H new ATOM 0 HB ILE A 100 3.726 4.569 0.775 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.611 3.805 -1.340 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.161 3.051 -1.021 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.693 2.383 1.420 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.694 3.067 2.725 1.00 0.22 H new ATOM 0 HG23 ILE A 100 3.055 1.751 1.712 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.538 1.410 -1.833 1.00 0.23 H new ATOM 0 HD12 ILE A 100 3.019 1.038 -0.160 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.445 1.804 -0.485 1.00 0.23 H new ATOM 934 N SER A 101 1.908 3.903 3.543 1.00 0.20 N ATOM 935 CA SER A 101 2.068 4.356 4.898 1.00 0.20 C ATOM 936 C SER A 101 3.546 4.604 5.216 1.00 0.20 C ATOM 937 O SER A 101 4.450 4.013 4.617 1.00 0.23 O ATOM 938 CB SER A 101 1.498 3.290 5.823 1.00 0.22 C ATOM 939 OG SER A 101 2.484 2.350 6.221 1.00 0.89 O ATOM 0 H SER A 101 1.957 2.889 3.440 1.00 0.20 H new ATOM 0 HA SER A 101 1.539 5.299 5.039 1.00 0.20 H new ATOM 0 HB2 SER A 101 1.073 3.766 6.707 1.00 0.22 H new ATOM 0 HB3 SER A 101 0.684 2.770 5.319 1.00 0.22 H new ATOM 0 HG SER A 101 2.080 1.683 6.815 1.00 0.89 H new ATOM 945 N GLU A 102 3.761 5.482 6.174 1.00 0.20 N ATOM 946 CA GLU A 102 5.058 5.887 6.636 1.00 0.21 C ATOM 947 C GLU A 102 5.791 4.770 7.390 1.00 0.24 C ATOM 948 O GLU A 102 7.019 4.723 7.392 1.00 0.29 O ATOM 949 CB GLU A 102 4.854 7.122 7.516 1.00 0.25 C ATOM 950 CG GLU A 102 4.014 6.915 8.784 1.00 0.31 C ATOM 951 CD GLU A 102 2.844 5.961 8.631 1.00 0.94 C ATOM 952 OE1 GLU A 102 1.890 6.296 7.930 1.00 1.71 O ATOM 953 OE2 GLU A 102 2.906 4.852 9.183 1.00 1.22 O ATOM 0 H GLU A 102 3.000 5.948 6.668 1.00 0.20 H new ATOM 0 HA GLU A 102 5.698 6.119 5.784 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.833 7.499 7.811 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.381 7.898 6.914 1.00 0.25 H new ATOM 0 HG2 GLU A 102 4.665 6.544 9.576 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.634 7.883 9.111 1.00 0.31 H new ATOM 960 N GLU A 103 5.037 3.883 8.035 1.00 0.27 N ATOM 961 CA GLU A 103 5.619 2.741 8.731 1.00 0.34 C ATOM 962 C GLU A 103 6.242 1.756 7.747 1.00 0.31 C ATOM 963 O GLU A 103 7.202 1.057 8.077 1.00 0.41 O ATOM 964 CB GLU A 103 4.572 2.008 9.576 1.00 0.43 C ATOM 965 CG GLU A 103 4.133 2.740 10.835 1.00 0.67 C ATOM 966 CD GLU A 103 3.445 1.817 11.818 1.00 1.15 C ATOM 967 OE1 GLU A 103 4.136 1.213 12.667 1.00 1.48 O ATOM 968 OE2 GLU A 103 2.203 1.694 11.752 1.00 1.42 O ATOM 0 H GLU A 103 4.020 3.934 8.089 1.00 0.27 H new ATOM 0 HA GLU A 103 6.395 3.134 9.388 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.694 1.822 8.958 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.973 1.035 9.861 1.00 0.43 H new ATOM 0 HG2 GLU A 103 5.002 3.194 11.312 1.00 0.67 H new ATOM 0 HG3 GLU A 103 3.457 3.551 10.565 1.00 0.67 H new ATOM 975 N LEU A 104 5.696 1.699 6.543 1.00 0.23 N ATOM 976 CA LEU A 104 6.154 0.735 5.552 1.00 0.25 C ATOM 977 C LEU A 104 7.244 1.302 4.663 1.00 0.27 C ATOM 978 O LEU A 104 8.050 0.551 4.118 1.00 0.29 O ATOM 979 CB LEU A 104 4.997 0.263 4.683 1.00 0.27 C ATOM 980 CG LEU A 104 3.973 -0.613 5.385 1.00 0.28 C ATOM 981 CD1 LEU A 104 2.842 -0.948 4.435 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.631 -1.882 5.893 1.00 0.30 C ATOM 0 H LEU A 104 4.939 2.305 6.228 1.00 0.23 H new ATOM 0 HA LEU A 104 6.567 -0.108 6.106 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.487 1.138 4.279 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.403 -0.289 3.835 1.00 0.27 H new ATOM 0 HG LEU A 104 3.565 -0.069 6.237 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.112 -1.576 4.946 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.360 -0.028 4.104 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.238 -1.481 3.571 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.888 -2.502 6.394 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.056 -2.432 5.054 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.423 -1.625 6.597 1.00 0.30 H new ATOM 994 N LEU A 105 7.273 2.617 4.501 1.00 0.43 N ATOM 995 CA LEU A 105 8.229 3.224 3.611 1.00 0.54 C ATOM 996 C LEU A 105 9.659 2.968 4.089 1.00 0.46 C ATOM 997 O LEU A 105 9.926 2.822 5.287 1.00 0.53 O ATOM 998 CB LEU A 105 7.903 4.714 3.398 1.00 0.88 C ATOM 999 CG LEU A 105 8.139 5.663 4.567 1.00 0.30 C ATOM 1000 CD1 LEU A 105 9.612 5.825 4.781 1.00 1.01 C ATOM 1001 CD2 LEU A 105 7.512 7.011 4.285 1.00 1.09 C ATOM 0 H LEU A 105 6.649 3.271 4.973 1.00 0.43 H new ATOM 0 HA LEU A 105 8.155 2.755 2.630 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.493 5.069 2.553 1.00 0.88 H new ATOM 0 HB3 LEU A 105 6.855 4.790 3.110 1.00 0.88 H new ATOM 0 HG LEU A 105 7.680 5.247 5.464 1.00 0.30 H new ATOM 0 HD11 LEU A 105 9.786 6.503 5.616 1.00 1.01 H new ATOM 0 HD12 LEU A 105 10.056 4.855 5.003 1.00 1.01 H new ATOM 0 HD13 LEU A 105 10.068 6.235 3.880 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.689 7.678 5.129 1.00 1.09 H new ATOM 0 HD22 LEU A 105 7.956 7.438 3.386 1.00 1.09 H new ATOM 0 HD23 LEU A 105 6.439 6.889 4.137 1.00 1.09 H new ATOM 1013 N MET A 106 10.556 2.876 3.130 1.00 0.41 N ATOM 1014 CA MET A 106 11.951 2.601 3.382 1.00 0.45 C ATOM 1015 C MET A 106 12.810 3.829 3.139 1.00 0.92 C ATOM 1016 O MET A 106 12.947 4.294 2.005 1.00 1.28 O ATOM 1017 CB MET A 106 12.416 1.456 2.477 1.00 0.27 C ATOM 1018 CG MET A 106 13.928 1.388 2.274 1.00 0.30 C ATOM 1019 SD MET A 106 14.445 -0.066 1.376 1.00 1.05 S ATOM 1020 CE MET A 106 14.257 -1.315 2.637 1.00 0.50 C ATOM 0 H MET A 106 10.332 2.992 2.142 1.00 0.41 H new ATOM 0 HA MET A 106 12.060 2.316 4.428 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.076 0.512 2.902 1.00 0.27 H new ATOM 0 HB3 MET A 106 11.935 1.559 1.504 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.257 2.277 1.736 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.421 1.403 3.246 1.00 0.30 H new ATOM 0 HE1 MET A 106 15.240 -1.640 2.976 1.00 0.50 H new ATOM 0 HE2 MET A 106 13.701 -0.902 3.479 1.00 0.50 H new ATOM 0 HE3 MET A 106 13.714 -2.167 2.227 1.00 0.50 H new ATOM 1092 N TYR A 111 20.794 0.988 3.147 1.00 0.95 N ATOM 1093 CA TYR A 111 20.163 0.333 2.013 1.00 0.70 C ATOM 1094 C TYR A 111 19.983 1.292 0.852 1.00 0.60 C ATOM 1095 O TYR A 111 19.623 2.457 1.026 1.00 0.80 O ATOM 1096 CB TYR A 111 18.799 -0.261 2.380 1.00 0.70 C ATOM 1097 CG TYR A 111 18.226 -1.129 1.281 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.665 -2.433 1.087 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.250 -0.637 0.436 1.00 0.89 C ATOM 1100 CE1 TYR A 111 18.140 -3.216 0.075 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.719 -1.411 -0.575 1.00 1.12 C ATOM 1102 CZ TYR A 111 17.167 -2.698 -0.753 1.00 1.23 C ATOM 1103 OH TYR A 111 16.648 -3.467 -1.771 1.00 1.57 O ATOM 0 HA TYR A 111 20.831 -0.476 1.718 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.898 -0.852 3.290 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.102 0.548 2.599 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.427 -2.841 