USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=30 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 82 SER OG : rot 83:sc= 0.856 USER MOD Set 1.2: A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 137 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 139 LYS NZ :NH3+ 165:sc= -0.0446 (180deg=-0.362) USER MOD Set 3.1: A 83 HIS : no HD1:sc= -4.91! C(o=-5.4!,f=-6.5!) USER MOD Set 3.2: A 86 HIS : no HE2:sc= -0.443 K(o=-5.4,f=-6.3) USER MOD Set 3.3: A 88 HIS : no HD1:sc= -0.0408 K(o=-5.4,f=-7.1) USER MOD Single : A 53 ASN : amide:sc=-0.00815 K(o=-0.0082,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 60 SER OG : rot -1:sc= -1.47! USER MOD Single : A 61 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0487) USER MOD Single : A 66 ASN : amide:sc= 1.03 K(o=1,f=-2.1!) USER MOD Single : A 69 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -1.94! (180deg=-4.37!) USER MOD Single : A 75 THR OG1 : rot -10:sc= 0.397 USER MOD Single : A 77 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.25) USER MOD Single : A 79 TYR OH : rot -85:sc= 1.04 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 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 98:sc= -0.993 USER MOD Single : A 91 ASN : amide:sc= -0.41 K(o=-0.41,f=-7.2!) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.135) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -161:sc= 0.209 USER MOD Single : A 106 MET CE :methyl -143:sc= -1.28 (180deg=-2.83) USER MOD Single : A 111 TYR OH : rot 77:sc= 0.156 USER MOD Single : A 112 GLN : amide:sc=-0.000707 K(o=-0.00071,f=-0.8) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.66) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0.817 (180deg=0.749) USER MOD Single : A 126 TYR OH : rot -39:sc= 0.28 USER MOD Single : A 129 LYS NZ :NH3+ 163:sc= 0.967 (180deg=0.632) USER MOD Single : A 133 LYS NZ :NH3+ -161:sc= 1.61 (180deg=1.15) USER MOD Single : A 134 TYR OH : rot -15:sc= -2.32! USER MOD Single : A 135 TYR OH : rot 180:sc= -0.0115 USER MOD Single : A 143 HIS : no HE2:sc= -0.0994! C(o=-0.099!,f=-5.4!) USER MOD Single : A 146 ASN : amide:sc= -3.29! C(o=-3.3!,f=-14!) USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 150 LYS NZ :NH3+ -171:sc= 1.02 (180deg=0.771) USER MOD Single : A 154 LYS NZ :NH3+ -171:sc= -0.0143 (180deg=-0.118) USER MOD Single : A 156 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.082) USER MOD Single : A 158 GLN : amide:sc= -0.0196 K(o=-0.02,f=-1) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.685 -9.332 0.451 1.00 0.80 N ATOM 158 CA ALA A 51 -8.578 -9.293 -0.503 1.00 0.75 C ATOM 159 C ALA A 51 -9.089 -9.004 -1.909 1.00 0.83 C ATOM 160 O ALA A 51 -9.367 -9.920 -2.685 1.00 1.01 O ATOM 161 CB ALA A 51 -7.769 -10.584 -0.461 1.00 0.84 C ATOM 0 HA ALA A 51 -7.911 -8.481 -0.215 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.953 -10.526 -1.181 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.361 -10.725 0.540 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.414 -11.426 -0.712 1.00 0.84 H new ATOM 167 N GLU A 52 -9.247 -7.720 -2.201 1.00 0.75 N ATOM 168 CA GLU A 52 -9.739 -7.258 -3.495 1.00 0.86 C ATOM 169 C GLU A 52 -8.923 -7.821 -4.654 1.00 0.97 C ATOM 170 O GLU A 52 -7.692 -7.799 -4.631 1.00 1.04 O ATOM 171 CB GLU A 52 -9.705 -5.731 -3.554 1.00 0.83 C ATOM 172 CG GLU A 52 -10.372 -5.066 -2.366 1.00 0.91 C ATOM 173 CD GLU A 52 -11.768 -5.603 -2.117 1.00 1.63 C ATOM 174 OE1 GLU A 52 -12.722 -5.120 -2.762 1.00 2.04 O ATOM 175 OE2 GLU A 52 -11.921 -6.506 -1.268 1.00 1.98 O ATOM 0 H GLU A 52 -9.037 -6.966 -1.546 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.763 -7.617 -3.596 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -8.668 -5.400 -3.611 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.196 -5.399 -4.469 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.762 -5.220 -1.476 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.423 -3.990 -2.536 1.00 0.91 H new ATOM 182 N ASN A 53 -9.626 -8.320 -5.658 1.00 1.07 N ATOM 183 CA ASN A 53 -9.000 -8.825 -6.872 1.00 1.20 C ATOM 184 C ASN A 53 -9.219 -7.842 -8.011 1.00 1.20 C ATOM 185 O ASN A 53 -8.491 -7.842 -9.005 1.00 1.34 O ATOM 186 CB ASN A 53 -9.582 -10.187 -7.254 1.00 1.31 C ATOM 187 CG ASN A 53 -9.179 -11.293 -6.299 1.00 1.88 C ATOM 188 OD1 ASN A 53 -8.080 -11.286 -5.746 1.00 2.59 O ATOM 189 ND2 ASN A 53 -10.068 -12.251 -6.094 1.00 2.43 N ATOM 0 H ASN A 53 -10.644 -8.387 -5.656 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.932 -8.940 -6.687 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -10.669 -10.116 -7.281 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -9.254 -10.446 -8.261 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -9.853 -13.019 -5.458 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -10.969 -12.221 -6.571 1.00 2.43 H new ATOM 196 N LEU A 54 -10.244 -7.016 -7.859 1.00 1.12 N ATOM 197 CA LEU A 54 -10.598 -6.014 -8.844 1.00 1.15 C ATOM 198 C LEU A 54 -9.587 -4.868 -8.839 1.00 1.13 C ATOM 199 O LEU A 54 -8.731 -4.788 -7.958 1.00 1.13 O ATOM 200 CB LEU A 54 -11.987 -5.492 -8.505 1.00 1.18 C ATOM 201 CG LEU A 54 -12.938 -5.325 -9.677 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.158 -6.645 -10.390 1.00 1.28 C ATOM 203 CD2 LEU A 54 -14.248 -4.778 -9.170 1.00 1.81 C ATOM 0 H LEU A 54 -10.855 -7.025 -7.042 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.591 -6.456 -9.841 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.444 -6.172 -7.786 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.880 -4.527 -8.009 1.00 1.18 H new ATOM 0 HG LEU A 54 -12.502 -4.630 -10.395 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -13.843 -6.498 -11.225 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.205 -7.020 -10.764 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.584 -7.368 -9.694 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -14.938 -4.654 -10.005 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -14.675 -5.471 -8.445 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -14.079 -3.813 -8.693 1.00 1.81 H new ATOM 215 N THR A 55 -9.684 -3.990 -9.828 1.00 1.16 N ATOM 216 CA THR A 55 -8.799 -2.836 -9.919 1.00 1.21 C ATOM 217 C THR A 55 -9.185 -1.775 -8.885 1.00 1.14 C ATOM 218 O THR A 55 -10.351 -1.694 -8.504 1.00 1.09 O ATOM 219 CB THR A 55 -8.838 -2.225 -11.333 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.186 -1.909 -11.689 1.00 1.30 O ATOM 221 CG2 THR A 55 -8.269 -3.191 -12.355 1.00 1.40 C ATOM 0 H THR A 55 -10.369 -4.055 -10.581 1.00 1.16 H new ATOM 0 HA THR A 55 -7.785 -3.177 -9.713 1.00 1.21 H new ATOM 0 HB THR A 55 -8.233 -1.319 -11.327 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.204 -1.519 -12.588 1.00 1.30 H new ATOM 0 HG21 THR A 55 -8.307 -2.737 -13.345 1.00 1.40 H new ATOM 0 HG22 THR A 55 -7.234 -3.421 -12.101 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.856 -4.109 -12.354 1.00 1.40 H new ATOM 229 N PRO A 56 -8.223 -0.954 -8.420 1.00 1.18 N ATOM 230 CA PRO A 56 -8.434 -0.008 -7.310 1.00 1.10 C ATOM 231 C PRO A 56 -9.700 0.840 -7.459 1.00 1.05 C ATOM 232 O PRO A 56 -10.453 1.023 -6.498 1.00 0.97 O ATOM 233 CB PRO A 56 -7.184 0.886 -7.341 1.00 1.21 C ATOM 234 CG PRO A 56 -6.456 0.537 -8.599 1.00 1.38 C ATOM 235 CD PRO A 56 -6.855 -0.868 -8.944 1.00 1.34 C ATOM 0 HA PRO A 56 -8.574 -0.541 -6.370 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.459 1.941 -7.330 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.557 0.710 -6.467 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.719 1.224 -9.403 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.378 0.611 -8.457 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.821 -1.046 -10.019 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.197 -1.602 -8.479 1.00 1.34 H new ATOM 243 N ASP A 57 -9.951 1.314 -8.671 1.00 1.13 N ATOM 244 CA ASP A 57 -11.082 2.198 -8.936 1.00 1.14 C ATOM 245 C ASP A 57 -12.382 1.414 -8.871 1.00 1.07 C ATOM 246 O ASP A 57 -13.368 1.864 -8.285 1.00 1.05 O ATOM 247 CB ASP A 57 -10.929 2.863 -10.305 1.00 1.30 C ATOM 248 CG ASP A 57 -12.138 3.686 -10.697 1.00 1.61 C ATOM 249 OD1 ASP A 57 -12.340 4.770 -10.107 1.00 1.67 O ATOM 250 OD2 ASP A 57 -12.909 3.243 -11.574 1.00 2.15 O ATOM 0 H ASP A 57 -9.384 1.101 -9.492 1.00 1.13 H new ATOM 0 HA ASP A 57 -11.104 2.978 -8.175 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -10.047 3.503 -10.296 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -10.758 2.095 -11.060 1.00 1.30 H new ATOM 255 N GLU A 58 -12.360 0.226 -9.456 1.00 1.09 N ATOM 256 CA GLU A 58 -13.490 -0.684 -9.404 1.00 1.05 C ATOM 257 C GLU A 58 -13.798 -1.047 -7.960 1.00 0.93 C ATOM 258 O GLU A 58 -14.958 -1.142 -7.558 1.00 0.93 O ATOM 259 CB GLU A 58 -13.166 -1.947 -10.191 1.00 1.12 C ATOM 260 CG GLU A 58 -13.164 -1.764 -11.684 1.00 1.26 C ATOM 261 CD GLU A 58 -14.557 -1.686 -12.263 1.00 1.83 C ATOM 262 OE1 GLU A 58 -15.255 -2.720 -12.282 1.00 2.54 O ATOM 263 OE2 GLU A 58 -14.967 -0.592 -12.698 1.00 2.17 O ATOM 0 H GLU A 58 -11.560 -0.132 -9.978 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.361 -0.197 -9.843 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -12.187 -2.313 -9.881 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -13.892 -2.718 -9.932 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -12.620 -0.853 -11.934 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -12.628 -2.593 -12.147 1.00 1.26 H new ATOM 270 N VAL A 59 -12.737 -1.230 -7.184 1.00 0.86 N ATOM 271 CA VAL A 59 -12.855 -1.563 -5.770 1.00 0.75 C ATOM 272 C VAL A 59 -13.586 -0.465 -5.028 1.00 0.71 C ATOM 273 O VAL A 59 -14.595 -0.701 -4.361 1.00 0.71 O ATOM 274 CB VAL A 59 -11.468 -1.732 -5.117 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.589 -1.902 -3.606 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.725 -2.906 -5.731 1.00 0.82 C ATOM 0 H VAL A 59 -11.775 -1.152 -7.515 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.407 -2.501 -5.707 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.895 -0.825 -5.308 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.596 -2.019 -3.172 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.070 -1.023 -3.178 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.187 -2.786 -3.386 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.749 -3.008 -5.256 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.299 -3.820 -5.579 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.593 -2.734 -6.799 1.00 0.82 H new ATOM 286 N SER A 60 -13.065 0.736 -5.168 1.00 0.70 N ATOM 287 CA SER A 60 -13.530 1.872 -4.412 1.00 0.70 C ATOM 288 C SER A 60 -14.951 2.276 -4.808 1.00 0.74 C ATOM 289 O SER A 60 -15.741 2.692 -3.958 1.00 0.72 O ATOM 290 CB SER A 60 -12.560 3.027 -4.612 1.00 0.76 C ATOM 291 OG SER A 60 -12.165 3.584 -3.371 1.00 0.97 O ATOM 0 H SER A 60 -12.304 0.949 -5.813 1.00 0.70 H new ATOM 0 HA SER A 60 -13.566 1.601 -3.357 1.00 0.70 H new ATOM 0 HB2 SER A 60 -11.681 2.678 -5.153 1.00 0.76 H new ATOM 0 HB3 SER A 60 -13.028 3.796 -5.227 1.00 0.76 H new ATOM 0 HG SER A 60 -12.614 3.109 -2.641 1.00 0.97 H new ATOM 297 N LYS A 61 -15.279 2.143 -6.090 1.00 0.87 N ATOM 298 CA LYS A 61 -16.619 2.465 -6.557 1.00 0.96 C ATOM 299 C LYS A 61 -17.640 1.468 -6.017 1.00 0.94 C ATOM 300 O LYS A 61 -18.762 1.839 -5.672 1.00 1.01 O ATOM 301 CB LYS A 61 -16.700 2.488 -8.085 1.00 1.10 C ATOM 302 CG LYS A 61 -15.991 3.662 -8.737 1.00 1.17 C ATOM 303 CD LYS A 61 -16.292 3.719 -10.227 1.00 1.36 C ATOM 304 CE LYS A 61 -15.529 4.833 -10.926 1.00 2.01 C ATOM 305 NZ LYS A 61 -15.910 6.177 -10.427 1.00 2.54 N ATOM 0 H LYS A 61 -14.641 1.818 -6.816 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.850 3.462 -6.182 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -16.274 1.562 -8.472 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -17.749 2.504 -8.380 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -16.306 4.591 -8.263 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.916 3.574 -8.582 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -16.036 2.763 -10.684 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -17.362 3.866 -10.374 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -14.459 4.684 -10.781 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -15.715 4.780 -11.999 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -15.441 6.906 -11.001 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -16.941 6.293 -10.495 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -15.616 6.275 -9.434 1.00 2.54 H new ATOM 319 N ARG A 62 -17.248 0.196 -5.961 1.00 0.88 N ATOM 320 CA ARG A 62 -18.119 -0.860 -5.454 1.00 0.89 C ATOM 321 C ARG A 62 -18.516 -0.605 -4.006 1.00 0.77 C ATOM 322 O ARG A 62 -19.656 -0.858 -3.610 1.00 0.82 O ATOM 323 CB ARG A 62 -17.442 -2.230 -5.568 1.00 0.93 C ATOM 324 CG ARG A 62 -17.517 -2.834 -6.955 1.00 1.21 C ATOM 325 CD ARG A 62 -16.814 -4.176 -7.029 1.00 1.21 C ATOM 326 NE ARG A 62 -17.288 -5.116 -6.011 1.00 1.85 N ATOM 327 CZ ARG A 62 -16.793 -6.343 -5.837 1.00 2.40 C ATOM 328 NH1 ARG A 62 -15.821 -6.790 -6.625 1.00 2.53 N ATOM 329 NH2 ARG A 62 -17.274 -7.120 -4.877 1.00 3.33 N ATOM 0 H ARG A 62 -16.329 -0.128 -6.262 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.020 -0.856 -6.067 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.395 -2.133 -5.280 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -17.906 -2.915 -4.858 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -18.562 -2.956 -7.241 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.067 -2.149 -7.674 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.968 -4.609 -8.018 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -15.741 -4.027 -6.909 1.00 1.21 H new ATOM 0 HE ARG A 62 -18.044 -4.814 -5.396 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -15.451 -6.195 -7.366 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -15.445 -7.728 -6.489 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -18.022 -6.780 -4.272 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -16.897 -8.058 -4.743 1.00 3.33 H new ATOM 343 N GLU A 63 -17.579 -0.104 -3.219 1.00 0.68 N ATOM 344 CA GLU A 63 -17.838 0.150 -1.812 1.00 0.63 C ATOM 345 C GLU A 63 -18.558 1.483 -1.596 1.00 0.66 C ATOM 346 O GLU A 63 -19.664 1.500 -1.057 1.00 0.73 O ATOM 347 CB GLU A 63 -16.547 0.080 -1.003 1.00 0.59 C ATOM 348 CG GLU A 63 -15.355 0.735 -1.666 1.00 0.58 C ATOM 349 CD GLU A 63 -14.254 1.007 -0.680 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.180 0.331 0.337 1.00 1.21 O ATOM 351 OE2 GLU A 63 -13.416 1.873 -1.008 1.00 1.25 O ATOM 0 H GLU A 63 -16.637 0.134 -3.528 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.506 -0.634 -1.454 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.714 0.553 -0.035 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.310 -0.966 -0.810 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -14.981 0.091 -2.462 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.666 1.670 -2.133 1.00 0.58 H new ATOM 358 N GLY A 64 -17.954 2.596 -2.013 1.00 0.69 N ATOM 359 CA GLY A 64 -18.633 3.874 -1.875 1.00 0.74 C ATOM 360 C GLY A 64 -17.719 5.041 -1.531 1.00 0.72 C ATOM 361 O GLY A 64 -17.854 6.117 -2.113 1.00 0.86 O ATOM 0 H GLY A 64 -17.026 2.636 -2.435 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.152 4.098 -2.807 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.394 3.785 -1.100 1.00 0.74 H new ATOM 365 N ILE A 65 -16.805 4.850 -0.581 1.00 0.62 N ATOM 366 CA ILE A 65 -15.943 5.947 -0.126 1.00 0.67 C ATOM 367 C ILE A 65 -15.096 6.528 -1.253 1.00 0.81 C ATOM 368 O ILE A 65 -14.880 7.738 -1.317 1.00 1.76 O ATOM 369 CB ILE A 65 -15.011 5.537 1.037 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.289 4.226 0.730 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.789 5.423 2.330 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.441 3.713 1.876 1.00 0.49 C ATOM 0 H ILE A 65 -16.641 3.958 -0.114 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.633 6.711 0.233 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.259 6.317 1.152 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.027 3.468 0.469 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.654 4.368 -0.145 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.115 5.133 3.136 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.245 6.384 2.566 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.568 4.669 2.220 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -12.960 2.780 1.583 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.679 4.452 2.124 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.073 3.538 2.747 1.00 0.49 H new ATOM 384 N ASN A 66 -14.613 5.648 -2.129 1.00 0.75 N ATOM 385 CA ASN A 66 -13.799 6.044 -3.278 1.00 0.69 C ATOM 386 C ASN A 66 -12.518 6.761 -2.855 1.00 0.61 C ATOM 387 O ASN A 66 -11.886 7.430 -3.667 1.00 0.64 O ATOM 388 CB ASN A 66 -14.589 6.933 -4.239 1.00 0.83 C ATOM 389 CG ASN A 66 -15.578 6.156 -5.084 1.00 1.38 C ATOM 390 OD1 ASN A 66 -15.240 5.661 -6.158 1.00 2.09 O ATOM 391 ND2 ASN A 66 -16.808 6.057 -4.617 1.00 2.10 N ATOM 0 H ASN A 66 -14.774 4.643 -2.063 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.522 5.123 -3.790 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -15.124 7.691 -3.667 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -13.894 7.459 -4.894 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -17.518 5.556 -5.152 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -17.049 6.482 -3.721 1.00 2.10 H new ATOM 398 N ALA A 67 -12.145 6.636 -1.585 1.00 0.54 N ATOM 399 CA ALA A 67 -10.948 7.306 -1.076 1.00 0.49 C ATOM 400 C ALA A 67 -9.671 6.621 -1.561 1.00 0.44 C ATOM 401 O ALA A 67 -9.706 5.482 -2.022 1.00 0.45 O ATOM 402 CB ALA A 67 -10.980 7.344 0.439 1.00 0.47 C ATOM 0 H ALA A 67 -12.648 6.082 -0.892 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.944 8.325 -1.463 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.085 7.844 0.809 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.864 7.889 0.771 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.014 6.326 0.828 1.00 0.47 H new ATOM 408 N GLU A 68 -8.544 7.323 -1.440 1.00 0.44 N ATOM 409 CA GLU A 68 -7.253 6.784 -1.864 1.00 0.42 C ATOM 410 C GLU A 68 -6.837 5.619 -0.983 1.00 0.34 C ATOM 411 O GLU A 68 -6.974 5.677 0.238 1.00 0.35 O ATOM 412 CB GLU A 68 -6.172 7.856 -1.820 1.00 0.50 C ATOM 413 CG GLU A 68 -6.337 8.920 -2.886 1.00 0.78 C ATOM 414 CD GLU A 68 -6.365 8.349 -4.291 1.00 1.79 C ATOM 415 OE1 GLU A 68 -5.408 7.646 -4.676 1.00 2.28 O ATOM 416 OE2 GLU A 68 -7.331 8.626 -5.030 1.00 2.59 O ATOM 0 H GLU A 68 -8.500 8.265 -1.052 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.368 6.435 -2.890 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -6.181 8.331 -0.839 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.197 7.383 -1.937 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -7.261 9.469 -2.704 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.519 9.636 -2.807 1.00 0.78 H new ATOM 423 N GLN A 69 -6.299 4.583 -1.606 1.00 0.31 N ATOM 424 CA GLN A 69 -5.958 3.358 -0.897 1.00 0.24 C ATOM 425 C GLN A 69 -4.568 3.459 -0.285 1.00 0.21 C ATOM 426 O GLN A 69 -3.562 3.395 -0.989 1.00 0.27 O ATOM 427 CB GLN A 69 -6.053 2.158 -1.841 1.00 0.29 C ATOM 428 CG GLN A 69 -7.443 1.984 -2.426 1.00 0.43 C ATOM 429 CD GLN A 69 -7.562 0.804 -3.370 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.597 0.401 -4.019 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.765 0.257 -3.468 1.00 0.76 N ATOM 0 H GLN A 69 -6.088 4.565 -2.604 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.671 3.215 -0.085 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.334 2.280 -2.651 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.774 1.253 -1.301 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -8.158 1.861 -1.612 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.720 2.894 -2.959 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.538 0.622 -2.912 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -8.918 -0.529 -4.100 1.00 0.76 H new ATOM 440 N ILE A 70 -4.528 3.629 1.032 1.00 0.19 N ATOM 441 CA ILE A 70 -3.275 3.809 1.749 1.00 0.17 C ATOM 442 C ILE A 70 -2.810 2.495 2.373 1.00 0.14 C ATOM 443 O ILE A 70 -3.285 2.092 3.431 1.00 0.14 O ATOM 444 CB ILE A 70 -3.424 4.887 2.842 1.00 0.21 C ATOM 445 CG1 ILE A 70 -4.004 6.160 2.217 1.00 0.27 C ATOM 446 CG2 ILE A 70 -2.078 5.170 3.505 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.316 7.256 3.208 1.00 0.36 C ATOM 0 H ILE A 70 -5.357 3.646 1.627 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.524 4.137 1.031 1.00 0.17 H new ATOM 0 HB ILE A 70 -4.103 4.528 3.615 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.297 6.543 1.481 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.917 5.903 1.679 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.204 5.933 4.273 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.698 4.256 3.961 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.370 5.523 2.755 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.722 8.119 2.680 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -5.048 6.895 3.931 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.404 7.546 3.729 1.00 0.36 H new ATOM 459 N VAL A 71 -1.888 1.829 1.696 1.00 0.15 N ATOM 460 CA VAL A 71 -1.364 0.545 2.140 1.00 0.15 C ATOM 461 C VAL A 71 -0.614 0.692 3.466 1.00 0.14 C ATOM 462 O VAL A 71 0.436 1.331 3.530 1.00 0.17 O ATOM 463 CB VAL A 71 -0.416 -0.066 1.083 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.162 -1.384 1.564 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.122 -0.258 -0.250 1.00 0.20 C ATOM 0 H VAL A 71 -1.481 2.163 0.822 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.215 -0.122 2.280 1.00 0.15 H new ATOM 0 HB VAL A 71 0.403 0.639 0.937 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.825 -1.791 0.800 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.724 -1.221 2.483 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.648 -2.089 1.754 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.427 -0.689 -0.971 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.971 -0.928 -0.119 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.474 0.706 -0.617 1.00 0.20 H new ATOM 475 N ILE A 72 -1.172 0.114 4.521 1.00 0.14 N ATOM 476 CA ILE A 72 -0.545 0.143 5.836 1.00 0.17 C ATOM 477 C ILE A 72 0.268 -1.122 6.073 1.00 0.22 C ATOM 478 O ILE A 72 1.230 -1.123 6.837 1.00 0.29 O ATOM 479 CB ILE A 72 -1.590 0.285 6.957 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.676 -0.783 6.790 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.188 1.685 6.946 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.639 -0.873 7.949 1.00 0.21 C ATOM 0 H ILE A 72 -2.062 -0.383 4.491 1.00 0.14 H new ATOM 0 HA ILE A 72 0.113 1.011 5.857 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.107 0.136 7.923 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.239 -0.574 5.880 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.198 -1.753 6.653 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.926 1.772 7.744 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.398 2.419 7.101 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.670 1.867 5.985 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.375 -1.652 7.751 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.091 -1.115 8.860 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.148 0.083 8.074 1.00 0.21 H new ATOM 494 N LYS A 73 -0.130 -2.197 5.409 1.00 0.21 N ATOM 495 CA LYS A 73 0.568 -3.468 5.510 1.00 0.26 C ATOM 496 C LYS A 73 0.773 -4.060 4.132 1.00 0.24 C ATOM 497 O LYS A 73 -0.106 -3.967 3.278 1.00 0.25 O ATOM 498 CB LYS A 73 -0.218 -4.457 6.372 1.00 0.35 C ATOM 499 CG LYS A 73 0.187 -5.911 6.150 1.00 0.41 C ATOM 500 CD LYS A 73 -0.571 -6.883 7.039 1.00 0.59 C ATOM 501 CE LYS A 73 -0.110 -6.845 8.496 1.00 1.22 C ATOM 502 NZ LYS A 73 -0.455 -5.572 9.183 1.00 1.94 N ATOM 0 H LYS A 73 -0.940 -2.213 4.789 1.00 0.21 H new ATOM 0 HA LYS A 73 1.535 -3.284 5.979 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.076 -4.205 7.423 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.281 -4.347 6.159 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.017 -6.174 5.106 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.256 -6.017 6.335 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.635 -6.653 6.995 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.447 -7.894 6.651 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -0.562 -7.677 9.036 1.00 1.22 H new ATOM 0 HE3 LYS A 73 0.970 -6.990 8.533 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -0.701 -5.768 10.174 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 0.361 -4.927 9.150 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -1.266 -5.129 8.706 1.00 1.94 H new ATOM 516 N ILE A 74 1.919 -4.682 3.931 1.00 0.28 N ATOM 517 CA ILE A 74 2.217 -5.336 2.668 1.00 0.31 C ATOM 518 C ILE A 74 2.622 -6.780 2.909 1.00 0.38 C ATOM 519 O ILE A 74 3.177 -7.116 3.956 1.00 0.41 O ATOM 520 CB ILE A 74 3.373 -4.676 1.890 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.387 -3.158 2.028 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.277 -5.060 0.421 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.671 -2.543 1.514 1.00 0.44 C ATOM 0 H ILE A 74 2.662 -4.749 4.627 1.00 0.28 H new ATOM 0 HA ILE A 74 1.304 -5.254 2.079 1.00 0.31 H new ATOM 0 HB ILE A 74 4.305 -5.042 2.320 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.542 -2.739 1.481 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.253 -2.890 3.076 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.093 -4.594 -0.131 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.344 -6.143 0.323 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.324 -4.718 0.017 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.630 -1.461 1.635 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.515 -2.939 2.078 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.794 -2.786 0.458 1.00 0.44 H new ATOM 535 N THR A 75 2.340 -7.617 1.931 1.00 0.45 N ATOM 536 CA THR A 75 2.810 -8.987 1.900 1.00 0.54 C ATOM 537 C THR A 75 3.167 -9.317 0.454 1.00 0.60 C ATOM 538 O THR A 75 2.956 -8.486 -0.428 1.00 0.71 O ATOM 539 CB THR A 75 1.737 -9.966 2.423 1.00 0.69 C ATOM 540 OG1 THR A 75 0.515 -9.783 1.696 1.00 0.79 O ATOM 541 CG2 THR A 75 1.482 -9.764 3.914 1.00 0.72 C ATOM 0 H THR A 75 1.770 -7.361 1.125 1.00 0.45 H new ATOM 0 HA THR A 75 3.679 -9.092 2.550 1.00 0.54 H new ATOM 0 HB THR A 