USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS :FLIP no HD1:sc= -4.03! C(o=-5.7!,f=-4.8!) USER MOD Set 1.2: A 86 HIS : no HE2:sc= -0.58 K(o=-4.8,f=-5.7) USER MOD Set 1.3: A 88 HIS : no HD1:sc= -0.142 K(o=-4.8,f=-6.3) USER MOD Set 2.1: A 82 SER OG : rot 83:sc= 0.784 USER MOD Set 2.2: A 157 LYS NZ :NH3+ 149:sc= 0.00417 (180deg=0) USER MOD Set 3.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 69 GLN : amide:sc= -0.0824 K(o=-0.082,f=-3.3!) USER MOD Single : A 53 ASN : amide:sc=-0.00241 K(o=-0.0024,f=-0.68) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.315 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 0.553 K(o=0.55,f=-3.2!) USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= -1.59 (180deg=-3.79!) USER MOD Single : A 75 THR OG1 : rot -30:sc= 1.22 USER MOD Single : A 77 GLN : amide:sc= -0.553 K(o=-0.55,f=-3.5) USER MOD Single : A 79 TYR OH : rot 30:sc= -3.58! USER MOD Single : A 81 THR OG1 : rot -22:sc= 0.644 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 90:sc= -0.346 USER MOD Single : A 91 ASN : amide:sc= 0.917 K(o=0.92,f=-0.26) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc=-0.00367 (180deg=-0.0929) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 170:sc= -1.24! USER MOD Single : A 106 MET CE :methyl -132:sc= -5.28 (180deg=-14!) USER MOD Single : A 111 TYR OH : rot -173:sc= 1.08 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.2 X(o=-1.2,f=-0.84) USER MOD Single : A 123 LYS NZ :NH3+ 172:sc= -0.216 (180deg=-0.312) USER MOD Single : A 126 TYR OH : rot -103:sc= 1.29 USER MOD Single : A 129 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.25) USER MOD Single : A 133 LYS NZ :NH3+ -158:sc= 2.01 (180deg=1) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.46! USER MOD Single : A 135 TYR OH : rot 30:sc= 0 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 171:sc= 0.797 (180deg=0.679) USER MOD Single : A 143 HIS : no HD1:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 146 ASN : amide:sc= -3.26! C(o=-3.3!,f=-12!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0.459 USER MOD Single : A 150 LYS NZ :NH3+ -143:sc= 1.14 (180deg=0.882) USER MOD Single : A 154 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0321) USER MOD Single : A 156 GLN :FLIP amide:sc= -0.121 F(o=-1.8!,f=-0.12) USER MOD Single : A 158 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -8.942 -9.053 0.675 1.00 0.80 N ATOM 158 CA ALA A 51 -8.288 -9.115 -0.624 1.00 0.75 C ATOM 159 C ALA A 51 -9.317 -8.925 -1.726 1.00 0.83 C ATOM 160 O ALA A 51 -9.877 -9.891 -2.251 1.00 1.01 O ATOM 161 CB ALA A 51 -7.500 -10.402 -0.812 1.00 0.84 C ATOM 0 HA ALA A 51 -7.561 -8.304 -0.676 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -7.031 -10.401 -1.796 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -6.731 -10.473 -0.043 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.173 -11.256 -0.732 1.00 0.84 H new ATOM 167 N GLU A 52 -9.581 -7.661 -2.030 1.00 0.75 N ATOM 168 CA GLU A 52 -10.521 -7.270 -3.073 1.00 0.86 C ATOM 169 C GLU A 52 -10.165 -7.924 -4.415 1.00 0.97 C ATOM 170 O GLU A 52 -9.087 -8.492 -4.571 1.00 1.04 O ATOM 171 CB GLU A 52 -10.554 -5.732 -3.164 1.00 0.83 C ATOM 172 CG GLU A 52 -9.187 -5.067 -3.144 1.00 0.91 C ATOM 173 CD GLU A 52 -8.414 -5.245 -4.433 1.00 1.63 C ATOM 174 OE1 GLU A 52 -8.626 -4.455 -5.367 1.00 2.04 O ATOM 175 OE2 GLU A 52 -7.582 -6.171 -4.512 1.00 1.98 O ATOM 0 H GLU A 52 -9.145 -6.871 -1.555 1.00 0.75 H new ATOM 0 HA GLU A 52 -11.520 -7.625 -2.819 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -11.069 -5.446 -4.081 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -11.144 -5.345 -2.333 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.312 -4.002 -2.948 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -8.604 -5.477 -2.319 1.00 0.91 H new ATOM 182 N ASN A 53 -11.083 -7.883 -5.368 1.00 1.07 N ATOM 183 CA ASN A 53 -10.873 -8.564 -6.643 1.00 1.20 C ATOM 184 C ASN A 53 -11.090 -7.616 -7.820 1.00 1.20 C ATOM 185 O ASN A 53 -10.618 -7.866 -8.933 1.00 1.34 O ATOM 186 CB ASN A 53 -11.812 -9.769 -6.758 1.00 1.31 C ATOM 187 CG ASN A 53 -11.510 -10.636 -7.969 1.00 1.88 C ATOM 188 OD1 ASN A 53 -10.362 -10.751 -8.399 1.00 2.59 O ATOM 189 ND2 ASN A 53 -12.536 -11.260 -8.523 1.00 2.43 N ATOM 0 H ASN A 53 -11.973 -7.392 -5.288 1.00 1.07 H new ATOM 0 HA ASN A 53 -9.840 -8.910 -6.674 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -11.732 -10.374 -5.855 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -12.842 -9.417 -6.816 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -12.390 -11.861 -9.334 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -13.473 -11.141 -8.139 1.00 2.43 H new ATOM 196 N LEU A 54 -11.819 -6.539 -7.575 1.00 1.12 N ATOM 197 CA LEU A 54 -12.064 -5.534 -8.587 1.00 1.15 C ATOM 198 C LEU A 54 -10.865 -4.593 -8.695 1.00 1.13 C ATOM 199 O LEU A 54 -9.873 -4.773 -7.999 1.00 1.13 O ATOM 200 CB LEU A 54 -13.319 -4.768 -8.205 1.00 1.18 C ATOM 201 CG LEU A 54 -14.306 -4.523 -9.331 1.00 1.18 C ATOM 202 CD1 LEU A 54 -14.713 -5.827 -9.995 1.00 1.28 C ATOM 203 CD2 LEU A 54 -15.512 -3.817 -8.768 1.00 1.81 C ATOM 0 H LEU A 54 -12.253 -6.341 -6.674 1.00 1.12 H new ATOM 0 HA LEU A 54 -12.205 -6.005 -9.560 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -13.829 -5.314 -7.411 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -13.023 -3.805 -7.790 1.00 1.18 H new ATOM 0 HG LEU A 54 -13.836 -3.903 -10.094 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -15.421 -5.621 -10.798 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -13.830 -6.317 -10.406 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -15.180 -6.480 -9.258 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -16.232 -3.634 -9.566 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -15.972 -4.439 -8.000 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -15.206 -2.867 -8.330 1.00 1.81 H new ATOM 215 N THR A 55 -10.934 -3.607 -9.576 1.00 1.16 N ATOM 216 CA THR A 55 -9.836 -2.664 -9.713 1.00 1.21 C ATOM 217 C THR A 55 -9.978 -1.545 -8.688 1.00 1.14 C ATOM 218 O THR A 55 -11.098 -1.213 -8.314 1.00 1.09 O ATOM 219 CB THR A 55 -9.761 -2.056 -11.128 1.00 1.31 C ATOM 220 OG1 THR A 55 -10.918 -1.256 -11.388 1.00 1.30 O ATOM 221 CG2 THR A 55 -9.655 -3.144 -12.183 1.00 1.40 C ATOM 0 H THR A 55 -11.725 -3.440 -10.198 1.00 1.16 H new ATOM 0 HA THR A 55 -8.913 -3.218 -9.539 1.00 1.21 H new ATOM 0 HB THR A 55 -8.869 -1.432 -11.175 1.00 1.31 H new ATOM 0 HG1 THR A 55 -10.856 -0.875 -12.289 1.00 1.30 H new ATOM 0 HG21 THR A 55 -9.604 -2.688 -13.172 1.00 1.40 H new ATOM 0 HG22 THR A 55 -8.755 -3.734 -12.008 1.00 1.40 H new ATOM 0 HG23 THR A 55 -10.530 -3.792 -12.127 1.00 1.40 H new ATOM 229 N PRO A 56 -8.863 -0.961 -8.217 1.00 1.18 N ATOM 230 CA PRO A 56 -8.860 0.028 -7.125 1.00 1.10 C ATOM 231 C PRO A 56 -9.954 1.091 -7.263 1.00 1.05 C ATOM 232 O PRO A 56 -10.567 1.498 -6.272 1.00 0.97 O ATOM 233 CB PRO A 56 -7.470 0.674 -7.213 1.00 1.21 C ATOM 234 CG PRO A 56 -6.792 0.064 -8.400 1.00 1.38 C ATOM 235 CD PRO A 56 -7.509 -1.219 -8.705 1.00 1.34 C ATOM 0 HA PRO A 56 -9.064 -0.450 -6.167 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.551 1.755 -7.326 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.899 0.490 -6.303 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.830 0.739 -9.255 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.739 -0.124 -8.188 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -7.500 -1.443 -9.772 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -7.052 -2.068 -8.197 1.00 1.34 H new ATOM 243 N ASP A 57 -10.220 1.502 -8.496 1.00 1.13 N ATOM 244 CA ASP A 57 -11.216 2.533 -8.763 1.00 1.14 C ATOM 245 C ASP A 57 -12.611 1.960 -8.593 1.00 1.07 C ATOM 246 O ASP A 57 -13.452 2.541 -7.909 1.00 1.05 O ATOM 247 CB ASP A 57 -11.064 3.095 -10.177 1.00 1.30 C ATOM 248 CG ASP A 57 -9.722 3.755 -10.404 1.00 1.61 C ATOM 249 OD1 ASP A 57 -9.493 4.846 -9.842 1.00 1.67 O ATOM 250 OD2 ASP A 57 -8.891 3.189 -11.138 1.00 2.15 O ATOM 0 H ASP A 57 -9.759 1.137 -9.329 1.00 1.13 H new ATOM 0 HA ASP A 57 -11.061 3.344 -8.051 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -11.194 2.289 -10.899 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -11.856 3.820 -10.362 1.00 1.30 H new ATOM 255 N GLU A 58 -12.838 0.802 -9.206 1.00 1.09 N ATOM 256 CA GLU A 58 -14.100 0.093 -9.079 1.00 1.05 C ATOM 257 C GLU A 58 -14.374 -0.235 -7.619 1.00 0.93 C ATOM 258 O GLU A 58 -15.514 -0.168 -7.164 1.00 0.93 O ATOM 259 CB GLU A 58 -14.061 -1.194 -9.897 1.00 1.12 C ATOM 260 CG GLU A 58 -14.015 -0.979 -11.388 1.00 1.26 C ATOM 261 CD GLU A 58 -15.241 -0.266 -11.910 1.00 1.83 C ATOM 262 OE1 GLU A 58 -16.299 -0.913 -12.039 1.00 2.54 O ATOM 263 OE2 GLU A 58 -15.153 0.950 -12.188 1.00 2.17 O ATOM 0 H GLU A 58 -12.154 0.334 -9.801 1.00 1.09 H new ATOM 0 HA GLU A 58 -14.899 0.732 -9.455 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -13.188 -1.775 -9.598 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -14.940 -1.792 -9.655 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -13.127 -0.400 -11.641 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -13.919 -1.943 -11.888 1.00 1.26 H new ATOM 270 N VAL A 59 -13.313 -0.584 -6.896 1.00 0.86 N ATOM 271 CA VAL A 59 -13.405 -0.847 -5.463 1.00 0.75 C ATOM 272 C VAL A 59 -14.032 0.344 -4.769 1.00 0.71 C ATOM 273 O VAL A 59 -15.088 0.241 -4.142 1.00 0.71 O ATOM 274 CB VAL A 59 -12.009 -1.084 -4.836 1.00 0.72 C ATOM 275 CG1 VAL A 59 -12.109 -1.283 -3.330 1.00 0.63 C ATOM 276 CG2 VAL A 59 -11.313 -2.275 -5.475 1.00 0.82 C ATOM 0 H VAL A 59 -12.375 -0.692 -7.282 1.00 0.86 H new ATOM 0 HA VAL A 59 -14.011 -1.743 -5.333 1.00 0.75 H new ATOM 0 HB VAL A 59 -11.412 -0.192 -5.028 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -11.113 -1.447 -2.918 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.549 -0.396 -2.874 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.737 -2.149 -3.118 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -10.336 -2.416 -5.014 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.916 -3.171 -5.328 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -11.188 -2.093 -6.542 1.00 0.82 H new ATOM 286 N SER A 60 -13.378 1.477 -4.935 1.00 0.70 N ATOM 287 CA SER A 60 -13.731 2.699 -4.282 1.00 0.70 C ATOM 288 C SER A 60 -15.109 3.221 -4.687 1.00 0.74 C ATOM 289 O SER A 60 -15.955 3.489 -3.831 1.00 0.72 O ATOM 290 CB SER A 60 -12.659 3.701 -4.633 1.00 0.76 C ATOM 291 OG SER A 60 -11.489 3.491 -3.864 1.00 0.97 O ATOM 0 H SER A 60 -12.566 1.564 -5.547 1.00 0.70 H new ATOM 0 HA SER A 60 -13.794 2.529 -3.207 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.419 3.624 -5.693 1.00 0.76 H new ATOM 0 HB3 SER A 60 -13.032 4.711 -4.463 1.00 0.76 H new ATOM 0 HG SER A 60 -10.811 4.153 -4.113 1.00 0.97 H new ATOM 297 N LYS A 61 -15.316 3.372 -5.985 1.00 0.87 N ATOM 298 CA LYS A 61 -16.569 3.905 -6.520 1.00 0.96 C ATOM 299 C LYS A 61 -17.790 3.133 -6.022 1.00 0.94 C ATOM 300 O LYS A 61 -18.843 3.719 -5.779 1.00 1.01 O ATOM 301 CB LYS A 61 -16.553 3.894 -8.050 1.00 1.10 C ATOM 302 CG LYS A 61 -15.531 4.838 -8.663 1.00 1.17 C ATOM 303 CD LYS A 61 -15.593 4.812 -10.183 1.00 1.36 C ATOM 304 CE LYS A 61 -16.926 5.328 -10.698 1.00 2.01 C ATOM 305 NZ LYS A 61 -17.044 5.189 -12.173 1.00 2.54 N ATOM 0 H LYS A 61 -14.628 3.132 -6.698 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.648 4.931 -6.159 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -16.349 2.880 -8.394 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -17.545 4.161 -8.416 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.711 5.852 -8.307 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.531 4.558 -8.333 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.785 5.419 -10.591 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -15.436 3.793 -10.537 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -17.737 4.782 -10.216 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -17.040 6.376 -10.422 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -17.968 5.553 -12.483 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -16.286 5.731 -12.635 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -16.961 4.186 -12.435 1.00 2.54 H new ATOM 319 N ARG A 62 -17.648 1.825 -5.873 1.00 0.88 N ATOM 320 CA ARG A 62 -18.760 0.980 -5.478 1.00 0.89 C ATOM 321 C ARG A 62 -18.999 1.010 -3.973 1.00 0.77 C ATOM 322 O ARG A 62 -20.139 0.917 -3.520 1.00 0.82 O ATOM 323 CB ARG A 62 -18.526 -0.452 -5.946 1.00 0.93 C ATOM 324 CG ARG A 62 -18.625 -0.606 -7.448 1.00 1.21 C ATOM 325 CD ARG A 62 -18.340 -2.023 -7.887 1.00 1.21 C ATOM 326 NE ARG A 62 -19.209 -2.995 -7.225 1.00 1.85 N ATOM 327 CZ ARG A 62 -19.612 -4.129 -7.787 1.00 2.40 C ATOM 328 NH1 ARG A 62 -19.276 -4.410 -9.040 1.00 2.53 N ATOM 329 NH2 ARG A 62 -20.365 -4.974 -7.097 1.00 3.33 N ATOM 0 H ARG A 62 -16.771 1.326 -6.021 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.655 1.376 -5.957 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -17.540 -0.780 -5.617 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -19.255 -1.108 -5.470 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -19.623 -0.317 -7.778 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.921 0.072 -7.930 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -18.469 -2.099 -8.967 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -17.299 -2.265 -7.673 1.00 1.21 H new ATOM 0 HE ARG A 62 -19.524 -2.790 -6.277 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -18.706 -3.754 -9.575 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -19.587 -5.282 -9.468 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -20.633 -4.752 -6.138 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -20.677 -5.846 -7.525 1.00 3.33 H new ATOM 343 N GLU A 63 -17.933 1.143 -3.197 1.00 0.68 N ATOM 344 CA GLU A 63 -18.059 1.170 -1.744 1.00 0.63 C ATOM 345 C GLU A 63 -18.476 2.554 -1.257 1.00 0.66 C ATOM 346 O GLU A 63 -19.049 2.693 -0.181 1.00 0.73 O ATOM 347 CB GLU A 63 -16.758 0.726 -1.081 1.00 0.59 C ATOM 348 CG GLU A 63 -15.542 1.503 -1.533 1.00 0.58 C ATOM 349 CD GLU A 63 -14.279 1.014 -0.875 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.320 0.624 0.280 1.00 1.21 O ATOM 351 OE2 GLU A 63 -13.241 1.011 -1.570 1.00 1.25 O ATOM 0 H GLU A 63 -16.978 1.233 -3.544 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.842 0.467 -1.459 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.860 0.827 -0.000 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.599 -0.332 -1.289 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.442 1.420 -2.615 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -15.683 2.560 -1.306 1.00 0.58 H new ATOM 358 N GLY A 64 -18.176 3.574 -2.044 1.00 0.69 N ATOM 359 CA GLY A 64 -18.679 4.901 -1.746 1.00 0.74 C ATOM 360 C GLY A 64 -17.610 5.877 -1.298 1.00 0.72 C ATOM 361 O GLY A 64 -17.614 7.033 -1.719 1.00 0.86 O ATOM 0 H GLY A 64 -17.596 3.510 -2.881 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.172 5.299 -2.633 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.437 4.825 -0.967 1.00 0.74 H new ATOM 365 N ILE A 65 -16.692 5.428 -0.447 1.00 0.62 N ATOM 366 CA ILE A 65 -15.679 6.325 0.110 1.00 0.67 C ATOM 367 C ILE A 65 -14.781 6.919 -0.970 1.00 0.81 C ATOM 368 O ILE A 65 -14.459 8.106 -0.933 1.00 1.76 O ATOM 369 CB ILE A 65 -14.809 5.646 1.193 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.288 4.281 0.738 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.593 5.502 2.481 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.530 3.544 1.822 1.00 0.49 C ATOM 0 H ILE A 65 -16.627 4.461 -0.130 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.238 7.132 0.583 1.00 0.67 H new ATOM 0 HB ILE A 65 -13.944 6.287 1.365 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.128 3.669 0.410 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.636 4.417 -0.125 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -14.969 5.022 3.235 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -15.897 6.487 2.834 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.479 4.892 2.302 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.187 2.584 1.437 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.671 4.138 2.134 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.186 3.379 2.677 1.00 0.49 H new ATOM 384 N ASN A 66 -14.380 6.078 -1.925 1.00 0.75 N ATOM 385 CA ASN A 66 -13.581 6.507 -3.081 1.00 0.69 C ATOM 386 C ASN A 66 -12.191 7.002 -2.690 1.00 0.61 C ATOM 387 O ASN A 66 -11.407 7.388 -3.557 1.00 0.64 O ATOM 388 CB ASN A 66 -14.306 7.593 -3.879 1.00 0.83 C ATOM 389 CG ASN A 66 -15.387 7.036 -4.783 1.00 1.38 C ATOM 390 OD1 ASN A 66 -15.125 6.680 -5.929 1.00 2.09 O ATOM 391 ND2 ASN A 66 -16.608 6.965 -4.283 1.00 2.10 N ATOM 0 H ASN A 66 -14.598 5.082 -1.922 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.453 5.621 -3.703 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -14.750 8.309 -3.188 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -13.581 8.139 -4.482 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -17.373 6.605 -4.854 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -16.786 7.271 -3.326 1.00 2.10 H new ATOM 398 N ALA A 67 -11.882 6.978 -1.397 1.00 0.54 N ATOM 399 CA ALA A 67 -10.607 7.488 -0.909 1.00 0.49 C ATOM 400 C ALA A 67 -9.429 6.653 -1.411 1.00 0.44 C ATOM 401 O ALA A 67 -9.586 5.484 -1.782 1.00 0.45 O ATOM 402 CB ALA A 67 -10.614 7.537 0.607 1.00 0.47 C ATOM 0 H ALA A 67 -12.497 6.611 -0.670 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.480 8.497 -1.302 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -9.657 7.919 0.963 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.416 8.193 0.946 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -10.774 6.534 1.003 1.00 0.47 H new ATOM 408 N GLU A 68 -8.251 7.268 -1.410 1.00 0.44 N ATOM 409 CA GLU A 68 -7.029 6.623 -1.878 1.00 0.42 C ATOM 410 C GLU A 68 -6.638 5.479 -0.956 1.00 0.34 C ATOM 411 O GLU A 68 -6.628 5.635 0.266 1.00 0.35 O ATOM 412 CB GLU A 68 -5.889 7.645 -1.939 1.00 0.50 C ATOM 413 CG GLU A 68 -6.108 8.740 -2.975 1.00 0.78 C ATOM 414 CD GLU A 68 -5.067 9.839 -2.913 1.00 1.79 C ATOM 415 OE1 GLU A 68 -5.255 10.804 -2.145 1.00 2.59 O ATOM 416 OE2 GLU A 68 -4.042 9.733 -3.618 1.00 2.28 O ATOM 0 H GLU A 68 -8.116 8.226 -1.086 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.213 6.222 -2.875 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.770 8.103 -0.957 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -4.957 7.125 -2.163 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -6.099 8.296 -3.970 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -7.096 9.176 -2.829 1.00 0.78 H new ATOM 423 N GLN A 69 -6.315 4.333 -1.546 1.00 0.31 N ATOM 424 CA GLN A 69 -5.930 3.161 -0.773 1.00 0.24 C ATOM 425 C GLN A 69 -4.542 3.350 -0.184 1.00 0.21 C ATOM 426 O GLN A 69 -3.549 3.332 -0.907 1.00 0.27 O ATOM 427 CB GLN A 69 -5.950 1.887 -1.626 1.00 0.29 C ATOM 428 CG GLN A 69 -7.342 1.372 -1.961 1.00 0.43 C ATOM 429 CD GLN A 69 -7.760 1.680 -3.384 1.00 0.80 C ATOM 430 OE1 GLN A 69 -6.922 1.836 -4.271 1.00 1.64 O ATOM 431 NE2 GLN A 69 -9.062 1.732 -3.622 1.00 0.76 N ATOM 0 H GLN A 69 -6.313 4.192 -2.556 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.659 3.048 0.029 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.414 2.079 -2.556 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.404 1.104 -1.100 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.372 0.294 -1.805 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -8.062 1.814 -1.273 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.726 1.597 -2.859 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.401 1.907 -4.568 1.00 0.76 H new ATOM 440 N ILE A 70 -4.486 3.541 1.125 1.00 0.19 N ATOM 441 CA ILE A 70 -3.223 3.740 1.816 1.00 0.17 C ATOM 442 C ILE A 70 -2.747 2.432 2.437 1.00 0.14 C ATOM 443 O ILE A 70 -3.203 2.040 3.508 1.00 0.14 O ATOM 444 CB ILE A 70 -3.362 4.822 2.903 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.914 6.103 2.272 1.00 0.27 C ATOM 446 CG2 ILE A 70 -2.019 5.085 3.576 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.252 7.188 3.264 1.00 0.36 C ATOM 0 H ILE A 70 -5.305 3.562 1.732 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.484 4.074 1.088 1.00 0.17 H new ATOM 0 HB ILE A 70 -4.054 4.474 3.670 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.182 6.490 1.564 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.810 5.856 1.702 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.139 5.853 4.341 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.657 4.166 4.038 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.299 5.424 2.831 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.636 8.059 2.733 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -5.009 6.823 3.958 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.356 7.467 3.818 1.00 0.36 H new ATOM 459 N VAL A 71 -1.837 1.756 1.750 1.00 0.15 N ATOM 460 CA VAL A 71 -1.342 0.459 2.193 1.00 0.15 C ATOM 461 C VAL A 71 -0.588 0.595 3.517 1.00 0.14 C ATOM 462 O VAL A 71 0.479 1.210 3.580 1.00 0.17 O ATOM 463 CB VAL A 71 -0.423 -0.188 1.130 1.00 0.18 C ATOM 464 CG1 VAL A 71 -0.021 -1.596 1.536 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.089 -0.207 -0.239 1.00 0.20 C ATOM 0 H VAL A 71 -1.424 2.086 0.878 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.206 -0.189 2.338 1.00 0.15 H new ATOM 0 HB VAL A 71 0.477 0.423 1.065 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.625 -2.025 0.770 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.515 -1.562 2.485 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.914 -2.212 1.645 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.418 -0.668 -0.964 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -2.014 -0.781 -0.186 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.312 0.814 -0.549 1.00 0.20 H new ATOM 475 N ILE A 72 -1.168 0.039 4.575 1.00 0.14 N ATOM 476 CA ILE A 72 -0.579 0.097 5.909 1.00 0.17 C ATOM 477 C ILE A 72 0.163 -1.188 6.237 1.00 0.22 C ATOM 478 O ILE A 72 1.057 -1.206 7.086 1.00 0.29 O ATOM 479 CB ILE A 72 -1.652 0.331 6.985 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.816 -0.643 6.772 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.125 1.776 6.949 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.779 -0.725 7.930 1.00 0.21 C ATOM 0 H ILE A 72 -2.055 -0.462 4.533 1.00 0.14 H new ATOM 0 HA ILE A 72 0.120 0.933 5.907 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.226 0.145 7.971 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.365 -0.344 5.879 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.412 -1.637 6.580 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.885 1.929 7.715 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.281 2.440 7.137 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.549 1.996 5.969 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.571 -1.436 7.695 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.248 -1.055 8.823 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.216 0.257 8.110 1.00 0.21 H new ATOM 494 N LYS A 73 -0.221 -2.261 5.570 1.00 0.21 N ATOM 495 CA LYS A 73 0.432 -3.545 5.744 1.00 0.26 C ATOM 496 C LYS A 73 0.676 -4.195 4.396 1.00 0.24 C ATOM 497 O LYS A 73 -0.175 -4.142 3.510 1.00 0.25 O ATOM 498 CB LYS A 73 -0.409 -4.472 6.624 1.00 0.35 C ATOM 499 CG LYS A 73 0.046 -5.926 6.565 1.00 0.41 C ATOM 500 CD LYS A 73 -0.801 -6.847 7.425 1.00 0.59 C ATOM 501 CE LYS A 73 -0.478 -6.729 8.913 1.00 1.22 C ATOM 502 NZ LYS A 73 -0.892 -5.425 9.496 1.00 1.94 N ATOM 0 H LYS A 73 -0.988 -2.268 4.898 1.00 0.21 H new ATOM 0 HA LYS A 73 1.388 -3.374 6.239 1.00 0.26 H new ATOM 0 HB2 LYS A 73 -0.363 -4.124 7.656 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.452 -4.411 6.313 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.012 -6.270 5.531 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.085 -5.989 6.888 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.855 -6.617 7.267 1.00 0.59 H new ATOM 0 HD3 LYS A 73 -0.648 -7.878 7.105 1.00 0.59 H new ATOM 0 HE2 LYS A 73 -0.975 -7.536 9.452 1.00 1.22 H new ATOM 0 HE3 LYS A 73 0.594 -6.862 9.058 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 -1.181 -5.563 10.486 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 -0.094 -4.759 9.458 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -1.691 -5.040 8.953 1.00 1.94 H new ATOM 516 N ILE A 74 1.829 -4.819 4.255 1.00 0.28 N ATOM 517 CA ILE A 74 2.206 -5.457 3.006 1.00 0.31 C ATOM 518 C ILE A 74 2.582 -6.912 3.241 1.00 0.38 C ATOM 519 O ILE A 74 3.407 -7.210 4.103 1.00 0.41 O ATOM 520 CB ILE A 74 3.436 -4.804 2.342 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.435 -3.281 2.434 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.498 -5.220 0.890 