1.735 1.00 0.94 H new ATOM 0 HD2 TYR A 111 16.895 0.374 0.570 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.490 -4.228 -0.066 1.00 1.18 H new ATOM 0 HE2 TYR A 111 15.955 -1.008 -1.223 1.00 1.12 H new ATOM 0 HH TYR A 111 16.815 -4.414 -1.583 1.00 1.57 H new ATOM 1113 N GLN A 112 20.248 0.779 -0.329 1.00 0.53 N ATOM 1114 CA GLN A 112 19.979 1.468 -1.563 1.00 0.55 C ATOM 1115 C GLN A 112 19.140 0.557 -2.442 1.00 0.45 C ATOM 1116 O GLN A 112 19.342 -0.659 -2.437 1.00 0.47 O ATOM 1117 CB GLN A 112 21.294 1.826 -2.237 1.00 0.70 C ATOM 1118 CG GLN A 112 22.127 2.810 -1.439 1.00 1.30 C ATOM 1119 CD GLN A 112 23.492 3.058 -2.046 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.671 2.980 -3.261 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.465 3.368 -1.204 1.00 2.05 N ATOM 0 H GLN A 112 20.663 -0.144 -0.457 1.00 0.53 H new ATOM 0 HA GLN A 112 19.431 2.393 -1.383 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.872 0.916 -2.396 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.087 2.249 -3.220 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.591 3.756 -1.366 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.250 2.434 -0.423 1.00 1.30 H new ATOM 0 HE21 GLN A 112 24.275 3.422 -0.203 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.404 3.553 -1.556 1.00 2.05 H new ATOM 1130 N LEU A 113 18.201 1.149 -3.172 1.00 0.40 N ATOM 1131 CA LEU A 113 17.195 0.401 -3.915 1.00 0.33 C ATOM 1132 C LEU A 113 17.821 -0.674 -4.796 1.00 0.36 C ATOM 1133 O LEU A 113 18.477 -0.376 -5.798 1.00 0.43 O ATOM 1134 CB LEU A 113 16.368 1.368 -4.758 1.00 0.32 C ATOM 1135 CG LEU A 113 15.295 0.722 -5.636 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.172 0.163 -4.780 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.760 1.723 -6.641 1.00 0.35 C ATOM 0 H LEU A 113 18.116 2.161 -3.265 1.00 0.40 H new ATOM 0 HA LEU A 113 16.550 -0.109 -3.199 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.886 2.083 -4.092 1.00 0.32 H new ATOM 0 HB3 LEU A 113 17.044 1.935 -5.398 1.00 0.32 H new ATOM 0 HG LEU A 113 15.747 -0.104 -6.185 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.418 -0.293 -5.422 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.572 -0.589 -4.100 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.719 0.969 -4.203 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.998 1.247 -7.258 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.323 2.570 -6.113 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.574 2.072 -7.276 1.00 0.35 H new ATOM 1149 N LYS A 114 17.615 -1.925 -4.409 1.00 0.40 N ATOM 1150 CA LYS A 114 18.184 -3.051 -5.128 1.00 0.47 C ATOM 1151 C LYS A 114 17.164 -3.621 -6.092 1.00 0.37 C ATOM 1152 O LYS A 114 16.000 -3.811 -5.744 1.00 0.33 O ATOM 1153 CB LYS A 114 18.627 -4.139 -4.161 1.00 0.63 C ATOM 1154 CG LYS A 114 19.514 -5.191 -4.786 1.00 0.90 C ATOM 1155 CD LYS A 114 20.913 -4.661 -5.048 1.00 1.14 C ATOM 1156 CE LYS A 114 21.700 -4.494 -3.756 1.00 1.51 C ATOM 1157 NZ LYS A 114 21.847 -5.782 -3.029 1.00 2.09 N ATOM 0 H LYS A 114 17.055 -2.184 -3.597 1.00 0.40 H new ATOM 0 HA LYS A 114 19.053 -2.696 -5.683 1.00 0.47 H new ATOM 0 HB2 LYS A 114 19.159 -3.677 -3.329 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.743 -4.623 -3.745 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.570 -6.058 -4.128 1.00 0.90 H new ATOM 0 HG3 LYS A 114 19.072 -5.530 -5.723 1.00 0.90 H new ATOM 0 HD2 LYS A 114 21.443 -5.344 -5.712 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.849 -3.702 -5.562 1.00 1.14 H new ATOM 0 HE2 LYS A 114 22.687 -4.089 -3.981 1.00 1.51 H new ATOM 0 HE3 LYS A 114 21.197 -3.770 -3.115 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 22.664 -5.727 -2.387 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 20.985 -5.970 -2.477 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 21.995 -6.552 -3.713 1.00 2.09 H new ATOM 1171 N ASP A 115 17.624 -3.922 -7.295 1.00 0.40 N ATOM 1172 CA ASP A 115 16.755 -4.415 -8.361 1.00 0.41 C ATOM 1173 C ASP A 115 16.208 -5.785 -8.019 1.00 0.38 C ATOM 1174 O ASP A 115 15.193 -6.220 -8.560 1.00 0.42 O ATOM 1175 CB ASP A 115 17.520 -4.519 -9.678 1.00 0.53 C ATOM 1176 CG ASP A 115 18.016 -3.178 -10.180 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.217 -2.430 -10.784 1.00 1.11 O ATOM 1178 OD2 ASP A 115 19.206 -2.864 -9.982 1.00 1.88 O ATOM 0 H ASP A 115 18.604 -3.834 -7.564 1.00 0.40 H new ATOM 0 HA ASP A 115 15.934 -3.705 -8.465 1.00 0.41 H new ATOM 0 HB2 ASP A 115 18.370 -5.189 -9.547 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.874 -4.968 -10.433 1.00 0.53 H new ATOM 1183 N SER A 116 16.892 -6.457 -7.118 1.00 0.38 N ATOM 1184 CA SER A 116 16.579 -7.828 -6.788 1.00 0.44 C ATOM 1185 C SER A 116 15.522 -7.907 -5.689 1.00 0.40 C ATOM 1186 O SER A 116 14.932 -8.960 -5.455 1.00 0.51 O ATOM 1187 CB SER A 116 17.851 -8.525 -6.364 1.00 0.54 C ATOM 1188 OG SER A 116 18.962 -8.036 -7.101 1.00 0.92 O ATOM 0 H SER A 116 17.678 -6.069 -6.596 1.00 0.38 H new ATOM 0 HA SER A 116 16.163 -8.324 -7.665 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.019 -8.370 -5.298 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.751 -9.599 -6.518 1.00 0.54 H new ATOM 0 HG SER A 116 19.776 -8.498 -6.811 1.00 0.92 H new ATOM 1194 N ASP A 117 15.273 -6.783 -5.024 1.00 0.28 N ATOM 1195 CA ASP A 117 14.278 -6.737 -3.959 1.00 0.28 C ATOM 1196 C ASP A 117 13.004 -6.068 -4.449 1.00 0.22 C ATOM 1197 O ASP A 117 11.983 -6.060 -3.763 1.00 0.24 O ATOM 1198 CB ASP A 117 14.821 -5.999 -2.733 1.00 0.34 C ATOM 1199 CG ASP A 117 15.912 -6.771 -2.015 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.782 -8.007 -1.870 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.915 -6.152 -1.602 1.00 1.04 O ATOM 0 H ASP A 117 15.744 -5.896 -5.203 1.00 0.28 H new ATOM 0 HA ASP A 117 14.049 -7.762 -3.669 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.212 -5.030 -3.042 1.00 0.34 H new ATOM 0 HB3 ASP A 117 14.003 -5.806 -2.039 1.00 0.34 H new ATOM 1206 N ILE A 118 13.075 -5.508 -5.646 1.00 0.23 N ATOM 1207 CA ILE A 118 11.938 -4.835 -6.249 1.00 0.22 C ATOM 1208 C ILE A 118 10.875 -5.831 -6.685 1.00 0.26 C ATOM 1209 O ILE A 118 11.122 -6.694 -7.529 1.00 0.34 O ATOM 1210 CB ILE A 118 12.381 -4.001 -7.466 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.314 -2.879 -7.015 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.175 -3.434 -8.206 1.00 0.31 C ATOM 1213 CD1 ILE A 118 14.058 -2.219 -8.151 1.00 0.32 C ATOM 0 H ILE A 118 13.916 -5.507 -6.223 1.00 0.23 H new ATOM 0 HA ILE A 118 11.513 -4.175 -5.492 1.00 0.22 H new ATOM 0 HB ILE A 118 12.919 -4.651 -8.156 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.732 -2.124 -6.486 1.00 0.26 H new ATOM 0 HG13 ILE A 118 14.036 -3.281 -6.304 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.515 -2.849 -9.061 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.544 -4.252 -8.553 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.603 -2.795 -7.533 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.701 -1.432 -7.756 