75 2.105 -10.981 2.274 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.581 -8.977 1.143 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.722 -10.468 4.252 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.406 -9.934 4.467 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.136 -8.745 4.089 1.00 0.72 H new ATOM 549 N ASP A 76 3.704 -10.492 0.180 1.00 0.70 N ATOM 550 CA ASP A 76 4.015 -10.833 -1.202 1.00 0.82 C ATOM 551 C ASP A 76 2.775 -11.352 -1.926 1.00 0.90 C ATOM 552 O ASP A 76 2.787 -11.520 -3.144 1.00 1.08 O ATOM 553 CB ASP A 76 5.181 -11.826 -1.309 1.00 1.00 C ATOM 554 CG ASP A 76 4.943 -13.135 -0.591 1.00 1.46 C ATOM 555 OD1 ASP A 76 4.141 -13.950 -1.096 1.00 2.01 O ATOM 556 OD2 ASP A 76 5.543 -13.355 0.480 1.00 2.15 O ATOM 0 H ASP A 76 3.929 -11.209 0.870 1.00 0.70 H new ATOM 0 HA ASP A 76 4.339 -9.916 -1.695 1.00 0.82 H new ATOM 0 HB2 ASP A 76 5.374 -12.031 -2.362 1.00 1.00 H new ATOM 0 HB3 ASP A 76 6.080 -11.360 -0.905 1.00 1.00 H new ATOM 561 N GLN A 77 1.692 -11.577 -1.180 1.00 0.94 N ATOM 562 CA GLN A 77 0.425 -11.962 -1.797 1.00 1.14 C ATOM 563 C GLN A 77 -0.345 -10.716 -2.216 1.00 1.11 C ATOM 564 O GLN A 77 -1.098 -10.729 -3.188 1.00 1.49 O ATOM 565 CB GLN A 77 -0.461 -12.776 -0.841 1.00 1.36 C ATOM 566 CG GLN A 77 0.174 -14.026 -0.262 1.00 1.89 C ATOM 567 CD GLN A 77 0.981 -13.758 0.991 1.00 2.52 C ATOM 568 OE1 GLN A 77 0.440 -13.736 2.096 1.00 2.98 O ATOM 569 NE2 GLN A 77 2.281 -13.597 0.842 1.00 3.19 N ATOM 0 H GLN A 77 1.667 -11.500 -0.163 1.00 0.94 H new ATOM 0 HA GLN A 77 0.666 -12.581 -2.661 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -0.765 -12.130 -0.017 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.368 -13.064 -1.372 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -0.607 -14.751 -0.035 1.00 1.89 H new ATOM 0 HG3 GLN A 77 0.821 -14.479 -1.013 1.00 1.89 H new ATOM 0 HE21 GLN A 77 2.694 -13.621 -0.090 1.00 3.19 H new ATOM 0 HE22 GLN A 77 2.873 -13.448 1.659 1.00 3.19 H new ATOM 578 N GLY A 78 -0.116 -9.633 -1.488 1.00 0.78 N ATOM 579 CA GLY A 78 -0.849 -8.404 -1.705 1.00 0.78 C ATOM 580 C GLY A 78 -0.624 -7.437 -0.564 1.00 0.72 C ATOM 581 O GLY A 78 0.472 -7.375 -0.016 1.00 0.99 O ATOM 0 H GLY A 78 0.576 -9.585 -0.740 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.533 -7.947 -2.643 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -1.913 -8.621 -1.799 1.00 0.78 H new ATOM 585 N TYR A 79 -1.651 -6.704 -0.172 1.00 0.43 N ATOM 586 CA TYR A 79 -1.509 -5.745 0.915 1.00 0.36 C ATOM 587 C TYR A 79 -2.836 -5.452 1.580 1.00 0.28 C ATOM 588 O TYR A 79 -3.880 -5.962 1.177 1.00 0.28 O ATOM 589 CB TYR A 79 -0.894 -4.436 0.417 1.00 0.40 C ATOM 590 CG TYR A 79 -1.588 -3.826 -0.779 1.00 1.14 C ATOM 591 CD1 TYR A 79 -2.841 -3.284 -0.632 1.00 1.23 C ATOM 592 CD2 TYR A 79 -1.004 -3.792 -2.035 1.00 2.36 C ATOM 593 CE1 TYR A 79 -3.512 -2.718 -1.694 1.00 1.86 C ATOM 594 CE2 TYR A 79 -1.666 -3.229 -3.110 1.00 3.09 C ATOM 595 CZ TYR A 79 -2.803 -2.721 -3.015 1.00 2.67 C ATOM 596 OH TYR A 79 -3.584 -2.125 -3.993 1.00 3.47 O ATOM 0 H TYR A 79 -2.583 -6.751 -0.583 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.844 -6.199 1.650 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -0.903 -3.713 1.233 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.150 -4.615 0.161 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.312 -3.302 0.340 1.00 1.23 H new ATOM 0 HD2 TYR A 79 -0.019 -4.211 -2.176 1.00 2.36 H new ATOM 0 HE1 TYR A 79 -4.499 -2.294 -1.581 1.00 1.86 H new ATOM 0 HE2 TYR A 79 -1.179 -3.228 -4.074 1.00 3.09 H new ATOM 0 HH TYR A 79 -4.195 -2.790 -4.374 1.00 3.47 H new ATOM 606 N VAL A 80 -2.782 -4.625 2.609 1.00 0.29 N ATOM 607 CA VAL A 80 -3.978 -4.156 3.269 1.00 0.27 C ATOM 608 C VAL A 80 -3.939 -2.637 3.354 1.00 0.21 C ATOM 609 O VAL A 80 -2.977 -2.059 3.868 1.00 0.19 O ATOM 610 CB VAL A 80 -4.135 -4.759 4.686 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.490 -4.412 5.283 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.934 -6.268 4.655 1.00 0.40 C ATOM 0 H VAL A 80 -1.914 -4.265 3.005 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.837 -4.480 2.682 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.365 -4.322 5.322 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.572 -4.849 6.278 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.590 -3.329 5.353 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.281 -4.809 4.646 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -4.049 -6.671 5.661 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.675 -6.720 3.996 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.934 -6.494 4.285 1.00 0.40 H new ATOM 622 N THR A 81 -4.968 -1.997 2.835 1.00 0.22 N ATOM 623 CA THR A 81 -5.006 -0.549 2.759 1.00 0.22 C ATOM 624 C THR A 81 -5.926 0.038 3.816 1.00 0.22 C ATOM 625 O THR A 81 -7.027 -0.457 4.030 1.00 0.35 O ATOM 626 CB THR A 81 -5.499 -0.086 1.374 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.713 -0.770 1.034 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.457 -0.345 0.300 1.00 0.40 C ATOM 0 H THR A 81 -5.794 -2.460 2.457 1.00 0.22 H new ATOM 0 HA THR A 81 -3.989 -0.197 2.929 1.00 0.22 H new ATOM 0 HB THR A 81 -5.680 0.988 1.426 1.00 0.32 H new ATOM 0 HG1 THR A 81 -7.022 -0.470 0.154 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.837 -0.007 -0.664 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.543 0.198 0.541 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.242 -1.413 0.251 1.00 0.40 H new ATOM 636 N SER A 82 -5.475 1.088 4.474 1.00 0.19 N ATOM 637 CA SER A 82 -6.341 1.860 5.337 1.00 0.20 C ATOM 638 C SER A 82 -6.860 3.036 4.536 1.00 0.24 C ATOM 639 O SER A 82 -6.236 4.097 4.491 1.00 0.29 O ATOM 640 CB SER A 82 -5.594 2.352 6.580 1.00 0.25 C ATOM 641 OG SER A 82 -6.472 3.022 7.472 1.00 1.19 O ATOM 0 H SER A 82 -4.513 1.424 4.426 1.00 0.19 H new ATOM 0 HA SER A 82 -7.164 1.236 5.685 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.130 1.506 7.088 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.790 3.025 6.282 1.00 0.25 H new ATOM 0 HG SER A 82 -6.944 2.363 8.023 1.00 1.19 H new ATOM 647 N HIS A 83 -7.986 2.843 3.883 1.00 0.24 N ATOM 648 CA HIS A 83 -8.496 3.859 2.997 1.00 0.30 C ATOM 649 C HIS A 83 -9.909 4.251 3.396 1.00 0.29 C ATOM 650 O HIS A 83 -10.638 3.464 4.008 1.00 0.27 O ATOM 651 CB HIS A 83 -8.397 3.404 1.525 1.00 0.33 C ATOM 652 CG HIS A 83 -9.439 2.434 1.066 1.00 0.32 C ATOM 653 ND1 HIS A 83 -9.786 2.241 -0.268 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.251 1.629 1.781 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.792 1.351 -0.300 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.088 0.985 0.910 1.00 0.33 N ATOM 0 H HIS A 83 -8.558 2.001 3.949 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.879 4.753 3.089 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.446 4.287 0.888 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.417 2.954 1.370 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.242 1.513 2.855 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.280 0.995 -1.195 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.823 0.327 1.169 1.00 0.33 H new ATOM 664 N GLY A 84 -10.275 5.480 3.083 1.00 0.35 N ATOM 665 CA GLY A 84 -11.574 5.980 3.465 1.00 0.36 C ATOM 666 C GLY A 84 -11.691 6.146 4.960 1.00 0.36 C ATOM 667 O GLY A 84 -11.320 7.179 5.503 1.00 0.42 O ATOM 0 H GLY A 84 -9.694 6.143 2.570 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.753 6.938 2.977 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.345 5.295 3.114 1.00 0.36 H new ATOM 671 N ASP A 85 -12.214 5.128 5.618 1.00 0.33 N ATOM 672 CA ASP A 85 -12.384 5.152 7.064 1.00 0.36 C ATOM 673 C ASP A 85 -11.902 3.845 7.692 1.00 0.33 C ATOM 674 O ASP A 85 -11.764 3.735 8.913 1.00 0.38 O ATOM 675 CB ASP A 85 -13.862 5.399 7.391 1.00 0.42 C ATOM 676 CG ASP A 85 -14.188 5.280 8.868 1.00 0.89 C ATOM 677 OD1 ASP A 85 -13.633 6.065 9.668 1.00 0.85 O ATOM 678 OD2 ASP A 85 -14.979 4.390 9.243 1.00 1.59 O ATOM 0 H ASP A 85 -12.531 4.267 5.173 1.00 0.33 H new ATOM 0 HA ASP A 85 -11.781 5.958 7.482 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.140 6.395 7.046 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.472 4.687 6.835 1.00 0.42 H new ATOM 683 N HIS A 86 -11.601 2.862 6.856 1.00 0.29 N ATOM 684 CA HIS A 86 -11.396 1.504 7.343 1.00 0.27 C ATOM 685 C HIS A 86 -10.156 0.845 6.773 1.00 0.23 C ATOM 686 O HIS A 86 -9.433 1.421 5.961 1.00 0.21 O ATOM 687 CB HIS A 86 -12.621 0.645 7.018 1.00 0.29 C ATOM 688 CG HIS A 86 -12.993 0.615 5.561 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.259 0.939 5.087 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.262 0.243 4.466 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.263 0.748 3.759 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.096 0.326 3.363 1.00 0.28 N ATOM 0 H HIS A 86 -11.494 2.976 5.848 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.253 1.579 8.421 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.433 -0.375 7.353 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.472 1.017 7.590 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.045 1.264 5.649 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.225 -0.060 4.462 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.111 0.919 3.112 1.00 0.30 H new ATOM 700 N TYR A 87 -9.924 -0.374 7.234 1.00 0.24 N ATOM 701 CA TYR A 87 -8.879 -1.216 6.694 1.00 0.22 C ATOM 702 C TYR A 87 -9.499 -2.158 5.680 1.00 0.22 C ATOM 703 O TYR A 87 -10.496 -2.819 5.967 1.00 0.26 O ATOM 704 CB TYR A 87 -8.200 -2.018 7.809 1.00 0.25 C ATOM 705 CG TYR A 87 -7.691 -1.161 8.942 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.086 0.050 8.679 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.816 -1.558 10.268 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.618 0.851 9.689 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.347 -0.760 11.295 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.747 0.447 10.998 1.00 0.40 C ATOM 711 OH TYR A 87 -6.277 1.254 12.012 1.00 0.46 O ATOM 0 H TYR A 87 -10.456 -0.803 7.991 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.120 -0.596 6.217 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.908 -2.747 8.205 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.367 -2.580 7.386 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.978 0.375 7.655 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.286 -2.503 10.499 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.150 1.796 9.458 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.449 -1.079 12.322 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.446 0.825 12.877 1.00 0.46 H new ATOM 721 N HIS A 88 -8.919 -2.218 4.504 1.00 0.21 N ATOM 722 CA HIS A 88 -9.459 -3.030 3.438 1.00 0.25 C ATOM 723 C HIS A 88 -8.366 -3.931 2.883 1.00 0.26 C ATOM 724 O HIS A 88 -7.276 -3.462 2.551 1.00 0.28 O ATOM 725 CB HIS A 88 -10.040 -2.131 2.338 1.00 0.29 C ATOM 726 CG HIS A 88 -11.180 -2.760 1.602 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.300 -2.065 1.234 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.345 -4.047 1.197 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.118 -2.894 0.636 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.582 -4.123 0.585 1.00 0.51 N ATOM 0 H HIS A 88 -8.068 -1.711 4.260 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.263 -3.656 3.825 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.376 -1.195 2.783 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.252 -1.881 1.628 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.643 -4.857 1.328 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.087 -2.627 0.240 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -13.006 -4.954 0.173 1.00 0.51 H new ATOM 738 N TYR A 89 -8.653 -5.219 2.793 1.00 0.28 N ATOM 739 CA TYR A 89 -7.665 -6.195 2.360 1.00 0.31 C ATOM 740 C TYR A 89 -7.665 -6.288 0.835 1.00 0.36 C ATOM 741 O TYR A 89 -8.716 -6.214 0.201 1.00 0.44 O ATOM 742 CB TYR A 89 -7.982 -7.558 2.981 1.00 0.45 C ATOM 743 CG TYR A 89 -6.764 -8.403 3.289 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.760 -8.588 2.352 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.631 -9.030 4.521 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.661 -9.368 2.625 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.529 -9.810 4.807 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.546 -9.979 3.855 1.00 0.53 C ATOM 749 OH TYR A 89 -3.452 -10.768 4.132 1.00 0.60 O ATOM 0 H TYR A 89 -9.566 -5.615 3.015 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.674 -5.882 2.690 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.544 -7.402 3.902 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.631 -8.111 2.302 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.842 -8.110 1.387 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -7.402 -8.905 5.267 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.891 -9.501 1.879 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -5.437 -10.286 5.772 1.00 0.62 H new ATOM 0 HH TYR A 89 -3.526 -11.122 5.043 1.00 0.60 H new ATOM 759 N TYR A 90 -6.487 -6.465 0.254 1.00 0.45 N ATOM 760 CA TYR A 90 -6.325 -6.390 -1.189 1.00 0.69 C ATOM 761 C TYR A 90 -5.301 -7.421 -1.656 