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.752 -2.678 1.992 1.00 0.44 C ATOM 0 H ILE A 74 2.526 -4.899 4.995 1.00 0.28 H new ATOM 0 HA ILE A 74 1.336 -5.353 2.358 1.00 0.31 H new ATOM 0 HB ILE A 74 4.314 -5.152 2.887 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.630 -2.882 1.817 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.227 -2.981 3.461 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.366 -4.761 0.417 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.581 -6.305 0.826 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.592 -4.895 0.379 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.701 -1.592 2.076 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.555 -3.054 2.626 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.949 -2.953 0.956 1.00 0.44 H new ATOM 535 N THR A 75 1.982 -7.811 2.482 1.00 0.45 N ATOM 536 CA THR A 75 2.465 -9.179 2.400 1.00 0.54 C ATOM 537 C THR A 75 2.386 -9.623 0.950 1.00 0.60 C ATOM 538 O THR A 75 1.548 -9.131 0.195 1.00 0.71 O ATOM 539 CB THR A 75 1.673 -10.168 3.298 1.00 0.69 C ATOM 540 OG1 THR A 75 0.302 -10.251 2.893 1.00 0.79 O ATOM 541 CG2 THR A 75 1.737 -9.762 4.763 1.00 0.72 C ATOM 0 H THR A 75 1.158 -7.619 1.912 1.00 0.45 H new ATOM 0 HA THR A 75 3.491 -9.193 2.767 1.00 0.54 H new ATOM 0 HB THR A 75 2.141 -11.145 3.180 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.023 -9.396 2.505 1.00 0.79 H new ATOM 0 HG21 THR A 75 1.172 -10.475 5.363 1.00 0.72 H new ATOM 0 HG22 THR A 75 2.776 -9.752 5.093 1.00 0.72 H new ATOM 0 HG23 THR A 75 1.309 -8.767 4.884 1.00 0.72 H new ATOM 549 N ASP A 76 3.264 -10.533 0.557 1.00 0.70 N ATOM 550 CA ASP A 76 3.318 -10.999 -0.827 1.00 0.82 C ATOM 551 C ASP A 76 2.136 -11.910 -1.156 1.00 0.90 C ATOM 552 O ASP A 76 2.070 -12.497 -2.236 1.00 1.08 O ATOM 553 CB ASP A 76 4.655 -11.696 -1.131 1.00 1.00 C ATOM 554 CG ASP A 76 4.974 -12.856 -0.205 1.00 1.46 C ATOM 555 OD1 ASP A 76 5.558 -12.613 0.875 1.00 2.15 O ATOM 556 OD2 ASP A 76 4.680 -14.014 -0.565 1.00 2.01 O ATOM 0 H ASP A 76 3.951 -10.966 1.175 1.00 0.70 H new ATOM 0 HA ASP A 76 3.247 -10.121 -1.469 1.00 0.82 H new ATOM 0 HB2 ASP A 76 4.638 -12.060 -2.158 1.00 1.00 H new ATOM 0 HB3 ASP A 76 5.458 -10.962 -1.066 1.00 1.00 H new ATOM 561 N GLN A 77 1.208 -12.022 -0.212 1.00 0.94 N ATOM 562 CA GLN A 77 -0.044 -12.731 -0.435 1.00 1.14 C ATOM 563 C GLN A 77 -1.176 -11.721 -0.644 1.00 1.11 C ATOM 564 O GLN A 77 -2.324 -12.092 -0.893 1.00 1.49 O ATOM 565 CB GLN A 77 -0.385 -13.641 0.753 1.00 1.36 C ATOM 566 CG GLN A 77 0.750 -14.542 1.211 1.00 1.89 C ATOM 567 CD GLN A 77 1.694 -13.872 2.198 1.00 2.52 C ATOM 568 OE1 GLN A 77 2.676 -13.242 1.814 1.00 2.98 O ATOM 569 NE2 GLN A 77 1.402 -14.004 3.481 1.00 3.19 N ATOM 0 H GLN A 77 1.302 -11.626 0.723 1.00 0.94 H new ATOM 0 HA GLN A 77 0.070 -13.353 -1.323 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -0.697 -13.019 1.592 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -1.238 -14.263 0.483 1.00 1.36 H new ATOM 0 HG2 GLN A 77 0.330 -15.437 1.671 1.00 1.89 H new ATOM 0 HG3 GLN A 77 1.319 -14.868 0.340 1.00 1.89 H new ATOM 0 HE21 GLN A 77 0.578 -14.534 3.765 1.00 3.19 H new ATOM 0 HE22 GLN A 77 2.001 -13.575 4.187 1.00 3.19 H new ATOM 578 N GLY A 78 -0.833 -10.441 -0.543 1.00 0.78 N ATOM 579 CA GLY A 78 -1.818 -9.376 -0.633 1.00 0.78 C ATOM 580 C GLY A 78 -1.599 -8.343 0.456 1.00 0.72 C ATOM 581 O GLY A 78 -1.162 -8.685 1.552 1.00 0.99 O ATOM 0 H GLY A 78 0.124 -10.118 -0.398 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -1.755 -8.898 -1.611 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.821 -9.794 -0.547 1.00 0.78 H new ATOM 585 N TYR A 79 -1.889 -7.083 0.181 1.00 0.43 N ATOM 586 CA TYR A 79 -1.617 -6.035 1.158 1.00 0.36 C ATOM 587 C TYR A 79 -2.907 -5.512 1.760 1.00 0.28 C ATOM 588 O TYR A 79 -3.990 -5.786 1.258 1.00 0.28 O ATOM 589 CB TYR A 79 -0.840 -4.883 0.547 1.00 0.40 C ATOM 590 CG TYR A 79 -0.174 -5.211 -0.752 1.00 1.14 C ATOM 591 CD1 TYR A 79 0.990 -5.957 -0.806 1.00 2.36 C ATOM 592 CD2 TYR A 79 -0.716 -4.753 -1.921 1.00 1.23 C ATOM 593 CE1 TYR A 79 1.599 -6.236 -2.010 1.00 3.09 C ATOM 594 CE2 TYR A 79 -0.123 -5.018 -3.133 1.00 1.86 C ATOM 595 CZ TYR A 79 1.041 -5.761 -3.173 1.00 2.67 C ATOM 596 OH TYR A 79 1.656 -6.017 -4.375 1.00 3.47 O ATOM 0 H TYR A 79 -2.305 -6.761 -0.693 1.00 0.43 H new ATOM 0 HA TYR A 79 -1.007 -6.482 1.943 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.518 -4.044 0.393 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -0.082 -4.554 1.258 1.00 0.40 H new ATOM 0 HD1 TYR A 79 1.428 -6.326 0.110 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -1.626 -4.173 -1.892 1.00 1.23 H new ATOM 0 HE1 TYR A 79 2.506 -6.822 -2.040 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -0.564 -4.648 -4.047 1.00 1.86 H new ATOM 0 HH TYR A 79 2.136 -6.870 -4.322 1.00 3.47 H new ATOM 606 N VAL A 80 -2.791 -4.757 2.835 1.00 0.29 N ATOM 607 CA VAL A 80 -3.957 -4.198 3.493 1.00 0.27 C ATOM 608 C VAL A 80 -3.861 -2.685 3.508 1.00 0.21 C ATOM 609 O VAL A 80 -2.849 -2.120 3.928 1.00 0.19 O ATOM 610 CB VAL A 80 -4.107 -4.730 4.931 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.441 -4.308 5.531 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.959 -6.243 4.948 1.00 0.40 C ATOM 0 H VAL A 80 -1.901 -4.516 3.272 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.839 -4.505 2.931 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.316 -4.298 5.544 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.522 -4.696 6.546 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.502 -3.220 5.552 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.255 -4.705 4.924 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -4.067 -6.608 5.970 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.729 -6.691 4.320 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.975 -6.517 4.567 1.00 0.40 H new ATOM 622 N THR A 81 -4.905 -2.034 3.033 1.00 0.22 N ATOM 623 CA THR A 81 -4.908 -0.590 2.902 1.00 0.22 C ATOM 624 C THR A 81 -5.855 0.045 3.916 1.00 0.22 C ATOM 625 O THR A 81 -6.963 -0.436 4.120 1.00 0.35 O ATOM 626 CB THR A 81 -5.331 -0.170 1.473 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.643 -0.666 1.176 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.353 -0.695 0.429 1.00 0.40 C ATOM 0 H THR A 81 -5.768 -2.486 2.730 1.00 0.22 H new ATOM 0 HA THR A 81 -3.894 -0.239 3.093 1.00 0.22 H new ATOM 0 HB THR A 81 -5.331 0.919 1.438 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.844 -1.429 1.758 1.00 0.36 H new ATOM 0 HG21 THR A 81 -4.678 -0.383 -0.564 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.359 -0.294 0.628 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.321 -1.784 0.475 1.00 0.40 H new ATOM 636 N SER A 82 -5.414 1.107 4.564 1.00 0.19 N ATOM 637 CA SER A 82 -6.288 1.881 5.425 1.00 0.20 C ATOM 638 C SER A 82 -6.801 3.067 4.639 1.00 0.24 C ATOM 639 O SER A 82 -6.143 4.105 4.560 1.00 0.29 O ATOM 640 CB SER A 82 -5.555 2.359 6.680 1.00 0.25 C ATOM 641 OG SER A 82 -6.439 3.048 7.553 1.00 1.19 O ATOM 0 H SER A 82 -4.456 1.453 4.510 1.00 0.19 H new ATOM 0 HA SER A 82 -7.117 1.253 5.752 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.118 1.505 7.198 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.732 3.015 6.397 1.00 0.25 H new ATOM 0 HG SER A 82 -6.927 2.400 8.103 1.00 1.19 H new ATOM 647 N HIS A 83 -7.963 2.912 4.041 1.00 0.24 N ATOM 648 CA HIS A 83 -8.473 3.931 3.158 1.00 0.30 C ATOM 649 C HIS A 83 -9.906 4.293 3.526 1.00 0.29 C ATOM 650 O HIS A 83 -10.604 3.521 4.187 1.00 0.27 O ATOM 651 CB HIS A 83 -8.346 3.471 1.694 1.00 0.33 C ATOM 652 CG HIS A 83 -9.472 2.626 1.191 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.282 1.752 1.847 1.00 0.39 N flip ATOM 654 CD2 HIS A 83 -9.918 2.654 -0.122 1.00 0.28 C flip ATOM 655 CE1 HIS A 83 -11.205 1.282 0.949 1.00 0.39 C flip ATOM 656 NE2 HIS A 83 -10.964 1.824 -0.210 1.00 0.33 N flip ATOM 0 H HIS A 83 -8.566 2.096 4.151 1.00 0.24 H new ATOM 0 HA HIS A 83 -7.878 4.837 3.272 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.263 4.353 1.059 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.417 2.912 1.585 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -9.498 3.239 -0.927 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.998 0.581 1.166 