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.667 -2.961 -8.667 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.343 -1.786 -8.851 1.00 0.32 H new ATOM 1225 N VAL A 119 9.702 -5.722 -6.086 1.00 0.24 N ATOM 1226 CA VAL A 119 8.556 -6.484 -6.530 1.00 0.31 C ATOM 1227 C VAL A 119 7.721 -5.623 -7.474 1.00 0.27 C ATOM 1228 O VAL A 119 7.081 -6.124 -8.403 1.00 0.31 O ATOM 1229 CB VAL A 119 7.687 -6.949 -5.340 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.575 -7.856 -5.826 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.533 -7.645 -4.284 1.00 0.38 C ATOM 0 H VAL A 119 9.522 -5.111 -5.290 1.00 0.24 H new ATOM 0 HA VAL A 119 8.913 -7.375 -7.047 1.00 0.31 H new ATOM 0 HB VAL A 119 7.239 -6.069 -4.878 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.970 -8.177 -4.978 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.948 -7.315 -6.535 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.006 -8.730 -6.315 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.896 -7.962 -3.458 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.018 -8.517 -4.723 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.292 -6.956 -3.913 1.00 0.38 H new ATOM 1241 N ASN A 120 7.765 -4.317 -7.236 1.00 0.25 N ATOM 1242 CA ASN A 120 7.001 -3.345 -8.019 1.00 0.24 C ATOM 1243 C ASN A 120 7.631 -1.964 -7.961 1.00 0.23 C ATOM 1244 O ASN A 120 8.453 -1.669 -7.091 1.00 0.26 O ATOM 1245 CB ASN A 120 5.558 -3.303 -7.504 1.00 0.31 C ATOM 1246 CG ASN A 120 4.913 -1.921 -7.530 1.00 0.54 C ATOM 1247 OD1 ASN A 120 5.324 -1.013 -6.812 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.877 -1.756 -8.315 1.00 0.36 N ATOM 0 H ASN A 120 8.330 -3.900 -6.496 1.00 0.25 H new ATOM 0 HA ASN A 120 7.006 -3.658 -9.063 1.00 0.24 H new ATOM 0 HB2 ASN A 120 4.953 -3.983 -8.103 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.541 -3.678 -6.481 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.393 -0.858 -8.339 1.00 0.36 H new ATOM 0 HD22 ASN A 120 3.554 -2.525 -8.902 1.00 0.36 H new ATOM 1255 N GLU A 121 7.226 -1.136 -8.904 1.00 0.24 N ATOM 1256 CA GLU A 121 7.564 0.273 -8.907 1.00 0.25 C ATOM 1257 C GLU A 121 6.294 1.100 -8.884 1.00 0.25 C ATOM 1258 O GLU A 121 5.478 1.035 -9.807 1.00 0.32 O ATOM 1259 CB GLU A 121 8.386 0.642 -10.133 1.00 0.31 C ATOM 1260 CG GLU A 121 8.425 2.149 -10.405 1.00 0.35 C ATOM 1261 CD GLU A 121 9.019 2.492 -11.757 1.00 0.71 C ATOM 1262 OE1 GLU A 121 8.591 1.904 -12.771 1.00 1.17 O ATOM 1263 OE2 GLU A 121 9.933 3.347 -11.811 1.00 1.24 O ATOM 0 H GLU A 121 6.649 -1.424 -9.695 1.00 0.24 H new ATOM 0 HA GLU A 121 8.162 0.480 -8.019 1.00 0.25 H new ATOM 0 HB2 GLU A 121 9.405 0.277 -10.002 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.974 0.133 -11.005 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.413 2.549 -10.347 1.00 0.35 H new ATOM 0 HG3 GLU A 121 9.007 2.639 -9.624 1.00 0.35 H new ATOM 1270 N ILE A 122 6.126 1.856 -7.823 1.00 0.21 N ATOM 1271 CA ILE A 122 5.016 2.769 -7.716 1.00 0.23 C ATOM 1272 C ILE A 122 5.522 4.191 -7.905 1.00 0.26 C ATOM 1273 O ILE A 122 6.691 4.399 -8.223 1.00 0.25 O ATOM 1274 CB ILE A 122 4.256 2.617 -6.379 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.215 2.724 -5.194 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.506 1.287 -6.349 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.570 2.409 -3.864 1.00 0.31 C ATOM 0 H ILE A 122 6.751 1.854 -7.017 1.00 0.21 H new ATOM 0 HA ILE A 122 4.297 2.530 -8.500 1.00 0.23 H new ATOM 0 HB ILE A 122 3.531 3.427 -6.298 1.00 0.26 H new ATOM 0 HG12 ILE A 122 6.052 2.044 -5.352 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.626 3.733 -5.159 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.974 1.190 -5.402 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.792 1.253 -7.172 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.216 0.466 -6.451 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.310 2.505 -3.069 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.751 3.105 -3.683 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.184 1.390 -3.879 1.00 0.31 H new ATOM 1289 N LYS A 123 4.650 5.159 -7.763 1.00 0.30 N ATOM 1290 CA LYS A 123 4.999 6.532 -8.058 1.00 0.34 C ATOM 1291 C LYS A 123 5.879 7.113 -6.971 1.00 0.36 C ATOM 1292 O LYS A 123 5.455 7.281 -5.831 1.00 0.42 O ATOM 1293 CB LYS A 123 3.730 7.345 -8.221 1.00 0.39 C ATOM 1294 CG LYS A 123 3.960 8.710 -8.813 1.00 0.48 C ATOM 1295 CD LYS A 123 2.648 9.370 -9.183 1.00 0.75 C ATOM 1296 CE LYS A 123 1.648 9.250 -8.048 1.00 1.35 C ATOM 1297 NZ LYS A 123 0.316 9.812 -8.400 1.00 2.15 N ATOM 0 H LYS A 123 3.691 5.024 -7.444 1.00 0.30 H new ATOM 0 HA LYS A 123 5.567 6.565 -8.988 1.00 0.34 H new ATOM 0 HB2 LYS A 123 3.035 6.795 -8.856 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.252 7.456 -7.248 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.496 9.334 -8.098 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.591 8.625 -9.698 1.00 0.48 H new ATOM 0 HD2 LYS A 123 2.817 10.421 -9.416 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.243 8.906 -10.082 1.00 0.75 H new ATOM 0 HE2 LYS A 123 1.536 8.200 -7.777 1.00 1.35 H new ATOM 0 HE3 LYS A 123 2.036 9.766 -7.170 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 -0.330 9.706 -7.592 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 0.415 10.821 -8.633 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 -0.070 9.303 -9.221 1.00 2.15 H new ATOM 1311 N GLY A 124 7.117 7.398 -7.336 1.00 0.37 N ATOM 1312 CA GLY A 124 8.055 7.986 -6.412 1.00 0.42 C ATOM 1313 C GLY A 124 8.738 6.951 -5.540 1.00 0.38 C ATOM 1314 O GLY A 124 9.902 7.109 -5.170 1.00 0.42 O ATOM 0 H GLY A 124 7.491 7.229 -8.270 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.809 8.541 -6.969 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.534 8.704 -5.778 1.00 0.42 H new ATOM 1318 N GLY A 125 8.004 5.909 -5.187 1.00 0.34 N ATOM 1319 CA GLY A 125 8.555 4.848 -4.377 1.00 0.31 C ATOM 1320 C GLY A 125 8.578 3.509 -5.083 1.00 0.25 C ATOM 1321 O GLY A 125 8.065 3.362 -6.184 1.00 0.29 O ATOM 0 H GLY A 125 7.027 5.780 -5.451 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.570 5.114 -4.083 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.971 4.758 -3.461 1.00 0.31 H new ATOM 1325 N TYR A 126 9.192 2.537 -4.443 1.00 0.19 N ATOM 1326 CA TYR A 126 9.161 1.160 -4.903 1.00 0.16 C ATOM 1327 C TYR A 126 8.668 0.280 -3.776 1.00 0.16 C ATOM 1328 O TYR A 126 9.289 0.245 -2.720 1.00 0.17 O ATOM 1329 CB TYR A 126 10.565 0.696 -5.302 1.00 0.15 C ATOM 1330 CG TYR A 126 10.964 1.003 -6.724 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.099 2.306 -7.164 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.207 -0.021 -7.625 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.467 2.585 -8.462 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.579 0.247 -8.927 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.710 1.552 -9.341 1.00 0.30 C ATOM 1336 OH TYR A 126 12.091 1.829 -10.635 1.00 0.38 O ATOM 0 H TYR A 126 9.729 2.677 -3.587 1.00 0.19 H new ATOM 0 HA