1.00 0.55 C ATOM 762 O TYR A 90 -4.379 -7.776 -0.923 1.00 0.47 O ATOM 763 CB TYR A 90 -5.896 -4.967 -1.526 1.00 1.04 C ATOM 764 CG TYR A 90 -5.959 -4.539 -2.975 1.00 0.95 C ATOM 765 CD1 TYR A 90 -5.179 -5.130 -3.958 1.00 1.70 C ATOM 766 CD2 TYR A 90 -6.776 -3.480 -3.338 1.00 1.32 C ATOM 767 CE1 TYR A 90 -5.214 -4.677 -5.262 1.00 2.40 C ATOM 768 CE2 TYR A 90 -6.825 -3.027 -4.635 1.00 2.07 C ATOM 769 CZ TYR A 90 -6.041 -3.627 -5.596 1.00 2.47 C ATOM 770 OH TYR A 90 -6.070 -3.165 -6.890 1.00 3.42 O ATOM 0 H TYR A 90 -5.626 -6.662 0.764 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.257 -6.619 -1.705 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.517 -4.283 -0.947 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -4.870 -4.835 -1.182 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -4.534 -5.957 -3.700 1.00 1.70 H new ATOM 0 HD2 TYR A 90 -7.386 -3.001 -2.587 1.00 1.32 H new ATOM 0 HE1 TYR A 90 -4.597 -5.143 -6.016 1.00 2.40 H new ATOM 0 HE2 TYR A 90 -7.474 -2.205 -4.899 1.00 2.07 H new ATOM 0 HH TYR A 90 -6.838 -3.553 -7.359 1.00 3.42 H new ATOM 780 N ASN A 91 -5.473 -7.889 -2.873 1.00 0.67 N ATOM 781 CA ASN A 91 -4.653 -8.974 -3.406 1.00 0.59 C ATOM 782 C ASN A 91 -4.023 -8.555 -4.729 1.00 0.49 C ATOM 783 O ASN A 91 -4.623 -7.809 -5.503 1.00 0.69 O ATOM 784 CB ASN A 91 -5.517 -10.223 -3.617 1.00 0.85 C ATOM 785 CG ASN A 91 -4.720 -11.515 -3.715 1.00 1.27 C ATOM 786 OD1 ASN A 91 -3.577 -11.536 -4.160 1.00 1.58 O ATOM 787 ND2 ASN A 91 -5.335 -12.614 -3.308 1.00 2.04 N ATOM 0 H ASN A 91 -6.177 -7.537 -3.522 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.861 -9.200 -2.692 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -6.225 -10.306 -2.793 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.102 -10.098 -4.528 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -4.858 -13.514 -3.359 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -6.286 -12.561 -2.943 1.00 2.04 H new ATOM 794 N GLY A 92 -2.825 -9.043 -4.987 1.00 0.40 N ATOM 795 CA GLY A 92 -2.135 -8.711 -6.216 1.00 0.41 C ATOM 796 C GLY A 92 -1.009 -7.720 -6.004 1.00 0.33 C ATOM 797 O GLY A 92 -0.518 -7.553 -4.886 1.00 0.47 O ATOM 0 H GLY A 92 -2.312 -9.668 -4.365 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.733 -9.622 -6.660 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.849 -8.297 -6.928 1.00 0.41 H new ATOM 801 N LYS A 93 -0.593 -7.073 -7.084 1.00 0.40 N ATOM 802 CA LYS A 93 0.474 -6.089 -7.033 1.00 0.35 C ATOM 803 C LYS A 93 -0.062 -4.722 -6.646 1.00 0.35 C ATOM 804 O LYS A 93 -1.250 -4.433 -6.801 1.00 0.47 O ATOM 805 CB LYS A 93 1.166 -5.999 -8.389 1.00 0.36 C ATOM 806 CG LYS A 93 1.987 -7.223 -8.728 1.00 0.39 C ATOM 807 CD LYS A 93 3.133 -7.401 -7.746 1.00 0.63 C ATOM 808 CE LYS A 93 4.150 -8.414 -8.233 1.00 1.42 C ATOM 809 NZ LYS A 93 3.520 -9.670 -8.721 1.00 2.03 N ATOM 0 H LYS A 93 -0.985 -7.216 -8.015 1.00 0.40 H new ATOM 0 HA LYS A 93 1.191 -6.408 -6.276 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.413 -5.850 -9.163 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.813 -5.122 -8.401 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.350 -8.108 -8.713 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.382 -7.131 -9.740 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.625 -6.442 -7.587 1.00 0.63 H new ATOM 0 HD3 LYS A 93 2.737 -7.720 -6.782 1.00 0.63 H new ATOM 0 HE2 LYS A 93 4.741 -7.973 -9.036 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.840 -8.649 -7.422 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 4.255 -10.388 -8.882 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 2.845 -10.019 -8.010 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.018 -9.483 -9.612 1.00 2.03 H new ATOM 823 N VAL A 94 0.829 -3.885 -6.148 1.00 0.31 N ATOM 824 CA VAL A 94 0.487 -2.521 -5.791 1.00 0.29 C ATOM 825 C VAL A 94 0.451 -1.666 -7.050 1.00 0.28 C ATOM 826 O VAL A 94 1.369 -1.729 -7.862 1.00 0.30 O ATOM 827 CB VAL A 94 1.525 -1.928 -4.814 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.997 -0.660 -4.167 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.919 -2.948 -3.758 1.00 0.41 C ATOM 0 H VAL A 94 1.805 -4.130 -5.980 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.489 -2.527 -5.305 1.00 0.29 H new ATOM 0 HB VAL A 94 2.417 -1.670 -5.386 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.746 -0.261 -3.483 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.780 0.079 -4.938 1.00 0.32 H new ATOM 0 HG13 VAL A 94 0.085 -0.886 -3.614 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.651 -2.507 -3.081 1.00 0.41 H new ATOM 0 HG22 VAL A 94 1.036 -3.246 -3.193 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.353 -3.823 -4.242 1.00 0.41 H new ATOM 839 N PRO A 95 -0.611 -0.880 -7.258 1.00 0.27 N ATOM 840 CA PRO A 95 -0.683 0.014 -8.402 1.00 0.28 C ATOM 841 C PRO A 95 0.244 1.204 -8.231 1.00 0.25 C ATOM 842 O PRO A 95 0.631 1.530 -7.110 1.00 0.27 O ATOM 843 CB PRO A 95 -2.139 0.463 -8.436 1.00 0.33 C ATOM 844 CG PRO A 95 -2.641 0.287 -7.049 1.00 0.33 C ATOM 845 CD PRO A 95 -1.806 -0.794 -6.407 1.00 0.30 C ATOM 0 HA PRO A 95 -0.372 -0.474 -9.326 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.222 1.502 -8.754 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.717 -0.134 -9.141 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.561 1.219 -6.489 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.695 0.008 -7.054 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.546 -0.539 -5.380 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.341 -1.743 -6.374 1.00 0.30 H new ATOM 853 N TYR A 96 0.591 1.851 -9.324 1.00 0.26 N ATOM 854 CA TYR A 96 1.556 2.943 -9.285 1.00 0.27 C ATOM 855 C TYR A 96 1.052 4.063 -8.374 1.00 0.26 C ATOM 856 O TYR A 96 1.809 4.628 -7.584 1.00 0.30 O ATOM 857 CB TYR A 96 1.802 3.478 -10.700 1.00 0.33 C ATOM 858 CG TYR A 96 3.133 4.180 -10.875 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.477 5.279 -10.103 1.00 0.30 C ATOM 860 CD2 TYR A 96 4.046 3.737 -11.820 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.688 5.913 -10.261 1.00 0.35 C ATOM 862 CE2 TYR A 96 5.264 4.367 -11.986 1.00 0.68 C ATOM 863 CZ TYR A 96 5.582 5.455 -11.204 1.00 0.51 C ATOM 864 OH TYR A 96 6.797 6.082 -11.366 1.00 0.59 O ATOM 0 H TYR A 96 0.223 1.644 -10.252 1.00 0.26 H new ATOM 0 HA TYR A 96 2.497 2.567 -8.884 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.746 2.649 -11.405 1.00 0.33 H new ATOM 0 HB3 TYR A 96 1.001 4.171 -10.959 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.781 5.645 -9.363 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.801 2.885 -12.437 1.00 0.61 H new ATOM 0 HE1 TYR A 96 4.937 6.767 -9.648 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.964 4.008 -12.726 1.00 0.68 H new ATOM 0 HH TYR A 96 7.306 5.631 -12.072 1.00 0.59 H new ATOM 874 N ASP A 97 -0.240 4.342 -8.460 1.00 0.28 N ATOM 875 CA ASP A 97 -0.834 5.463 -7.745 1.00 0.33 C ATOM 876 C ASP A 97 -1.335 5.060 -6.357 1.00 0.32 C ATOM 877 O ASP A 97 -2.076 5.812 -5.719 1.00 0.38 O ATOM 878 CB ASP A 97 -1.995 6.046 -8.553 1.00 0.43 C ATOM 879 CG ASP A 97 -3.175 5.098 -8.647 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.133 4.160 -9.476 1.00 1.82 O ATOM 881 OD2 ASP A 97 -4.156 5.290 -7.904 1.00 1.07 O ATOM 0 H ASP A 97 -0.901 3.804 -9.021 1.00 0.28 H new ATOM 0 HA ASP A 97 -0.054 6.213 -7.616 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -2.320 6.980 -8.094 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.648 6.289 -9.557 1.00 0.43 H new ATOM 886 N ALA A 98 -0.949 3.882 -5.887 1.00 0.27 N ATOM 887 CA ALA A 98 -1.337 3.450 -4.551 1.00 0.27 C ATOM 888 C ALA A 98 -0.588 4.246 -3.504 1.00 0.26 C ATOM 889 O ALA A 98 0.592 4.542 -3.664 1.00 0.40 O ATOM 890 CB ALA A 98 -1.087 1.968 -4.352 1.00 0.30 C ATOM 0 H ALA A 98 -0.375 3.215 -6.403 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.407 3.629 -4.442 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.388 1.680 -3.345 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.667 1.400 -5.080 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.026 1.756 -4.488 1.00 0.30 H new ATOM 896 N ILE A 99 -1.292 4.582 -2.441 1.00 0.18 N ATOM 897 CA ILE A 99 -0.752 5.398 -1.371 1.00 0.17 C ATOM 898 C ILE A 99 -0.228 4.499 -0.252 1.00 0.16 C ATOM 899 O ILE A 99 -0.796 3.443 -0.001 1.00 0.16 O ATOM 900 CB ILE A 99 -1.851 6.335 -0.835 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.452 7.142 -1.988 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.312 7.257 0.243 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.437 7.937 -2.779 1.00 0.29 C ATOM 0 H ILE A 99 -2.260 4.295 -2.294 1.00 0.18 H new ATOM 0 HA ILE A 99 0.073 6.001 -1.751 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.633 5.725 -0.383 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.970 6.461 -2.663 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.201 7.825 -1.588 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -2.112 7.905 0.601 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.929 6.662 1.072 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.507 7.866 -0.168 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.943 8.481 -3.577 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.935 8.645 -2.119 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.701 7.259 -3.211 1.00 0.29 H new ATOM 915 N ILE A 100 0.864 4.889 0.394 1.00 0.17 N ATOM 916 CA ILE A 100 1.475 4.048 1.416 1.00 0.18 C ATOM 917 C ILE A 100 1.543 4.743 2.779 1.00 0.18 C ATOM 918 O ILE A 100 1.657 5.968 2.872 1.00 0.20 O ATOM 919 CB ILE A 100 2.904 3.644 1.006 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.912 3.035 -0.398 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.486 2.662 2.015 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.267 1.667 -0.486 1.00 0.23 C ATOM 0 H ILE A 100 1.342 5.775 0.230 1.00 0.17 H new ATOM 0 HA ILE A 100 0.841 3.166 1.505 1.00 0.18 H new ATOM 0 HB ILE A 100 3.525 4.540 0.993 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.396 3.712 -1.078 1.00 0.21 H new ATOM 0 HG13 ILE A 100 3.943 2.961 -0.744 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.496 2.385 1.713 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.517 3.128 3.000 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.862 1.769 2.055 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.315 1.308 -1.514 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.796 0.972 0.166 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.225 1.735 -0.174 1.00 0.23 H new ATOM 934 N SER A 101 1.458 3.931 3.828 1.00 0.20 N ATOM 935 CA SER A 101 1.696 4.370 5.193 1.00 0.20 C ATOM 936 C SER A 101 3.198 4.496 5.444 1.00 0.20 C ATOM 937 O SER A 101 3.986 3.654 5.004 1.00 0.23 O ATOM 938 CB SER A 101 1.095 3.354 6.167 1.00 0.22 C ATOM 939 OG SER A 101 1.414 3.671 7.515 1.00 0.89 O ATOM 0 H SER A 101 1.220 2.942 3.751 1.00 0.20 H new ATOM 0 HA SER A 101 1.227 5.342 5.345 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.012 3.328 6.045 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.466 2.357 5.929 1.00 0.22 H new ATOM 0 HG SER A 101 1.289 2.877 8.076 1.00 0.89 H new ATOM 945 N GLU A 102 3.584 5.540 6.170 1.00 0.20 N ATOM 946 CA GLU A 102 4.973 5.838 6.435 1.00 0.21 C ATOM 947 C GLU A 102 5.654 4.751 7.266 1.00 0.24 C ATOM 948 O GLU A 102 6.882 4.713 7.364 1.00 0.29 O ATOM 949 CB GLU A 102 5.048 7.188 7.128 1.00 0.25 C ATOM 950 CG GLU A 102 4.436 7.227 8.521 1.00 0.31 C ATOM 951 CD GLU A 102 5.401 6.793 9.603 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.463 7.429 9.752 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.099 5.814 10.318 1.00 1.71 O ATOM 0 H GLU A 102 2.932 6.203 6.590 1.00 0.20 H new ATOM 0 HA GLU A 102 5.513 5.871 5.489 1.00 0.21 H new ATOM 0 HB2 GLU A 102 6.094 7.487 7.198 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.546 7.928 6.505 1.00 0.25 H new ATOM 0 HG2 GLU A 102 4.093 8.240 8.733 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.558 6.581 8.544 1.00 0.31 H new ATOM 960 N GLU A 103 4.854 3.875 7.856 1.00 0.27 N ATOM 961 CA GLU A 103 5.369 2.759 8.640 1.00 0.34 C ATOM 962 C GLU A 103 6.183 1.808 7.777 1.00 0.31 C ATOM 963 O GLU A 103 7.026 1.064 8.274 1.00 0.41 O ATOM 964 CB GLU A 103 4.220 1.982 9.263 1.00 0.43 C ATOM 965 CG GLU A 103 3.358 2.794 10.195 1.00 0.67 C ATOM 966 CD GLU A 103 2.163 2.008 10.679 1.00 1.15 C ATOM 967 OE1 GLU A 103 1.302 1.660 9.843 1.00 1.42 O ATOM 968 OE2 GLU A 103 2.069 1.742 11.895 1.00 1.48 O ATOM 0 H GLU A 103 3.836 3.916 7.806 1.00 0.27 H new ATOM 0 HA GLU A 103 6.010 3.174 9.418 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.595 1.579 8.466 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.626 1.131 9.810 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.951 3.117 11.050 1.00 0.67 H new ATOM 0 HG3 GLU A 103 3.018 3.695 9.684 1.00 0.67 H new ATOM 975 N LEU A 104 5.923 1.838 6.481 1.00 0.23 N ATOM 976 CA LEU A 104 6.521 0.881 5.566 1.00 0.25 C ATOM 977 C LEU A 104 7.697 1.491 4.822 1.00 0.27 C ATOM 978 O LEU A 104 8.430 0.793 4.126 1.00 0.29 O ATOM 979 CB LEU A 104 5.463 0.383 4.581 1.00 0.27 C ATOM 980 CG LEU A 104 4.245 -0.266 5.235 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.203 -0.623 4.192 