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.495 1.642 -1.061 1.00 0.33 H new ATOM 664 N GLY A 84 -10.331 5.468 3.102 1.00 0.35 N ATOM 665 CA GLY A 84 -11.662 5.933 3.423 1.00 0.36 C ATOM 666 C GLY A 84 -11.839 6.147 4.907 1.00 0.36 C ATOM 667 O GLY A 84 -11.463 7.186 5.439 1.00 0.42 O ATOM 0 H GLY A 84 -9.776 6.112 2.538 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -11.858 6.866 2.895 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.395 5.208 3.070 1.00 0.36 H new ATOM 671 N ASP A 85 -12.412 5.157 5.567 1.00 0.33 N ATOM 672 CA ASP A 85 -12.619 5.207 7.006 1.00 0.36 C ATOM 673 C ASP A 85 -12.176 3.898 7.658 1.00 0.33 C ATOM 674 O ASP A 85 -12.120 3.785 8.882 1.00 0.38 O ATOM 675 CB ASP A 85 -14.100 5.481 7.294 1.00 0.42 C ATOM 676 CG ASP A 85 -14.442 5.454 8.776 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.118 6.430 9.485 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.034 4.456 9.237 1.00 1.59 O ATOM 0 H ASP A 85 -12.746 4.300 5.126 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.017 6.011 7.429 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.368 6.455 6.884 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.707 4.739 6.775 1.00 0.42 H new ATOM 683 N HIS A 86 -11.822 2.919 6.835 1.00 0.29 N ATOM 684 CA HIS A 86 -11.594 1.566 7.327 1.00 0.27 C ATOM 685 C HIS A 86 -10.337 0.942 6.755 1.00 0.23 C ATOM 686 O HIS A 86 -9.589 1.569 6.005 1.00 0.21 O ATOM 687 CB HIS A 86 -12.797 0.672 6.996 1.00 0.29 C ATOM 688 CG HIS A 86 -13.167 0.634 5.537 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.450 0.882 5.071 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.411 0.344 4.430 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.443 0.737 3.737 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.248 0.409 3.325 1.00 0.28 N ATOM 0 H HIS A 86 -11.687 3.035 5.831 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.466 1.643 8.407 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.581 -0.343 7.329 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.658 1.018 7.567 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.257 1.131 5.642 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.357 0.108 4.420 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.302 0.872 3.096 1.00 0.30 H new ATOM 700 N TYR A 87 -10.113 -0.301 7.138 1.00 0.24 N ATOM 701 CA TYR A 87 -9.056 -1.099 6.566 1.00 0.22 C ATOM 702 C TYR A 87 -9.655 -1.995 5.498 1.00 0.22 C ATOM 703 O TYR A 87 -10.656 -2.675 5.736 1.00 0.26 O ATOM 704 CB TYR A 87 -8.376 -1.944 7.646 1.00 0.25 C ATOM 705 CG TYR A 87 -7.922 -1.139 8.836 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.303 0.081 8.657 1.00 0.27 C ATOM 707 CD2 TYR A 87 -8.113 -1.595 10.134 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.883 0.832 9.724 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.695 -0.846 11.218 1.00 0.43 C ATOM 710 CZ TYR A 87 -7.081 0.370 11.007 1.00 0.40 C ATOM 711 OH TYR A 87 -6.665 1.126 12.079 1.00 0.46 O ATOM 0 H TYR A 87 -10.660 -0.781 7.853 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.301 -0.448 6.126 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -9.068 -2.717 7.982 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.516 -2.453 7.211 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -7.146 0.452 7.655 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.595 -2.548 10.299 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.398 1.783 9.560 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.848 -1.211 12.223 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.880 0.658 12.913 1.00 0.46 H new ATOM 721 N HIS A 88 -9.056 -1.988 4.329 1.00 0.21 N ATOM 722 CA HIS A 88 -9.540 -2.778 3.220 1.00 0.25 C ATOM 723 C HIS A 88 -8.399 -3.638 2.698 1.00 0.26 C ATOM 724 O HIS A 88 -7.319 -3.129 2.393 1.00 0.28 O ATOM 725 CB HIS A 88 -10.084 -1.862 2.115 1.00 0.29 C ATOM 726 CG HIS A 88 -11.191 -2.476 1.313 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.352 -1.805 1.025 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.291 -3.722 0.772 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.132 -2.609 0.344 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.531 -3.798 0.160 1.00 0.51 N ATOM 0 H HIS A 88 -8.223 -1.437 4.121 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.355 -3.423 3.550 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.444 -0.938 2.566 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.268 -1.592 1.444 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.545 -4.502 0.813 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.117 -2.353 -0.018 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.915 -4.602 -0.336 1.00 0.51 H new ATOM 738 N TYR A 89 -8.634 -4.934 2.607 1.00 0.28 N ATOM 739 CA TYR A 89 -7.593 -5.864 2.227 1.00 0.31 C ATOM 740 C TYR A 89 -7.572 -5.954 0.706 1.00 0.36 C ATOM 741 O TYR A 89 -8.618 -6.104 0.079 1.00 0.44 O ATOM 742 CB TYR A 89 -7.861 -7.230 2.873 1.00 0.45 C ATOM 743 CG TYR A 89 -6.621 -8.056 3.145 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.598 -8.143 2.217 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.482 -8.762 4.334 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.475 -8.897 2.456 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.355 -9.522 4.584 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.354 -9.585 3.640 1.00 0.53 C ATOM 749 OH TYR A 89 -3.225 -10.333 3.883 1.00 0.60 O ATOM 0 H TYR A 89 -9.540 -5.365 2.792 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.618 -5.525 2.575 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.391 -7.074 3.813 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.525 -7.800 2.223 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.685 -7.606 1.284 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -7.267 -8.716 5.074 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -3.690 -8.949 1.716 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -5.260 -10.063 5.514 1.00 0.62 H new ATOM 0 HH TYR A 89 -3.296 -10.755 4.765 1.00 0.60 H new ATOM 759 N TYR A 90 -6.393 -5.856 0.122 1.00 0.45 N ATOM 760 CA TYR A 90 -6.269 -5.629 -1.308 1.00 0.69 C ATOM 761 C TYR A 90 -5.243 -6.571 -1.930 1.00 0.55 C ATOM 762 O TYR A 90 -4.159 -6.798 -1.390 1.00 0.47 O ATOM 763 CB TYR A 90 -5.933 -4.146 -1.491 1.00 1.04 C ATOM 764 CG TYR A 90 -5.625 -3.651 -2.886 1.00 0.95 C ATOM 765 CD1 TYR A 90 -4.448 -3.983 -3.547 1.00 1.70 C ATOM 766 CD2 TYR A 90 -6.512 -2.796 -3.520 1.00 1.32 C ATOM 767 CE1 TYR A 90 -4.176 -3.480 -4.806 1.00 2.40 C ATOM 768 CE2 TYR A 90 -6.252 -2.296 -4.775 1.00 2.07 C ATOM 769 CZ TYR A 90 -5.082 -2.640 -5.415 1.00 2.47 C ATOM 770 OH TYR A 90 -4.817 -2.139 -6.667 1.00 3.42 O ATOM 0 H TYR A 90 -5.504 -5.930 0.616 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.197 -5.853 -1.834 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -6.772 -3.565 -1.109 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -5.074 -3.919 -0.860 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -3.737 -4.642 -3.071 1.00 1.70 H new ATOM 0 HD2 TYR A 90 -7.427 -2.516 -3.018 1.00 1.32 H new ATOM 0 HE1 TYR A 90 -3.258 -3.744 -5.309 1.00 2.40 H new ATOM 0 HE2 TYR A 90 -6.961 -1.638 -5.255 1.00 2.07 H new ATOM 0 HH TYR A 90 -5.173 -2.749 -7.346 1.00 3.42 H new ATOM 780 N ASN A 91 -5.619 -7.114 -3.069 1.00 0.67 N ATOM 781 CA ASN A 91 -4.896 -8.191 -3.715 1.00 0.59 C ATOM 782 C ASN A 91 -4.030 -7.683 -4.865 1.00 0.49 C ATOM 783 O ASN A 91 -4.139 -6.529 -5.279 1.00 0.69 O ATOM 784 CB ASN A 91 -5.923 -9.200 -4.232 1.00 0.85 C ATOM 785 CG ASN A 91 -6.107 -9.172 -5.744 1.00 1.27 C ATOM 786 OD1 ASN A 91 -5.529 -9.983 -6.468 1.00 1.58 O ATOM 787 ND2 ASN A 91 -6.899 -8.230 -6.229 1.00 2.04 N ATOM 0 H ASN A 91 -6.449 -6.815 -3.581 1.00 0.67 H new ATOM 0 HA ASN A 91 -4.223 -8.656 -2.995 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -5.617 -10.202 -3.931 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.883 -9.003 -3.755 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -7.048 -8.157 -7.235 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -7.361 -7.576 -5.597 1.00 2.04 H new ATOM 794 N GLY A 92 -3.176 -8.556 -5.382 1.00 0.40 N ATOM 795 CA GLY A 92 -2.380 -8.217 -6.539 1.00 0.41 C ATOM 796 C GLY A 92 -1.221 -7.317 -6.193 1.00 0.33 C