TYR A 126 8.501 1.092 -5.768 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.288 1.160 -4.631 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.632 -0.381 -5.147 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.913 3.120 -6.479 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.104 -1.047 -7.303 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.565 3.610 -8.789 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.766 -0.563 -9.616 1.00 0.27 H new ATOM 0 HH TYR A 126 11.424 2.412 -11.055 1.00 0.38 H new ATOM 1346 N VAL A 127 7.575 -0.431 -3.969 1.00 0.18 N ATOM 1347 CA VAL A 127 7.172 -1.376 -2.952 1.00 0.20 C ATOM 1348 C VAL A 127 8.048 -2.615 -3.091 1.00 0.17 C ATOM 1349 O VAL A 127 8.000 -3.344 -4.087 1.00 0.20 O ATOM 1350 CB VAL A 127 5.657 -1.709 -2.979 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.213 -2.298 -4.300 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.302 -2.636 -1.836 1.00 0.60 C ATOM 0 H VAL A 127 6.971 -0.377 -4.789 1.00 0.18 H new ATOM 0 HA VAL A 127 7.320 -0.924 -1.971 1.00 0.20 H new ATOM 0 HB VAL A 127 5.121 -0.768 -2.859 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.145 -2.512 -4.262 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.413 -1.586 -5.101 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.761 -3.221 -4.489 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.236 -2.861 -1.868 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.871 -3.561 -1.928 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.543 -2.154 -0.888 1.00 0.60 H new ATOM 1362 N ILE A 128 8.887 -2.812 -2.096 1.00 0.14 N ATOM 1363 CA ILE A 128 10.007 -3.719 -2.207 1.00 0.12 C ATOM 1364 C ILE A 128 9.992 -4.768 -1.117 1.00 0.13 C ATOM 1365 O ILE A 128 9.554 -4.515 0.003 1.00 0.16 O ATOM 1366 CB ILE A 128 11.342 -2.943 -2.139 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.361 -2.009 -0.916 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.563 -2.156 -3.423 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.632 -1.200 -0.781 1.00 0.19 C ATOM 0 H ILE A 128 8.811 -2.349 -1.190 1.00 0.14 H new ATOM 0 HA ILE A 128 9.916 -4.219 -3.171 1.00 0.12 H new ATOM 0 HB ILE A 128 12.156 -3.660 -2.032 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.513 -1.327 -0.979 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.224 -2.605 -0.014 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.507 -1.615 -3.360 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.594 -2.842 -4.270 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.747 -1.447 -3.560 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.568 -0.567 0.104 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.484 -1.874 -0.685 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.761 -0.575 -1.665 1.00 0.19 H new ATOM 1381 N LYS A 129 10.469 -5.943 -1.458 1.00 0.15 N ATOM 1382 CA LYS A 129 10.623 -7.006 -0.492 1.00 0.18 C ATOM 1383 C LYS A 129 12.102 -7.252 -0.260 1.00 0.19 C ATOM 1384 O LYS A 129 12.774 -7.884 -1.073 1.00 0.20 O ATOM 1385 CB LYS A 129 9.944 -8.277 -0.999 1.00 0.22 C ATOM 1386 CG LYS A 129 10.055 -9.456 -0.051 1.00 0.28 C ATOM 1387 CD LYS A 129 9.357 -10.678 -0.614 1.00 0.40 C ATOM 1388 CE LYS A 129 9.411 -11.841 0.355 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.651 -13.018 -0.146 1.00 0.76 N ATOM 0 H LYS A 129 10.759 -6.188 -2.405 1.00 0.15 H new ATOM 0 HA LYS A 129 10.153 -6.719 0.449 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.890 -8.066 -1.179 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.382 -8.553 -1.958 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.106 -9.684 0.129 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.616 -9.195 0.912 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.318 -10.435 -0.836 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.825 -10.965 -1.556 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.450 -12.125 0.523 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.005 -11.530 1.318 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.059 -13.400 0.619 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 8.046 -12.728 -0.941 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 9.316 -13.750 -0.467 1.00 0.76 H new ATOM 1403 N VAL A 130 12.605 -6.761 0.857 1.00 0.21 N ATOM 1404 CA VAL A 130 14.007 -6.882 1.170 1.00 0.24 C ATOM 1405 C VAL A 130 14.169 -7.602 2.500 1.00 0.29 C ATOM 1406 O VAL A 130 13.431 -7.333 3.456 1.00 0.29 O ATOM 1407 CB VAL A 130 14.718 -5.496 1.196 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.918 -4.458 0.428 1.00 0.26 C ATOM 1409 CG2 VAL A 130 14.986 -4.993 2.607 1.00 0.26 C ATOM 0 H VAL A 130 12.055 -6.272 1.564 1.00 0.21 H new ATOM 0 HA VAL A 130 14.485 -7.466 0.383 1.00 0.24 H new ATOM 0 HB VAL A 130 15.683 -5.645 0.712 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.437 -3.500 0.462 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.811 -4.776 -0.609 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.931 -4.352 0.879 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.483 -4.024 2.560 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.042 -4.891 3.142 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.626 -5.703 3.131 1.00 0.26 H new ATOM 1419 N ASP A 131 15.090 -8.556 2.537 1.00 0.36 N ATOM 1420 CA ASP A 131 15.400 -9.289 3.758 1.00 0.44 C ATOM 1421 C ASP A 131 14.152 -10.014 4.282 1.00 0.43 C ATOM 1422 O ASP A 131 13.979 -10.219 5.483 1.00 0.50 O ATOM 1423 CB ASP A 131 15.977 -8.314 4.795 1.00 0.48 C ATOM 1424 CG ASP A 131 16.517 -8.993 6.040 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.535 -9.712 5.937 1.00 0.74 O ATOM 1426 OD2 ASP A 131 15.921 -8.826 7.125 1.00 0.59 O ATOM 0 H ASP A 131 15.640 -8.842 1.727 1.00 0.36 H new ATOM 0 HA ASP A 131 16.148 -10.055 3.552 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.777 -7.737 4.331 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.201 -7.606 5.086 1.00 0.48 H new ATOM 1431 N GLY A 132 13.268 -10.378 3.353 1.00 0.39 N ATOM 1432 CA GLY A 132 12.070 -11.122 3.700 1.00 0.40 C ATOM 1433 C GLY A 132 10.899 -10.223 4.045 1.00 0.40 C ATOM 1434 O GLY A 132 9.750 -10.667 4.082 1.00 0.59 O ATOM 0 H GLY A 132 13.363 -10.168 2.359 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.794 -11.767 2.866 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.285 -11.773 4.548 1.00 0.40 H new ATOM 1438 N LYS A 133 11.185 -8.953 4.276 1.00 0.30 N ATOM 1439 CA LYS A 133 10.173 -8.005 4.706 1.00 0.29 C ATOM 1440 C LYS A 133 9.810 -7.049 3.596 1.00 0.26 C ATOM 1441 O LYS A 133 10.533 -6.909 2.614 1.00 0.33 O ATOM 1442 CB LYS A 133 10.668 -7.229 5.924 1.00 0.33 C ATOM 1443 CG LYS A 133 10.618 -8.033 7.206 1.00 0.40 C ATOM 1444 CD LYS A 133 11.431 -7.390 8.315 1.00 0.80 C ATOM 1445 CE LYS A 133 12.918 -7.446 8.014 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.431 -8.841 7.982 1.00 1.15 N ATOM 0 H LYS A 133 12.117 -8.553 4.172 1.00 0.30 H new ATOM 0 HA LYS A 133 9.277 -8.566 4.974 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.693 -6.903 