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.667 -1.499 6.007 1.00 0.30 C ATOM 0 H LEU A 104 5.301 2.515 6.039 1.00 0.23 H new ATOM 0 HA LEU A 104 6.899 0.038 6.144 1.00 0.25 H new ATOM 0 HB2 LEU A 104 5.128 1.222 3.972 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.924 -0.338 3.905 1.00 0.27 H new ATOM 0 HG LEU A 104 3.800 0.448 5.928 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.344 -1.084 4.679 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.884 0.280 3.672 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.632 -1.322 3.474 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.792 -1.955 6.470 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.132 -2.213 5.327 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.381 -1.217 6.780 1.00 0.30 H new ATOM 994 N LEU A 105 7.862 2.797 4.966 1.00 0.43 N ATOM 995 CA LEU A 105 8.944 3.521 4.349 1.00 0.54 C ATOM 996 C LEU A 105 10.292 2.911 4.659 1.00 0.46 C ATOM 997 O LEU A 105 10.609 2.605 5.809 1.00 0.53 O ATOM 998 CB LEU A 105 8.917 4.953 4.845 1.00 0.88 C ATOM 999 CG LEU A 105 7.870 5.861 4.217 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.483 6.581 3.050 1.00 1.01 C ATOM 1001 CD2 LEU A 105 6.668 5.084 3.738 1.00 1.09 C ATOM 0 H LEU A 105 7.238 3.383 5.521 1.00 0.43 H new ATOM 0 HA LEU A 105 8.806 3.477 3.269 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.757 4.939 5.923 1.00 0.88 H new ATOM 0 HB3 LEU A 105 9.899 5.393 4.674 1.00 0.88 H new ATOM 0 HG LEU A 105 7.535 6.566 4.978 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.739 7.234 2.594 1.00 1.01 H new ATOM 0 HD12 LEU A 105 9.328 7.178 3.394 1.00 1.01 H new ATOM 0 HD13 LEU A 105 8.828 5.854 2.314 1.00 1.01 H new ATOM 0 HD21 LEU A 105 5.944 5.769 3.296 1.00 1.09 H new ATOM 0 HD22 LEU A 105 6.980 4.355 2.991 1.00 1.09 H new ATOM 0 HD23 LEU A 105 6.210 4.566 4.581 1.00 1.09 H new ATOM 1013 N MET A 106 11.076 2.749 3.619 1.00 0.41 N ATOM 1014 CA MET A 106 12.430 2.266 3.759 1.00 0.45 C ATOM 1015 C MET A 106 13.388 3.436 3.850 1.00 0.92 C ATOM 1016 O MET A 106 13.663 4.098 2.846 1.00 1.28 O ATOM 1017 CB MET A 106 12.839 1.388 2.575 1.00 0.27 C ATOM 1018 CG MET A 106 14.327 1.049 2.586 1.00 0.30 C ATOM 1019 SD MET A 106 14.769 -0.055 3.934 1.00 1.05 S ATOM 1020 CE MET A 106 14.697 -1.620 3.079 1.00 0.50 C ATOM 0 H MET A 106 10.796 2.947 2.658 1.00 0.41 H new ATOM 0 HA MET A 106 12.472 1.668 4.669 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.259 0.465 2.594 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.593 1.900 1.645 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.598 0.586 1.637 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.906 1.969 2.669 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.295 -2.382 3.747 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.052 -1.528 2.205 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.699 -1.908 2.762 1.00 0.50 H new ATOM 1092 N TYR A 111 21.096 1.104 2.936 1.00 0.95 N ATOM 1093 CA TYR A 111 20.263 0.391 1.971 1.00 0.70 C ATOM 1094 C TYR A 111 20.036 1.230 0.727 1.00 0.60 C ATOM 1095 O TYR A 111 19.656 2.401 0.806 1.00 0.80 O ATOM 1096 CB TYR A 111 18.901 -0.017 2.561 1.00 0.70 C ATOM 1097 CG TYR A 111 18.162 -1.025 1.717 1.00 0.76 C ATOM 1098 CD1 TYR A 111 17.315 -0.607 0.700 1.00 0.89 C ATOM 1099 CD2 TYR A 111 18.323 -2.389 1.925 1.00 0.94 C ATOM 1100 CE1 TYR A 111 16.646 -1.517 -0.093 1.00 1.12 C ATOM 1101 CE2 TYR A 111 17.660 -3.304 1.143 1.00 1.18 C ATOM 1102 CZ TYR A 111 16.829 -2.869 0.136 1.00 1.23 C ATOM 1103 OH TYR A 111 16.186 -3.796 -0.634 1.00 1.57 O ATOM 0 HA TYR A 111 20.806 -0.517 1.709 1.00 0.70 H new ATOM 0 HB2 TYR A 111 19.054 -0.431 3.558 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.282 0.873 2.677 1.00 0.70 H new ATOM 0 HD1 TYR A 111 17.177 0.450 0.526 1.00 0.89 H new ATOM 0 HD2 TYR A 111 18.978 -2.735 2.711 1.00 0.94 H new ATOM 0 HE1 TYR A 111 15.989 -1.179 -0.881 1.00 1.12 H new ATOM 0 HE2 TYR A 111 17.791 -4.362 1.318 1.00 1.18 H new ATOM 0 HH TYR A 111 16.630 -3.863 -1.505 1.00 1.57 H new ATOM 1113 N GLN A 112 20.281 0.615 -0.414 1.00 0.53 N ATOM 1114 CA GLN A 112 19.994 1.208 -1.701 1.00 0.55 C ATOM 1115 C GLN A 112 19.058 0.293 -2.468 1.00 0.45 C ATOM 1116 O GLN A 112 19.158 -0.929 -2.359 1.00 0.47 O ATOM 1117 CB GLN A 112 21.278 1.417 -2.490 1.00 0.70 C ATOM 1118 CG GLN A 112 22.168 2.509 -1.937 1.00 1.30 C ATOM 1119 CD GLN A 112 23.357 2.808 -2.832 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.283 2.679 -4.055 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.465 3.201 -2.229 1.00 2.05 N ATOM 0 H GLN A 112 20.688 -0.318 -0.472 1.00 0.53 H new ATOM 0 HA GLN A 112 19.522 2.179 -1.552 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.837 0.481 -2.509 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.023 1.658 -3.522 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.581 3.418 -1.805 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.526 2.215 -0.951 1.00 1.30 H new ATOM 0 HE21 GLN A 112 24.487 3.296 -1.214 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.298 3.409 -2.779 1.00 2.05 H new ATOM 1130 N LEU A 113 18.155 0.888 -3.230 1.00 0.40 N ATOM 1131 CA LEU A 113 17.173 0.140 -3.986 1.00 0.33 C ATOM 1132 C LEU A 113 17.861 -0.799 -4.970 1.00 0.36 C ATOM 1133 O LEU A 113 18.767 -0.394 -5.703 1.00 0.43 O ATOM 1134 CB LEU A 113 16.265 1.103 -4.734 1.00 0.32 C ATOM 1135 CG LEU A 113 15.117 0.453 -5.500 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.013 0.038 -4.546 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.587 1.398 -6.557 1.00 0.35 C ATOM 0 H LEU A 113 18.085 1.900 -3.340 1.00 0.40 H new ATOM 0 HA LEU A 113 16.577 -0.458 -3.297 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.848 1.813 -4.020 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.870 1.676 -5.436 1.00 0.32 H new ATOM 0 HG LEU A 113 15.492 -0.441 -5.998 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.201 -0.424 -5.108 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.406 -0.676 -3.823 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.637 0.916 -4.021 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.768 0.920 -7.095 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.225 2.310 -6.082 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.385 1.646 -7.257 1.00 0.35 H new ATOM 1149 N LYS A 114 17.437 -2.046 -4.966 1.00 0.40 N ATOM 1150 CA LYS A 114 18.015 -3.064 -5.830 1.00 0.47 C ATOM 1151 C LYS A 114 16.917 -3.743 -6.636 1.00 0.37 C ATOM 1152 O LYS A 114 15.824 -3.985 -6.135 1.00 0.33 O ATOM 1153 CB LYS A 114 18.751 -4.092 -4.981 1.00 0.63 C ATOM 1154 CG LYS A 114 19.647 -5.033 -5.755 1.00 0.90 C ATOM 1155 CD LYS A 114 20.795 -4.289 -6.411 1.00 1.14 C ATOM 1156 CE LYS A 114 21.839 -5.247 -6.962 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.979 -4.528 -7.584 1.00 2.09 N ATOM 0 H LYS A 114 16.684 -2.385 -4.367 1.00 0.40 H new ATOM 0 HA LYS A 114 18.719 -2.597 -6.519 1.00 0.47 H new ATOM 0 HB2 LYS A 114 19.354 -3.566 -4.241 1.00 0.63 H new ATOM 0 HB3 LYS A 114 18.016 -4.682 -4.433 1.00 0.63 H new ATOM 0 HG2 LYS A 114 20.042 -5.796 -5.084 1.00 0.90 H new ATOM 0 HG3 LYS A 114 19.063 -5.549 -6.517 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.411 -3.665 -7.218 1.00 1.14 H new ATOM 0 HD3 LYS A 114 21.259 -3.622 -5.685 1.00 1.14 H new ATOM 0 HE2 LYS A 114 22.207 -5.884 -6.158 1.00 1.51 H new ATOM 0 HE3 LYS A 114 21.377 -5.902 -7.701 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.668 -5.217 -7.947 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 22.632 -3.940 -8.368 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 23.437 -3.922 -6.873 1.00 2.09 H new ATOM 1171 N ASP A 115 17.222 -4.068 -7.885 1.00 0.40 N ATOM 1172 CA ASP A 115 16.250 -4.691 -8.789 1.00 0.41 C ATOM 1173 C ASP A 115 15.771 -6.038 -8.260 1.00 0.38 C ATOM 1174 O ASP A 115 14.777 -6.585 -8.738 1.00 0.42 O ATOM 1175 CB ASP A 115 16.857 -4.889 -10.176 1.00 0.53 C ATOM 1176 CG ASP A 115 16.921 -3.610 -10.991 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.804 -2.770 -10.721 1.00 1.88 O ATOM 1178 OD2 ASP A 115 16.079 -3.427 -11.894 1.00 1.11 O ATOM 0 H ASP A 115 18.139 -3.911 -8.302 1.00 0.40 H new ATOM 0 HA ASP A 115 15.396 -4.017 -8.852 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.863 -5.295 -10.070 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.270 -5.629 -10.720 1.00 0.53 H new ATOM 1183 N SER A 116 16.491 -6.572 -7.286 1.00 0.38 N ATOM 1184 CA SER A 116 16.172 -7.866 -6.712 1.00 0.44 C ATOM 1185 C SER A 116 15.071 -7.761 -5.650 1.00 0.40 C ATOM 1186 O SER A 116 14.341 -8.726 -5.413 1.00 0.51 O ATOM 1187 CB SER A 116 17.437 -8.489 -6.118 1.00 0.54 C ATOM 1188 OG SER A 116 17.163 -9.741 -5.515 1.00 0.92 O ATOM 0 H SER A 116 17.308 -6.122 -6.874 1.00 0.38 H new ATOM 0 HA SER A 116 15.791 -8.507 -7.507 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.184 -8.617 -6.902 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.864 -7.813 -5.378 1.00 0.54 H new ATOM 0 HG SER A 116 17.991 -10.115 -5.146 1.00 0.92 H new ATOM 1194 N ASP A 117 14.940 -6.600 -5.016 1.00 0.28 N ATOM 1195 CA ASP A 117 13.909 -6.417 -3.995 1.00 0.28 C ATOM 1196 C ASP A 117 12.673 -5.784 -4.601 1.00 0.22 C ATOM 1197 O ASP A 117 11.567 -5.923 -4.075 1.00 0.24 O ATOM 1198 CB ASP A 117 14.406 -5.567 -2.821 1.00 0.34 C ATOM 1199 CG ASP A 117 15.053 -4.260 -3.245 1.00 1.08 C ATOM 1200 OD1 ASP A 117 14.331 -3.314 -3.592 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.301 -4.179 -3.209 1.00 1.04 O ATOM 0 H ASP A 117 15.524 -5.781 -5.186 1.00 0.28 H new ATOM 0 HA ASP A 117 13.660 -7.405 -3.608 1.00 0.28 H new ATOM 0 HB2 ASP A 117 13.567 -5.349 -2.161 1.00 0.34 H new ATOM 0 HB3 ASP A 117 15.125 -6.147 -2.242 1.00 0.34 H new ATOM 1206 N ILE A 118 12.875 -5.093 -5.710 1.00 0.23 N ATOM 1207 CA ILE A 118 11.792 -4.451 -6.425 1.00 0.22 C ATOM 1208 C ILE A 118 10.779 -5.464 -6.930 1.00 0.26 C ATOM 1209 O ILE A 118 11.013 -6.171 -7.913 1.00 0.34 O ATOM 1210 CB ILE A 118 12.313 -3.642 -7.619 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.258 -2.548 -7.136 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.143 -3.048 -8.388 1.00 0.31 C ATOM 1213 CD1 ILE A 118 14.097 -1.940 -8.236 1.00 0.32 C ATOM 0 H ILE A 118 13.792 -4.963 -6.137 1.00 0.23 H new ATOM 0 HA ILE A 118 11.308 -3.781 -5.715 1.00 0.22 H new ATOM 0 HB ILE A 118 12.867 -4.300 -8.288 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.674 -1.761 -6.659 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.919 -2.961 -6.374 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.518 -2.474 -9.235 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.500 -3.851 -8.749 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.571 -2.393 -7.731 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.744 -1.170 -7.816 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.708 -2.715 -8.698 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.445 -1.496 -8.988 1.00 0.32 H new ATOM 1225 N VAL A 119 9.653 -5.526 -6.252 1.00 0.24 N ATOM 1226 CA VAL A 119 8.554 -6.352 -6.692 1.00 0.31 C ATOM 1227 C VAL A 119 7.665 -5.528 -7.613 1.00 0.27 C ATOM 1228 O VAL A 119 7.075 -6.043 -8.566 1.00 0.31 O ATOM 1229 CB VAL A 119 7.727 -6.880 -5.504 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.685 -7.870 -5.986 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.626 -7.515 -4.451 1.00 0.38 C ATOM 0 H VAL A 119 9.476 -5.011 -5.390 1.00 0.24 H new ATOM 0 HA VAL A 119 8.957 -7.216 -7.220 1.00 0.31 H new ATOM 0 HB VAL A 119 7.216 -6.035 -5.042 1.00 0.36 H new ATOM 0 HG11 VAL A 119 6.109 -8.234 -5.136 1.00 0.47 H new ATOM 0 HG12 VAL A 119 6.017 -7.379 -6.694 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.179 -8.709 -6.476 1.00 0.47 H new ATOM 0 HG21 VAL A 119 8.017 -7.879 -3.624 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.172 -8.348 -4.893 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.333 -6.773 -4.081 1.00 0.38 H new ATOM 1241 N ASN A 120 7.605 -4.233 -7.325 1.00 0.25 N ATOM 1242 CA ASN A 120 6.814 -3.291 -8.111 1.00 0.24 C ATOM 1243 C ASN A 120 7.246 -1.859 -7.807 1.00 0.23 C ATOM 1244 O ASN A 120 7.894 -1.594 -6.795 1.00 0.26 O ATOM 1245 CB ASN A 120 5.328 -3.480 -7.796 1.00 0.31 C ATOM 1246 CG ASN A 120 4.410 -2.565 -8.577 1.00 0.54 C ATOM 1247 OD1 ASN A 120 3.992 -2.881 -9.687 1.00 1.17 O ATOM 1248 ND2 ASN A 120 4.073 -1.433 -7.985 1.00 0.36 N ATOM 0 H ASN A 120 8.101 -3.806 -6.543 1.00 0.25 H new ATOM 0 HA ASN A 120 6.978 -3.481 -9.172 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.053 -4.515 -8.001 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.169 -3.313 -6.731 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.442 -0.782 -8.452 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.444 -1.210 -7.061 1.00 0.36 H new ATOM 1255 N GLU A 121 6.882 -0.946 -8.687 1.00 0.24 N ATOM 1256 CA GLU A 121 7.198 0.464 -8.527 1.00 0.25 C ATOM 1257 C GLU A 121 5.925 1.275 -8.352 1.00 0.25 C ATOM 1258 O GLU A 121 4.954 1.096 -9.086 1.00 0.32 O ATOM 1259 CB GLU A 121 7.984 0.992 -9.733 1.00 0.31 C ATOM 1260 CG GLU A 121 8.060 2.517 -9.790 1.00 0.35 C ATOM 1261 CD GLU A 121 8.729 3.047 -11.041 1.00 0.71 C ATOM 1262 OE1 GLU A 121 8.397 2.574 -12.148 1.00 1.17 O ATOM 1263 OE2 GLU A 121 9.579 3.954 -10.923 1.00 