ATOM 797 O GLY A 92 -0.691 -7.388 -5.087 1.00 0.47 O ATOM 0 H GLY A 92 -3.022 -9.496 -5.017 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -2.003 -9.131 -6.998 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -3.011 -7.725 -7.280 1.00 0.41 H new ATOM 801 N LYS A 93 -0.817 -6.490 -7.144 1.00 0.40 N ATOM 802 CA LYS A 93 0.268 -5.544 -6.942 1.00 0.35 C ATOM 803 C LYS A 93 -0.260 -4.150 -6.649 1.00 0.35 C ATOM 804 O LYS A 93 -1.316 -3.754 -7.148 1.00 0.47 O ATOM 805 CB LYS A 93 1.146 -5.500 -8.181 1.00 0.36 C ATOM 806 CG LYS A 93 1.835 -6.812 -8.449 1.00 0.39 C ATOM 807 CD LYS A 93 2.838 -7.135 -7.357 1.00 0.63 C ATOM 808 CE LYS A 93 3.733 -8.296 -7.741 1.00 1.42 C ATOM 809 NZ LYS A 93 2.959 -9.502 -8.147 1.00 2.03 N ATOM 0 H LYS A 93 -1.231 -6.456 -8.076 1.00 0.40 H new ATOM 0 HA LYS A 93 0.850 -5.878 -6.083 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.537 -5.231 -9.044 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.896 -4.718 -8.063 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.094 -7.609 -8.514 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.343 -6.770 -9.413 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.450 -6.256 -7.154 1.00 0.63 H new ATOM 0 HD3 LYS A 93 2.308 -7.374 -6.435 1.00 0.63 H new ATOM 0 HE2 LYS A 93 4.384 -7.993 -8.561 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.377 -8.548 -6.899 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 3.603 -10.314 -8.236 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 2.237 -9.710 -7.428 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 2.496 -9.326 -9.061 1.00 2.03 H new ATOM 823 N VAL A 94 0.488 -3.421 -5.834 1.00 0.31 N ATOM 824 CA VAL A 94 0.178 -2.026 -5.551 1.00 0.29 C ATOM 825 C VAL A 94 0.249 -1.230 -6.849 1.00 0.28 C ATOM 826 O VAL A 94 1.258 -1.281 -7.549 1.00 0.30 O ATOM 827 CB VAL A 94 1.166 -1.399 -4.534 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.744 0.018 -4.195 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.272 -2.228 -3.263 1.00 0.41 C ATOM 0 H VAL A 94 1.317 -3.773 -5.355 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.821 -1.992 -5.117 1.00 0.29 H new ATOM 0 HB VAL A 94 2.150 -1.381 -5.003 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.447 0.446 -3.480 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.736 0.622 -5.102 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.255 0.006 -3.759 1.00 0.32 H new ATOM 0 HG21 VAL A 94 1.974 -1.754 -2.577 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.292 -2.296 -2.790 1.00 0.41 H new ATOM 0 HG23 VAL A 94 1.626 -3.229 -3.510 1.00 0.41 H new ATOM 839 N PRO A 95 -0.820 -0.509 -7.208 1.00 0.27 N ATOM 840 CA PRO A 95 -0.839 0.270 -8.435 1.00 0.28 C ATOM 841 C PRO A 95 0.065 1.486 -8.349 1.00 0.25 C ATOM 842 O PRO A 95 0.429 1.913 -7.252 1.00 0.27 O ATOM 843 CB PRO A 95 -2.292 0.697 -8.594 1.00 0.33 C ATOM 844 CG PRO A 95 -2.880 0.622 -7.233 1.00 0.33 C ATOM 845 CD PRO A 95 -2.077 -0.392 -6.454 1.00 0.30 C ATOM 0 HA PRO A 95 -0.472 -0.310 -9.282 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.362 1.708 -8.996 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.820 0.041 -9.286 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.846 1.596 -6.745 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.928 0.327 -7.283 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.899 -0.059 -5.431 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.595 -1.349 -6.392 1.00 0.30 H new ATOM 853 N TYR A 96 0.422 2.030 -9.494 1.00 0.26 N ATOM 854 CA TYR A 96 1.349 3.150 -9.569 1.00 0.27 C ATOM 855 C TYR A 96 0.934 4.276 -8.615 1.00 0.26 C ATOM 856 O TYR A 96 1.755 4.797 -7.857 1.00 0.30 O ATOM 857 CB TYR A 96 1.393 3.669 -11.011 1.00 0.33 C ATOM 858 CG TYR A 96 2.654 4.421 -11.381 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.338 5.184 -10.450 1.00 0.30 C ATOM 860 CD2 TYR A 96 3.157 4.366 -12.675 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.482 5.874 -10.789 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.303 5.051 -13.024 1.00 0.68 C ATOM 863 CZ TYR A 96 4.962 5.805 -12.079 1.00 0.51 C ATOM 864 OH TYR A 96 6.103 6.493 -12.429 1.00 0.59 O ATOM 0 H TYR A 96 0.080 1.711 -10.401 1.00 0.26 H new ATOM 0 HA TYR A 96 2.339 2.808 -9.268 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.280 2.823 -11.689 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.537 4.324 -11.172 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.967 5.240 -9.437 1.00 0.30 H new ATOM 0 HD2 TYR A 96 2.643 3.777 -13.420 1.00 0.61 H new ATOM 0 HE1 TYR A 96 4.999 6.465 -10.048 1.00 0.35 H new ATOM 0 HE2 TYR A 96 4.681 4.996 -14.034 1.00 0.68 H new ATOM 0 HH TYR A 96 6.303 6.335 -13.375 1.00 0.59 H new ATOM 874 N ASP A 97 -0.347 4.613 -8.624 1.00 0.28 N ATOM 875 CA ASP A 97 -0.827 5.783 -7.897 1.00 0.33 C ATOM 876 C ASP A 97 -1.462 5.427 -6.553 1.00 0.32 C ATOM 877 O ASP A 97 -2.217 6.223 -5.994 1.00 0.38 O ATOM 878 CB ASP A 97 -1.824 6.573 -8.749 1.00 0.43 C ATOM 879 CG ASP A 97 -2.909 5.700 -9.347 1.00 1.07 C ATOM 880 OD1 ASP A 97 -2.678 5.085 -10.406 1.00 1.82 O ATOM 881 OD2 ASP A 97 -4.005 5.625 -8.747 1.00 1.07 O ATOM 0 H ASP A 97 -1.071 4.097 -9.124 1.00 0.28 H new ATOM 0 HA ASP A 97 0.048 6.399 -7.689 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -2.285 7.348 -8.136 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.288 7.079 -9.552 1.00 0.43 H new ATOM 886 N ALA A 98 -1.166 4.242 -6.033 1.00 0.27 N ATOM 887 CA ALA A 98 -1.640 3.872 -4.704 1.00 0.27 C ATOM 888 C ALA A 98 -0.810 4.561 -3.636 1.00 0.26 C ATOM 889 O ALA A 98 0.342 4.921 -3.869 1.00 0.40 O ATOM 890 CB ALA A 98 -1.599 2.372 -4.502 1.00 0.30 C ATOM 0 H ALA A 98 -0.608 3.529 -6.503 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.676 4.199 -4.619 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.958 2.130 -3.502 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -2.234 1.888 -5.243 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.574 2.018 -4.615 1.00 0.30 H new ATOM 896 N ILE A 99 -1.411 4.737 -2.472 1.00 0.18 N ATOM 897 CA ILE A 99 -0.788 5.460 -1.382 1.00 0.17 C ATOM 898 C ILE A 99 -0.248 4.491 -0.331 1.00 0.16 C ATOM 899 O ILE A 99 -0.842 3.446 -0.079 1.00 0.16 O ATOM 900 CB ILE A 99 -1.818 6.405 -0.739 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.485 7.266 -1.812 1.00 0.21 C ATOM 902 CG2 ILE A 99 -1.186 7.273 0.330 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.526 7.932 -2.774 1.00 0.29 C ATOM 0 H ILE A 99 -2.343 4.383 -2.258 1.00 0.18 H new ATOM 0 HA ILE A 99 0.046 6.040 -1.777 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.579 5.794 -0.254 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -3.175 6.643 -2.381 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -3.081 8.036 -1.322 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.943 7.927 0.762 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.765 6.640 1.111 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.394 7.877 -0.113 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -2.088 8.521 -3.499 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.851 8.585 -2.221 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.947 7.170 -3.296 1.00 0.29 H new ATOM 915 N ILE A 100 0.888 4.825 0.262 1.00 0.17 N ATOM 916 CA ILE A 100 1.496 3.983 1.278 1.00 0.18 C ATOM 917 C ILE A 100 1.594 4.716 2.616 1.00 0.18 C ATOM 918 O ILE A 100 1.649 5.947 2.671 1.00 0.20 O ATOM 919 CB ILE A 100 2.907 3.535 0.848 1.00 0.20 C ATOM 920 CG1 ILE A 100 2.868 2.889 -0.539 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.495 2.568 1.869 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.188 1.536 -0.572 1.00 0.23 C ATOM 0 H ILE A 100 1.409 5.677 0.055 1.00 0.17 H new ATOM 0 HA ILE A 100 0.857 3.108 1.395 1.00 0.18 H new ATOM 0 HB ILE A 100 3.546 4.417 0.799 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.352 3.560 -1.226 1.00 0.21 H new ATOM 0 HG13 ILE A 100 3.889 2.780 -0.906 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.491 2.262 1.549 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.561 3.059 2.840 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.854 1.690 1.949 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.202 1.146 -1.590 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.716 