5.747 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.064 -6.330 6.043 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.582 -8.135 7.529 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.994 -9.039 7.018 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.122 -6.352 8.440 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.229 -7.898 9.258 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.111 -6.967 7.054 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.462 -6.878 8.769 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.470 -8.830 8.029 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.054 -9.368 8.795 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.129 -9.302 7.100 1.00 1.15 H new ATOM 1460 N TYR A 134 8.686 -6.389 3.762 1.00 0.25 N ATOM 1461 CA TYR A 134 8.184 -5.496 2.745 1.00 0.23 C ATOM 1462 C TYR A 134 8.306 -4.050 3.172 1.00 0.22 C ATOM 1463 O TYR A 134 7.992 -3.689 4.310 1.00 0.26 O ATOM 1464 CB TYR A 134 6.736 -5.816 2.424 1.00 0.28 C ATOM 1465 CG TYR A 134 6.530 -6.272 1.007 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.405 -5.360 -0.029 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.447 -7.616 0.712 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.195 -5.783 -1.325 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.231 -8.047 -0.584 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.105 -7.127 -1.592 1.00 0.91 C ATOM 1471 OH TYR A 134 5.864 -7.557 -2.870 1.00 1.22 O ATOM 0 H TYR A 134 8.101 -6.455 4.595 1.00 0.25 H new ATOM 0 HA TYR A 134 8.790 -5.642 1.851 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.383 -6.592 3.103 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.126 -4.931 2.606 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.473 -4.303 0.181 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.552 -8.342 1.504 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.102 -5.062 -2.124 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.162 -9.103 -0.801 1.00 0.86 H new ATOM 0 HH TYR A 134 5.831 -8.536 -2.885 1.00 1.22 H new ATOM 1481 N TYR A 135 8.777 -3.238 2.249 1.00 0.19 N ATOM 1482 CA TYR A 135 8.942 -1.818 2.466 1.00 0.20 C ATOM 1483 C TYR A 135 8.504 -1.082 1.224 1.00 0.19 C ATOM 1484 O TYR A 135 8.139 -1.697 0.225 1.00 0.21 O ATOM 1485 CB TYR A 135 10.410 -1.468 2.738 1.00 0.19 C ATOM 1486 CG TYR A 135 11.083 -2.298 3.789 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.586 -3.545 3.478 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.244 -1.823 5.078 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.229 -4.302 4.412 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.888 -2.579 6.032 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.382 -3.823 5.695 1.00 0.31 C ATOM 1492 OH TYR A 135 13.038 -4.581 6.638 1.00 0.37 O ATOM 0 H TYR A 135 9.058 -3.549 1.319 1.00 0.19 H new ATOM 0 HA TYR A 135 8.342 -1.530 3.329 1.00 0.20 H new ATOM 0 HB2 TYR A 135 10.968 -1.568 1.807 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.468 -0.420 3.034 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.468 -3.929 2.475 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.860 -0.848 5.339 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.617 -5.274 4.147 1.00 0.26 H new ATOM 0 HE2 TYR A 135 12.006 -2.201 7.037 1.00 0.32 H new ATOM 0 HH TYR A 135 13.060 -4.097 7.490 1.00 0.37 H new ATOM 1502 N VAL A 136 8.539 0.227 1.288 1.00 0.21 N ATOM 1503 CA VAL A 136 8.312 1.047 0.120 1.00 0.22 C ATOM 1504 C VAL A 136 9.411 2.082 0.007 1.00 0.23 C ATOM 1505 O VAL A 136 9.480 3.026 0.786 1.00 0.31 O ATOM 1506 CB VAL A 136 6.930 1.726 0.156 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.797 2.744 -0.969 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.843 0.669 0.049 1.00 0.26 C ATOM 0 H VAL A 136 8.724 0.752 2.143 1.00 0.21 H new ATOM 0 HA VAL A 136 8.329 0.401 -0.758 1.00 0.22 H new ATOM 0 HB VAL A 136 6.822 2.257 1.102 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.813 3.210 -0.923 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.566 3.509 -0.861 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.916 2.243 -1.929 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.865 1.149 0.074 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.956 0.125 -0.889 1.00 0.26 H new ATOM 0 HG23 VAL A 136 5.928 -0.026 0.884 1.00 0.26 H new ATOM 1518 N TYR A 137 10.254 1.907 -0.986 1.00 0.20 N ATOM 1519 CA TYR A 137 11.422 2.737 -1.151 1.00 0.24 C ATOM 1520 C TYR A 137 11.034 4.071 -1.706 1.00 0.27 C ATOM 1521 O TYR A 137 10.775 4.209 -2.891 1.00 0.46 O ATOM 1522 CB TYR A 137 12.416 2.074 -2.102 1.00 0.35 C ATOM 1523 CG TYR A 137 13.460 3.038 -2.588 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.338 3.579 -1.694 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.542 3.430 -3.916 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.286 4.488 -2.083 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.496 4.340 -4.325 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.367 4.868 -3.402 1.00 0.77 C ATOM 1529 OH TYR A 137 16.325 5.775 -3.795 1.00 1.01 O ATOM 0 H TYR A 137 10.148 1.186 -1.700 1.00 0.20 H new ATOM 0 HA TYR A 137 11.887 2.868 -0.174 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.901 1.240 -1.595 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.880 1.660 -2.956 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.284 3.284 -0.657 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.852 3.019 -4.638 1.00 0.63 H new ATOM 0 HE1 TYR A 137 15.967 4.905 -1.356 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.558 4.635 -5.362 1.00 0.78 H new ATOM 0 HH TYR A 137 16.248 5.935 -4.759 1.00 1.01 H new ATOM 1539 N LEU A 138 11.004 5.054 -0.845 1.00 0.29 N ATOM 1540 CA LEU A 138 10.603 6.358 -1.259 1.00 0.38 C ATOM 1541 C LEU A 138 11.801 7.193 -1.645 1.00 0.44 C ATOM 1542 O LEU A 138 12.727 7.391 -0.856 1.00 0.50 O ATOM 1543 CB LEU A 138 9.811 7.028 -0.163 1.00 0.48 C ATOM 1544 CG LEU A 138 8.745 7.979 -0.680 1.00 0.64 C ATOM 1545 CD1 LEU A 138 7.725 7.223 -1.516 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.072 8.704 0.463 1.00 0.72 C ATOM 0 H LEU A 138 11.252 4.970 0.141 1.00 0.29 H new ATOM 0 HA LEU A 138 9.967 6.263 -2.139 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.337 6.263 0.451 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.494 7.578 0.484 1.00 0.48 H new ATOM 0 HG LEU A 138 9.225 8.725 -1.313 1.00 0.64 H new ATOM 0 HD11 LEU A 138 6.967 7.917 -1.880 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.225 6.754 -2.364 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.251 6.455 -0.905 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.313 9.379 0.069 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.603 7.979 1.128 1.00 0.72 H new ATOM 0 HD23 LEU A 138 8.815 9.277 1.018 1.00 0.72 H new ATOM 1558 N LYS A 139 11.773 7.669 -2.870 1.00 0.46 N ATOM 1559 CA LYS A 139 12.843 8.490 -3.396 1.00 0.54 C ATOM 1560 C LYS A 139 12.717 9.925 -2.881 1.00 0.64 C ATOM 1561 O LYS A 139 13.655 