USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 SER OG : rot -87:sc= 0.495 USER MOD Set 1.2: A 69 GLN : amide:sc= 0.989 K(o=-2.6,f=-8.6!) USER MOD Set 1.3: A 83 HIS : no HD1:sc= -3.62! C(o=-2.6!,f=-5.2!) USER MOD Set 1.4: A 86 HIS : no HE2:sc= -0.431 K(o=-2.6,f=-3.9) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -0.0638 K(o=-2.6,f=-3.7) USER MOD Set 2.1: A 82 SER OG : rot -100:sc= 0.849 USER MOD Set 2.2: A 157 LYS NZ :NH3+ 149:sc= 0.93 (180deg=-0.203) USER MOD Set 3.1: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 90 TYR OH : rot 180:sc= -0.886 USER MOD Set 4.1: A 75 THR OG1 : rot -6:sc= 1.65 USER MOD Set 4.2: A 89 TYR OH : rot 60:sc= 0.583 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.00391 (180deg=-0.168) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 79 TYR OH : rot 81:sc= -3.46! USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.472 K(o=-0.47,f=-8.1!) USER MOD Single : A 93 LYS NZ :NH3+ -162:sc= -0.0549 (180deg=-0.347) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 177:sc= -0.439 USER MOD Single : A 106 MET CE :methyl -151:sc= -0.141 (180deg=-0.847) USER MOD Single : A 111 TYR OH : rot -124:sc= -0.377 USER MOD Single : A 112 GLN : amide:sc= -0.0184 K(o=-0.018,f=-0.97) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= -0.07 (180deg=-0.432) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.21 K(o=-1.2,f=-3.8!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -73:sc= 1.23 USER MOD Single : A 129 LYS NZ :NH3+ -163:sc= 0.965 (180deg=0.793) USER MOD Single : A 133 LYS NZ :NH3+ 151:sc= 1.03 (180deg=1) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.62! USER MOD Single : A 135 TYR OH : rot 180:sc= -0.0276 USER MOD Single : A 137 TYR OH : rot 165:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.0371 K(o=-0.037,f=-2) USER MOD Single : A 146 ASN : amide:sc= -2.6! C(o=-2.6!,f=-14!) USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.0909 USER MOD Single : A 150 LYS NZ :NH3+ -168:sc= 1.19 (180deg=0.895) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 GLN : amide:sc= -1.45 X(o=-1.5,f=-1.7) USER MOD Single : A 158 GLN :FLIP amide:sc= -0.0902 F(o=-1.7!,f=-0.09) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.056 -9.503 1.519 1.00 0.80 N ATOM 158 CA ALA A 51 -8.075 -10.077 0.596 1.00 0.75 C ATOM 159 C ALA A 51 -8.709 -10.165 -0.774 1.00 0.83 C ATOM 160 O ALA A 51 -8.869 -11.246 -1.342 1.00 1.01 O ATOM 161 CB ALA A 51 -7.566 -11.439 1.025 1.00 0.84 C ATOM 0 HA ALA A 51 -7.203 -9.423 0.587 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.843 -11.804 0.295 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.087 -11.358 2.001 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.401 -12.136 1.088 1.00 0.84 H new ATOM 167 N GLU A 52 -9.102 -9.011 -1.278 1.00 0.75 N ATOM 168 CA GLU A 52 -9.817 -8.924 -2.539 1.00 0.86 C ATOM 169 C GLU A 52 -8.940 -9.409 -3.682 1.00 0.97 C ATOM 170 O GLU A 52 -7.747 -9.107 -3.743 1.00 1.04 O ATOM 171 CB GLU A 52 -10.264 -7.479 -2.797 1.00 0.83 C ATOM 172 CG GLU A 52 -10.805 -6.772 -1.560 1.00 0.91 C ATOM 173 CD GLU A 52 -11.883 -7.572 -0.850 1.00 1.63 C ATOM 174 OE1 GLU A 52 -11.534 -8.449 -0.032 1.00 1.98 O ATOM 175 OE2 GLU A 52 -13.081 -7.338 -1.117 1.00 2.04 O ATOM 0 H GLU A 52 -8.936 -8.111 -0.828 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.699 -9.562 -2.480 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -9.419 -6.912 -3.188 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -11.033 -7.479 -3.569 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.985 -6.582 -0.868 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -11.210 -5.802 -1.849 1.00 0.91 H new ATOM 182 N ASN A 53 -9.532 -10.191 -4.568 1.00 1.07 N ATOM 183 CA ASN A 53 -8.834 -10.641 -5.758 1.00 1.20 C ATOM 184 C ASN A 53 -8.931 -9.553 -6.814 1.00 1.20 C ATOM 185 O ASN A 53 -8.102 -9.462 -7.721 1.00 1.34 O ATOM 186 CB ASN A 53 -9.432 -11.955 -6.275 1.00 1.31 C ATOM 187 CG ASN A 53 -8.639 -12.544 -7.429 1.00 1.88 C ATOM 188 OD1 ASN A 53 -7.664 -13.265 -7.219 1.00 2.59 O ATOM 189 ND2 ASN A 53 -9.063 -12.265 -8.654 1.00 2.43 N ATOM 0 H ASN A 53 -10.492 -10.526 -4.486 1.00 1.07 H new ATOM 0 HA ASN A 53 -7.787 -10.831 -5.520 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -9.471 -12.678 -5.460 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -10.459 -11.781 -6.596 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -8.577 -12.652 -9.463 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -9.875 -11.663 -8.788 1.00 2.43 H new ATOM 196 N LEU A 54 -9.965 -8.728 -6.665 1.00 1.12 N ATOM 197 CA LEU A 54 -10.184 -7.566 -7.503 1.00 1.15 C ATOM 198 C LEU A 54 -9.019 -6.592 -7.359 1.00 1.13 C ATOM 199 O LEU A 54 -8.347 -6.569 -6.324 1.00 1.13 O ATOM 200 CB LEU A 54 -11.467 -6.889 -7.040 1.00 1.18 C ATOM 201 CG LEU A 54 -12.344 -6.300 -8.130 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.000 -7.389 -8.956 1.00 1.28 C ATOM 203 CD2 LEU A 54 -13.383 -5.409 -7.497 1.00 1.81 C ATOM 0 H LEU A 54 -10.679 -8.855 -5.948 1.00 1.12 H new ATOM 0 HA LEU A 54 -10.261 -7.867 -8.548 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -12.056 -7.616 -6.482 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -11.203 -6.092 -6.345 1.00 1.18 H new ATOM 0 HG LEU A 54 -11.724 -5.712 -8.806 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -13.621 -6.936 -9.728 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -12.231 -8.004 -9.424 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -13.620 -8.012 -8.311 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -14.018 -4.982 -8.273 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -13.994 -5.994 -6.810 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -12.889 -4.606 -6.949 1.00 1.81 H new ATOM 215 N THR A 55 -8.775 -5.791 -8.383 1.00 1.16 N ATOM 216 CA THR A 55 -7.694 -4.822 -8.322 1.00 1.21 C ATOM 217 C THR A 55 -8.130 -3.595 -7.525 1.00 1.14 C ATOM 218 O THR A 55 -9.314 -3.257 -7.516 1.00 1.09 O ATOM 219 CB THR A 55 -7.217 -4.399 -9.725 1.00 1.31 C ATOM 220 OG1 THR A 55 -8.242 -3.676 -10.410 1.00 1.30 O ATOM 221 CG2 THR A 55 -6.830 -5.617 -10.548 1.00 1.40 C ATOM 0 H THR A 55 -9.303 -5.791 -9.256 1.00 1.16 H new ATOM 0 HA THR A 55 -6.854 -5.302 -7.820 1.00 1.21 H new ATOM 0 HB THR A 55 -6.346 -3.756 -9.601 1.00 1.31 H new ATOM 0 HG1 THR A 55 -7.920 -3.414 -11.298 1.00 1.30 H new ATOM 0 HG21 THR A 55 -6.496 -5.298 -11.535 1.00 1.40 H new ATOM 0 HG22 THR A 55 -6.023 -6.153 -10.048 1.00 1.40 H new ATOM 0 HG23 THR A 55 -7.693 -6.275 -10.652 1.00 1.40 H new ATOM 229 N PRO A 56 -7.187 -2.938 -6.827 1.00 1.18 N ATOM 230 CA PRO A 56 -7.470 -1.833 -5.899 1.00 1.10 C ATOM 231 C PRO A 56 -8.485 -0.822 -6.431 1.00 1.05 C ATOM 232 O PRO A 56 -9.392 -0.404 -5.708 1.00 0.97 O ATOM 233 CB PRO A 56 -6.108 -1.155 -5.701 1.00 1.21 C ATOM 234 CG PRO A 56 -5.126 -1.914 -6.533 1.00 1.38 C ATOM 235 CD PRO A 56 -5.757 -3.230 -6.878 1.00 1.34 C ATOM 0 HA PRO A 56 -7.919 -2.213 -4.981 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -6.148 -0.110 -6.007 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -5.818 -1.169 -4.650 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -4.878 -1.358 -7.437 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -4.195 -2.066 -5.986 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -5.452 -3.576 -7.865 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -5.479 -4.008 -6.167 1.00 1.34 H new ATOM 243 N ASP A 57 -8.357 -0.472 -7.701 1.00 1.13 N ATOM 244 CA ASP A 57 -9.208 0.554 -8.304 1.00 1.14 C ATOM 245 C ASP A 57 -10.641 0.062 -8.352 1.00 1.07 C ATOM 246 O ASP A 57 -11.573 0.775 -7.981 1.00 1.05 O ATOM 247 CB ASP A 57 -8.737 0.903 -9.718 1.00 1.30 C ATOM 248 CG ASP A 57 -7.326 1.453 -9.758 1.00 1.61 C ATOM 249 OD1 ASP A 57 -6.368 0.656 -9.853 1.00 2.15 O ATOM 250 OD2 ASP A 57 -7.169 2.688 -9.677 1.00 1.67 O ATOM 0 H ASP A 57 -7.673 -0.881 -8.338 1.00 1.13 H new ATOM 0 HA ASP A 57 -9.145 1.453 -7.692 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -8.790 0.011 -10.342 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -9.418 1.636 -10.150 1.00 1.30 H new ATOM 255 N GLU A 58 -10.796 -1.175 -8.798 1.00 1.09 N ATOM 256 CA GLU A 58 -12.075 -1.842 -8.815 1.00 1.05 C ATOM 257 C GLU A 58 -12.646 -1.900 -7.410 1.00 0.93 C ATOM 258 O GLU A 58 -13.819 -1.610 -7.188 1.00 0.93 O ATOM 259 CB GLU A 58 -11.882 -3.261 -9.320 1.00 1.12 C ATOM 260 CG GLU A 58 -11.237 -3.366 -10.684 1.00 1.26 C ATOM 261 CD GLU A 58 -12.060 -2.749 -11.793 1.00 1.83 C ATOM 262 OE1 GLU A 58 -11.922 -1.533 -12.034 1.00 2.17 O ATOM 263 OE2 GLU A 58 -12.865 -3.469 -12.414 1.00 2.54 O ATOM 0 H GLU A 58 -10.029 -1.742 -9.159 1.00 1.09 H new ATOM 0 HA GLU A 58 -12.759 -1.295 -9.464 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -11.271 -3.808 -8.602 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -12.853 -3.755 -9.354 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -10.262 -2.880 -10.654 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -11.063 -4.417 -10.914 1.00 1.26 H new ATOM 270 N VAL A 59 -11.778 -2.270 -6.476 1.00 0.86 N ATOM 271 CA VAL A 59 -12.147 -2.457 -5.071 1.00 0.75 C ATOM 272 C VAL A 59 -12.955 -1.283 -4.550 1.00 0.71 C ATOM 273 O VAL A 59 -14.115 -1.432 -4.157 1.00 0.71 O ATOM 274 CB VAL A 59 -10.895 -2.604 -4.178 1.00 0.72 C ATOM 275 CG1 VAL A 59 -11.272 -2.700 -2.708 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.075 -3.816 -4.588 1.00 0.82 C ATOM 0 H VAL A 59 -10.793 -2.451 -6.669 1.00 0.86 H new ATOM 0 HA VAL A 59 -12.745 -3.367 -5.028 1.00 0.75 H new ATOM 0 HB VAL A 59 -10.289 -1.709 -4.317 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -10.369 -2.803 -2.107 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -11.806 -1.798 -2.410 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -11.912 -3.569 -2.552 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.199 -3.897 -3.944 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -10.682 -4.716 -4.490 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -9.755 -3.705 -5.624 1.00 0.82 H new ATOM 286 N SER A 60 -12.338 -0.119 -4.581 1.00 0.70 N ATOM 287 CA SER A 60 -12.909 1.062 -3.993 1.00 0.70 C ATOM 288 C SER A 60 -14.176 1.496 -4.717 1.00 0.74 C ATOM 289 O SER A 60 -15.183 1.822 -4.087 1.00 0.72 O ATOM 290 CB SER A 60 -11.879 2.168 -4.035 1.00 0.76 C ATOM 291 OG SER A 60 -11.330 2.424 -2.755 1.00 0.97 O ATOM 0 H SER A 60 -11.427 0.028 -5.016 1.00 0.70 H new ATOM 0 HA SER A 60 -13.187 0.842 -2.962 1.00 0.70 H new ATOM 0 HB2 SER A 60 -11.081 1.895 -4.725 1.00 0.76 H new ATOM 0 HB3 SER A 60 -12.338 3.078 -4.422 1.00 0.76 H new ATOM 0 HG SER A 60 -11.889 3.076 -2.284 1.00 0.97 H new ATOM 297 N LYS A 61 -14.123 1.485 -6.035 1.00 0.87 N ATOM 298 CA LYS A 61 -15.247 1.915 -6.845 1.00 0.96 C ATOM 299 C LYS A 61 -16.465 1.015 -6.626 1.00 0.94 C ATOM 300 O LYS A 61 -17.594 1.503 -6.548 1.00 1.01 O ATOM 301 CB LYS A 61 -14.850 1.951 -8.317 1.00 1.10 C ATOM 302 CG LYS A 61 -13.763 2.969 -8.610 1.00 1.17 C ATOM 303 CD LYS A 61 -13.251 2.853 -10.033 1.00 1.36 C ATOM 304 CE LYS A 61 -12.097 3.809 -10.275 1.00 2.01 C ATOM 305 NZ LYS A 61 -11.507 3.641 -11.628 1.00 2.54 N ATOM 0 H LYS A 61 -13.309 1.181 -6.570 1.00 0.87 H new ATOM 0 HA LYS A 61 -15.527 2.922 -6.536 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -14.506 0.962 -8.620 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -15.729 2.181 -8.920 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -14.152 3.974 -8.444 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -12.936 2.828 -7.914 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -12.927 1.830 -10.224 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -14.059 3.068 -10.733 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -12.446 4.835 -10.157 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -11.327 3.645 -9.521 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -10.723 4.313 -11.751 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -11.150 2.670 -11.733 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -12.234 3.823 -12.349 1.00 2.54 H new ATOM 319 N ARG A 62 -16.237 -0.297 -6.525 1.00 0.88 N ATOM 320 CA ARG A 62 -17.290 -1.242 -6.199 1.00 0.89 C ATOM 321 C ARG A 62 -17.960 -0.915 -4.866 1.00 0.77 C ATOM 322 O ARG A 62 -19.187 -0.875 -4.774 1.00 0.82 O ATOM 323 CB ARG A 62 -16.708 -2.642 -6.138 1.00 0.93 C ATOM 324 CG ARG A 62 -16.802 -3.414 -7.437 1.00 1.21 C ATOM 325 CD ARG A 62 -16.210 -2.687 -8.623 1.00 1.21 C ATOM 326 NE ARG A 62 -16.387 -3.445 -9.862 1.00 1.85 N ATOM 327 CZ ARG A 62 -15.955 -3.045 -11.056 1.00 2.40 C ATOM 328 NH1 ARG A 62 -15.403 -1.847 -11.204 1.00 2.53 N ATOM 329 NH2 ARG A 62 -16.112 -3.834 -12.111 1.00 3.33 N ATOM 0 H ARG A 62 -15.322 -0.725 -6.667 1.00 0.88 H new ATOM 0 HA ARG A 62 -18.049 -1.177 -6.979 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -15.661 -2.575 -5.844 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -17.223 -3.203 -5.358 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -16.293 -4.371 -7.318 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.850 -3.634 -7.643 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -16.681 -1.709 -8.723 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -15.148 -2.513 -8.451 1.00 1.21 H new ATOM 0 HE ARG A 62 -16.874 -4.340 -9.807 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -15.308 -1.227 -10.400 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -15.074 -1.547 -12.122 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -16.562 -4.743 -12.005 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -15.782 -3.531 -13.028 1.00 3.33 H new ATOM 343 N GLU A 63 -17.151 -0.677 -3.840 1.00 0.68 N ATOM 344 CA GLU A 63 -17.668 -0.508 -2.484 1.00 0.63 C ATOM 345 C GLU A 63 -18.259 0.882 -2.254 1.00 0.66 C ATOM 346 O GLU A 63 -19.181 1.043 -1.452 1.00 0.73 O ATOM 347 CB GLU A 63 -16.579 -0.808 -1.457 1.00 0.59 C ATOM 348 CG GLU A 63 -15.308 0.007 -1.628 1.00 0.58 C ATOM 349 CD GLU A 63 -14.205 -0.490 -0.728 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.192 -0.096 0.455 1.00 1.25 O ATOM 351 OE2 GLU A 63 -13.390 -1.289 -1.164 1.00 1.21 O ATOM 0 H GLU A 63 -16.137 -0.597 -3.919 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.482 -1.223 -2.359 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.979 -0.628 -0.459 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.327 -1.867 -1.513 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -14.981 -0.042 -2.667 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.514 1.054 -1.408 1.00 0.58 H new ATOM 358 N GLY A 64 -17.727 1.882 -2.935 1.00 0.69 N ATOM 359 CA GLY A 64 -18.298 3.210 -2.839 1.00 0.74 C ATOM 360 C GLY A 64 -17.287 4.272 -2.461 1.00 0.72 C ATOM 361 O GLY A 64 -17.272 5.353 -3.049 1.00 0.86 O ATOM 0 H GLY A 64 -16.916 1.802 -3.549 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -18.750 3.473 -3.795 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.099 3.201 -2.099 1.00 0.74 H new ATOM 365 N ILE A 65 -16.441 3.978 -1.480 1.00 0.62 N ATOM 366 CA ILE A 65 -15.467 4.959 -1.020 1.00 0.67 C ATOM 367 C ILE A 65 -14.332 5.116 -2.023 1.00 0.81 C ATOM 368 O ILE A 65 -13.497 4.228 -2.194 1.00 1.76 O ATOM 369 CB ILE A 65 -14.890 4.624 0.379 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.264 3.232 0.422 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.970 4.742 1.438 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.620 2.911 1.755 1.00 0.49 C ATOM 0 H ILE A 65 -16.410 3.082 -0.994 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.006 5.903 -0.934 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.101 5.347 0.586 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.031 2.488 0.208 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.514 3.153 -0.365 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.549 4.504 2.415 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.359 5.760 1.449 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.779 4.047 1.212 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.194 1.908 1.721 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.831 3.634 1.961 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.371 2.959 2.543 1.00 0.49 H new ATOM 384 N ASN A 66 -14.310 6.259 -2.688 1.00 0.75 N ATOM 385 CA ASN A 66 -13.276 6.556 -3.666 1.00 0.69 C ATOM 386 C ASN A 66 -12.071 7.194 -2.982 1.00 0.61 C ATOM 387 O ASN A 66 -11.231 7.819 -3.634 1.00 0.64 O ATOM 388 CB ASN A 66 -13.807 7.491 -4.752 1.00 0.83 C ATOM 389 CG ASN A 66 -14.894 6.859 -5.604 1.00 1.38 C ATOM 390 OD1 ASN A 66 -14.912 5.648 -5.821 1.00 2.09 O ATOM 391 ND2 ASN A 66 -15.805 7.682 -6.101 1.00 2.10 N ATOM 0 H ASN A 66 -15.000 7.000 -2.568 1.00 0.75 H new ATOM 0 HA ASN A 66 -12.971 5.619 -4.132 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -14.199 8.395 -4.285 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -12.982 7.797 -5.395 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -16.556 7.317 -6.687 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -15.755 8.680 -5.898 1.00 2.10 H new ATOM 398 N ALA A 67 -12.003 7.039 -1.661 1.00 0.54 N ATOM 399 CA ALA A 67 -10.912 7.596 -0.864 1.00 0.49 C ATOM 400 C ALA A 67 -9.564 7.004 -1.272 1.00 0.44 C ATOM 401 O ALA A 67 -9.504 5.961 -1.927 1.00 0.45 O ATOM 402 CB ALA A 67 -11.172 7.341 0.610 1.00 0.47 C ATOM 0 H ALA A 67 -12.697 6.528 -1.116 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.871 8.670 -1.046 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.356 7.758 1.201 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -12.110 7.814 0.901 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.237 6.268 0.788 1.00 0.47 H new ATOM 408 N GLU A 68 -8.482 7.671 -0.881 1.00 0.44 N ATOM 409 CA GLU A 68 -7.142 7.223 -1.236 1.00 0.42 C ATOM 410 C GLU A 68 -6.784 5.950 -0.494 1.00 0.34 C ATOM 411 O GLU A 68 -7.002 5.833 0.710 1.00 0.35 O ATOM 412 CB GLU A 68 -6.103 8.299 -0.952 1.00 0.50 C ATOM 413 CG GLU A 68 -6.230 9.497 -1.867 1.00 0.78 C ATOM 414 CD GLU A 68 -6.069 9.141 -3.332 1.00 1.79 C ATOM 415 OE1 GLU A 68 -7.044 8.643 -3.935 1.00 2.59 O ATOM 416 OE2 GLU A 68 -4.965 9.341 -3.888 1.00 2.28 O ATOM 0 H GLU A 68 -8.508 8.522 -0.319 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.141 7.020 -2.307 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -6.201 8.627 0.083 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.106 7.871 -1.058 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -7.205 9.961 -1.716 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -5.479 10.238 -1.594 1.00 0.78 H new ATOM 423 N GLN A 69 -6.225 5.008 -1.222 1.00 0.31 N ATOM 424 CA GLN A 69 -5.894 3.707 -0.665 1.00 0.24 C ATOM 425 C GLN A 69 -4.473 3.704 -0.134 1.00 0.21 C ATOM 426 O GLN A 69 -3.514 3.617 -0.897 1.00 0.27 O ATOM 427 CB GLN A 69 -6.082 2.618 -1.718 1.00 0.29 C ATOM 428 CG GLN A 69 -7.526 2.467 -2.163 1.00 0.43 C ATOM 429 CD GLN A 69 -7.687 1.488 -3.305 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.794 1.332 -4.132 1.00 1.64 O ATOM 431 NE2 GLN A 69 -8.832 0.829 -3.360 1.00 0.76 N ATOM 0 H GLN A 69 -5.987 5.117 -2.208 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.568 3.500 0.167 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.462 2.847 -2.585 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.730 1.668 -1.317 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -8.129 2.135 -1.318 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.912 3.440 -2.467 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.547 0.990 -2.651 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.000 0.160 -4.111 1.00 0.76 H new ATOM 440 N ILE A 70 -4.354 3.819 1.178 1.00 0.19 N ATOM 441 CA ILE A 70 -3.059 3.902 1.833 1.00 0.17 C ATOM 442 C ILE A 70 -2.620 2.534 2.344 1.00 0.14 C ATOM 443 O ILE A 70 -3.152 2.040 3.340 1.00 0.14 O ATOM 444 CB ILE A 70 -3.109 4.889 3.011 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.691 6.225 2.549 1.00 0.27 C ATOM 446 CG2 ILE A 70 -1.720 5.086 3.599 1.00 0.21 C ATOM 447 CD1 ILE A 70 -3.864 7.226 3.665 1.00 0.36 C ATOM 0 H ILE A 70 -5.148 3.857 1.817 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.339 4.256 1.096 1.00 0.17 H new ATOM 0 HB ILE A 70 -3.753 4.477 3.788 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.039 6.652 1.787 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.658 6.047 2.078 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -1.773 5.787 4.432 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.336 4.130 3.954 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.053 5.482 2.833 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.281 8.150 3.264 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -4.540 6.819 4.417 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -2.896 7.433 4.121 1.00 0.36 H new ATOM 459 N VAL A 71 -1.667 1.920 1.657 1.00 0.15 N ATOM 460 CA VAL A 71 -1.151 0.616 2.061 1.00 0.15 C ATOM 461 C VAL A 71 -0.424 0.730 3.402 1.00 0.14 C ATOM 462 O VAL A 71 0.649 1.327 3.485 1.00 0.17 O ATOM 463 CB VAL A 71 -0.190 0.021 1.001 1.00 0.18 C ATOM 464 CG1 VAL A 71 0.233 -1.387 1.385 1.00 0.19 C ATOM 465 CG2 VAL A 71 -0.822 0.016 -0.384 1.00 0.20 C ATOM 0 H VAL A 71 -1.234 2.303 0.816 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.004 -0.056 2.158 1.00 0.15 H new ATOM 0 HB VAL A 71 0.694 0.658 0.969 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.907 -1.784 0.626 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.744 -1.364 2.348 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.648 -2.025 1.457 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.120 -0.408 -1.103 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -1.731 -0.585 -0.367 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.067 1.037 -0.676 1.00 0.20 H new ATOM 475 N ILE A 72 -1.031 0.183 4.450 1.00 0.14 N ATOM 476 CA ILE A 72 -0.454 0.230 5.788 1.00 0.17 C ATOM 477 C ILE A 72 0.262 -1.071 6.120 1.00 0.22 C ATOM 478 O ILE A 72 1.146 -1.106 6.973 1.00 0.29 O ATOM 479 CB ILE A 72 -1.527 0.485 6.859 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.649 -0.547 6.723 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.066 1.902 6.738 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.605 -0.575 7.889 1.00 0.21 C ATOM 0 H ILE A 72 -1.928 -0.301 4.397 1.00 0.14 H new ATOM 0 HA ILE A 72 0.259 1.055 5.791 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.082 0.380 7.848 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.210 -0.340 5.812 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.206 -1.536 6.606 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.825 2.069 7.502 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.252 2.614 6.873 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.508 2.040 5.751 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.369 -1.332 7.715 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.059 -0.814 8.802 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.079 0.401 7.995 1.00 0.21 H new ATOM 494 N LYS A 73 -0.138 -2.141 5.450 1.00 0.21 N ATOM 495 CA LYS A 73 0.498 -3.434 5.629 1.00 0.26 C ATOM 496 C LYS A 73 0.825 -4.045 4.283 1.00 0.24 C ATOM 497 O LYS A 73 0.041 -3.938 3.345 1.00 0.25 O ATOM 498 CB LYS A 73 -0.401 -4.391 6.400 1.00 0.35 C ATOM 499 CG LYS A 73 0.229 -5.760 6.604 1.00 0.41 C ATOM 500 CD LYS A 73 -0.673 -6.702 7.376 1.00 0.59 C ATOM 501 CE LYS A 73 -0.843 -6.270 8.824 1.00 1.22 C ATOM 502 NZ LYS A 73 0.419 -6.405 9.598 1.00 1.94 N ATOM 0 H LYS A 73 -0.903 -2.137 4.775 1.00 0.21 H new ATOM 0 HA LYS A 73 1.413 -3.274 6.199 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.637 -3.957 7.372 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.344 -4.506 5.865 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.462 -6.198 5.633 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.173 -5.647 7.137 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.650 -6.745 6.894 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.257 -7.709 7.345 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -1.179 -5.233 8.856 1.00 1.22 H new ATOM 0 HE3 LYS A 73 -1.622 -6.872 9.293 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 0.215 -6.315 10.614 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 0.843 -7.336 9.411 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 1.084 -5.658 9.311 1.00 1.94 H new ATOM 516 N ILE A 74 1.971 -4.688 4.196 1.00 0.28 N ATOM 517 CA ILE A 74 2.367 -5.374 2.982 1.00 0.31 C ATOM 518 C ILE A 74 2.755 -6.811 3.308 1.00 0.38 C ATOM 519 O ILE A 74 3.499 -7.053 4.258 1.00 0.41 O ATOM 520 CB ILE A 74 3.585 -4.722 2.304 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.620 -3.209 2.489 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.567 -5.049 0.830 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.919 -2.594 2.016 1.00 0.44 C ATOM 0 H ILE A 74 2.649 -4.750 4.956 1.00 0.28 H new ATOM 0 HA ILE A 74 1.513 -5.323 2.307 1.00 0.31 H new ATOM 0 HB ILE A 74 4.479 -5.126 2.779 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.790 -2.761 1.943 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.473 -2.972 3.543 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.428 -4.589 0.345 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.610 -6.130 0.697 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.650 -4.664 0.383 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.889 -1.516 2.171 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.749 -3.019 2.580 1.00 0.44 H new ATOM 0 HD13 ILE A 74 5.056 -2.804 0.955 1.00 0.44 H new ATOM 535 N THR A 75 2.261 -7.759 2.534 1.00 0.45 N ATOM 536 CA THR A 75 2.648 -9.149 2.705 1.00 0.54 C ATOM 537 C THR A 75 2.872 -9.804 1.351 1.00 0.60 C ATOM 538 O THR A 75 2.656 -9.184 0.309 1.00 0.71 O ATOM 539 CB THR A 75 1.596 -9.956 3.510 1.00 0.69 C ATOM 540 OG1 THR A 75 0.295 -9.828 2.918 1.00 0.79 O ATOM 541 CG2 THR A 75 1.539 -9.496 4.959 1.00 0.72 C ATOM 0 H THR A 75 1.592 -7.594 1.782 1.00 0.45 H new ATOM 0 HA THR A 75 3.577 -9.156 3.275 1.00 0.54 H new ATOM 0 HB THR A 75 1.901 -11.002 3.486 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.332 -9.180 2.184 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.793 -10.080 5.497 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.515 -9.637 5.424 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.269 -8.441 4.995 1.00 0.72 H new ATOM 549 N ASP A 76 3.303 -11.052 1.369 1.00 0.70 N ATOM 550 CA ASP A 76 3.543 -11.795 0.143 1.00 0.82 C ATOM 551 C ASP A 76 2.216 -12.308 -0.405 1.00 0.90 C ATOM 552 O ASP A 76 2.112 -12.723 -1.557 1.00 1.08 O ATOM 553 CB ASP A 76 4.504 -12.955 0.417 1.00 1.00 C ATOM 554 CG ASP A 76 4.989 -13.634 -0.846 1.00 1.46 C ATOM 555 OD1 ASP A 76 5.872 -13.073 -1.525 1.00 2.01 O ATOM 556 OD2 ASP A 76 4.463 -14.718 -1.184 1.00 2.15 O ATOM 0 H ASP A 76 3.495 -11.576 2.223 1.00 0.70 H new ATOM 0 HA ASP A 76 4.000 -11.142 -0.600 1.00 0.82 H new ATOM 0 HB2 ASP A 76 5.363 -12.583 0.976 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.006 -13.690 1.050 1.00 1.00 H new ATOM 561 N GLN A 77 1.195 -12.245 0.442 1.00 0.94 N ATOM 562 CA GLN A 77 -0.150 -12.679 0.084 1.00 1.14 C ATOM 563 C GLN A 77 -1.047 -11.477 -0.198 1.00 1.11 C ATOM 564 O GLN A 77 -2.273 -11.571 -0.132 1.00 1.49 O ATOM 565 CB GLN A 77 -0.747 -13.495 1.224 1.00 1.36 C ATOM 566 CG GLN A 77 0.056 -14.736 1.578 1.00 1.89 C ATOM 567 CD GLN A 77 -0.542 -15.507 2.738 1.00 2.52 C ATOM 568 OE1 GLN A 77 -1.757 -15.497 2.947 1.00 2.98 O ATOM 569 NE2 GLN A 77 0.302 -16.184 3.496 1.00 3.19 N ATOM 0 H GLN A 77 1.276 -11.892 1.395 1.00 0.94 H new ATOM 0 HA GLN A 77 -0.087 -13.291 -0.816 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -0.828 -12.862 2.108 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.759 -13.794 0.953 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.115 -15.387 0.706 1.00 1.89 H new ATOM 0 HG3 GLN A 77 1.076 -14.445 1.828 1.00 1.89 H new ATOM 0 HE21 GLN A 77 1.301 -16.166 3.289 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -0.045 -16.725 4.288 1.00 3.19 H new ATOM 578 N GLY A 78 -0.427 -10.345 -0.478 1.00 0.78 N ATOM 579 CA GLY A 78 -1.172 -9.138 -0.786 1.00 0.78 C ATOM 580 C GLY A 78 -0.853 -8.033 0.192 1.00 0.72 C ATOM 581 O GLY A 78 0.076 -8.162 0.980 1.00 0.99 O ATOM 0 H GLY A 78 0.587 -10.236 -0.499 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.936 -8.810 -1.798 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.241 -9.351 -0.761 1.00 0.78 H new ATOM 585 N TYR A 79 -1.597 -6.942 0.156 1.00 0.43 N ATOM 586 CA TYR A 79 -1.354 -5.855 1.092 1.00 0.36 C ATOM 587 C TYR A 79 -2.653 -5.352 1.691 1.00 0.28 C ATOM 588 O TYR A 79 -3.738 -5.641 1.185 1.00 0.28 O ATOM 589 CB TYR A 79 -0.608 -4.696 0.447 1.00 0.40 C ATOM 590 CG TYR A 79 0.003 -5.016 -0.883 1.00 1.14 C ATOM 591 CD1 TYR A 79 1.173 -5.747 -0.987 1.00 2.36 C ATOM 592 CD2 TYR A 79 -0.599 -4.571 -2.028 1.00 1.23 C ATOM 593 CE1 TYR A 79 1.730 -6.024 -2.213 1.00 3.09 C ATOM 594 CE2 TYR A 79 -0.058 -4.837 -3.264 1.00 1.86 C ATOM 595 CZ TYR A 79 1.114 -5.564 -3.350 1.00 2.67 C ATOM 596 OH TYR A 79 1.678 -5.823 -4.573 1.00 3.47 O ATOM 0 H TYR A 79 -2.363 -6.784 -0.499 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.726 -6.263 1.884 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.296 -3.860 0.325 1.00 0.40 H new ATOM 0 HB3 TYR A 79 0.179 -4.365 1.124 1.00 0.40 H new ATOM 0 HD1 TYR A 79 1.657 -6.106 -0.090 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -1.514 -4.001 -1.960 1.00 1.23 H new ATOM 0 HE1 TYR A 79 2.643 -6.598 -2.281 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -0.545 -4.481 -4.160 1.00 1.86 H new ATOM 0 HH TYR A 79 1.441 -6.731 -4.857 1.00 3.47 H new ATOM 606 N VAL A 80 -2.533 -4.601 2.770 1.00 0.29 N ATOM 607 CA VAL A 80 -3.688 -4.077 3.468 1.00 0.27 C ATOM 608 C VAL A 80 -3.643 -2.559 3.460 1.00 0.21 C ATOM 609 O VAL A 80 -2.670 -1.957 3.915 1.00 0.19 O ATOM 610 CB VAL A 80 -3.733 -4.581 4.924 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.120 -4.407 5.520 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.281 -6.031 4.995 1.00 0.40 C ATOM 0 H VAL A 80 -1.638 -4.339 3.184 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.584 -4.426 2.955 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.045 -3.980 5.518 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.123 -4.771 6.548 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.391 -3.351 5.508 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -5.842 -4.974 4.933 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -3.318 -6.373 6.029 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -3.941 -6.648 4.385 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.260 -6.113 4.622 1.00 0.40 H new ATOM 622 N THR A 81 -4.680 -1.945 2.926 1.00 0.22 N ATOM 623 CA THR A 81 -4.748 -0.501 2.838 1.00 0.22 C ATOM 624 C THR A 81 -5.759 0.051 3.832 1.00 0.22 C ATOM 625 O THR A 81 -6.855 -0.478 3.960 1.00 0.35 O ATOM 626 CB THR A 81 -5.140 -0.051 1.414 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.350 -0.701 1.001 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.040 -0.369 0.420 1.00 0.40 C ATOM 0 H THR A 81 -5.493 -2.429 2.544 1.00 0.22 H new ATOM 0 HA THR A 81 -3.758 -0.112 3.075 1.00 0.22 H new ATOM 0 HB THR A 81 -5.293 1.028 1.438 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.588 -0.406 0.097 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.343 -0.041 -0.575 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.126 0.149 0.710 1.00 0.40 H new ATOM 0 HG23 THR A 81 -3.859 -1.444 0.409 1.00 0.40 H new ATOM 636 N SER A 82 -5.394 1.103 4.537 1.00 0.19 N ATOM 637 CA SER A 82 -6.334 1.776 5.410 1.00 0.20 C ATOM 638 C SER A 82 -6.951 2.928 4.646 1.00 0.24 C ATOM 639 O SER A 82 -6.415 4.036 4.638 1.00 0.29 O ATOM 640 CB SER A 82 -5.646 2.287 6.677 1.00 0.25 C ATOM 641 OG SER A 82 -6.595 2.830 7.583 1.00 1.19 O ATOM 0 H SER A 82 -4.458 1.509 4.523 1.00 0.19 H new ATOM 0 HA SER A 82 -7.106 1.072 5.722 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.105 1.471 7.156 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.910 3.047 6.415 1.00 0.25 H new ATOM 0 HG SER A 82 -6.594 3.807 7.511 1.00 1.19 H new ATOM 647 N HIS A 83 -8.062 2.666 3.987 1.00 0.24 N ATOM 648 CA HIS A 83 -8.648 3.661 3.123 1.00 0.30 C ATOM 649 C HIS A 83 -10.073 3.995 3.546 1.00 0.29 C ATOM 650 O HIS A 83 -10.788 3.153 4.096 1.00 0.27 O ATOM 651 CB HIS A 83 -8.559 3.216 1.646 1.00 0.33 C ATOM 652 CG HIS A 83 -9.557 2.186 1.209 1.00 0.32 C ATOM 653 ND1 HIS A 83 -9.963 2.018 -0.111 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.283 1.303 1.935 1.00 0.28 C ATOM 655 CE1 HIS A 83 -10.909 1.067 -0.129 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.122 0.640 1.076 1.00 0.33 N ATOM 0 H HIS A 83 -8.569 1.782 4.034 1.00 0.24 H new ATOM 0 HA HIS A 83 -8.075 4.583 3.219 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.675 4.097 1.014 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.558 2.823 1.465 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.214 1.148 3.002 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.416 0.711 -1.014 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.802 -0.072 1.342 1.00 0.33 H new ATOM 664 N GLY A 84 -10.459 5.243 3.333 1.00 0.35 N ATOM 665 CA GLY A 84 -11.800 5.673 3.666 1.00 0.36 C ATOM 666 C GLY A 84 -12.021 5.774 5.161 1.00 0.36 C ATOM 667 O GLY A 84 -11.802 6.823 5.762 1.00 0.42 O ATOM 0 H GLY A 84 -9.864 5.969 2.933 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.992 6.643 3.207 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.519 4.972 3.242 1.00 0.36 H new ATOM 671 N ASP A 85 -12.463 4.677 5.751 1.00 0.33 N ATOM 672 CA ASP A 85 -12.763 4.629 7.175 1.00 0.36 C ATOM 673 C ASP A 85 -12.161 3.384 7.824 1.00 0.33 C ATOM 674 O ASP A 85 -12.033 3.301 9.047 1.00 0.38 O ATOM 675 CB ASP A 85 -14.286 4.648 7.362 1.00 0.42 C ATOM 676 CG ASP A 85 -14.732 4.314 8.775 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.478 5.119 9.692 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.357 3.248 8.972 1.00 1.59 O ATOM 0 H ASP A 85 -12.624 3.797 5.261 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.320 5.498 7.662 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.664 5.635 7.095 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.737 3.936 6.670 1.00 0.42 H new ATOM 683 N HIS A 86 -11.749 2.435 7.002 1.00 0.29 N ATOM 684 CA HIS A 86 -11.436 1.102 7.493 1.00 0.27 C ATOM 685 C HIS A 86 -10.154 0.549 6.900 1.00 0.23 C ATOM 686 O HIS A 86 -9.446 1.229 6.155 1.00 0.21 O ATOM 687 CB HIS A 86 -12.603 0.162 7.174 1.00 0.29 C ATOM 688 CG HIS A 86 -12.996 0.152 5.725 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.276 0.453 5.270 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.266 -0.166 4.620 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.285 0.300 3.933 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.105 -0.083 3.522 1.00 0.28 N ATOM 0 H HIS A 86 -11.624 2.560 5.997 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.285 1.173 8.570 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.334 -0.851 7.475 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.466 0.454 7.773 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.067 0.739 5.847 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.220 -0.435 4.603 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.140 0.469 3.295 1.00 0.30 H new ATOM 700 N TYR A 87 -9.857 -0.688 7.264 1.00 0.24 N ATOM 701 CA TYR A 87 -8.739 -1.409 6.692 1.00 0.22 C ATOM 702 C TYR A 87 -9.258 -2.343 5.615 1.00 0.22 C ATOM 703 O TYR A 87 -10.201 -3.099 5.846 1.00 0.26 O ATOM 704 CB TYR A 87 -8.010 -2.221 7.767 1.00 0.25 C ATOM 705 CG TYR A 87 -7.575 -1.403 8.956 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.045 -0.143 8.780 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.688 -1.894 10.248 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.638 0.617 9.847 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.284 -1.138 11.332 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.758 0.119 11.125 1.00 0.40 C ATOM 711 OH TYR A 87 -6.348 0.880 12.197 1.00 0.46 O ATOM 0 H TYR A 87 -10.383 -1.216 7.961 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.035 -0.694 6.265 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.664 -3.023 8.109 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.134 -2.692 7.322 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.948 0.255 7.781 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.097 -2.880 10.409 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.225 1.602 9.685 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.380 -1.529 12.334 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.502 0.384 13.028 1.00 0.46 H new ATOM 721 N HIS A 88 -8.650 -2.297 4.448 1.00 0.21 N ATOM 722 CA HIS A 88 -9.073 -3.138 3.355 1.00 0.25 C ATOM 723 C HIS A 88 -7.876 -3.862 2.757 1.00 0.26 C ATOM 724 O HIS A 88 -6.905 -3.246 2.321 1.00 0.28 O ATOM 725 CB HIS A 88 -9.814 -2.322 2.296 1.00 0.29 C ATOM 726 CG HIS A 88 -10.976 -3.065 1.727 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.175 -2.469 1.445 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.087 -4.386 1.423 1.00 0.43 C ATOM 729 CE1 HIS A 88 -12.988 -3.389 0.989 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.373 -4.585 0.954 1.00 0.51 N ATOM 0 H HIS A 88 -7.862 -1.685 4.235 1.00 0.21 H new ATOM 0 HA HIS A 88 -9.767 -3.886 3.738 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.162 -1.388 2.737 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.125 -2.059 1.494 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.318 -5.137 1.528 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.009 -3.212 0.684 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.777 -5.468 0.642 1.00 0.51 H new ATOM 738 N TYR A 89 -7.971 -5.174 2.751 1.00 0.28 N ATOM 739 CA TYR A 89 -6.870 -6.055 2.394 1.00 0.31 C ATOM 740 C TYR A 89 -7.146 -6.667 1.016 1.00 0.36 C ATOM 741 O TYR A 89 -8.291 -6.990 0.707 1.00 0.44 O ATOM 742 CB TYR A 89 -6.810 -7.132 3.492 1.00 0.45 C ATOM 743 CG TYR A 89 -5.605 -8.057 3.535 1.00 0.45 C ATOM 744 CD1 TYR A 89 -4.863 -8.361 2.410 1.00 0.45 C ATOM 745 CD2 TYR A 89 -5.246 -8.668 4.732 1.00 0.59 C ATOM 746 CE1 TYR A 89 -3.800 -9.233 2.462 1.00 0.50 C ATOM 747 CE2 TYR A 89 -4.176 -9.537 4.799 1.00 0.62 C ATOM 748 CZ TYR A 89 -3.455 -9.818 3.660 1.00 0.53 C ATOM 749 OH TYR A 89 -2.392 -10.697 3.720 1.00 0.60 O ATOM 0 H TYR A 89 -8.827 -5.671 2.997 1.00 0.28 H new ATOM 0 HA TYR A 89 -5.916 -5.531 2.330 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -6.875 -6.627 4.456 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -7.701 -7.753 3.397 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.124 -7.903 1.467 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -5.815 -8.458 5.626 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.239 -9.458 1.567 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -3.906 -9.994 5.739 1.00 0.62 H new ATOM 0 HH TYR A 89 -1.574 -10.241 3.433 1.00 0.60 H new ATOM 759 N TYR A 90 -6.121 -6.789 0.178 1.00 0.45 N ATOM 760 CA TYR A 90 -6.268 -7.470 -1.104 1.00 0.69 C ATOM 761 C TYR A 90 -4.935 -7.972 -1.637 1.00 0.55 C ATOM 762 O TYR A 90 -3.875 -7.454 -1.288 1.00 0.47 O ATOM 763 CB TYR A 90 -6.955 -6.584 -2.148 1.00 1.04 C ATOM 764 CG TYR A 90 -6.506 -5.145 -2.184 1.00 0.95 C ATOM 765 CD1 TYR A 90 -5.225 -4.789 -2.586 1.00 1.70 C ATOM 766 CD2 TYR A 90 -7.390 -4.139 -1.837 1.00 1.32 C ATOM 767 CE1 TYR A 90 -4.842 -3.463 -2.637 1.00 2.40 C ATOM 768 CE2 TYR A 90 -7.017 -2.818 -1.882 1.00 2.07 C ATOM 769 CZ TYR A 90 -5.743 -2.481 -2.283 1.00 2.47 C ATOM 770 OH TYR A 90 -5.371 -1.160 -2.337 1.00 3.42 O ATOM 0 H TYR A 90 -5.185 -6.428 0.362 1.00 0.45 H new ATOM 0 HA TYR A 90 -6.907 -8.334 -0.919 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.791 -7.021 -3.133 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -8.029 -6.605 -1.965 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -4.520 -5.559 -2.862 1.00 1.70 H new ATOM 0 HD2 TYR A 90 -8.391 -4.397 -1.525 1.00 1.32 H new ATOM 0 HE1 TYR A 90 -3.844 -3.197 -2.952 1.00 2.40 H new ATOM 0 HE2 TYR A 90 -7.720 -2.046 -1.604 1.00 2.07 H new ATOM 0 HH TYR A 90 -6.122 -0.597 -2.057 1.00 3.42 H new ATOM 780 N ASN A 91 -5.003 -8.995 -2.479 1.00 0.67 N ATOM 781 CA ASN A 91 -3.815 -9.574 -3.091 1.00 0.59 C ATOM 782 C ASN A 91 -3.645 -9.008 -4.494 1.00 0.49 C ATOM 783 O ASN A 91 -4.629 -8.707 -5.172 1.00 0.69 O ATOM 784 CB ASN A 91 -3.933 -11.102 -3.158 1.00 0.85 C ATOM 785 CG ASN A 91 -2.595 -11.801 -3.355 1.00 1.27 C ATOM 786 OD1 ASN A 91 -1.653 -11.241 -3.915 1.00 1.58 O ATOM 787 ND2 ASN A 91 -2.505 -13.041 -2.903 1.00 2.04 N ATOM 0 H ASN A 91 -5.876 -9.444 -2.755 1.00 0.67 H new ATOM 0 HA ASN A 91 -2.945 -9.322 -2.484 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -4.393 -11.465 -2.239 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -4.600 -11.372 -3.976 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -1.635 -13.562 -3.014 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -3.305 -13.476 -2.443 1.00 2.04 H new ATOM 794 N GLY A 92 -2.407 -8.878 -4.927 1.00 0.40 N ATOM 795 CA GLY A 92 -2.125 -8.299 -6.218 1.00 0.41 C ATOM 796 C GLY A 92 -0.880 -7.449 -6.182 1.00 0.33 C ATOM 797 O GLY A 92 0.064 -7.764 -5.455 1.00 0.47 O ATOM 0 H GLY A 92 -1.582 -9.167 -4.401 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -2.004 -9.093 -6.955 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.972 -7.692 -6.539 1.00 0.41 H new ATOM 801 N LYS A 93 -0.876 -6.381 -6.963 1.00 0.40 N ATOM 802 CA LYS A 93 0.244 -5.451 -7.000 1.00 0.35 C ATOM 803 C LYS A 93 -0.228 -4.017 -6.797 1.00 0.35 C ATOM 804 O LYS A 93 -1.228 -3.595 -7.382 1.00 0.47 O ATOM 805 CB LYS A 93 0.975 -5.585 -8.332 1.00 0.36 C ATOM 806 CG LYS A 93 1.573 -6.962 -8.539 1.00 0.39 C ATOM 807 CD LYS A 93 3.027 -7.025 -8.088 1.00 0.63 C ATOM 808 CE LYS A 93 3.969 -6.467 -9.133 1.00 1.42 C ATOM 809 NZ LYS A 93 4.013 -7.314 -10.354 1.00 2.03 N ATOM 0 H LYS A 93 -1.644 -6.134 -7.587 1.00 0.40 H new ATOM 0 HA LYS A 93 0.927 -5.696 -6.186 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.282 -5.369 -9.145 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.768 -4.839 -8.383 1.00 0.36 H new ATOM 0 HG2 LYS A 93 0.989 -7.698 -7.986 1.00 0.39 H new ATOM 0 HG3 LYS A 93 1.508 -7.231 -9.593 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.143 -6.466 -7.160 1.00 0.63 H new ATOM 0 HD3 LYS A 93 3.296 -8.059 -7.873 1.00 0.63 H new ATOM 0 HE2 LYS A 93 3.655 -5.459 -9.403 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.971 -6.387 -8.712 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 4.866 -7.086 -10.904 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 4.035 -8.317 -10.080 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 3.169 -7.132 -10.933 1.00 2.03 H new ATOM 823 N VAL A 94 0.490 -3.282 -5.947 1.00 0.31 N ATOM 824 CA VAL A 94 0.192 -1.876 -5.694 1.00 0.29 C ATOM 825 C VAL A 94 0.257 -1.096 -7.002 1.00 0.28 C ATOM 826 O VAL A 94 1.237 -1.202 -7.739 1.00 0.30 O ATOM 827 CB VAL A 94 1.194 -1.235 -4.697 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.755 0.169 -4.327 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.362 -2.075 -3.442 1.00 0.41 C ATOM 0 H VAL A 94 1.286 -3.642 -5.420 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.806 -1.833 -5.259 1.00 0.29 H new ATOM 0 HB VAL A 94 2.161 -1.188 -5.198 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.470 0.601 -3.627 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.709 0.784 -5.225 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.230 0.132 -3.862 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.072 -1.590 -2.772 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.400 -2.176 -2.940 1.00 0.41 H new ATOM 0 HG23 VAL A 94 1.735 -3.063 -3.713 1.00 0.41 H new ATOM 839 N PRO A 95 -0.781 -0.318 -7.323 1.00 0.27 N ATOM 840 CA PRO A 95 -0.783 0.481 -8.532 1.00 0.28 C ATOM 841 C PRO A 95 0.194 1.638 -8.440 1.00 0.25 C ATOM 842 O PRO A 95 0.589 2.034 -7.342 1.00 0.27 O ATOM 843 CB PRO A 95 -2.211 0.996 -8.650 1.00 0.33 C ATOM 844 CG PRO A 95 -2.780 0.917 -7.282 1.00 0.33 C ATOM 845 CD PRO A 95 -2.015 -0.151 -6.539 1.00 0.30 C ATOM 0 HA PRO A 95 -0.473 -0.102 -9.399 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.228 2.020 -9.023 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.789 0.392 -9.350 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.692 1.877 -6.773 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.842 0.673 -7.321 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.799 0.153 -5.515 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.581 -1.081 -6.483 1.00 0.30 H new ATOM 853 N TYR A 96 0.581 2.167 -9.581 1.00 0.26 N ATOM 854 CA TYR A 96 1.575 3.227 -9.636 1.00 0.27 C ATOM 855 C TYR A 96 1.167 4.399 -8.742 1.00 0.26 C ATOM 856 O TYR A 96 1.956 4.867 -7.921 1.00 0.30 O ATOM 857 CB TYR A 96 1.733 3.688 -11.092 1.00 0.33 C ATOM 858 CG TYR A 96 3.066 4.329 -11.417 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.709 5.146 -10.506 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.675 4.121 -12.648 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.917 5.737 -10.801 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.887 4.709 -12.953 1.00 0.68 C ATOM 863 CZ TYR A 96 5.504 5.517 -12.025 1.00 0.51 C ATOM 864 OH TYR A 96 6.712 6.109 -12.317 1.00 0.59 O ATOM 0 H TYR A 96 0.221 1.880 -10.491 1.00 0.26 H new ATOM 0 HA TYR A 96 2.529 2.847 -9.269 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.590 2.829 -11.747 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.939 4.399 -11.321 1.00 0.33 H new ATOM 0 HD1 TYR A 96 3.254 5.324 -9.543 1.00 0.30 H new ATOM 0 HD2 TYR A 96 3.193 3.489 -13.379 1.00 0.61 H new ATOM 0 HE1 TYR A 96 5.402 6.371 -10.074 1.00 0.35 H new ATOM 0 HE2 TYR A 96 5.348 4.536 -13.914 1.00 0.68 H new ATOM 0 HH TYR A 96 6.992 5.853 -13.220 1.00 0.59 H new ATOM 874 N ASP A 97 -0.082 4.826 -8.856 1.00 0.28 N ATOM 875 CA ASP A 97 -0.527 6.040 -8.178 1.00 0.33 C ATOM 876 C ASP A 97 -1.211 5.745 -6.840 1.00 0.32 C ATOM 877 O ASP A 97 -1.945 6.589 -6.315 1.00 0.38 O ATOM 878 CB ASP A 97 -1.466 6.849 -9.077 1.00 0.43 C ATOM 879 CG ASP A 97 -2.716 6.086 -9.464 1.00 1.07 C ATOM 880 OD1 ASP A 97 -2.681 5.331 -10.459 1.00 1.82 O ATOM 881 OD2 ASP A 97 -3.738 6.228 -8.764 1.00 1.07 O ATOM 0 H ASP A 97 -0.802 4.357 -9.406 1.00 0.28 H new ATOM 0 HA ASP A 97 0.367 6.627 -7.967 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -1.751 7.767 -8.563 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -0.932 7.143 -9.980 1.00 0.43 H new ATOM 886 N ALA A 98 -0.970 4.561 -6.282 1.00 0.27 N ATOM 887 CA ALA A 98 -1.487 4.228 -4.956 1.00 0.27 C ATOM 888 C ALA A 98 -0.783 5.049 -3.887 1.00 0.26 C ATOM 889 O ALA A 98 0.185 5.753 -4.172 1.00 0.40 O ATOM 890 CB ALA A 98 -1.313 2.752 -4.659 1.00 0.30 C ATOM 0 H ALA A 98 -0.424 3.821 -6.723 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.551 4.464 -4.947 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.706 2.532 -3.666 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.854 2.165 -5.402 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.254 2.496 -4.695 1.00 0.30 H new ATOM 896 N ILE A 99 -1.295 4.976 -2.666 1.00 0.18 N ATOM 897 CA ILE A 99 -0.707 5.679 -1.541 1.00 0.17 C ATOM 898 C ILE A 99 -0.177 4.683 -0.506 1.00 0.16 C ATOM 899 O ILE A 99 -0.775 3.631 -0.284 1.00 0.16 O ATOM 900 CB ILE A 99 -1.755 6.588 -0.881 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.446 7.445 -1.940 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.123 7.462 0.187 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.517 8.355 -2.709 1.00 0.29 C ATOM 0 H ILE A 99 -2.124 4.431 -2.431 1.00 0.18 H new ATOM 0 HA ILE A 99 0.120 6.285 -1.910 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.501 5.958 -0.397 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.957 6.789 -2.644 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.211 8.052 -1.456 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.887 8.095 0.638 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.675 6.831 0.955 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.353 8.088 -0.264 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -2.090 8.927 -3.439 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -1.024 9.039 -2.018 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.766 7.757 -3.225 1.00 0.29 H new ATOM 915 N ILE A 100 0.947 5.008 0.114 1.00 0.17 N ATOM 916 CA ILE A 100 1.546 4.147 1.122 1.00 0.18 C ATOM 917 C ILE A 100 1.590 4.841 2.483 1.00 0.18 C ATOM 918 O ILE A 100 1.654 6.071 2.575 1.00 0.20 O ATOM 919 CB ILE A 100 2.982 3.749 0.725 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.998 3.108 -0.661 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.577 2.799 1.757 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.379 1.726 -0.714 1.00 0.23 C ATOM 0 H ILE A 100 1.466 5.868 -0.065 1.00 0.17 H new ATOM 0 HA ILE A 100 0.925 3.254 1.190 1.00 0.18 H new ATOM 0 HB ILE A 100 3.592 4.652 0.694 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.467 3.759 -1.356 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.029 3.045 -1.008 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.591 2.529 1.461 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.602 3.289 2.731 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.965 1.899 1.819 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.431 1.343 -1.733 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.923 1.058 -0.047 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.337 1.782 -0.400 1.00 0.23 H new ATOM 934 N SER A 101 1.538 4.038 3.534 1.00 0.20 N ATOM 935 CA SER A 101 1.711 4.519 4.888 1.00 0.20 C ATOM 936 C SER A 101 3.184 4.783 5.170 1.00 0.20 C ATOM 937 O SER A 101 4.060 4.014 4.764 1.00 0.23 O ATOM 938 CB SER A 101 1.174 3.486 5.876 1.00 0.22 C ATOM 939 OG SER A 101 1.441 3.867 7.212 1.00 0.89 O ATOM 0 H SER A 101 1.374 3.033 3.468 1.00 0.20 H new ATOM 0 HA SER A 101 1.158 5.451 5.003 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.099 3.370 5.736 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.628 2.516 5.674 1.00 0.22 H new ATOM 0 HG SER A 101 1.049 3.210 7.824 1.00 0.89 H new ATOM 945 N GLU A 102 3.440 5.872 5.884 1.00 0.20 N ATOM 946 CA GLU A 102 4.791 6.272 6.252 1.00 0.21 C ATOM 947 C GLU A 102 5.448 5.225 7.154 1.00 0.24 C ATOM 948 O GLU A 102 6.670 5.207 7.315 1.00 0.29 O ATOM 949 CB GLU A 102 4.740 7.634 6.953 1.00 0.25 C ATOM 950 CG GLU A 102 4.070 7.600 8.320 1.00 0.31 C ATOM 951 CD GLU A 102 5.010 7.964 9.452 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.157 7.467 9.455 1.00 1.22 O ATOM 953 OE2 GLU A 102 4.615 8.748 10.338 1.00 1.71 O ATOM 0 H GLU A 102 2.715 6.503 6.224 1.00 0.20 H new ATOM 0 HA GLU A 102 5.396 6.352 5.349 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.756 8.011 7.067 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.207 8.340 6.316 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.225 8.289 8.321 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.668 6.602 8.496 1.00 0.31 H new ATOM 960 N GLU A 103 4.626 4.343 7.719 1.00 0.27 N ATOM 961 CA GLU A 103 5.098 3.292 8.613 1.00 0.34 C ATOM 962 C GLU A 103 5.965 2.290 7.867 1.00 0.31 C ATOM 963 O GLU A 103 6.839 1.651 8.449 1.00 0.41 O ATOM 964 CB GLU A 103 3.915 2.547 9.220 1.00 0.43 C ATOM 965 CG GLU A 103 2.870 3.446 9.832 1.00 0.67 C ATOM 966 CD GLU A 103 1.672 2.682 10.347 1.00 1.15 C ATOM 967 OE1 GLU A 103 1.737 2.167 11.483 1.00 1.48 O ATOM 968 OE2 GLU A 103 0.665 2.586 9.616 1.00 1.42 O ATOM 0 H GLU A 103 3.617 4.338 7.569 1.00 0.27 H new ATOM 0 HA GLU A 103 5.687 3.767 9.398 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.447 1.938 8.446 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.284 1.863 9.985 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.316 4.009 10.652 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.541 4.172 9.089 1.00 0.67 H new ATOM 975 N LEU A 104 5.718 2.160 6.574 1.00 0.23 N ATOM 976 CA LEU A 104 6.349 1.120 5.780 1.00 0.25 C ATOM 977 C LEU A 104 7.544 1.643 5.002 1.00 0.27 C ATOM 978 O LEU A 104 8.194 0.884 4.281 1.00 0.29 O ATOM 979 CB LEU A 104 5.331 0.515 4.820 1.00 0.27 C ATOM 980 CG LEU A 104 4.186 -0.232 5.491 1.00 0.28 C ATOM 981 CD1 LEU A 104 3.129 -0.601 4.470 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.714 -1.476 6.180 1.00 0.30 C ATOM 0 H LEU A 104 5.083 2.764 6.051 1.00 0.23 H new ATOM 0 HA LEU A 104 6.713 0.355 6.466 