0.847 0.088 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.156 1.639 -0.237 1.00 0.23 H new ATOM 934 N SER A 101 1.593 3.940 3.687 1.00 0.20 N ATOM 935 CA SER A 101 1.790 4.451 5.030 1.00 0.20 C ATOM 936 C SER A 101 3.279 4.671 5.312 1.00 0.20 C ATOM 937 O SER A 101 4.135 3.935 4.812 1.00 0.23 O ATOM 938 CB SER A 101 1.217 3.447 6.027 1.00 0.22 C ATOM 939 OG SER A 101 1.586 3.774 7.351 1.00 0.89 O ATOM 0 H SER A 101 1.454 2.930 3.647 1.00 0.20 H new ATOM 0 HA SER A 101 1.280 5.409 5.128 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.130 3.428 5.944 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.573 2.446 5.784 1.00 0.22 H new ATOM 0 HG SER A 101 1.085 3.212 7.978 1.00 0.89 H new ATOM 945 N GLU A 102 3.577 5.684 6.131 1.00 0.20 N ATOM 946 CA GLU A 102 4.951 6.005 6.512 1.00 0.21 C ATOM 947 C GLU A 102 5.554 4.882 7.335 1.00 0.24 C ATOM 948 O GLU A 102 6.773 4.774 7.467 1.00 0.29 O ATOM 949 CB GLU A 102 4.993 7.327 7.295 1.00 0.25 C ATOM 950 CG GLU A 102 4.430 7.254 8.715 1.00 0.31 C ATOM 951 CD GLU A 102 5.477 6.991 9.786 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.080 7.954 10.293 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.722 5.808 10.100 1.00 1.71 O ATOM 0 H GLU A 102 2.876 6.299 6.545 1.00 0.20 H new ATOM 0 HA GLU A 102 5.543 6.119 5.604 1.00 0.21 H new ATOM 0 HB2 GLU A 102 6.027 7.669 7.347 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.436 8.080 6.738 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.922 8.191 8.941 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.678 6.466 8.756 1.00 0.31 H new ATOM 960 N GLU A 103 4.681 4.045 7.874 1.00 0.27 N ATOM 961 CA GLU A 103 5.081 2.938 8.723 1.00 0.34 C ATOM 962 C GLU A 103 5.828 1.887 7.910 1.00 0.31 C ATOM 963 O GLU A 103 6.556 1.056 8.454 1.00 0.41 O ATOM 964 CB GLU A 103 3.842 2.319 9.357 1.00 0.43 C ATOM 965 CG GLU A 103 2.898 3.333 9.975 1.00 0.67 C ATOM 966 CD GLU A 103 1.599 2.710 10.436 1.00 1.15 C ATOM 967 OE1 GLU A 103 0.738 2.414 9.579 1.00 1.42 O ATOM 968 OE2 GLU A 103 1.428 2.516 11.660 1.00 1.48 O ATOM 0 H GLU A 103 3.673 4.116 7.734 1.00 0.27 H new ATOM 0 HA GLU A 103 5.746 3.308 9.503 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.303 1.750 8.599 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.154 1.611 10.125 1.00 0.43 H new ATOM 0 HG2 GLU A 103 3.388 3.812 10.823 1.00 0.67 H new ATOM 0 HG3 GLU A 103 2.684 4.116 9.247 1.00 0.67 H new ATOM 975 N LEU A 104 5.647 1.938 6.599 1.00 0.23 N ATOM 976 CA LEU A 104 6.234 0.953 5.708 1.00 0.25 C ATOM 977 C LEU A 104 7.365 1.548 4.887 1.00 0.27 C ATOM 978 O LEU A 104 7.841 0.932 3.934 1.00 0.29 O ATOM 979 CB LEU A 104 5.161 0.382 4.790 1.00 0.27 C ATOM 980 CG LEU A 104 4.076 -0.413 5.502 1.00 0.28 C ATOM 981 CD1 LEU A 104 2.958 -0.755 4.538 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.665 -1.674 6.102 1.00 0.30 C ATOM 0 H LEU A 104 5.095 2.655 6.128 1.00 0.23 H new ATOM 0 HA LEU A 104 6.653 0.153 6.318 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.694 1.202 4.245 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.638 -0.261 4.051 1.00 0.27 H new ATOM 0 HG LEU A 104 3.663 0.195 6.307 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.189 -1.324 5.060 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.525 0.164 4.143 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.355 -1.351 3.717 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.881 -2.236 6.609 1.00 0.30 H new ATOM 0 HD22 LEU A 104 5.096 -2.287 5.310 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.442 -1.407 6.819 1.00 0.30 H new ATOM 994 N LEU A 105 7.797 2.748 5.248 1.00 0.43 N ATOM 995 CA LEU A 105 8.933 3.354 4.597 1.00 0.54 C ATOM 996 C LEU A 105 10.184 2.551 4.862 1.00 0.46 C ATOM 997 O LEU A 105 10.363 1.968 5.932 1.00 0.53 O ATOM 998 CB LEU A 105 9.114 4.791 5.062 1.00 0.88 C ATOM 999 CG LEU A 105 8.171 5.791 4.407 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.477 7.198 4.881 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.308 5.699 2.902 1.00 1.09 C ATOM 0 H LEU A 105 7.376 3.313 5.985 1.00 0.43 H new ATOM 0 HA LEU A 105 8.749 3.362 3.523 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.972 4.831 6.142 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.141 5.097 4.864 1.00 0.88 H new ATOM 0 HG LEU A 105 7.145 5.554 4.690 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.794 7.900 4.403 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.355 7.252 5.963 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.503 7.455 4.619 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.634 6.414 2.431 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.335 5.926 2.616 1.00 1.09 H new ATOM 0 HD23 LEU A 105 8.054 4.691 2.574 1.00 1.09 H new ATOM 1013 N MET A 106 11.035 2.516 3.862 1.00 0.41 N ATOM 1014 CA MET A 106 12.257 1.750 3.918 1.00 0.45 C ATOM 1015 C MET A 106 13.236 2.317 4.942 1.00 0.92 C ATOM 1016 O MET A 106 13.244 3.515 5.238 1.00 1.28 O ATOM 1017 CB MET A 106 12.905 1.684 2.531 1.00 0.27 C ATOM 1018 CG MET A 106 14.297 1.070 2.540 1.00 0.30 C ATOM 1019 SD MET A 106 14.327 -0.517 3.401 1.00 1.05 S ATOM 1020 CE MET A 106 14.753 -1.605 2.066 1.00 0.50 C ATOM 0 H MET A 106 10.898 3.019 2.985 1.00 0.41 H new ATOM 0 HA MET A 106 12.001 0.740 4.239 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.265 1.103 1.867 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.963 2.691 2.118 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.640 0.933 1.515 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.994 1.757 3.020 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.080 -2.462 2.067 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.661 -1.073 1.119 1.00 0.50 H new ATOM 0 HE3 MET A 106 15.780 -1.949 2.191 1.00 0.50 H new ATOM 1092 N TYR A 111 20.556 1.809 2.600 1.00 0.95 N ATOM 1093 CA TYR A 111 19.984 0.800 1.727 1.00 0.70 C ATOM 1094 C TYR A 111 19.610 1.460 0.419 1.00 0.60 C ATOM 1095 O TYR A 111 18.761 2.352 0.374 1.00 0.80 O ATOM 1096 CB TYR A 111 18.736 0.113 2.302 1.00 0.70 C ATOM 1097 CG TYR A 111 18.144 -0.899 1.334 1.00 0.76 C ATOM 1098 CD1 TYR A 111 17.266 -0.480 0.346 1.00 0.89 C ATOM 1099 CD2 TYR A 111 18.480 -2.254 1.380 1.00 0.94 C ATOM 1100 CE1 TYR A 111 16.738 -1.365 -0.572 1.00 1.12 C ATOM 1101 CE2 TYR A 111 17.948 -3.148 0.464 1.00 1.18 C ATOM 1102 CZ TYR A 111 17.082 -2.695 -0.512 1.00 1.23 C ATOM 1103 OH TYR A 111 16.570 -3.568 -1.446 1.00 1.57 O ATOM 0 HA TYR A 111 20.739 0.024 1.602 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.995 -0.387 3.235 1.00 0.70 H new ATOM 0 HB3 TYR A 111 17.986 0.867 2.542 1.00 0.70 H new ATOM 0 HD1 TYR A 111 16.989 0.563 0.294 1.00 0.89 H new ATOM 0 HD2 TYR A 111 19.162 -2.609 2.138 1.00 0.94 H new ATOM 0 HE1 TYR A 111 16.058 -1.015 -1.334 1.00 1.12 H new ATOM 0 HE2 TYR A 111 18.210 -4.195 0.513 1.00 1.18 H new ATOM 0 HH TYR A 111 16.822 -4.485 -1.209 1.00 1.57 H new ATOM 1113 N GLN A 112 20.253 1.029 -0.635 1.00 0.53 N ATOM 1114 CA GLN A 112 19.945 1.518 -1.955 1.00 0.55 C ATOM 1115 C GLN A 112 19.024 0.546 -2.660 1.00 0.45 C ATOM 1116 O GLN A 112 19.165 -0.672 -2.515 1.00 0.47 O ATOM 1117 CB GLN A 112 21.232 1.725 -2.732 1.00 0.70 C ATOM 1118 CG GLN A 112 22.130 2.770 -2.106 1.00 1.30 C ATOM 1119 CD GLN A 112 23.394 3.028 -2.896 1.00 1.42 C ATOM 1120 OE1 GLN A 112 23.901 2.152 -3.598 1.00 1.64 O ATOM 1121 NE2 GLN A 112 23.921 4.235 -2.771 1.00 2.05 N ATOM 0 H GLN A 112 20.999 0.335 -0.604 1.00 0.53 H new ATOM 0 HA GLN A 112 19.431 2.477 -1.885 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.770 0.779 -2.794 1.00 0.70 H new ATOM 0 HB3 GLN A 112 20.992 2.023 -3.753 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.575 3.703 -2.008 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.399 2.451 -1.099 1.00 1.30 H new ATOM 0 HE21 GLN A 112 23.468 4.931 -2.179 1.00 2.05 H new ATOM 0 HE22 GLN A 112 24.781 4.470 -3.267 1.00 2.05 H new ATOM 1130 N LEU A 113 18.079 1.099 -3.404 1.00 0.40 N ATOM 1131 CA LEU A 113 17.038 0.331 -4.065 1.00 0.33 C ATOM 1132 C LEU A 113 17.632 -0.780 -4.922 1.00 0.36 C ATOM 1133 O LEU A 113 18.287 -0.518 -5.932 1.00 0.43 O ATOM 1134 CB LEU A 113 16.191 1.273 -4.915 1.00 0.32 C ATOM 1135 CG LEU A 113 15.077 0.614 -5.721 1.00 0.30 C ATOM 1136 CD1 LEU A 113 13.978 0.123 -4.795 