10.719 -2.981 1.00 0.74 O ATOM 1562 CB LYS A 139 12.816 8.452 -4.919 1.00 0.56 C ATOM 1563 CG LYS A 139 13.043 7.064 -5.494 1.00 0.50 C ATOM 1564 CD LYS A 139 13.017 7.088 -7.015 1.00 0.59 C ATOM 1565 CE LYS A 139 13.223 5.704 -7.608 1.00 1.51 C ATOM 1566 NZ LYS A 139 13.064 5.703 -9.088 1.00 2.31 N ATOM 0 H LYS A 139 11.012 7.499 -3.528 1.00 0.46 H new ATOM 0 HA LYS A 139 13.800 8.096 -3.054 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.854 8.828 -5.267 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.580 9.126 -5.305 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.002 6.677 -5.150 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.275 6.384 -5.125 1.00 0.50 H new ATOM 0 HD2 LYS A 139 12.063 7.490 -7.355 1.00 0.59 H new ATOM 0 HD3 LYS A 139 13.794 7.759 -7.381 1.00 0.59 H new ATOM 0 HE2 LYS A 139 14.219 5.343 -7.350 1.00 1.51 H new ATOM 0 HE3 LYS A 139 12.508 5.010 -7.166 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 13.212 4.740 -9.452 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 12.105 6.023 -9.334 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 13.763 6.346 -9.513 1.00 2.31 H new ATOM 1580 N ASP A 140 11.550 10.247 -2.324 1.00 0.66 N ATOM 1581 CA ASP A 140 11.322 11.549 -1.708 1.00 0.78 C ATOM 1582 C ASP A 140 10.573 11.377 -0.393 1.00 0.77 C ATOM 1583 O ASP A 140 9.401 11.728 -0.270 1.00 0.88 O ATOM 1584 CB ASP A 140 10.540 12.469 -2.649 1.00 1.00 C ATOM 1585 CG ASP A 140 10.393 13.880 -2.104 1.00 1.24 C ATOM 1586 OD1 ASP A 140 11.415 14.574 -1.936 1.00 1.57 O ATOM 1587 OD2 ASP A 140 9.250 14.303 -1.831 1.00 1.58 O ATOM 0 H ASP A 140 10.746 9.620 -2.288 1.00 0.66 H new ATOM 0 HA ASP A 140 12.289 12.011 -1.509 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.045 12.508 -3.614 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.550 12.047 -2.823 1.00 1.00 H new ATOM 1592 N ALA A 141 11.262 10.814 0.587 1.00 0.73 N ATOM 1593 CA ALA A 141 10.683 10.585 1.904 1.00 0.79 C ATOM 1594 C ALA A 141 10.549 11.888 2.681 1.00 0.97 C ATOM 1595 O ALA A 141 9.812 11.964 3.663 1.00 1.12 O ATOM 1596 CB ALA A 141 11.531 9.592 2.679 1.00 0.86 C ATOM 0 H ALA A 141 12.230 10.505 0.495 1.00 0.73 H new ATOM 0 HA ALA A 141 9.683 10.172 1.770 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.091 9.427 3.662 1.00 0.86 H new ATOM 0 HB2 ALA A 141 11.572 8.647 2.137 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.540 9.988 2.795 1.00 0.86 H new ATOM 1602 N ALA A 142 11.250 12.914 2.222 1.00 1.02 N ATOM 1603 CA ALA A 142 11.298 14.182 2.929 1.00 1.26 C ATOM 1604 C ALA A 142 10.013 14.991 2.766 1.00 1.37 C ATOM 1605 O ALA A 142 9.591 15.680 3.695 1.00 1.60 O ATOM 1606 CB ALA A 142 12.494 14.998 2.463 1.00 1.38 C ATOM 0 H ALA A 142 11.795 12.891 1.360 1.00 1.02 H new ATOM 0 HA ALA A 142 11.402 13.954 3.990 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.519 15.946 3.000 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.412 14.444 2.661 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.409 15.189 1.393 1.00 1.38 H new ATOM 1612 N HIS A 143 9.381 14.907 1.600 1.00 1.30 N ATOM 1613 CA HIS A 143 8.250 15.785 1.300 1.00 1.50 C ATOM 1614 C HIS A 143 6.980 14.992 1.023 1.00 1.25 C ATOM 1615 O HIS A 143 6.006 15.539 0.499 1.00 1.33 O ATOM 1616 CB HIS A 143 8.563 16.665 0.089 1.00 1.74 C ATOM 1617 CG HIS A 143 9.918 17.303 0.136 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.987 16.852 -0.609 1.00 2.83 N ATOM 1619 CD2 HIS A 143 10.377 18.357 0.846 1.00 2.47 C ATOM 1620 CE1 HIS A 143 12.043 17.602 -0.359 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.700 18.522 0.520 1.00 3.11 N ATOM 0 H HIS A 143 9.625 14.252 0.857 1.00 1.30 H new ATOM 0 HA HIS A 143 8.086 16.409 2.179 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.488 16.061 -0.816 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.807 17.446 0.015 1.00 1.74 H new ATOM 0 HD1 HIS A 143 10.965 16.061 -1.253 1.00 2.83 H new ATOM 0 HD2 HIS A 143 9.809 18.958 1.541 1.00 2.47 H new ATOM 0 HE1 HIS A 143 13.022 17.482 -0.800 1.00 3.41 H new ATOM 1630 N ALA A 144 6.999 13.713 1.397 1.00 0.99 N ATOM 1631 CA ALA A 144 5.900 12.790 1.129 1.00 0.77 C ATOM 1632 C ALA A 144 5.700 12.563 -0.355 1.00 0.76 C ATOM 1633 O ALA A 144 5.299 13.453 -1.101 1.00 1.13 O ATOM 1634 CB ALA A 144 4.607 13.266 1.759 1.00 0.88 C ATOM 0 H ALA A 144 7.780 13.288 1.896 1.00 0.99 H new ATOM 0 HA ALA A 144 6.178 11.839 1.583 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.811 12.554 1.539 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.735 13.344 2.839 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.343 14.243 1.354 1.00 0.88 H new ATOM 1640 N ASP A 145 5.965 11.348 -0.766 1.00 0.59 N ATOM 1641 CA ASP A 145 5.765 10.940 -2.135 1.00 0.87 C ATOM 1642 C ASP A 145 4.716 9.849 -2.151 1.00 0.66 C ATOM 1643 O ASP A 145 5.036 8.705 -2.404 1.00 0.75 O ATOM 1644 CB ASP A 145 7.067 10.444 -2.758 1.00 1.23 C ATOM 1645 CG ASP A 145 7.177 10.807 -4.227 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.416 10.237 -5.037 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.024 11.646 -4.584 1.00 2.20 O ATOM 0 H ASP A 145 6.326 10.612 -0.159 1.00 0.59 H new ATOM 0 HA ASP A 145 5.431 11.792 -2.727 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.912 10.870 -2.217 1.00 1.23 H new ATOM 0 HB3 ASP A 145 7.131 9.361 -2.648 1.00 1.23 H new ATOM 1652 N ASN A 146 3.496 10.232 -1.759 1.00 0.48 N ATOM 1653 CA ASN A 146 2.321 9.342 -1.648 1.00 0.32 C ATOM 1654 C ASN A 146 2.327 8.627 -0.306 1.00 0.25 C ATOM 1655 O ASN A 146 1.749 7.568 -0.130 1.00 0.37 O ATOM 1656 CB ASN A 146 2.150 8.367 -2.855 1.00 0.38 C ATOM 1657 CG ASN A 146 2.866 7.018 -2.792 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.540 6.143 -1.998 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.796 6.810 -3.696 1.00 0.65 N ATOM 0 H ASN A 146 3.286 11.196 -1.501 1.00 0.48 H new ATOM 0 HA ASN A 146 1.435 9.975 -1.692 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.085 8.174 -2.981 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.489 8.884 -3.753 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.264 5.905 -3.748 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.050 7.553 -4.346 1.00 0.65 H new ATOM 1666 N ILE A 147 2.927 9.270 0.677 1.00 0.30 N ATOM 1667 CA ILE A 147 2.904 8.750 2.029 1.00 0.34 C ATOM 1668 C ILE A 147 1.948 9.547 2.899 1.00 0.38 C ATOM 1669 O ILE A 147 2.050 10.771 2.995 1.00 0.46 O ATOM 1670 CB ILE A 147 4.300 8.767 2.678 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.280 7.941 1.847 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.235 8.251 4.115 1.00 0.49 C ATOM 1673 CD1 ILE A 147 4.858 6.501 1.644 1.00 0.50 C ATOM 0 H ILE A 147 3.433 10.148 0.565 1.00 0.30 H new ATOM 0 HA ILE A 147 2.565 7.716 1.958 1.00 0.34 H new ATOM 0 HB ILE A 147 4.656 9.797 2.707 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.401 8.414 0.872 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.256 7.957 2.333 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.232 8.272 4.554 