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.915 1.312 4.204 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.848 -0.170 4.148 1.00 0.27 H new ATOM 0 HG LEU A 104 3.730 0.417 6.239 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.317 -1.134 4.964 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.739 0.305 4.006 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.570 -1.240 3.704 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.889 -2.005 6.658 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.185 -2.127 5.444 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.447 -1.191 6.934 1.00 0.30 H new ATOM 994 N LEU A 105 7.844 2.926 5.144 1.00 0.43 N ATOM 995 CA LEU A 105 8.949 3.512 4.421 1.00 0.54 C ATOM 996 C LEU A 105 10.265 2.868 4.804 1.00 0.46 C ATOM 997 O LEU A 105 10.572 2.681 5.982 1.00 0.53 O ATOM 998 CB LEU A 105 9.023 5.009 4.657 1.00 0.88 C ATOM 999 CG LEU A 105 8.002 5.831 3.890 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.242 7.307 4.124 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.095 5.512 2.413 1.00 1.09 C ATOM 0 H LEU A 105 7.338 3.572 5.750 1.00 0.43 H new ATOM 0 HA LEU A 105 8.771 3.330 3.361 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.895 5.200 5.722 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.021 5.355 4.389 1.00 0.88 H new ATOM 0 HG LEU A 105 7.002 5.581 4.244 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.505 7.888 3.570 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.151 7.526 5.188 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.243 7.571 3.783 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.361 6.104 1.866 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.095 5.750 2.052 1.00 1.09 H new ATOM 0 HD23 LEU A 105 7.896 4.452 2.256 1.00 1.09 H new ATOM 1013 N MET A 106 11.026 2.531 3.789 1.00 0.41 N ATOM 1014 CA MET A 106 12.330 1.936 3.967 1.00 0.45 C ATOM 1015 C MET A 106 13.356 3.000 4.299 1.00 0.92 C ATOM 1016 O MET A 106 13.620 3.887 3.487 1.00 1.28 O ATOM 1017 CB MET A 106 12.763 1.212 2.697 1.00 0.27 C ATOM 1018 CG MET A 106 14.228 0.830 2.714 1.00 0.30 C ATOM 1019 SD MET A 106 14.628 -0.369 3.994 1.00 1.05 S ATOM 1020 CE MET A 106 14.853 -1.826 2.991 1.00 0.50 C ATOM 0 H MET A 106 10.757 2.662 2.814 1.00 0.41 H new ATOM 0 HA MET A 106 12.265 1.223 4.789 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.159 0.314 2.572 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.568 1.850 1.835 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.502 0.420 1.742 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.830 1.727 2.863 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.598 -2.711 3.573 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.206 -1.769 2.116 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.893 -1.890 2.670 1.00 0.50 H new ATOM 1092 N TYR A 111 20.955 0.658 3.248 1.00 0.95 N ATOM 1093 CA TYR A 111 19.961 0.321 2.226 1.00 0.70 C ATOM 1094 C TYR A 111 20.316 0.822 0.843 1.00 0.60 C ATOM 1095 O TYR A 111 20.772 1.950 0.663 1.00 0.80 O ATOM 1096 CB TYR A 111 18.594 0.875 2.623 1.00 0.70 C ATOM 1097 CG TYR A 111 17.570 0.931 1.513 1.00 0.76 C ATOM 1098 CD1 TYR A 111 17.310 -0.182 0.725 1.00 0.94 C ATOM 1099 CD2 TYR A 111 16.903 2.103 1.223 1.00 0.89 C ATOM 1100 CE1 TYR A 111 16.400 -0.118 -0.310 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.001 2.178 0.183 1.00 1.12 C ATOM 1102 CZ TYR A 111 15.635 0.992 -0.468 1.00 1.23 C ATOM 1103 OH TYR A 111 14.860 1.162 -1.602 1.00 1.57 O ATOM 0 HA TYR A 111 19.940 -0.768 2.175 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.194 0.264 3.432 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.730 1.881 3.020 1.00 0.70 H new ATOM 0 HD1 TYR A 111 17.826 -1.109 0.925 1.00 0.94 H new ATOM 0 HD2 TYR A 111 17.091 2.981 1.823 1.00 0.89 H new ATOM 0 HE1 TYR A 111 16.297 -0.949 -0.992 1.00 1.18 H new ATOM 0 HE2 TYR A 111 15.587 3.127 -0.123 1.00 1.12 H new ATOM 0 HH TYR A 111 15.092 2.012 -2.032 1.00 1.57 H new ATOM 1113 N GLN A 112 20.099 -0.053 -0.124 1.00 0.53 N ATOM 1114 CA GLN A 112 20.062 0.320 -1.509 1.00 0.55 C ATOM 1115 C GLN A 112 18.910 -0.378 -2.206 1.00 0.45 C ATOM 1116 O GLN A 112 18.633 -1.547 -1.935 1.00 0.47 O ATOM 1117 CB GLN A 112 21.372 -0.030 -2.185 1.00 0.70 C ATOM 1118 CG GLN A 112 22.526 0.859 -1.786 1.00 1.30 C ATOM 1119 CD GLN A 112 23.763 0.616 -2.625 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.673 0.251 -3.799 1.00 1.64 O ATOM 1121 NE2 GLN A 112 24.927 0.799 -2.030 1.00 2.05 N ATOM 0 H GLN A 112 19.944 -1.047 0.042 1.00 0.53 H new ATOM 0 HA GLN A 112 19.914 1.398 -1.576 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.625 -1.064 -1.950 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.239 0.028 -3.265 1.00 0.70 H new ATOM 0 HG2 GLN A 112 22.226 1.903 -1.881 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.764 0.690 -0.736 1.00 1.30 H new ATOM 0 HE21 GLN A 112 24.960 1.102 -1.057 1.00 2.05 H new ATOM 0 HE22 GLN A 112 25.793 0.638 -2.544 1.00 2.05 H new ATOM 1130 N LEU A 113 18.229 0.356 -3.081 1.00 0.40 N ATOM 1131 CA LEU A 113 17.078 -0.165 -3.794 1.00 0.33 C ATOM 1132 C LEU A 113 17.489 -1.338 -4.671 1.00 0.36 C ATOM 1133 O LEU A 113 18.100 -1.160 -5.726 1.00 0.43 O ATOM 1134 CB LEU A 113 16.443 0.942 -4.634 1.00 0.32 C ATOM 1135 CG LEU A 113 15.180 0.541 -5.394 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.074 0.157 -4.427 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.736 1.673 -6.300 1.00 0.35 C ATOM 0 H LEU A 113 18.461 1.322 -3.311 1.00 0.40 H new ATOM 0 HA LEU A 113 16.342 -0.520 -3.073 1.00 0.33 H new ATOM 0 HB2 LEU A 113 16.203 1.780 -3.979 1.00 0.32 H new ATOM 0 HB3 LEU A 113 17.181 1.300 -5.352 1.00 0.32 H new ATOM 0 HG LEU A 113 15.404 -0.329 -6.012 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.183 -0.125 -4.987 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.401 -0.685 -3.816 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.844 1.005 -3.782 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.835 1.377 -6.837 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.526 2.558 -5.700 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.527 1.898 -7.015 1.00 0.35 H new ATOM 1149 N LYS A 114 17.150 -2.533 -4.225 1.00 0.40 N ATOM 1150 CA LYS A 114 17.583 -3.745 -4.895 1.00 0.47 C ATOM 1151 C LYS A 114 16.653 -4.074 -6.038 1.00 0.37 C ATOM 1152 O LYS A 114 15.476 -4.351 -5.823 1.00 0.33 O ATOM 1153 CB LYS A 114 17.612 -4.919 -3.923 1.00 0.63 C ATOM 1154 CG LYS A 114 18.868 -5.758 -4.015 1.00 0.90 C ATOM 1155 CD LYS A 114 20.115 -4.903 -3.868 1.00 1.14 C ATOM 1156 CE LYS A 114 21.372 -5.753 -3.805 1.00 1.51 C ATOM 1157 NZ LYS A 114 21.353 -6.697 -2.654 1.00 2.09 N ATOM 0 H LYS A 114 16.574 -2.691 -3.398 1.00 0.40 H new ATOM 0 HA LYS A 114 18.588 -3.573 -5.279 1.00 0.47 H new ATOM 0 HB2 LYS A 114 17.514 -4.539 -2.906 1.00 0.63 H new ATOM 0 HB3 LYS A 114 16.747 -5.555 -4.110 1.00 0.63 H new ATOM 0 HG2 LYS A 114 18.855 -6.522 -3.238 1.00 0.90 H new ATOM 0 HG3 LYS A 114 18.892 -6.277 -4.973 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.184 -4.212 -4.708 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.038 -4.299 -2.964 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.475 -6.316 -4.733 1.00 1.51 H new ATOM 0 HE3 LYS A 114 22.244 -5.104 -3.727 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 22.321 -7.018 -2.452 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 20.966 -6.216 -1.817 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 20.758 -7.518 -2.888 1.00 2.09 H new ATOM 1171 N ASP A 115 17.197 -4.058 -7.244 1.00 0.40 N ATOM 1172 CA ASP A 115 16.439 -4.387 -8.444 1.00 0.41 C ATOM 1173 C ASP A 115 15.817 -5.770 -8.319 1.00 0.38 C ATOM 1174 O ASP A 115 14.747 -6.037 -8.866 1.00 0.42 O ATOM 1175 CB ASP A 115 17.345 -4.339 -9.676 1.00 0.53 C ATOM 1176 CG ASP A 115 17.860 -2.946 -9.974 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.191 -2.210 -10.729 1.00 1.11 O ATOM 1178 OD2 ASP A 115 18.942 -2.585 -9.460 1.00 1.88 O ATOM 0 H ASP A 115 18.173 -3.818 -7.420 1.00 0.40 H new ATOM 0 HA ASP A 115 15.644 -3.650 -8.558 1.00 0.41 H new ATOM 0 HB2 ASP A 115 18.191 -5.009 -9.525 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.795 -4.710 -10.540 1.00 0.53 H new ATOM 1183 N SER A 116 16.491 -6.641 -7.580 1.00 0.38 N ATOM 1184 CA SER A 116 16.019 -7.997 -7.365 1.00 0.44 C ATOM 1185 C SER A 116 14.949 -8.047 -6.271 1.00 0.40 C ATOM 1186 O SER A 116 14.076 -8.915 -6.294 1.00 0.51 O ATOM 1187 CB SER A 116 17.197 -8.906 -6.998 1.00 0.54 C ATOM 1188 OG SER A 116 16.797 -10.263 -6.908 1.00 0.92 O ATOM 0 H SER A 116 17.374 -6.427 -7.117 1.00 0.38 H new ATOM 0 HA SER A 116 15.565 -8.351 -8.291 1.00 0.44 H new ATOM 0 HB2 SER A 116 17.982 -8.806 -7.747 1.00 0.54 H new ATOM 0 HB3 SER A 116 17.622 -8.587 -6.046 1.00 0.54 H new ATOM 0 HG SER A 116 17.571 -10.817 -6.674 1.00 0.92 H new ATOM 1194 N ASP A 117 14.989 -7.103 -5.329 1.00 0.28 N ATOM 1195 CA ASP A 117 14.066 -7.134 -4.194 1.00 0.28 C ATOM 1196 C ASP A 117 12.812 -6.337 -4.502 1.00 0.22 C ATOM 1197 O ASP A 117 11.837 -6.360 -3.749 1.00 0.24 O ATOM 1198 CB ASP A 117 14.735 -6.601 -2.925 1.00 0.34 C ATOM 1199 CG ASP A 117 15.776 -7.558 -2.377 1.00 1.08 C ATOM 1200 OD1 ASP A 117 15.737 -8.757 -2.729 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.647 -7.116 -1.599 1.00 1.04 O ATOM 0 H ASP A 117 15.641 -6.318 -5.328 1.00 0.28 H new ATOM 0 HA ASP A 117 13.786 -8.173 -4.020 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.205 -5.641 -3.140 1.00 0.34 H new ATOM 0 HB3 ASP A 117 13.975 -6.420 -2.165 1.00 0.34 H new ATOM 1206 N ILE A 118 12.847 -5.631 -5.613 1.00 0.23 N ATOM 1207 CA ILE A 118 11.701 -4.880 -6.082 1.00 0.22 C ATOM 1208 C ILE A 118 10.613 -5.820 -6.576 1.00 0.26 C ATOM 1209 O ILE A 118 10.787 -6.518 -7.576 1.00 0.34 O ATOM 1210 CB ILE A 118 12.106 -3.927 -7.222 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.036 -2.838 -6.690 1.00 0.26 C ATOM 1212 CG2 ILE A 118 10.871 -3.316 -7.872 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.819 -2.129 -7.771 1.00 0.32 C ATOM 0 H ILE A 118 13.668 -5.562 -6.215 1.00 0.23 H new ATOM 0 HA ILE A 118 11.319 -4.295 -5.245 1.00 0.22 H new ATOM 0 HB ILE A 118 12.640 -4.496 -7.983 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.446 -2.105 -6.140 1.00 0.26 H new ATOM 0 HG13 ILE A 118 13.734 -3.283 -5.980 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.177 -2.645 -8.675 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.245 -4.109 -8.280 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.307 -2.756 -7.126 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.457 -1.370 -7.319 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.436 -2.851 -8.306 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.129 -1.655 -8.469 1.00 0.32 H new ATOM 1225 N VAL A 119 9.503 -5.859 -5.860 1.00 0.24 N ATOM 1226 CA VAL A 119 8.356 -6.614 -6.307 1.00 0.31 C ATOM 1227 C VAL A 119 7.519 -5.748 -7.235 1.00 0.27 C ATOM 1228 O VAL A 119 7.006 -6.214 -8.253 1.00 0.31 O ATOM 1229 CB VAL A 119 7.484 -7.098 -5.132 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.354 -7.972 -5.647 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.321 -7.845 -4.103 1.00 0.38 C ATOM 0 H VAL A 119 9.376 -5.377 -4.970 1.00 0.24 H new ATOM 0 HA VAL A 119 8.721 -7.497 -6.831 1.00 0.31 H new ATOM 0 HB VAL A 119 7.054 -6.226 -4.639 1.00 0.36 H new ATOM 0 HG11 VAL A 119 5.744 -8.309 -4.809 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.736 -7.398 -6.338 1.00 0.47 H new ATOM 0 HG13 VAL A 119 6.770 -8.837 -6.164 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.682 -8.176 -3.285 1.00 0.38 H new ATOM 0 HG22 VAL A 119 8.787 -8.712 -4.573 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.095 -7.183 -3.714 1.00 0.38 H new ATOM 1241 N ASN A 120 7.409 -4.474 -6.883 1.00 0.25 N ATOM 1242 CA ASN A 120 6.641 -3.524 -7.678 1.00 0.24 C ATOM 1243 C ASN A 120 7.163 -2.103 -7.479 1.00 0.23 C ATOM 1244 O ASN A 120 7.851 -1.806 -6.503 1.00 0.26 O ATOM 1245 CB ASN A 120 5.160 -3.610 -7.299 1.00 0.31 C ATOM 1246 CG ASN A 120 4.259 -2.720 -8.130 1.00 0.54 C ATOM 1247 OD1 ASN A 120 3.807 -3.102 -9.207 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.966 -1.539 -7.616 1.00 0.36 N ATOM 0 H ASN A 120 7.842 -4.074 -6.051 1.00 0.25 H new ATOM 0 HA ASN A 120 6.753 -3.778 -8.732 1.00 0.24 H new ATOM 0 HB2 ASN A 120 4.828 -4.643 -7.402 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.048 -3.343 -6.248 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.343 -0.905 -8.116 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.363 -1.261 -6.719 1.00 0.36 H new ATOM 1255 N GLU A 121 6.822 -1.240 -8.412 1.00 0.24 N ATOM 1256 CA GLU A 121 7.233 0.155 -8.379 1.00 0.25 C ATOM 1257 C GLU A 121 6.009 1.053 -8.336 1.00 0.25 C ATOM 1258 O GLU A 121 5.029 0.823 -9.046 1.00 0.32 O ATOM 1259 CB GLU A 121 8.099 0.481 -9.600 1.00 0.31 C ATOM 1260 CG GLU A 121 8.240 1.968 -9.909 1.00 0.35 C ATOM 1261 CD GLU A 121 8.646 2.214 -11.347 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.689 1.678 -11.780 1.00 1.24 O ATOM 1263 OE2 GLU A 121 7.922 2.934 -12.061 1.00 1.17 O ATOM 0 H GLU A 