1.24 O ATOM 0 H GLU A 121 6.358 -1.160 -9.535 1.00 0.24 H new ATOM 0 HA GLU A 121 7.817 0.569 -7.636 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.995 0.586 -9.703 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.520 0.625 -10.648 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.051 2.925 -9.728 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.604 2.878 -8.917 1.00 0.35 H new ATOM 1270 N ILE A 122 5.935 2.160 -7.377 1.00 0.21 N ATOM 1271 CA ILE A 122 4.825 3.058 -7.155 1.00 0.23 C ATOM 1272 C ILE A 122 5.306 4.487 -7.296 1.00 0.26 C ATOM 1273 O ILE A 122 6.453 4.719 -7.673 1.00 0.25 O ATOM 1274 CB ILE A 122 4.154 2.846 -5.789 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.177 2.958 -4.660 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.459 1.497 -5.763 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.620 2.602 -3.306 1.00 0.31 C ATOM 0 H ILE A 122 6.708 2.276 -6.721 1.00 0.21 H new ATOM 0 HA ILE A 122 4.065 2.842 -7.906 1.00 0.23 H new ATOM 0 HB ILE A 122 3.408 3.626 -5.636 1.00 0.26 H new ATOM 0 HG12 ILE A 122 6.022 2.305 -4.880 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.562 3.977 -4.629 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.985 1.351 -4.793 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.702 1.463 -6.546 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.191 0.707 -5.932 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.401 2.704 -2.553 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.794 3.271 -3.065 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.261 1.573 -3.319 1.00 0.31 H new ATOM 1289 N LYS A 123 4.435 5.436 -7.047 1.00 0.30 N ATOM 1290 CA LYS A 123 4.775 6.827 -7.252 1.00 0.34 C ATOM 1291 C LYS A 123 5.831 7.292 -6.265 1.00 0.36 C ATOM 1292 O LYS A 123 5.609 7.301 -5.059 1.00 0.42 O ATOM 1293 CB LYS A 123 3.530 7.691 -7.155 1.00 0.39 C ATOM 1294 CG LYS A 123 3.740 9.060 -7.719 1.00 0.48 C ATOM 1295 CD LYS A 123 2.466 9.861 -7.691 1.00 0.75 C ATOM 1296 CE LYS A 123 2.755 11.308 -7.997 1.00 1.35 C ATOM 1297 NZ LYS A 123 3.519 11.966 -6.902 1.00 2.15 N ATOM 0 H LYS A 123 3.489 5.273 -6.703 1.00 0.30 H new ATOM 0 HA LYS A 123 5.195 6.928 -8.253 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.711 7.204 -7.685 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.229 7.774 -6.111 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.511 9.577 -7.148 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.102 8.982 -8.744 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.760 9.461 -8.419 1.00 0.75 H new ATOM 0 HD3 LYS A 123 1.995 9.776 -6.711 1.00 0.75 H new ATOM 0 HE2 LYS A 123 3.321 11.376 -8.926 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.817 11.840 -8.155 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 3.624 12.979 -7.112 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 3.008 11.850 -6.004 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 4.460 11.529 -6.824 1.00 2.15 H new ATOM 1311 N GLY A 124 6.994 7.637 -6.797 1.00 0.37 N ATOM 1312 CA GLY A 124 8.079 8.148 -5.985 1.00 0.42 C ATOM 1313 C GLY A 124 8.803 7.064 -5.212 1.00 0.38 C ATOM 1314 O GLY A 124 10.003 7.162 -4.961 1.00 0.42 O ATOM 0 H GLY A 124 7.207 7.571 -7.792 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.792 8.667 -6.626 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.685 8.885 -5.285 1.00 0.42 H new ATOM 1318 N GLY A 125 8.068 6.043 -4.812 1.00 0.34 N ATOM 1319 CA GLY A 125 8.645 4.961 -4.056 1.00 0.31 C ATOM 1320 C GLY A 125 8.597 3.635 -4.778 1.00 0.25 C ATOM 1321 O GLY A 125 7.956 3.493 -5.814 1.00 0.29 O ATOM 0 H GLY A 125 7.070 5.946 -5.001 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.682 5.202 -3.823 1.00 0.31 H new ATOM 0 HA3 GLY A 125 8.118 4.869 -3.106 1.00 0.31 H new ATOM 1325 N TYR A 126 9.292 2.665 -4.228 1.00 0.19 N ATOM 1326 CA TYR A 126 9.240 1.305 -4.716 1.00 0.16 C ATOM 1327 C TYR A 126 8.720 0.398 -3.630 1.00 0.16 C ATOM 1328 O TYR A 126 9.289 0.342 -2.543 1.00 0.17 O ATOM 1329 CB TYR A 126 10.622 0.828 -5.150 1.00 0.15 C ATOM 1330 CG TYR A 126 10.952 1.147 -6.584 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.048 2.454 -7.016 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.145 0.135 -7.504 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.333 2.750 -8.332 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.437 0.416 -8.823 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.531 1.725 -9.232 1.00 0.30 C ATOM 1336 OH TYR A 126 11.835 2.007 -10.545 1.00 0.38 O ATOM 0 H TYR A 126 9.911 2.797 -3.428 1.00 0.19 H new ATOM 0 HA TYR A 126 8.574 1.276 -5.578 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.373 1.283 -4.504 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.687 -0.250 -5.003 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.897 3.259 -6.311 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.066 -0.894 -7.186 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.401 3.778 -8.656 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.591 -0.387 -9.529 1.00 0.27 H new ATOM 0 HH TYR A 126 11.313 2.781 -10.843 1.00 0.38 H new ATOM 1346 N VAL A 127 7.636 -0.295 -3.906 1.00 0.18 N ATOM 1347 CA VAL A 127 7.164 -1.296 -2.983 1.00 0.20 C ATOM 1348 C VAL A 127 8.054 -2.528 -3.133 1.00 0.17 C ATOM 1349 O VAL A 127 8.045 -3.216 -4.159 1.00 0.20 O ATOM 1350 CB VAL A 127 5.663 -1.615 -3.199 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.367 -2.002 -4.642 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.199 -2.693 -2.238 1.00 0.60 C ATOM 0 H VAL A 127 7.074 -0.184 -4.750 1.00 0.18 H new ATOM 0 HA VAL A 127 7.232 -0.926 -1.960 1.00 0.20 H new ATOM 0 HB VAL A 127 5.101 -0.705 -2.990 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.304 -2.218 -4.750 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.639 -1.179 -5.303 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.945 -2.887 -4.907 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.143 -2.901 -2.407 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.779 -3.601 -2.403 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.342 -2.352 -1.213 1.00 0.60 H new ATOM 1362 N ILE A 128 8.846 -2.779 -2.106 1.00 0.14 N ATOM 1363 CA ILE A 128 9.962 -3.703 -2.214 1.00 0.12 C ATOM 1364 C ILE A 128 9.921 -4.766 -1.144 1.00 0.13 C ATOM 1365 O ILE A 128 9.502 -4.515 -0.015 1.00 0.16 O ATOM 1366 CB ILE A 128 11.311 -2.952 -2.126 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.387 -2.090 -0.849 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.501 -2.095 -3.365 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.686 -1.327 -0.697 1.00 0.19 C ATOM 0 H ILE A 128 8.737 -2.355 -1.185 1.00 0.14 H new ATOM 0 HA ILE A 128 9.873 -4.186 -3.187 1.00 0.12 H new ATOM 0 HB ILE A 128 12.115 -3.686 -2.074 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.559 -1.381 -0.852 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.252 -2.734 0.020 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.452 -1.567 -3.300 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.498 -2.730 -4.251 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.689 -1.372 -3.435 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.661 -0.746 0.225 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.519 -2.030 -0.660 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.815 -0.656 -1.546 1.00 0.19 H new ATOM 1381 N LYS A 129 10.356 -5.956 -1.504 1.00 0.15 N ATOM 1382 CA LYS A 129 10.496 -7.020 -0.540 1.00 0.18 C ATOM 1383 C LYS A 129 11.972 -7.257 -0.281 1.00 0.19 C ATOM 1384 O LYS A 129 12.681 -7.844 -1.103 1.00 0.20 O ATOM 1385 CB LYS A 129 9.818 -8.306 -1.015 1.00 0.22 C ATOM 1386 CG LYS A 129 9.859 -9.414 0.025 1.00 0.28 C ATOM 1387 CD LYS A 129 9.010 -10.608 -0.376 1.00 0.40 C ATOM 1388 CE LYS A 129 9.110 -11.714 0.659 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.281 -12.898 0.303 1.00 0.76 N ATOM 0 H LYS A 129 10.618 -6.207 -2.457 1.00 0.15 H new ATOM 0 HA LYS A 129 10.001 -6.723 0.385 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.780 -8.091 -1.269 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.305 -8.652 -1.927 1.00 0.22 H new ATOM 0 HG2 LYS A 129 10.890 -9.736 0.170 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.509 -9.026 0.981 1.00 0.28 H new ATOM 0 HD2 LYS A 129 7.970 -10.300 -0.486 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.336 -10.982 -1.347 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.151 -12.020 0.761 1.00 0.51 H new ATOM 0 HE3 LYS A 129 8.794 -11.330 1.629 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.591 -13.719 0.861 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.282 -12.697 0.509 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.391 -13.107 -0.710 1.00 0.76 H new ATOM 1403 N VAL A 130 12.425 -6.787 0.864 1.00 0.21 N ATOM 1404 CA VAL A 130 13.817 -6.870 1.227 1.00 0.24 C ATOM 1405 C VAL A 130 13.959 -7.628 2.532 1.00 0.29 C ATOM 1406 O VAL A 130 13.176 -7.426 3.464 1.00 0.29 O ATOM 1407 CB VAL A 130 14.465 -5.461 1.348 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.560 -4.396 0.756 1.00 0.26 C ATOM 1409 CG2 VAL A 130 14.818 -5.099 2.784 1.00 0.26 C ATOM 0 H VAL A 130 11.836 -6.338 1.565 1.00 0.21 H new ATOM 0 HA VAL A 130 14.342 -7.404 0.435 1.00 0.24 H new ATOM 0 HB VAL A 130 15.395 -5.501 0.782 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.035 -3.420 0.853 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.385 -4.612 -0.298 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.608 -4.391 1.288 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.267 -4.106 2.809 1.00 0.26 H new ATOM 0 HG22 VAL A 130 13.914 -5.104 3.393 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.526 -5.827 3.179 1.00 0.26 H new ATOM 1419 N ASP A 131 14.918 -8.542 2.561 1.00 0.36 N ATOM 1420 CA ASP A 131 15.284 -9.244 3.785 1.00 0.44 C ATOM 1421 C ASP A 131 14.097 -10.038 4.341 1.00 0.43 C ATOM 1422 O ASP A 131 14.005 -10.303 5.539 1.00 0.50 O ATOM 1423 CB ASP A 131 15.811 -8.227 4.811 1.00 0.48 C ATOM 1424 CG ASP A 131 16.519 -8.883 5.980 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.658 -9.370 5.805 1.00 0.74 O ATOM 1426 OD2 ASP A 131 15.935 -8.912 7.084 1.00 0.59 O ATOM 0 H ASP A 131 15.462 -8.817 1.743 1.00 0.36 H new ATOM 0 HA ASP A 131 16.072 -9.965 3.565 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.498 -7.541 4.315 1.00 0.48 H new ATOM 0 HB3 ASP A 131 14.979 -7.631 5.185 1.00 0.48 H new ATOM 1431 N GLY A 132 13.180 -10.409 3.456 1.00 0.39 N ATOM 1432 CA GLY A 132 12.027 -11.196 3.851 1.00 0.40 C ATOM 1433 C GLY A 132 10.875 -10.339 4.340 1.00 0.40 C ATOM 1434 O GLY A 132 9.879 -10.857 4.850 1.00 0.59 O ATOM 0 H GLY A 132 13.215 -10.177 2.463 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.694 -11.796 3.004 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.318 -11.890 4.639 1.00 0.40 H new ATOM 1438 N LYS A 133 11.015 -9.032 4.188 1.00 0.30 N ATOM 1439 CA LYS A 133 9.994 -8.088 4.615 1.00 0.29 C ATOM 1440 C LYS A 133 9.641 -7.144 3.488 1.00 0.26 C ATOM 1441 O LYS A 133 10.311 -7.109 2.463 1.00 0.33 O ATOM 1442 CB LYS A 133 10.485 -7.287 5.821 1.00 0.33 C ATOM 1443 CG LYS A 133 10.538 -8.091 7.104 1.00 0.40 C ATOM 1444 CD LYS A 133 11.342 -7.382 8.179 1.00 0.80 C ATOM 1445 CE LYS A 133 12.822 -7.331 7.833 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.459 -8.671 7.910 1.00 1.15 N ATOM 0 H LYS A 133 11.836 -8.597 3.767 1.00 0.30 H new ATOM 0 HA LYS A 133 9.104 -8.651 4.897 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.479 -6.896 5.606 1.00 0.33 H new ATOM 0 HB3 LYS A 133 9.830 -6.428 5.967 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.525 -8.268 7.465 1.00 0.40 H new ATOM 0 HG3 LYS A 133 10.980 -9.067 6.904 1.00 0.40 H new ATOM 0 HD2 LYS A 133 10.963 -6.368 8.307 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.208 -7.895 9.131 1.00 0.80 H new ATOM 0 HE2 LYS A 133 12.945 -6.928 6.828 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.330 -6.649 8.514 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.490 -8.561 7.988 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.101 -9.178 8.744 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.233 -9.213 7.052 1.00 1.15 H new ATOM 1460 N TYR A 134 8.594 -6.375 3.685 1.00 0.25 N ATOM 1461 CA TYR A 134 8.136 -5.449 2.666 1.00 0.23 C ATOM 1462 C TYR A 134 8.262 -4.012 3.127 1.00 0.22 C ATOM 1463 O TYR A 134 7.860 -3.659 4.239 1.00 0.26 O ATOM 1464 CB TYR A 134 6.695 -5.740 2.294 1.00 0.28 C ATOM 1465 CG TYR A 134 6.529 -6.178 0.867 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.397 -5.254 -0.157 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.497 -7.515 0.550 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.228 -5.663 -1.462 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.324 -7.936 -0.757 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.189 -7.004 -1.753 1.00 0.91 C ATOM 1471 OH TYR A 134 5.988 -7.419 -3.041 1.00 1.22 O ATOM 0 H TYR A 134 8.041 -6.370 4.542 1.00 0.25 H new ATOM 0 HA TYR A 134 8.770 -5.586 1.790 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.306 -6.516 2.953 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.095 -4.846 2.465 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.427 -4.199 0.071 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.609 -8.249 1.334 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.127 -4.933 -2.251 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.296 -8.990 -0.990 1.00 0.86 H new ATOM 0 HH TYR A 134 5.656 -6.669 -3.578 1.00 1.22 H new ATOM 1481 N TYR A 135 8.821 -3.194 2.258 1.00 0.19 N ATOM 1482 CA TYR A 135 9.003 -1.784 2.525 1.00 0.20 C ATOM 1483 C TYR A 135 8.592 -0.980 1.314 1.00 0.19 C ATOM 1484 O TYR A 135 8.253 -1.534 0.269 1.00 0.21 O ATOM 1485 CB TYR A 135 10.467 -1.468 2.837 1.00 0.19 C ATOM 1486 CG TYR A 135 11.046 -2.236 3.980 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.639 -3.460 3.768 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.018 -1.727 5.265 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.191 -4.166 4.792 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.569 -2.428 6.311 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.157 -3.652 6.072 1.00 0.31 C ATOM 1492 OH TYR A 135 12.714 -4.356 7.112 1.00 0.37 O ATOM 0 H TYR A 135 9.163 -3.491 1.344 1.00 0.19 H new ATOM 0 HA TYR A 135 8.388 -1.524 3.386 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.064 -1.665 1.946 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.556 -0.403 3.051 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.667 -3.868 2.769 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.558 -0.767 5.449 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.653 -5.124 4.604 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.542 -2.023 7.312 1.00 0.32 H new ATOM 0 HH TYR A 135 12.604 -3.851 7.945 1.00 0.37 H new ATOM 1502 N VAL A 136 8.620 0.322 1.468 1.00 0.21 N ATOM 1503 CA VAL A 136 8.408 1.224 0.366 1.00 0.22 C ATOM 1504 C VAL A 136 9.574 2.191 0.276 1.00 0.23 C ATOM 1505 O VAL A 136 9.758 3.063 1.130 1.00 0.31 O ATOM 1506 CB VAL A 136 7.068 1.973 0.496 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.932 3.036 -0.586 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.918 0.978 0.418 1.00 0.26 C ATOM 0 H VAL A 136 8.790 0.784 2.361 1.00 0.21 H new ATOM 0 HA VAL A 136 8.355 0.645 -0.556 1.00 0.22 H new ATOM 0 HB VAL A 136 7.039 2.477 1.462 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.978 3.551 -0.473 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.746 3.756 -0.493 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.975 2.564 -1.567 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.971 1.509 0.510 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.951 0.458 -0.539 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.008 0.254 1.227 1.00 0.26 H new ATOM 1518 N TYR A 137 10.376 1.998 -0.751 1.00 0.20 N ATOM 1519 CA TYR A 137 11.560 2.799 -0.977 1.00 0.24 C ATOM 1520 C TYR A 137 11.193 4.109 -1.595 1.00 0.27 C ATOM 1521 O TYR A 137 10.931 4.192 -2.781 1.00 0.46 O ATOM 1522 CB TYR A 137 12.529 2.061 -1.901 1.00 0.35 C ATOM 1523 CG TYR A 137 13.559 2.979 -2.497 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.514 3.539 -1.696 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.550 3.310 -3.845 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.449 4.409 -2.199 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.486 4.179 -4.366 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.435 4.729 -3.537 1.00 0.77 C ATOM 1529 OH TYR A 137 16.370 5.601 -4.046 1.00 1.01 O ATOM 0 H TYR A 137 10.223 1.277 -1.456 1.00 0.20 H new ATOM 0 HA TYR A 137 12.040 2.977 -0.015 1.00 0.24 H new ATOM 0 HB2 TYR A 137 13.030 1.271 -1.342 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.968 1.579 -2.702 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.534 3.292 -0.645 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.801 2.882 -4.494 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.193 4.841 -1.546 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.473 4.426 -5.417 1.00 0.78 H new ATOM 0 HH TYR A 137 16.378 5.538 -5.024 1.00 1.01 H new ATOM 1539 N LEU A 138 11.191 5.136 -0.794 1.00 0.29 N ATOM 1540 CA LEU A 138 10.845 6.430 -1.290 1.00 0.38 C ATOM 1541 C LEU A 138 12.078 7.179 -1.749 1.00 0.44 C ATOM 1542 O LEU A 138 13.076 7.262 -1.029 1.00 0.50 O ATOM 1543 CB LEU A 138 10.114 7.210 -0.223 1.00 0.48 C ATOM 1544 CG LEU A 138 9.133 8.236 -0.771 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.085 7.556 -1.638 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.476 9.001 0.358 1.00 0.72 C ATOM 0 H LEU A 138 11.424 5.100 0.198 1.00 0.29 H new ATOM 0 HA LEU A 138 10.188 6.309 -2.151 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.575 6.512 0.418 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.845 7.720 0.405 1.00 0.48 H new ATOM 0 HG LEU A 138 9.684 8.946 -1.388 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.391 8.303 -2.023 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.574 7.052 -2.472 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.538 6.825 -1.042 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.778 9.730 -0.054 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.937 8.307 1.003 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.239 9.518 0.940 1.00 0.72 H new ATOM 1558 N LYS A 139 12.008 7.698 -2.961 1.00 0.46 N ATOM 1559 CA LYS A 139 13.098 8.475 -3.520 1.00 0.54 C ATOM 1560 C LYS A 139 12.996 9.926 -3.066 1.00 0.64 C ATOM 1561 O LYS A 139 13.973 10.669 -3.109 1.00 0.74 O ATOM 1562 CB LYS A 139 13.081 8.396 -5.043 1.00 0.56 C ATOM 1563 CG LYS A 139 13.179 6.977 -5.573 1.00 0.50 C ATOM 1564 CD LYS A 139 13.229 6.948 -7.093 1.00 0.59 C ATOM 1565 CE LYS A 139 14.483 7.625 -7.626 1.00 1.51 C ATOM 1566 NZ LYS A 139 15.718 6.978 -7.115 1.00 2.31 N ATOM 0 H LYS A 139 11.203 7.595 -3.579 1.00 0.46 H new ATOM 0 HA LYS A 139 14.040 8.061 -3.162 1.00 0.54 H new ATOM 0 HB2 LYS A 139 12.163 8.852 -5.413 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.910 8.982 -5.439 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.072 6.499 -5.170 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.323 6.399 -5.226 1.00 0.50 H new ATOM 0 HD2 LYS A 139 13.198 5.915 -7.439 1.00 0.59 H new ATOM 0 HD3 LYS A 139 12.347 7.446 -7.496 1.00 0.59 H new ATOM 0 HE2 LYS A 139 14.479 7.592 -8.715 1.00 1.51 H new ATOM 0 HE3 LYS A 139 14.478 8.677 -7.339 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 16.533 7.288 -7.682 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 15.865 7.247 -6.121 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 15.622 5.945 -7.183 1.00 2.31 H new ATOM 1580 N ASP A 140 11.803 10.322 -2.630 1.00 0.66 N ATOM 1581 CA ASP A 140 11.585 11.662 -2.105 1.00 0.78 C ATOM 1582 C ASP A 140 10.782 11.576 -0.818 1.00 0.77 C ATOM 1583 O ASP A 140 9.564 11.743 -0.809 1.00 0.88 O ATOM 1584 CB ASP A 140 10.860 12.548 -3.123 1.00 1.00 C ATOM 1585 CG ASP A 140 10.702 13.974 -2.629 1.00 1.24 C ATOM 1586 OD1 ASP A 140 11.646 14.775 -2.795 1.00 1.57 O ATOM 1587 OD2 ASP A 140 9.641 14.305 -2.067 1.00 1.58 O ATOM 0 H ASP A 140 10.972 9.730 -2.631 1.00 0.66 H new ATOM 0 HA ASP A 140 12.555 12.116 -1.902 1.00 0.78 H new ATOM 0 HB2 ASP A 140 11.414 12.549 -4.061 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.877 12.127 -3.334 1.00 1.00 H new ATOM 1592 N ALA A 141 11.476 11.290 0.267 1.00 0.73 N ATOM 1593 CA ALA A 141 10.838 11.108 1.558 1.00 0.79 C ATOM 1594 C ALA A 141 10.535 12.444 2.218 1.00 0.97 C ATOM 1595 O ALA A 141 9.838 12.504 3.232 1.00 1.12 O ATOM 1596 CB ALA A 141 11.722 10.264 2.460 1.00 0.86 C ATOM 0 H ALA A 141 12.490 11.178 0.280 1.00 0.73 H new ATOM 0 HA ALA A 141 9.891 10.592 1.399 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.236 10.133 3.427 1.00 0.86 H new ATOM 0 HB2 ALA A 141 11.885 9.289 2.000 1.00 0.86 H new ATOM 0 HB3 ALA A 141 12.680 10.764 2.601 1.00 0.86 H new ATOM 1602 N ALA A 142 11.051 13.515 1.635 1.00 1.02 N ATOM 1603 CA ALA A 142 10.944 14.833 2.242 1.00 1.26 C ATOM 1604 C ALA A 142 9.606 15.502 1.948 1.00 1.37 C ATOM 1605 O ALA A 142 8.981 16.068 2.841 1.00 1.60 O ATOM 1606 CB ALA A 142 12.080 15.723 1.769 1.00 1.38 C ATOM 0 H ALA A 142 11.547 13.498 0.744 1.00 1.02 H new ATOM 0 HA ALA A 142 11.010 14.694 3.321 1.00 1.26 H new ATOM 0 HB1 ALA A 142 11.988 16.706 2.230 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.034 15.277 2.052 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.035 15.825 0.685 1.00 1.38 H new ATOM 1612 N HIS A 143 9.158 15.435 0.702 1.00 1.30 N ATOM 1613 CA HIS A 143 8.000 16.219 0.286 1.00 1.50 C ATOM 1614 C HIS A 143 6.763 15.349 0.135 1.00 1.25 C ATOM 1615 O HIS A 143 5.725 15.819 -0.330 1.00 1.33 O ATOM 1616 CB HIS A 143 8.283 16.930 -1.036 1.00 1.74 C ATOM 1617 CG HIS A 143 9.618 17.609 -1.078 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.726 17.050 -1.677 1.00 2.83 N ATOM 1619 CD2 HIS A 143 10.025 18.798 -0.582 1.00 2.47 C ATOM 1620 CE1 HIS A 143 11.754 17.862 -1.544 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.356 18.930 -0.886 1.00 3.11 N ATOM 0 H HIS A 143 9.570 14.856 -0.030 1.00 1.30 H new ATOM 0 HA HIS A 143 7.811 16.958 1.065 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.228 16.205 -1.848 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.503 17.670 -1.215 1.00 1.74 H new ATOM 0 HD1 HIS A 143 10.747 16.147 -2.150 1.00 2.83 H new ATOM 0 HD2 HIS A 143 9.416 19.511 -0.046 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.753 17.682 -1.912 1.00 3.41 H new ATOM 1630 N ALA A 144 6.894 14.083 0.536 1.00 0.99 N ATOM 1631 CA ALA A 144 5.825 13.094 0.414 1.00 0.77 C ATOM 1632 C ALA A 144 5.477 12.811 -1.030 1.00 0.76 C ATOM 1633 O ALA A 144 4.986 13.671 -1.759 1.00 1.13 O ATOM 1634 CB ALA A 144 4.589 13.527 1.169 1.00 0.88 C ATOM 0 H ALA A 144 7.748 13.715 0.956 1.00 0.99 H new ATOM 0 HA ALA A 144 6.201 12.171 0.856 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.812 12.771 1.059 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.831 13.648 2.225 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.231 14.475 0.768 1.00 0.88 H new ATOM 1640 N ASP A 145 5.722 11.589 -1.426 1.00 0.59 N ATOM 1641 CA ASP A 145 5.380 11.130 -2.748 1.00 0.87 C ATOM 1642 C ASP A 145 4.428 9.961 -2.616 1.00 0.66 C ATOM 1643 O ASP A 145 4.800 8.847 -2.918 1.00 0.75 O ATOM 1644 CB ASP A 145 6.622 10.729 -3.538 1.00 1.23 C ATOM 1645 CG ASP A 145 6.617 11.302 -4.945 1.00 1.79 C ATOM 1646 OD1 ASP A 145 5.791 10.869 -5.779 1.00 1.99 O ATOM 1647 OD2 ASP A 145 7.446 12.192 -5.226 1.00 2.20 O ATOM 0 H ASP A 145 6.165 10.882 -0.840 1.00 0.59 H new ATOM 0 HA ASP A 145 4.902 11.940 -3.299 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.512 11.072 -3.011 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.682 9.642 -3.590 1.00 1.23 H new ATOM 1652 N ASN A 146 3.233 10.251 -2.083 1.00 0.48 N ATOM 1653 CA ASN A 146 2.158 9.263 -1.817 1.00 0.32 C ATOM 1654 C ASN A 146 2.322 8.632 -0.442 1.00 0.25 C ATOM 1655 O ASN A 146 1.587 7.727 -0.061 1.00 0.37 O ATOM 1656 CB ASN A 146 2.048 8.174 -2.923 1.00 0.38 C ATOM 1657 CG ASN A 146 2.654 6.807 -2.571 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.036 5.996 -1.900 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.842 6.517 -3.063 1.00 0.65 N ATOM 0 H ASN A 146 2.973 11.200 -1.815 1.00 0.48 H new ATOM 0 HA ASN A 146 1.219 9.816 -1.834 1.00 0.32 H new ATOM 0 HB2 ASN A 146 0.995 8.033 -3.165 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.535 8.546 -3.824 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.258 5.603 -2.885 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.345 7.207 -3.622 1.00 0.65 H new ATOM 1666 N ILE A 147 3.221 9.173 0.346 1.00 0.30 N ATOM 1667 CA ILE A 147 3.405 8.673 1.693 1.00 0.34 C ATOM 1668 C ILE A 147 2.660 9.533 2.698 1.00 0.38 C ATOM 1669 O ILE A 147 2.940 10.723 2.850 1.00 0.46 O ATOM 1670 CB ILE A 147 4.884 8.603 2.076 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.633 7.701 1.094 1.00 0.46 C ATOM 1672 CG2 ILE A 147 5.034 8.105 3.505 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.025 6.325 0.930 1.00 0.50 C ATOM 0 H ILE A 147 3.830 9.949 0.085 1.00 0.30 H new ATOM 0 HA ILE A 147 2.997 7.662 1.713 1.00 0.34 H new ATOM 0 HB ILE A 147 5.318 9.601 2.022 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.665 8.190 0.121 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.664 7.593 1.431 1.00 0.46 H new ATOM 0 HG21 ILE A 147 6.091 8.060 3.765 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.522 8.787 4.184 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.596 7.111 3.592 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.615 5.749 0.217 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.018 5.813 1.892 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.004 6.420 0.562 1.00 0.50 H new ATOM 1685 N ARG A 148 1.706 8.919 3.374 1.00 0.36 N ATOM 1686 CA ARG A 148 0.925 9.603 4.394 1.00 0.38 C ATOM 1687 C ARG A 148 1.330 9.072 5.759 1.00 0.36 C ATOM 1688 O ARG A 148 1.342 7.860 5.986 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.580 9.404 4.179 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.035 9.492 2.725 1.00 0.62 C ATOM 1691 CD ARG A 148 -0.441 10.681 1.972 1.00 0.83 C ATOM 1692 NE ARG A 148 -0.805 11.976 2.546 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.398 12.954 1.855 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -1.804 