1.00 0.49 H new ATOM 0 HG22 ILE A 147 3.568 8.885 4.699 1.00 0.49 H new ATOM 0 HG23 ILE A 147 3.858 7.228 4.118 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.607 5.983 1.044 1.00 0.50 H new ATOM 0 HD12 ILE A 147 4.765 6.009 2.612 1.00 0.50 H new ATOM 0 HD13 ILE A 147 3.898 6.472 1.129 1.00 0.50 H new ATOM 1685 N ARG A 148 1.012 8.848 3.511 1.00 0.36 N ATOM 1686 CA ARG A 148 0.165 9.428 4.535 1.00 0.38 C ATOM 1687 C ARG A 148 0.641 8.875 5.862 1.00 0.36 C ATOM 1688 O ARG A 148 0.661 7.664 6.034 1.00 0.39 O ATOM 1689 CB ARG A 148 -1.301 9.048 4.302 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.828 9.442 2.930 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.821 10.946 2.737 1.00 0.83 C ATOM 1692 NE ARG A 148 -2.139 11.330 1.365 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.527 12.316 0.717 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -0.639 13.076 1.352 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.826 12.560 -0.553 1.00 1.78 N ATOM 0 H ARG A 148 0.818 7.866 3.314 1.00 0.36 H new ATOM 0 HA ARG A 148 0.228 10.516 4.516 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -1.412 7.971 4.428 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.915 9.523 5.067 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -1.218 8.973 2.158 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.843 9.064 2.808 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -2.543 11.401 3.416 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.840 11.340 3.004 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.871 10.813 0.877 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.429 12.902 2.335 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -0.168 13.833 0.856 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.525 11.991 -1.031 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -1.357 13.316 -1.051 1.00 1.78 H new ATOM 1709 N THR A 149 1.048 9.742 6.778 1.00 0.33 N ATOM 1710 CA THR A 149 1.594 9.286 8.051 1.00 0.31 C ATOM 1711 C THR A 149 0.513 8.703 8.936 1.00 0.28 C ATOM 1712 O THR A 149 -0.652 8.965 8.709 1.00 0.29 O ATOM 1713 CB THR A 149 2.300 10.421 8.810 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.467 11.587 8.867 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.623 10.762 8.147 1.00 0.40 C ATOM 0 H THR A 149 1.012 10.755 6.667 1.00 0.33 H new ATOM 0 HA THR A 149 2.324 8.513 7.813 1.00 0.31 H new ATOM 0 HB THR A 149 2.493 10.079 9.827 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.932 12.298 9.355 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.109 11.567 8.698 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.267 9.883 8.147 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.444 11.081 7.120 1.00 0.40 H new ATOM 1723 N LYS A 150 0.890 7.927 9.944 1.00 0.31 N ATOM 1724 CA LYS A 150 -0.081 7.395 10.892 1.00 0.34 C ATOM 1725 C LYS A 150 -0.882 8.541 11.473 1.00 0.31 C ATOM 1726 O LYS A 150 -2.068 8.407 11.789 1.00 0.39 O ATOM 1727 CB LYS A 150 0.630 6.619 12.000 1.00 0.41 C ATOM 1728 CG LYS A 150 1.315 5.367 11.510 1.00 0.63 C ATOM 1729 CD LYS A 150 0.330 4.261 11.178 1.00 1.48 C ATOM 1730 CE LYS A 150 -0.390 3.757 12.416 1.00 2.24 C ATOM 1731 NZ LYS A 150 0.553 3.163 13.400 1.00 3.02 N ATOM 0 H LYS A 150 1.856 7.653 10.126 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.755 6.708 10.379 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.368 7.268 12.471 1.00 0.41 H new ATOM 0 HB3 LYS A 150 -0.095 6.351 12.768 1.00 0.41 H new ATOM 0 HG2 LYS A 150 1.905 5.602 10.624 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.010 5.014 12.272 1.00 0.63 H new ATOM 0 HD2 LYS A 150 -0.400 4.629 10.457 1.00 1.48 H new ATOM 0 HD3 LYS A 150 0.858 3.434 10.703 1.00 1.48 H new ATOM 0 HE2 LYS A 150 -0.931 4.580 12.882 1.00 2.24 H new ATOM 0 HE3 LYS A 150 -1.131 3.012 12.127 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 0.073 2.406 13.928 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 1.375 2.768 12.899 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 0.872 3.898 14.063 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.219 9.678 11.578 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.877 10.904 11.985 1.00 0.34 C ATOM 1747 C GLU A 151 -1.838 11.394 10.903 1.00 0.36 C ATOM 1748 O GLU A 151 -3.008 11.665 11.178 1.00 0.48 O ATOM 1749 CB GLU A 151 0.147 11.988 12.306 1.00 0.44 C ATOM 1750 CG GLU A 151 1.074 11.625 13.445 1.00 0.56 C ATOM 1751 CD GLU A 151 2.013 12.755 13.799 1.00 1.01 C ATOM 1752 OE1 GLU A 151 3.104 12.841 13.198 1.00 1.36 O ATOM 1753 OE2 GLU A 151 1.650 13.580 14.664 1.00 1.19 O ATOM 0 H GLU A 151 0.778 9.777 11.386 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.451 10.689 12.886 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.741 12.190 11.415 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.378 12.910 12.555 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.483 11.358 14.321 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.655 10.744 13.172 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.351 11.486 9.667 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.163 11.993 8.565 1.00 0.40 C ATOM 1762 C GLU A 152 -3.284 11.032 8.228 1.00 0.40 C ATOM 1763 O GLU A 152 -4.379 11.457 7.908 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.321 12.239 7.315 1.00 0.44 C ATOM 1765 CG GLU A 152 -2.064 13.007 6.231 1.00 0.54 C ATOM 1766 CD GLU A 152 -1.136 13.707 5.255 1.00 0.67 C ATOM 1767 OE1 GLU A 152 -0.523 13.013 4.417 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -1.008 14.946 5.316 1.00 0.76 O ATOM 0 H GLU A 152 -0.403 11.217 9.405 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.587 12.941 8.895 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.424 12.792 7.593 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.993 11.281 6.912 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.707 12.319 5.682 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.714 13.746 6.699 1.00 0.54 H new ATOM 1775 N ILE A 153 -3.006 9.744 8.296 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.991 8.728 7.981 1.00 0.35 C ATOM 1777 C ILE A 153 -5.248 8.921 8.821 1.00 0.39 C ATOM 1778 O ILE A 153 -6.363 8.802 8.321 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.444 7.297 8.209 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -2.278 7.010 7.263 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.547 6.263 8.015 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.585 5.689 7.535 1.00 0.47 C ATOM 0 H ILE A 153 -2.096 9.374 8.570 1.00 0.34 H new ATOM 0 HA ILE A 153 -4.231 8.839 6.924 1.00 0.35 H new ATOM 0 HB ILE A 153 -3.083 7.231 9.235 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.645 7.013 6.237 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.549 7.816 7.344 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -4.143 5.264 8.180 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -5.351 6.451 8.727 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.937 6.334 7.000 