121 6.249 -1.483 -9.220 1.00 0.24 H new ATOM 0 HA GLU A 121 7.826 0.331 -7.482 1.00 0.25 H new ATOM 0 HB2 GLU A 121 9.093 0.061 -9.445 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.675 -0.018 -10.472 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.294 2.471 -9.709 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.982 2.408 -9.243 1.00 0.35 H new ATOM 1270 N ILE A 122 6.062 2.060 -7.489 1.00 0.21 N ATOM 1271 CA ILE A 122 4.963 2.990 -7.339 1.00 0.23 C ATOM 1272 C ILE A 122 5.461 4.404 -7.576 1.00 0.26 C ATOM 1273 O ILE A 122 6.617 4.596 -7.943 1.00 0.25 O ATOM 1274 CB ILE A 122 4.294 2.870 -5.961 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.323 3.068 -4.844 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.610 1.517 -5.835 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.797 2.747 -3.464 1.00 0.31 C ATOM 0 H ILE A 122 6.863 2.256 -6.889 1.00 0.21 H new ATOM 0 HA ILE A 122 4.203 2.744 -8.081 1.00 0.23 H new ATOM 0 HB ILE A 122 3.540 3.652 -5.864 1.00 0.26 H new ATOM 0 HG12 ILE A 122 6.190 2.440 -5.047 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.667 4.102 -4.860 1.00 0.27 H new ATOM 0 HG21 ILE A 122 3.138 1.438 -4.856 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.852 1.418 -6.612 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.349 0.724 -5.946 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.583 2.912 -2.727 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.948 3.393 -3.239 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.479 1.705 -3.429 1.00 0.31 H new ATOM 1289 N LYS A 123 4.601 5.388 -7.405 1.00 0.30 N ATOM 1290 CA LYS A 123 4.959 6.745 -7.772 1.00 0.34 C ATOM 1291 C LYS A 123 5.942 7.334 -6.787 1.00 0.36 C ATOM 1292 O LYS A 123 5.628 7.548 -5.617 1.00 0.42 O ATOM 1293 CB LYS A 123 3.722 7.618 -7.893 1.00 0.39 C ATOM 1294 CG LYS A 123 3.848 8.644 -8.994 1.00 0.48 C ATOM 1295 CD LYS A 123 2.519 9.284 -9.321 1.00 0.75 C ATOM 1296 CE LYS A 123 2.649 10.202 -10.520 1.00 1.35 C ATOM 1297 NZ LYS A 123 1.405 10.972 -10.772 1.00 2.15 N ATOM 0 H LYS A 123 3.663 5.278 -7.020 1.00 0.30 H new ATOM 0 HA LYS A 123 5.444 6.711 -8.747 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.853 6.988 -8.084 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.545 8.126 -6.945 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.558 9.414 -8.693 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.252 8.170 -9.888 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.778 8.511 -9.527 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.160 9.849 -8.461 1.00 0.75 H new ATOM 0 HE2 LYS A 123 3.476 10.893 -10.359 1.00 1.35 H new ATOM 0 HE3 LYS A 123 2.894 9.612 -11.403 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 1.539 11.586 -11.600 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 0.620 10.314 -10.952 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 1.184 11.556 -9.940 1.00 2.15 H new ATOM 1311 N GLY A 124 7.145 7.568 -7.281 1.00 0.37 N ATOM 1312 CA GLY A 124 8.209 8.104 -6.466 1.00 0.42 C ATOM 1313 C GLY A 124 8.844 7.054 -5.578 1.00 0.38 C ATOM 1314 O GLY A 124 10.005 7.177 -5.186 1.00 0.42 O ATOM 0 H GLY A 124 7.406 7.392 -8.251 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.972 8.540 -7.111 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.817 8.910 -5.846 1.00 0.42 H new ATOM 1318 N GLY A 125 8.079 6.030 -5.242 1.00 0.34 N ATOM 1319 CA GLY A 125 8.575 4.997 -4.370 1.00 0.31 C ATOM 1320 C GLY A 125 8.641 3.626 -5.007 1.00 0.25 C ATOM 1321 O GLY A 125 8.289 3.443 -6.168 1.00 0.29 O ATOM 0 H GLY A 125 7.119 5.898 -5.561 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.572 5.274 -4.027 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.937 4.945 -3.488 1.00 0.31 H new ATOM 1325 N TYR A 126 9.093 2.659 -4.228 1.00 0.19 N ATOM 1326 CA TYR A 126 9.115 1.268 -4.643 1.00 0.16 C ATOM 1327 C TYR A 126 8.618 0.397 -3.511 1.00 0.16 C ATOM 1328 O TYR A 126 9.175 0.430 -2.418 1.00 0.17 O ATOM 1329 CB TYR A 126 10.531 0.824 -5.018 1.00 0.15 C ATOM 1330 CG TYR A 126 10.902 1.061 -6.459 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.093 2.337 -6.944 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.054 0.000 -7.333 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.428 2.557 -8.262 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.394 0.207 -8.654 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.581 1.490 -9.113 1.00 0.30 C ATOM 1336 OH TYR A 126 11.915 1.710 -10.428 1.00 0.38 O ATOM 0 H TYR A 126 9.456 2.817 -3.288 1.00 0.19 H new ATOM 0 HA TYR A 126 8.471 1.166 -5.517 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.243 1.350 -4.382 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.634 -0.239 -4.800 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.978 3.180 -6.279 1.00 0.24 H new ATOM 0 HD2 TYR A 126 10.904 -1.008 -6.975 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.570 3.564 -8.625 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.512 -0.633 -9.323 1.00 0.27 H new ATOM 0 HH TYR A 126 11.138 2.066 -10.908 1.00 0.38 H new ATOM 1346 N VAL A 127 7.574 -0.365 -3.756 1.00 0.18 N ATOM 1347 CA VAL A 127 7.148 -1.345 -2.782 1.00 0.20 C ATOM 1348 C VAL A 127 8.010 -2.589 -2.958 1.00 0.17 C ATOM 1349 O VAL A 127 7.928 -3.300 -3.966 1.00 0.20 O ATOM 1350 CB VAL A 127 5.634 -1.657 -2.888 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.231 -2.005 -4.311 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.243 -2.768 -1.930 1.00 0.60 C ATOM 0 H VAL A 127 7.013 -0.327 -4.607 1.00 0.18 H new ATOM 0 HA VAL A 127 7.285 -0.946 -1.777 1.00 0.20 H new ATOM 0 HB VAL A 127 5.093 -0.753 -2.606 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.162 -2.217 -4.345 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.455 -1.165 -4.968 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.786 -2.883 -4.642 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.176 -2.969 -2.022 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.805 -3.671 -2.171 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.467 -2.463 -0.908 1.00 0.60 H new ATOM 1362 N ILE A 128 8.857 -2.831 -1.979 1.00 0.14 N ATOM 1363 CA ILE A 128 9.947 -3.770 -2.139 1.00 0.12 C ATOM 1364 C ILE A 128 9.954 -4.824 -1.053 1.00 0.13 C ATOM 1365 O ILE A 128 9.553 -4.573 0.081 1.00 0.16 O ATOM 1366 CB ILE A 128 11.306 -3.039 -2.142 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.488 -2.231 -0.848 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.407 -2.133 -3.361 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.784 -1.455 -0.788 1.00 0.19 C ATOM 0 H ILE A 128 8.811 -2.389 -1.061 1.00 0.14 H new ATOM 0 HA ILE A 128 9.793 -4.264 -3.098 1.00 0.12 H new ATOM 0 HB ILE A 128 12.103 -3.781 -2.192 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.655 -1.536 -0.745 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.443 -2.911 0.003 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.369 -1.621 -3.355 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.320 -2.732 -4.268 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.604 -1.396 -3.334 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.839 -0.911 0.155 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.625 -2.145 -0.858 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.824 -0.749 -1.617 1.00 0.19 H new ATOM 1381 N LYS A 129 10.420 -6.000 -1.412 1.00 0.15 N ATOM 1382 CA LYS A 129 10.556 -7.085 -0.468 1.00 0.18 C ATOM 1383 C LYS A 129 12.028 -7.415 -0.303 1.00 0.19 C ATOM 1384 O LYS A 129 12.627 -8.055 -1.161 1.00 0.20 O ATOM 1385 CB LYS A 129 9.782 -8.309 -0.966 1.00 0.22 C ATOM 1386 CG LYS A 129 9.887 -9.532 -0.068 1.00 0.28 C ATOM 1387 CD LYS A 129 9.089 -10.692 -0.643 1.00 0.40 C ATOM 1388 CE LYS A 129 9.189 -11.937 0.223 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.426 -13.076 -0.361 1.00 0.76 N ATOM 0 H LYS A 129 10.714 -6.229 -2.361 1.00 0.15 H new ATOM 0 HA LYS A 129 10.145 -6.790 0.497 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.731 -8.040 -1.070 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.144 -8.572 -1.960 1.00 0.22 H new ATOM 0 HG2 LYS A 129 10.932 -9.821 0.040 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.519 -9.290 0.929 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.043 -10.400 -0.739 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.450 -10.918 -1.646 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.236 -12.219 0.335 1.00 0.51 H new ATOM 0 HE3 LYS A 129 8.809 -11.718 1.221 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.272 -13.801 0.369 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.507 -12.736 -0.710 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.965 -13.487 -1.149 1.00 0.76 H new ATOM 1403 N VAL A 130 12.605 -6.977 0.801 1.00 0.21 N ATOM 1404 CA VAL A 130 14.007 -7.195 1.059 1.00 0.24 C ATOM 1405 C VAL A 130 14.163 -7.994 2.344 1.00 0.29 C ATOM 1406 O VAL A 130 13.461 -7.741 3.329 1.00 0.29 O ATOM 1407 CB VAL A 130 14.800 -5.855 1.147 1.00 0.24 C ATOM 1408 CG1 VAL A 130 14.087 -4.749 0.386 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.046 -5.412 2.582 1.00 0.26 C ATOM 0 H VAL A 130 12.116 -6.465 1.535 1.00 0.21 H new ATOM 0 HA VAL A 130 14.425 -7.756 0.223 1.00 0.24 H new ATOM 0 HB VAL A 130 15.770 -6.045 0.688 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.661 -3.826 0.463 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.993 -5.031 -0.663 1.00 0.26 H new ATOM 0 HG13 VAL A 130 13.095 -4.596 0.811 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.602 -4.474 2.583 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.091 -5.268 3.087 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.622 -6.176 3.105 1.00 0.26 H new ATOM 1419 N ASP A 131 15.038 -8.988 2.310 1.00 0.36 N ATOM 1420 CA ASP A 131 15.338 -9.796 3.488 1.00 0.44 C ATOM 1421 C ASP A 131 14.065 -10.449 4.045 1.00 0.43 C ATOM 1422 O ASP A 131 13.899 -10.626 5.255 1.00 0.50 O ATOM 1423 CB ASP A 131 16.029 -8.922 4.539 1.00 0.48 C ATOM 1424 CG ASP A 131 16.554 -9.708 5.723 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.384 -10.617 5.521 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.157 -9.406 6.867 1.00 0.59 O ATOM 0 H ASP A 131 15.557 -9.258 1.474 1.00 0.36 H new ATOM 0 HA ASP A 131 16.013 -10.605 3.208 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.856 -8.389 4.071 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.325 -8.169 4.895 1.00 0.48 H new ATOM 1431 N GLY A 132 13.153 -10.783 3.139 1.00 0.39 N ATOM 1432 CA GLY A 132 11.914 -11.442 3.518 1.00 0.40 C ATOM 1433 C GLY A 132 10.824 -10.465 3.916 1.00 0.40 C ATOM 1434 O GLY A 132 9.647 -10.823 3.971 1.00 0.59 O ATOM 0 H GLY A 132 13.250 -10.608 2.139 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.563 -12.051 2.685 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.108 -12.120 4.349 1.00 0.40 H new ATOM 1438 N LYS A 133 11.211 -9.227 4.174 1.00 0.30 N ATOM 1439 CA LYS A 133 10.283 -8.213 4.650 1.00 0.29 C ATOM 1440 C LYS A 133 9.903 -7.255 3.544 1.00 0.26 C ATOM 1441 O LYS A 133 10.524 -7.233 2.487 1.00 0.33 O ATOM 1442 CB LYS A 133 10.901 -7.442 5.812 1.00 0.33 C ATOM 1443 CG LYS A 133 10.891 -8.210 7.119 1.00 0.40 C ATOM 1444 CD LYS A 133 11.799 -7.571 8.152 1.00 0.80 C ATOM 1445 CE LYS A 133 13.263 -7.690 7.760 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.762 -9.081 7.887 1.00 1.15 N ATOM 0 H LYS A 133 12.170 -8.897 4.061 1.00 0.30 H new ATOM 0 HA LYS A 133 9.379 -8.718 4.989 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.929 -7.182 5.560 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.359 -6.506 5.946 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.873 -8.255 7.507 1.00 0.40 H new ATOM 0 HG3 LYS A 133 11.209 -9.237 6.940 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.537 -6.519 8.267 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.641 -8.046 9.120 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.391 -7.351 6.732 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.861 -7.031 8.390 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.525 -9.240 7.199 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 14.126 -9.233 8.849 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 12.985 -9.747 7.702 1.00 1.15 H new ATOM 1460 N TYR A 134 8.882 -6.468 3.798 1.00 0.25 N ATOM 1461 CA TYR A 134 8.385 -5.530 2.815 1.00 0.23 C ATOM 1462 C TYR A 134 8.548 -4.103 3.291 1.00 0.22 C ATOM 1463 O TYR A 134 8.312 -3.789 4.459 1.00 0.26 O ATOM 1464 CB TYR A 134 6.922 -5.800 2.531 1.00 0.28 C ATOM 1465 CG TYR A 134 6.651 -6.296 1.138 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.566 -5.417 0.068 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.443 -7.639 0.903 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.277 -5.870 -1.201 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.144 -8.097 -0.367 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.062 -7.210 -1.407 1.00 0.91 C ATOM 1471 OH TYR A 134 5.735 -7.665 -2.656 1.00 1.22 O ATOM 0 H TYR A 134 8.376 -6.459 4.684 1.00 0.25 H new ATOM 0 HA TYR A 134 8.967 -5.662 1.903 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.554 -6.536 3.246 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.355 -4.884 2.696 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.729 -4.362 0.232 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.514 -8.341 1.720 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.220 -5.176 -2.027 1.00 0.88 H new ATOM 0 HE2 TYR A 134 5.976 -9.150 -0.538 1.00 0.86 H new ATOM 0 HH TYR A 134 5.618 -8.638 -2.630 1.00 1.22 H new ATOM 1481 N TYR A 135 8.953 -3.247 2.374 1.00 0.19 N ATOM 1482 CA TYR A 135 9.144 -1.841 2.656 1.00 0.20 C ATOM 1483 C TYR A 135 8.718 -1.027 1.460 1.00 0.19 C ATOM 1484 O TYR A 135 8.419 -1.575 0.399 1.00 0.21 O ATOM 1485 CB TYR A 135 10.616 -1.530 2.941 1.00 0.19 C ATOM 1486 CG TYR A 135 11.279 -2.409 3.956 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.808 -3.628 3.586 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.403 -2.006 5.272 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.441 -4.429 4.489 1.00 0.26 C ATOM 1490 CE2 TYR A 135 12.035 -2.804 6.196 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.557 -4.019 5.802 1.00 0.31 C ATOM 1492 OH TYR A 135 13.203 -4.814 6.718 1.00 0.37 O ATOM 0 H TYR A 135 9.159 -3.509 1.410 1.00 0.19 H new ATOM 0 HA TYR A 135 8.546 -1.591 3.532 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.172 -1.602 2.006 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.692 -0.496 3.278 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.719 -3.954 2.560 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.999 -1.053 5.578 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.850 -5.379 4.179 1.00 0.26 H new ATOM 0 HE2 TYR A 135 12.122 -2.482 7.223 1.00 0.32 H new ATOM 0 HH TYR A 135 13.196 -4.376 7.594 1.00 0.37 H new ATOM 1502 N VAL A 136 8.690 0.274 1.633 1.00 0.21 N ATOM 1503 CA VAL A 136 8.465 1.173 0.531 1.00 0.22 C ATOM 1504 C VAL A 136 9.586 2.190 0.449 1.00 0.23 C ATOM 1505 O VAL A 136 9.852 2.939 1.389 1.00 0.31 O ATOM 1506 CB VAL A 136 7.092 1.867 0.621 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.971 2.975 -0.419 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.993 0.836 0.428 1.00 0.26 C ATOM 0 H VAL A 136 8.822 0.734 2.534 1.00 0.21 H new ATOM 0 HA VAL A 136 8.459 0.582 -0.385 1.00 0.22 H new ATOM 0 HB VAL A 136 6.992 2.323 1.606 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.993 3.449 -0.334 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.750 3.719 -0.251 1.00 0.26 H new ATOM 0 HG13 VAL A 136 7.083 2.551 -1.417 1.00 0.26 H new ATOM 0 HG21 VAL A 136 5.021 1.325 0.491 1.00 0.26 H new ATOM 0 HG22 VAL A 136 6.101 0.368 -0.550 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.068 0.075 1.205 1.00 0.26 H new ATOM 1518 N TYR A 137 10.246 2.172 -0.682 1.00 0.20 N ATOM 1519 CA TYR A 137 11.327 3.083 -0.989 1.00 0.24 C ATOM 1520 C TYR A 137 10.754 4.404 -1.390 1.00 0.27 C ATOM 1521 O TYR A 137 9.735 4.446 -2.049 1.00 0.46 O ATOM 1522 CB TYR A 137 12.132 2.495 -2.145 1.00 0.35 C ATOM 1523 CG TYR A 137 13.176 3.415 -2.710 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.272 3.759 -1.958 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.076 3.920 -3.995 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.253 4.577 -2.456 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.054 4.747 -4.505 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.143 5.072 -3.730 1.00 0.77 C ATOM 1529 OH TYR A 137 16.133 5.883 -4.234 1.00 1.01 O ATOM 0 H TYR A 137 10.045 1.511 -1.432 1.00 0.20 H new ATOM 0 HA TYR A 137 11.971 3.223 -0.121 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.618 1.581 -1.804 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.445 2.213 -2.943 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.363 3.377 -0.952 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.222 3.663 -4.605 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.109 4.830 -1.848 1.00 0.76 H new ATOM 0 HE2 TYR A 137 13.966 5.138 -5.508 1.00 0.78 H new ATOM 0 HH TYR A 137 16.035 5.954 -5.206 1.00 1.01 H new ATOM 1539 N LEU A 138 11.353 5.476 -0.936 1.00 0.29 N ATOM 1540 CA LEU A 138 10.930 6.772 -1.376 1.00 0.38 C ATOM 1541 C LEU A 138 12.079 7.558 -1.972 1.00 0.44 C ATOM 1542 O LEU A 138 13.113 7.753 -1.335 1.00 0.50 O ATOM 1543 CB LEU A 138 10.307 7.523 -0.224 1.00 0.48 C ATOM 1544 CG LEU A 138 9.191 8.466 -0.637 1.00 0.64 C ATOM 1545 CD1 LEU A 138 8.116 7.706 -1.406 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.602 9.152 0.580 1.00 0.72 C ATOM 0 H LEU A 138 12.126 5.474 -0.270 1.00 0.29 H new ATOM 0 HA LEU A 138 10.185 6.642 -2.161 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.915 6.805 0.496 1.00 0.48 H new ATOM 0 HB3 LEU A 138 11.082 8.095 0.286 1.00 0.48 H new ATOM 0 HG LEU A 138 9.603 9.233 -1.293 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.322 8.394 -1.696 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.554 7.260 -2.299 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.703 6.920 -0.773 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.803 9.825 0.268 1.00 0.72 H new ATOM 0 HD22 LEU A 138 8.199 8.402 1.261 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.379 9.723 1.088 1.00 0.72 H new ATOM 1558 N LYS A 139 11.891 7.997 -3.203 1.00 0.46 N ATOM 1559 CA LYS A 139 12.865 8.851 -3.860 1.00 0.54 C ATOM 1560 C LYS A 139 12.649 10.303 -3.454 1.00 0.64 C ATOM 1561 O LYS A 139 13.548 11.135 -3.571 1.00 0.74 O ATOM 1562 CB LYS A 139 12.782 8.717 -5.375 1.00 0.56 C ATOM 1563 CG LYS A 139 13.167 7.345 -5.891 1.00 0.50 C ATOM 1564 CD LYS A 139 13.342 7.350 -7.401 1.00 0.59 C ATOM 1565 CE LYS A 139 14.387 8.365 -7.838 1.00 1.51 C ATOM 1566 NZ LYS A 139 14.570 8.380 -9.311 1.00 2.31 N ATOM 0 H LYS A 139 11.072 7.776 -3.769 1.00 0.46 H new ATOM 0 HA LYS A 139 13.859 8.533 -3.544 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.765 8.943 -5.695 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.433 9.462 -5.832 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.094 7.023 -5.417 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.400 6.622 -5.614 1.00 0.50 H new ATOM 0 HD2 LYS A 139 13.636 6.356 -7.737 1.00 0.59 H new ATOM 0 HD3 LYS A 139 12.389 7.579 -7.878 1.00 0.59 H new ATOM 0 HE2 LYS A 139 14.091 9.358 -7.500 1.00 1.51 H new ATOM 0 HE3 LYS A 139 15.338 8.135 -7.357 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 15.291 9.086 -9.564 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 14.878 7.440 -9.632 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 13.670 8.625 -9.770 1.00 2.31 H new ATOM 1580 N ASP A 140 11.450 10.599 -2.964 1.00 0.66 N ATOM 1581 CA ASP A 140 11.125 11.940 -2.504 1.00 0.78 C ATOM 1582 C ASP A 140 10.555 11.862 -1.099 1.00 0.77 C ATOM 1583 O ASP A 140 9.343 11.935 -0.895 1.00 0.88 O ATOM 1584 CB ASP A 140 10.120 12.616 -3.442 1.00 1.00 C ATOM 1585 CG ASP A 140 10.037 14.117 -3.229 1.00 1.24 C ATOM 1586 OD1 ASP A 140 9.998 14.569 -2.067 1.00 1.58 O ATOM 1587 OD2 ASP A 140 10.026 14.860 -4.236 1.00 1.57 O ATOM 0 H ASP A 140 10.688 9.926 -2.876 1.00 0.66 H new ATOM 0 HA ASP A 140 12.035 12.539 -2.500 1.00 0.78 H new ATOM 0 HB2 ASP A 140 10.402 12.415 -4.476 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.134 12.177 -3.289 1.00 1.00 H new ATOM 1592 N ALA A 141 11.440 11.700 -0.131 1.00 0.73 N ATOM 1593 CA ALA A 141 11.035 11.544 1.256 1.00 0.79 C ATOM 1594 C ALA A 141 10.687 12.888 1.882 1.00 0.97 C ATOM 1595 O ALA A 141 10.178 12.950 3.000 1.00 1.12 O ATOM 1596 CB ALA A 141 12.142 10.870 2.050 1.00 0.86 C ATOM 0 H ALA A 141 12.449 11.673 -0.281 1.00 0.73 H new ATOM 0 HA ALA A 141 10.143 10.918 1.280 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.829 10.758 3.088 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.348 9.888 1.625 1.00 0.86 H new ATOM 0 HB3 ALA A 141 13.044 11.481 2.007 1.00 0.86 H new ATOM 1602 N ALA A 142 10.947 13.960 1.148 1.00 1.02 N ATOM 1603 CA ALA A 142 10.810 15.297 1.697 1.00 1.26 C ATOM 1604 C ALA A 142 9.458 15.925 1.377 1.00 1.37 C ATOM 1605 O ALA A 142 8.805 16.482 2.259 1.00 1.60 O ATOM 1606 CB ALA A 142 11.931 16.186 1.185 1.00 1.38 C ATOM 0 H ALA A 142 11.253 13.929 0.175 1.00 1.02 H new ATOM 0 HA ALA A 142 10.874 15.208 2.781 1.00 1.26 H new ATOM 0 HB1 ALA A 142 11.821 17.187 1.602 1.00 1.38 H new ATOM 0 HB2 ALA A 142 12.892 15.771 1.488 1.00 1.38 H new ATOM 0 HB3 ALA A 142 11.886 16.239 0.097 1.00 1.38 H new ATOM 1612 N HIS A 143 9.023 15.821 0.125 1.00 1.30 N ATOM 1613 CA HIS A 143 7.842 16.557 -0.326 1.00 1.50 C ATOM 1614 C HIS A 143 6.629 15.646 -0.438 1.00 1.25 C ATOM 1615 O HIS A 143 5.603 16.037 -1.003 1.00 1.33 O ATOM 1616 CB HIS A 143 8.097 17.216 -1.683 1.00 1.74 C ATOM 1617 CG HIS A 143 9.415 17.923 -1.785 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.499 17.391 -2.447 1.00 2.83 N ATOM 1619 CD2 HIS A 143 9.821 19.124 -1.309 1.00 2.47 C ATOM 1620 CE1 HIS A 143 11.514 18.232 -2.375 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.129 19.292 -1.692 1.00 3.11 N ATOM 0 H HIS A 143 9.463 15.242 -0.590 1.00 1.30 H new ATOM 0 HA HIS A 143 7.640 17.325 0.420 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.045 16.453 -2.460 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.298 17.930 -1.883 1.00 1.74 H new ATOM 0 HD2 HIS A 143 9.227 19.820 -0.735 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.494 18.078 -2.803 1.00 3.41 H new ATOM 0 HE2 HIS A 143 11.709 20.105 -1.482 1.00 3.11 H new ATOM 1630 N ALA A 144 6.760 14.437 0.109 1.00 0.99 N ATOM 1631 CA ALA A 144 5.719 13.413 0.049 1.00 0.77 C ATOM 1632 C ALA A 144 5.467 12.943 -1.368 1.00 0.76 C ATOM 1633 O ALA A 144 5.006 13.695 -2.229 1.00 1.13 O ATOM 1634 CB ALA A 144 4.428 13.902 0.669 1.00 0.88 C ATOM 0 H ALA A 144 7.598 14.140 0.609 1.00 0.99 H new ATOM 0 HA ALA A 144 6.085 12.564 0.626 1.00 0.77 H new ATOM 0 HB1 ALA A 144 3.675 13.117 0.608 1.00 0.88 H new ATOM 0 HB2 ALA A 144 4.601 14.159 1.714 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.077 14.783 0.132 1.00 0.88 H new ATOM 1640 N ASP A 145 5.765 11.687 -1.597 1.00 0.59 N ATOM 1641 CA ASP A 145 5.529 11.074 -2.881 1.00 0.87 C ATOM 1642 C ASP A 145 4.613 9.883 -2.700 1.00 0.66 C ATOM 1643 O ASP A 145 5.043 8.757 -2.870 1.00 0.75 O ATOM 1644 CB ASP A 145 6.838 10.645 -3.537 1.00 1.23 C ATOM 1645 CG ASP A 145 6.840 10.937 -5.025 1.00 1.79 C ATOM 1646 OD1 ASP A 145 5.747 11.102 -5.608 1.00 1.99 O ATOM 1647 OD2 ASP A 145 7.935 11.030 -5.617 1.00 2.20 O ATOM 0 H ASP A 145 6.176 11.064 -0.902 1.00 0.59 H new ATOM 0 HA ASP A 145 5.057 11.804 -3.539 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.670 11.165 -3.063 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.994 9.578 -3.375 1.00 1.23 H new ATOM 1652 N ASN A 146 3.380 10.167 -2.267 1.00 0.48 N ATOM 1653 CA ASN A 146 2.318 9.160 -2.040 1.00 0.32 C ATOM 1654 C ASN A 146 2.461 8.523 -0.665 1.00 0.25 C ATOM 1655 O ASN A 146 1.849 7.512 -0.354 1.00 0.37 O ATOM 1656 CB ASN A 146 2.235 8.100 -3.182 1.00 0.38 C ATOM 1657 CG ASN A 146 2.864 6.727 -2.896 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.245 5.862 -2.287 1.00 1.69 O ATOM 1659 ND2 ASN A 146 4.063 6.488 -3.394 1.00 0.65 N ATOM 0 H ASN A 146 3.079 11.119 -2.058 1.00 0.48 H new ATOM 0 HA ASN A 146 1.364 9.686 -2.063 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.184 7.948 -3.430 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.714 8.516 -4.068 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.491 5.570 -3.275 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.562 7.222 -3.898 1.00 0.65 H new ATOM 1666 N ILE A 147 3.213 9.176 0.197 1.00 0.30 N ATOM 1667 CA ILE A 147 3.342 8.717 1.564 1.00 0.34 C ATOM 1668 C ILE A 147 2.544 9.611 2.501 1.00 0.38 C ATOM 1669 O ILE A 147 2.751 10.826 2.546 1.00 0.46 O ATOM 1670 CB ILE A 147 4.809 8.674 2.021 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.638 7.840 1.044 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.909 8.111 3.430 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.110 6.438 0.828 1.00 0.50 C ATOM 0 H ILE A 147 3.741 10.021 -0.023 1.00 0.30 H new ATOM 0 HA ILE A 147 2.947 7.702 1.600 1.00 0.34 H new ATOM 0 HB ILE A 147 5.205 9.689 2.032 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.675 8.355 0.084 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.662 7.779 1.413 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.954 8.087 3.739 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.342 8.742 4.115 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.502 7.100 3.448 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.753 5.912 0.122 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.099 5.903 1.778 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.097 6.488 0.428 1.00 0.50 H new ATOM 1685 N ARG A 148 1.617 9.010 3.224 1.00 0.36 N ATOM 1686 CA ARG A 148 0.823 9.732 4.202 1.00 0.38 C ATOM 1687 C ARG A 148 1.292 9.368 5.595 1.00 0.36 C ATOM 1688 O ARG A 148 1.555 8.197 5.885 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.664 9.398 4.047 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.216 9.689 2.662 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.119 11.163 2.302 1.00 0.83 C ATOM 1692 NE