12.742 0.609 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.608 14.138 2.424 1.00 1.78 N ATOM 0 H ARG A 148 1.451 7.941 3.235 1.00 0.36 H new ATOM 0 HA ARG A 148 1.126 10.672 4.330 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.864 8.429 4.576 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.118 10.153 4.760 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -0.760 8.572 2.210 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.122 9.560 2.696 1.00 0.62 H new ATOM 0 HD2 ARG A 148 0.645 10.589 1.963 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.773 10.646 0.934 1.00 0.83 H new ATOM 0 HE ARG A 148 -0.594 12.142 3.530 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -1.664 11.830 0.175 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -2.256 13.492 0.085 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -1.316 14.299 3.388 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -2.061 14.884 1.896 1.00 1.78 H new ATOM 1709 N THR A 149 1.701 9.978 6.647 1.00 0.33 N ATOM 1710 CA THR A 149 2.081 9.615 7.998 1.00 0.31 C ATOM 1711 C THR A 149 0.900 9.027 8.743 1.00 0.28 C ATOM 1712 O THR A 149 -0.232 9.334 8.413 1.00 0.29 O ATOM 1713 CB THR A 149 2.607 10.841 8.762 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.798 11.982 8.451 1.00 0.37 O ATOM 1715 CG2 THR A 149 4.049 11.122 8.383 1.00 0.40 C ATOM 0 H THR A 149 1.747 10.978 6.453 1.00 0.33 H new ATOM 0 HA THR A 149 2.873 8.868 7.934 1.00 0.31 H new ATOM 0 HB THR A 149 2.559 10.637 9.832 1.00 0.34 H new ATOM 0 HG1 THR A 149 2.132 12.763 8.939 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.407 11.993 8.932 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.665 10.258 8.631 1.00 0.40 H new ATOM 0 HG23 THR A 149 4.112 11.317 7.313 1.00 0.40 H new ATOM 1723 N LYS A 150 1.149 8.184 9.730 1.00 0.31 N ATOM 1724 CA LYS A 150 0.068 7.617 10.523 1.00 0.34 C ATOM 1725 C LYS A 150 -0.783 8.717 11.132 1.00 0.31 C ATOM 1726 O LYS A 150 -2.013 8.611 11.186 1.00 0.39 O ATOM 1727 CB LYS A 150 0.643 6.722 11.608 1.00 0.41 C ATOM 1728 CG LYS A 150 1.126 5.395 11.077 1.00 0.63 C ATOM 1729 CD LYS A 150 -0.036 4.450 10.820 1.00 1.48 C ATOM 1730 CE LYS A 150 -0.731 4.038 12.112 1.00 2.24 C ATOM 1731 NZ LYS A 150 0.183 3.305 13.030 1.00 3.02 N ATOM 0 H LYS A 150 2.083 7.877 10.002 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.571 7.019 9.873 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.471 7.236 12.095 1.00 0.41 H new ATOM 0 HB3 LYS A 150 -0.117 6.548 12.370 1.00 0.41 H new ATOM 0 HG2 LYS A 150 1.683 5.551 10.153 1.00 0.63 H new ATOM 0 HG3 LYS A 150 1.814 4.943 11.791 1.00 0.63 H new ATOM 0 HD2 LYS A 150 -0.756 4.932 10.158 1.00 1.48 H new ATOM 0 HD3 LYS A 150 0.326 3.561 10.304 1.00 1.48 H new ATOM 0 HE2 LYS A 150 -1.115 4.925 12.616 1.00 2.24 H new ATOM 0 HE3 LYS A 150 -1.589 3.409 11.877 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 -0.363 2.912 13.823 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 0.648 2.531 12.513 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 0.904 3.958 13.397 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.121 9.784 11.555 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.811 10.945 12.085 1.00 0.34 C ATOM 1747 C GLU A 151 -1.689 11.578 11.013 1.00 0.36 C ATOM 1748 O GLU A 151 -2.789 12.059 11.292 1.00 0.48 O ATOM 1749 CB GLU A 151 0.189 11.970 12.621 1.00 0.44 C ATOM 1750 CG GLU A 151 1.061 11.442 13.739 1.00 0.56 C ATOM 1751 CD GLU A 151 2.000 12.494 14.290 1.00 1.01 C ATOM 1752 OE1 GLU A 151 1.582 13.272 15.168 1.00 1.19 O ATOM 1753 OE2 GLU A 151 3.167 12.544 13.848 1.00 1.36 O ATOM 0 H GLU A 151 0.895 9.867 11.540 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.445 10.618 12.909 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.826 12.305 11.803 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.356 12.843 12.979 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.428 11.068 14.543 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.643 10.596 13.373 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.204 11.555 9.784 1.00 0.34 N ATOM 1761 CA GLU A 152 -1.940 12.104 8.661 1.00 0.40 C ATOM 1762 C GLU A 152 -3.010 11.142 8.193 1.00 0.40 C ATOM 1763 O GLU A 152 -4.063 11.562 7.749 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.002 12.404 7.504 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.686 13.042 6.317 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.705 13.636 5.337 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.160 12.894 4.829 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.797 14.846 5.060 1.00 0.76 O ATOM 0 H GLU A 152 -0.297 11.159 9.538 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.412 13.027 8.996 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.208 13.065 7.853 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.527 11.477 7.183 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.296 12.295 5.808 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.362 13.822 6.667 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.727 9.854 8.282 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.660 8.839 7.829 1.00 0.35 C ATOM 1777 C ILE A 153 -4.997 8.980 8.544 1.00 0.39 C ATOM 1778 O ILE A 153 -6.051 8.784 7.949 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.112 7.403 8.031 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.877 7.176 7.159 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.181 6.362 7.711 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.265 5.799 7.316 1.00 0.47 C ATOM 0 H ILE A 153 -1.856 9.486 8.665 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.799 8.996 6.759 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.829 7.293 9.078 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.148 7.326 6.114 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.127 7.927 7.405 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.772 5.363 7.860 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -5.038 6.506 8.370 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.498 6.473 6.674 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.394 5.712 6.667 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.961 5.652 8.352 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.999 5.041 7.042 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.950 9.344 9.819 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.172 9.569 10.581 1.00 0.50 C ATOM 1796 C LYS A 154 -6.904 10.798 10.031 1.00 0.56 C ATOM 1797 O LYS A 154 -8.133 10.845 10.004 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.825 9.737 12.071 1.00 0.57 C ATOM 1799 CG LYS A 154 -7.006 9.641 13.032 1.00 1.42 C ATOM 1800 CD LYS A 154 -7.786 10.942 13.130 1.00 1.77 C ATOM 1801 CE LYS A 154 -8.886 10.857 14.177 1.00 2.57 C ATOM 1802 NZ LYS A 154 -9.878 9.799 13.859 1.00 3.43 N ATOM 0 H LYS A 154 -4.087 9.489 10.344 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.837 8.711 10.483 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.093 8.977 12.344 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -5.345 10.706 12.208 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -7.674 8.845 12.703 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -6.643 9.364 14.022 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -7.106 11.757 13.381 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -8.223 11.179 12.160 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -8.443 10.657 15.153 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -9.393 11.819 14.249 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -10.687 9.875 14.509 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -10.208 9.916 12.880 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -9.435 8.864 13.965 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.136 11.782 9.575 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.696 12.948 8.895 1.00 0.63 C ATOM 1818 C ARG A 155 -7.265 12.539 7.544 1.00 0.66 C ATOM 1819 O ARG A 155 -8.368 12.918 7.167 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.622 14.003 8.672 1.00 0.65 C ATOM 1821 CG ARG A 155 -5.011 14.542 9.949 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.870 15.484 9.634 1.00 1.31 C ATOM 1823 NE ARG A 155 -3.315 16.112 10.831 1.00 2.28 N ATOM 1824 CZ ARG A 155 -2.200 16.842 10.840 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -1.510 17.028 9.718 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -1.775 17.385 11.972 1.00 3.70 N ATOM 0 H ARG A 155 -5.120 11.796 9.664 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.486 13.360 9.523 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.831 13.576 8.055 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -6.053 14.832 8.110 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.771 15.064 10.531 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.650 13.717 10.563 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -3.083 14.935 9.117 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.220 16.258 8.951 1.00 1.31 H new ATOM 0 HE ARG A 155 -3.811 15.984 11.713 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.834 16.611 8.845 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -0.657 17.588 9.730 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -2.301 17.244 12.834 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -0.922 17.944 11.981 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.484 11.745 6.835 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.833 11.261 5.514 1.00 0.70 C ATOM 1842 C GLN A 156 -8.055 10.349 5.569 1.00 0.67 C ATOM 1843 O GLN A 156 -8.792 10.218 4.593 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.628 10.529 4.921 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.464 11.463 4.618 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.740 12.335 3.411 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.242 13.447 3.540 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -4.440 11.824 2.230 1.00 0.92 N ATOM 0 H GLN A 156 -5.578 11.414 7.166 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.092 12.106 4.877 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.298 9.758 5.617 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -5.931 10.023 4.004 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.270 12.094 5.485 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.563 10.875 4.443 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -4.023 10.895 2.167 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.625 12.358 1.381 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.266 9.727 6.722 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.394 8.831 6.915 1.00 0.54 C ATOM 1859 C LYS A 157 -10.597 9.568 7.504 1.00 0.62 C ATOM 1860 O LYS A 157 -11.652 8.974 7.728 1.00 0.67 O ATOM 1861 CB LYS A 157 -8.996 7.648 7.804 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.038 7.937 9.288 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.781 6.677 10.100 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.517 5.968 9.637 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.242 4.745 10.435 1.00 0.90 N ATOM 0 H LYS A 157 -7.666 9.829 7.540 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.686 8.448 5.937 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.660 6.810 7.591 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -7.988 7.332 7.537 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.291 8.691 9.536 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.010 8.352 9.553 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.690 6.934 11.155 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.633 6.003 10.008 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.616 5.700 8.585 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.670 6.650 9.714 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -6.373 4.292 10.088 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.122 5.003 11.435 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.039 4.083 10.341 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.444 10.860 7.761 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.500 11.640 8.360 1.00 0.91 C ATOM 1881 C GLN A 158 -12.387 12.248 7.275 1.00 1.15 C ATOM 1882 O GLN A 158 -13.620 12.288 7.470 1.00 1.78 O ATOM 1883 CB GLN A 158 -10.909 12.703 9.278 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.846 14.047 8.631 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.503 15.164 9.597 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -10.806 15.088 10.789 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -9.877 16.214 9.089 1.00 2.52 N ATOM 0 H GLN A 158 -9.593 11.385 7.560 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.129 10.992 8.970 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -11.509 12.768 10.186 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -9.906 12.401 9.579 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -10.102 14.024 7.834 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -11.807 14.263 8.164 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -9.644 16.238 8.096 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -9.628 16.999 9.690 1.00 2.52 H new