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.769 5.553 6.825 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -1.187 5.689 8.550 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -2.300 4.874 7.426 1.00 0.47 H new ATOM 1794 N LYS A 154 -5.059 9.249 10.091 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.180 9.463 10.996 1.00 0.50 C ATOM 1796 C LYS A 154 -6.902 10.769 10.653 1.00 0.56 C ATOM 1797 O LYS A 154 -8.076 10.947 10.968 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.670 9.473 12.439 1.00 0.57 C ATOM 1799 CG LYS A 154 -6.761 9.560 13.495 1.00 1.42 C ATOM 1800 CD LYS A 154 -6.205 9.314 14.891 1.00 1.77 C ATOM 1801 CE LYS A 154 -5.100 10.298 15.243 1.00 2.57 C ATOM 1802 NZ LYS A 154 -4.489 10.001 16.567 1.00 3.43 N ATOM 0 H LYS A 154 -4.141 9.373 10.518 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.899 8.651 10.885 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.087 8.568 12.611 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -4.992 10.317 12.565 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -7.229 10.544 13.456 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -7.539 8.828 13.278 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -7.010 9.395 15.622 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -5.819 8.297 14.954 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -4.329 10.268 14.473 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -5.505 11.310 15.249 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -3.741 10.695 16.768 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -5.219 10.055 17.306 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -4.080 9.045 16.554 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.192 11.670 9.996 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.790 12.893 9.467 1.00 0.63 C ATOM 1818 C ARG A 155 -7.537 12.579 8.177 1.00 0.66 C ATOM 1819 O ARG A 155 -8.669 13.016 7.963 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.715 13.925 9.172 1.00 0.65 C ATOM 1821 CG ARG A 155 -4.798 14.211 10.345 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.687 15.154 9.940 1.00 1.31 C ATOM 1823 NE ARG A 155 -2.647 15.253 10.963 1.00 2.28 N ATOM 1824 CZ ARG A 155 -1.372 15.534 10.702 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -0.990 15.811 9.462 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -0.482 15.554 11.688 1.00 3.70 N ATOM 0 H ARG A 155 -5.193 11.580 9.813 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.478 13.293 10.212 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -5.115 13.579 8.330 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -6.193 14.854 8.862 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.371 14.647 11.163 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.373 13.278 10.716 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -3.244 14.810 9.005 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.103 16.143 9.750 1.00 1.31 H new ATOM 0 HE ARG A 155 -2.914 15.097 11.935 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.674 15.809 8.705 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -0.012 16.026 9.265 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -0.776 15.354 12.644 1.00 3.70 H new ATOM 0 HH22 ARG A 155 0.495 15.769 11.489 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.877 11.800 7.333 1.00 0.58 N ATOM 1841 CA GLN A 156 -7.388 11.429 6.025 1.00 0.70 C ATOM 1842 C GLN A 156 -8.611 10.522 6.151 1.00 0.67 C ATOM 1843 O GLN A 156 -9.452 10.464 5.253 1.00 0.80 O ATOM 1844 CB GLN A 156 -6.285 10.731 5.229 1.00 0.77 C ATOM 1845 CG GLN A 156 -5.069 11.616 5.001 1.00 0.85 C ATOM 1846 CD GLN A 156 -5.353 12.780 4.073 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.741 13.861 4.516 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -5.166 12.567 2.779 1.00 0.92 N ATOM 0 H GLN A 156 -5.960 11.404 7.541 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.698 12.332 5.500 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.977 9.829 5.758 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.684 10.415 4.265 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.720 11.999 5.960 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -4.261 11.015 4.585 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -4.843 11.656 2.454 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -5.345 13.314 2.108 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.709 9.827 7.282 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.797 8.884 7.510 1.00 0.54 C ATOM 1859 C LYS A 157 -11.035 9.583 8.070 1.00 0.62 C ATOM 1860 O LYS A 157 -12.056 8.945 8.321 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.355 7.752 8.444 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.279 8.139 9.903 1.00 0.81 C ATOM 1863 CD LYS A 157 -9.066 6.915 10.780 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.839 6.139 10.350 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.607 4.957 11.217 1.00 0.90 N ATOM 0 H LYS A 157 -8.047 9.900 8.054 1.00 0.55 H new ATOM 0 HA LYS A 157 -10.062 8.453 6.544 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -10.049 6.918 8.338 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.376 7.395 8.124 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.463 8.845 10.054 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.198 8.646 10.197 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.958 7.224 11.820 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.944 6.270 10.728 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.957 5.815 9.316 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.966 6.791 10.382 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.759 4.450 10.893 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.470 5.269 12.200 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.430 4.323 11.167 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.941 10.889 8.280 1.00 0.74 N ATOM 1880 CA GLN A 158 -12.077 11.663 8.743 1.00 0.91 C ATOM 1881 C GLN A 158 -13.002 11.979 7.573 1.00 1.15 C ATOM 1882 O GLN A 158 -14.002 11.257 7.392 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.601 12.948 9.412 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.729 12.712 10.633 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.246 14.001 11.269 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -10.066 15.014 10.592 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -10.026 13.970 12.573 1.00 2.52 N ATOM 0 H GLN A 158 -10.089 11.431 8.136 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.631 11.078 9.477 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -11.043 13.540 8.687 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.469 13.538 9.705 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.291 12.137 11.369 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.868 12.108 10.347 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -10.188 13.110 13.097 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -9.695 14.806 13.054 1.00 2.52 H new