ARG A 148 -1.644 11.428 0.964 1.00 0.98 N ATOM 1693 CZ ARG A 148 -2.641 12.273 0.704 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -3.193 12.982 1.679 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -3.079 12.423 -0.540 1.00 1.78 N ATOM 0 H ARG A 148 1.394 8.017 3.152 1.00 0.36 H new ATOM 0 HA ARG A 148 0.951 10.802 4.039 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.815 8.343 4.274 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.233 9.967 4.782 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -0.671 9.100 1.924 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -2.258 9.373 2.615 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -1.671 11.753 3.033 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.078 11.483 2.355 1.00 0.83 H new ATOM 0 HE ARG A 148 -1.220 10.934 0.179 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -2.855 12.883 2.636 1.00 1.40 H new ATOM 0 HH12 ARG A 148 -3.956 13.627 1.472 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.652 11.891 -1.299 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -3.842 13.070 -0.737 1.00 1.78 H new ATOM 1709 N THR A 149 1.412 10.373 6.443 1.00 0.33 N ATOM 1710 CA THR A 149 1.846 10.165 7.806 1.00 0.31 C ATOM 1711 C THR A 149 0.832 9.330 8.571 1.00 0.28 C ATOM 1712 O THR A 149 -0.359 9.391 8.269 1.00 0.29 O ATOM 1713 CB THR A 149 2.048 11.507 8.528 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.003 12.421 8.164 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.396 12.103 8.172 1.00 0.40 C ATOM 0 H THR A 149 1.213 11.345 6.207 1.00 0.33 H new ATOM 0 HA THR A 149 2.797 9.633 7.772 1.00 0.31 H new ATOM 0 HB THR A 149 2.015 11.331 9.603 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.137 13.273 8.629 1.00 0.37 H new ATOM 0 HG21 THR A 149 3.523 13.053 8.692 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.188 11.417 8.472 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.448 12.269 7.096 1.00 0.40 H new ATOM 1723 N LYS A 150 1.291 8.558 9.551 1.00 0.31 N ATOM 1724 CA LYS A 150 0.395 7.750 10.371 1.00 0.34 C ATOM 1725 C LYS A 150 -0.702 8.631 10.920 1.00 0.31 C ATOM 1726 O LYS A 150 -1.884 8.285 10.890 1.00 0.39 O ATOM 1727 CB LYS A 150 1.156 7.115 11.531 1.00 0.41 C ATOM 1728 CG LYS A 150 2.385 6.338 11.122 1.00 0.63 C ATOM 1729 CD LYS A 150 3.024 5.668 12.322 1.00 1.48 C ATOM 1730 CE LYS A 150 3.643 6.677 13.278 1.00 2.24 C ATOM 1731 NZ LYS A 150 4.861 7.311 12.706 1.00 3.02 N ATOM 0 H LYS A 150 2.278 8.475 9.797 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.030 6.958 9.754 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.452 7.899 12.227 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.482 6.448 12.070 1.00 0.41 H new ATOM 0 HG2 LYS A 150 2.115 5.586 10.381 1.00 0.63 H new ATOM 0 HG3 LYS A 150 3.103 7.008 10.649 1.00 0.63 H new ATOM 0 HD2 LYS A 150 2.274 5.081 12.851 1.00 1.48 H new ATOM 0 HD3 LYS A 150 3.792 4.973 11.982 1.00 1.48 H new ATOM 0 HE2 LYS A 150 2.910 7.448 13.516 1.00 2.24 H new ATOM 0 HE3 LYS A 150 3.898 6.180 14.214 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 5.364 7.832 13.452 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 5.485 6.576 12.317 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 4.587 7.969 11.949 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.290 9.802 11.365 1.00 0.29 N ATOM 1746 CA GLU A 151 -1.201 10.759 11.958 1.00 0.34 C ATOM 1747 C GLU A 151 -2.242 11.253 10.960 1.00 0.36 C ATOM 1748 O GLU A 151 -3.395 11.488 11.327 1.00 0.48 O ATOM 1749 CB GLU A 151 -0.431 11.915 12.565 1.00 0.44 C ATOM 1750 CG GLU A 151 0.303 11.501 13.820 1.00 0.56 C ATOM 1751 CD GLU A 151 -0.606 10.807 14.815 1.00 1.01 C ATOM 1752 OE1 GLU A 151 -1.234 11.499 15.648 1.00 1.19 O ATOM 1753 OE2 GLU A 151 -0.699 9.562 14.769 1.00 1.36 O ATOM 0 H GLU A 151 0.680 10.115 11.326 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.745 10.249 12.753 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.283 12.299 11.836 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -1.119 12.728 12.797 1.00 0.44 H new ATOM 0 HG2 GLU A 151 1.124 10.835 13.555 1.00 0.56 H new ATOM 0 HG3 GLU A 151 0.745 12.381 14.287 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.852 11.387 9.699 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.787 11.827 8.676 1.00 0.40 C ATOM 1762 C GLU A 152 -3.691 10.696 8.261 1.00 0.40 C ATOM 1763 O GLU A 152 -4.849 10.910 7.939 1.00 0.50 O ATOM 1764 CB GLU A 152 -2.084 12.341 7.436 1.00 0.44 C ATOM 1765 CG GLU A 152 -3.048 12.995 6.466 1.00 0.54 C ATOM 1766 CD GLU A 152 -2.352 13.647 5.298 1.00 0.67 C ATOM 1767 OE1 GLU A 152 -1.716 14.704 5.495 1.00 0.76 O ATOM 1768 OE2 GLU A 152 -2.442 13.111 4.179 1.00 0.83 O ATOM 0 H GLU A 152 -0.907 11.200 9.364 1.00 0.34 H new ATOM 0 HA GLU A 152 -3.363 12.639 9.120 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -1.318 13.060 7.726 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -1.575 11.515 6.939 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -3.746 12.245 6.094 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -3.637 13.744 6.996 1.00 0.54 H new ATOM 1775 N ILE A 153 -3.149 9.499 8.239 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.918 8.334 7.845 1.00 0.35 C ATOM 1777 C ILE A 153 -5.171 8.203 8.706 1.00 0.39 C ATOM 1778 O ILE A 153 -6.265 7.972 8.195 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.080 7.043 7.926 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.906 7.128 6.951 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -3.939 5.820 7.624 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -0.956 5.960 7.041 1.00 0.47 C ATOM 0 H ILE A 153 -2.179 9.304 8.489 1.00 0.34 H new ATOM 0 HA ILE A 153 -4.214 8.475 6.805 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.693 6.939 8.940 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.294 7.192 5.934 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.354 8.049 7.140 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.326 4.921 7.687 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.751 5.758 8.349 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.355 5.906 6.620 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.149 6.091 6.320 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.539 5.907 8.047 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.493 5.037 6.822 1.00 0.47 H new ATOM 1794 N LYS A 154 -5.012 8.375 10.012 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.164 8.388 10.911 1.00 0.50 C ATOM 1796 C LYS A 154 -6.951 9.692 10.770 1.00 0.56 C ATOM 1797 O LYS A 154 -8.147 9.737 11.042 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.740 8.207 12.372 1.00 0.57 C ATOM 1799 CG LYS A 154 -5.274 6.800 12.733 1.00 1.42 C ATOM 1800 CD LYS A 154 -3.841 6.544 12.303 1.00 1.77 C ATOM 1801 CE LYS A 154 -3.352 5.180 12.765 1.00 2.57 C ATOM 1802 NZ LYS A 154 -1.895 5.001 12.529 1.00 3.43 N ATOM 0 H LYS A 154 -4.110 8.506 10.470 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.800 7.550 10.626 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -4.935 8.909 12.592 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.579 8.473 13.015 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.360 6.656 13.810 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -5.930 6.069 12.260 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -3.770 6.608 11.217 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -3.194 7.320 12.711 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -3.565 5.059 13.827 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -3.903 4.400 12.239 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -1.603 4.059 12.858 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -1.694 5.090 11.512 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -1.367 5.729 13.051 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.268 10.747 10.355 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.900 12.048 10.147 1.00 0.63 C ATOM 1818 C ARG A 155 -7.841 12.033 8.941 1.00 0.66 C ATOM 1819 O ARG A 155 -8.985 12.477 9.030 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.841 13.123 9.963 1.00 0.65 C ATOM 1821 CG ARG A 155 -6.409 14.511 9.733 1.00 1.21 C ATOM 1822 CD ARG A 155 -5.308 15.502 9.417 1.00 1.31 C ATOM 1823 NE ARG A 155 -5.834 16.828 9.098 1.00 2.28 N ATOM 1824 CZ ARG A 155 -5.102 17.823 8.601 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -3.817 17.644 8.320 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -5.667 19.000 8.368 1.00 3.70 N ATOM 0 H ARG A 155 -5.268 10.731 10.153 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.494 12.271 11.033 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -5.201 13.144 10.845 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -5.208 12.855 9.117 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -7.125 14.483 8.912 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -6.953 14.837 10.620 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -4.633 15.576 10.269 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.721 15.134 8.576 1.00 1.31 H new ATOM 0 HE ARG A 155 -6.825 17.002 9.267 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -3.381 16.737 8.484 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -3.266 18.414 7.940 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -6.657 19.139 8.569 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -5.111 19.766 7.987 1.00 3.70 H new ATOM 1840 N GLN A 156 -7.368 11.517 7.811 1.00 0.58 N ATOM 1841 CA GLN A 156 -8.163 11.529 6.592 1.00 0.70 C ATOM 1842 C GLN A 156 -9.192 10.403 6.576 1.00 0.67 C ATOM 1843 O GLN A 156 -10.073 10.372 5.715 1.00 0.80 O ATOM 1844 CB GLN A 156 -7.297 11.476 5.340 1.00 0.77 C ATOM 1845 CG GLN A 156 -6.362 10.305 5.305 1.00 0.85 C ATOM 1846 CD GLN A 156 -5.789 10.071 3.923 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -6.359 9.336 3.117 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -4.661 10.702 3.634 1.00 0.92 N ATOM 0 H GLN A 156 -6.447 11.090 7.716 1.00 0.58 H new ATOM 0 HA GLN A 156 -8.698 12.479 6.586 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -7.943 11.440 4.463 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.716 12.396 5.271 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -5.548 10.471 6.011 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -6.891 9.410 5.633 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -4.220 11.303 4.330 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.234 10.587 2.715 1.00 0.92 H new ATOM 1857 N LYS A 157 -9.095 9.486 7.533 1.00 0.55 N ATOM 1858 CA LYS A 157 -10.051 8.388 7.616 1.00 0.54 C ATOM 1859 C LYS A 157 -11.273 8.802 8.429 1.00 0.62 C ATOM 1860 O LYS A 157 -12.230 8.038 8.568 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.413 7.135 8.221 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.234 7.196 9.723 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.938 5.821 10.297 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.829 5.126 9.525 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.529 3.778 10.067 1.00 0.90 N ATOM 0 H LYS A 157 -8.373 9.480 8.254 1.00 0.55 H new ATOM 0 HA LYS A 157 -10.367 8.148 6.601 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -10.030 6.271 7.974 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.440 6.975 7.756 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.420 7.878 9.967 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.136 7.599 10.183 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.650 5.916 11.344 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.841 5.211 10.269 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -8.117 5.039 8.477 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.927 5.738 9.557 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -7.209 3.157 9.296 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -6.781 3.851 10.786 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.387 3.379 10.499 1.00 0.90 H new ATOM 1879 N GLN A 158 -11.233 10.012 8.967 1.00 0.74 N ATOM 1880 CA GLN A 158 -12.343 10.550 9.726 1.00 0.91 C ATOM 1881 C GLN A 158 -13.447 11.002 8.782 1.00 1.15 C ATOM 1882 O GLN A 158 -14.423 10.246 8.603 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.876 11.724 10.573 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.772 11.374 11.552 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.173 12.602 12.209 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -10.159 13.713 11.487 1.00 2.12 O flip ATOM 1887 NE2 GLN A 158 -9.723 12.551 13.353 1.00 2.52 N flip ATOM 0 H GLN A 158 -10.434 10.642 8.889 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.731 9.771 10.382 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -11.526 12.518 9.914 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.727 12.121 11.127 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.168 10.711 12.321 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.988 10.825 11.031 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -9.754 11.675 13.874 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -9.319 13.385 13.780 1.00 2.52 H new