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.526 1.586 -6.746 1.00 0.35 C ATOM 0 H LEU A 113 18.013 2.104 -3.567 1.00 0.40 H new ATOM 0 HA LEU A 113 16.411 -0.143 -3.309 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.746 2.023 -4.260 1.00 0.32 H new ATOM 0 HB3 LEU A 113 16.849 1.802 -5.604 1.00 0.32 H new ATOM 0 HG LEU A 113 15.486 -0.246 -6.251 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.189 -0.345 -5.383 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.390 -0.605 -4.095 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.566 0.966 -4.241 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.731 1.103 -7.315 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.127 2.463 -6.237 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.323 1.891 -7.424 1.00 0.35 H new ATOM 1149 N LYS A 114 17.404 -2.016 -4.500 1.00 0.40 N ATOM 1150 CA LYS A 114 17.956 -3.170 -5.186 1.00 0.47 C ATOM 1151 C LYS A 114 16.911 -3.807 -6.079 1.00 0.37 C ATOM 1152 O LYS A 114 15.823 -4.168 -5.629 1.00 0.33 O ATOM 1153 CB LYS A 114 18.489 -4.186 -4.184 1.00 0.63 C ATOM 1154 CG LYS A 114 19.268 -5.329 -4.801 1.00 0.90 C ATOM 1155 CD LYS A 114 20.443 -4.828 -5.628 1.00 1.14 C ATOM 1156 CE LYS A 114 21.517 -4.195 -4.759 1.00 1.51 C ATOM 1157 NZ LYS A 114 22.617 -3.609 -5.570 1.00 2.09 N ATOM 0 H LYS A 114 16.838 -2.243 -3.682 1.00 0.40 H new ATOM 0 HA LYS A 114 18.785 -2.833 -5.809 1.00 0.47 H new ATOM 0 HB2 LYS A 114 19.130 -3.670 -3.469 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.651 -4.597 -3.621 1.00 0.63 H new ATOM 0 HG2 LYS A 114 19.632 -5.988 -4.013 1.00 0.90 H new ATOM 0 HG3 LYS A 114 18.606 -5.922 -5.432 1.00 0.90 H new ATOM 0 HD2 LYS A 114 20.872 -5.658 -6.189 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.089 -4.099 -6.357 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.070 -3.418 -4.139 1.00 1.51 H new ATOM 0 HE3 LYS A 114 21.926 -4.946 -4.083 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 23.328 -3.188 -4.938 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 23.061 -4.355 -6.143 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 22.232 -2.874 -6.197 1.00 2.09 H new ATOM 1171 N ASP A 115 17.268 -3.965 -7.342 1.00 0.40 N ATOM 1172 CA ASP A 115 16.361 -4.508 -8.352 1.00 0.41 C ATOM 1173 C ASP A 115 16.028 -5.963 -8.070 1.00 0.38 C ATOM 1174 O ASP A 115 15.081 -6.514 -8.627 1.00 0.42 O ATOM 1175 CB ASP A 115 16.973 -4.377 -9.744 1.00 0.53 C ATOM 1176 CG ASP A 115 16.979 -2.948 -10.242 1.00 1.12 C ATOM 1177 OD1 ASP A 115 17.883 -2.183 -9.845 1.00 1.88 O ATOM 1178 OD2 ASP A 115 16.082 -2.579 -11.029 1.00 1.11 O ATOM 0 H ASP A 115 18.192 -3.723 -7.701 1.00 0.40 H new ATOM 0 HA ASP A 115 15.437 -3.931 -8.311 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.995 -4.756 -9.725 1.00 0.53 H new ATOM 0 HB3 ASP A 115 16.415 -5.000 -10.443 1.00 0.53 H new ATOM 1183 N SER A 116 16.809 -6.571 -7.195 1.00 0.38 N ATOM 1184 CA SER A 116 16.599 -7.957 -6.815 1.00 0.44 C ATOM 1185 C SER A 116 15.562 -8.054 -5.695 1.00 0.40 C ATOM 1186 O SER A 116 15.034 -9.131 -5.413 1.00 0.51 O ATOM 1187 CB SER A 116 17.929 -8.585 -6.379 1.00 0.54 C ATOM 1188 OG SER A 116 17.752 -9.906 -5.889 1.00 0.92 O ATOM 0 H SER A 116 17.600 -6.123 -6.731 1.00 0.38 H new ATOM 0 HA SER A 116 16.219 -8.506 -7.676 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.618 -8.600 -7.223 1.00 0.54 H new ATOM 0 HB3 SER A 116 18.386 -7.968 -5.605 1.00 0.54 H new ATOM 0 HG SER A 116 18.620 -10.275 -5.622 1.00 0.92 H new ATOM 1194 N ASP A 117 15.265 -6.924 -5.062 1.00 0.28 N ATOM 1195 CA ASP A 117 14.302 -6.899 -3.969 1.00 0.28 C ATOM 1196 C ASP A 117 13.006 -6.229 -4.405 1.00 0.22 C ATOM 1197 O ASP A 117 11.977 -6.351 -3.742 1.00 0.24 O ATOM 1198 CB ASP A 117 14.880 -6.173 -2.752 1.00 0.34 C ATOM 1199 CG ASP A 117 16.006 -6.938 -2.078 1.00 1.08 C ATOM 1200 OD1 ASP A 117 16.019 -8.187 -2.146 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.889 -6.294 -1.473 1.00 1.04 O ATOM 0 H ASP A 117 15.676 -6.018 -5.286 1.00 0.28 H new ATOM 0 HA ASP A 117 14.086 -7.931 -3.691 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.248 -5.195 -3.062 1.00 0.34 H new ATOM 0 HB3 ASP A 117 14.083 -5.999 -2.028 1.00 0.34 H new ATOM 1206 N ILE A 118 13.063 -5.517 -5.521 1.00 0.23 N ATOM 1207 CA ILE A 118 11.897 -4.832 -6.056 1.00 0.22 C ATOM 1208 C ILE A 118 10.853 -5.823 -6.543 1.00 0.26 C ATOM 1209 O ILE A 118 11.128 -6.662 -7.400 1.00 0.34 O ATOM 1210 CB ILE A 118 12.282 -3.904 -7.223 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.260 -2.838 -6.745 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.043 -3.257 -7.823 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.933 -2.092 -7.874 1.00 0.32 C ATOM 0 H ILE A 118 13.910 -5.399 -6.076 1.00 0.23 H new ATOM 0 HA ILE A 118 11.480 -4.237 -5.244 1.00 0.22 H new ATOM 0 HB ILE A 118 12.765 -4.501 -7.997 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.729 -2.125 -6.114 1.00 0.26 H new ATOM 0 HG13 ILE A 118 14.023 -3.307 -6.124 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.335 -2.605 -8.646 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.372 -4.031 -8.194 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.533 -2.670 -7.059 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.616 -1.348 -7.463 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.491 -2.795 -8.492 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.178 -1.594 -8.482 1.00 0.32 H new ATOM 1225 N VAL A 119 9.663 -5.728 -5.979 1.00 0.24 N ATOM 1226 CA VAL A 119 8.547 -6.521 -6.439 1.00 0.31 C ATOM 1227 C VAL A 119 7.692 -5.692 -7.393 1.00 0.27 C ATOM 1228 O VAL A 119 7.144 -6.207 -8.370 1.00 0.31 O ATOM 1229 CB VAL A 119 7.684 -7.021 -5.262 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.633 -7.995 -5.760 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.551 -7.662 -4.187 1.00 0.38 C ATOM 0 H VAL A 119 9.448 -5.106 -5.199 1.00 0.24 H new ATOM 0 HA VAL A 119 8.942 -7.395 -6.958 1.00 0.31 H new ATOM 0 HB VAL A 119 7.179 -6.165 -4.816 1.00 0.36 H new ATOM 0 HG11 VAL A 119 6.030 -8.341 -4.920 1.00 0.47 H new ATOM 0 HG12 VAL A 119 5.991 -7.497 -6.487 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.122 -8.848 -6.231 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.920 -8.006 -3.368 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.089 -8.509 -4.611 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.265 -6.930 -3.811 1.00 0.38 H new ATOM 1241 N ASN A 120 7.602 -4.395 -7.111 1.00 0.25 N ATOM 1242 CA ASN A 120 6.818 -3.480 -7.940 1.00 0.24 C ATOM 1243 C ASN A 120 7.241 -2.027 -7.699 1.00 0.23 C ATOM 1244 O ASN A 120 7.925 -1.721 -6.722 1.00 0.26 O ATOM 1245 CB ASN A 120 5.326 -3.675 -7.641 1.00 0.31 C ATOM 1246 CG ASN A 120 4.412 -2.832 -8.504 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.075 -3.208 -9.623 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.982 -1.699 -7.975 1.00 0.36 N ATOM 0 H ASN A 120 8.062 -3.953 -6.315 1.00 0.25 H new ATOM 0 HA ASN A 120 7.002 -3.704 -8.991 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.072 -4.726 -7.779 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.141 -3.437 -6.593 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.345 -1.100 -8.501 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.287 -1.424 -7.041 1.00 0.36 H new ATOM 1255 N GLU A 121 6.828 -1.144 -8.594 1.00 0.24 N ATOM 1256 CA GLU A 121 7.163 0.275 -8.513 1.00 0.25 C ATOM 1257 C GLU A 121 5.899 1.113 -8.414 1.00 0.25 C ATOM 1258 O GLU A 121 4.924 0.868 -9.122 1.00 0.32 O ATOM 1259 CB GLU A 121 7.974 0.705 -9.740 1.00 0.31 C ATOM 1260 CG GLU A 121 8.023 2.215 -9.963 1.00 0.35 C ATOM 1261 CD GLU A 121 8.263 2.579 -11.412 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.437 2.615 -11.832 1.00 1.24 O ATOM 1263 OE2 GLU A 121 7.281 2.840 -12.140 1.00 1.17 O ATOM 0 H GLU A 121 6.251 -1.388 -9.399 1.00 0.24 H new ATOM 0 HA GLU A 121 7.765 0.433 -7.618 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.993 0.331 -9.637 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.549 0.232 -10.626 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.084 2.659 -9.631 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.814 2.644 -9.348 1.00 0.35 H new ATOM 1270 N ILE A 122 5.925 2.099 -7.541 1.00 0.21 N ATOM 1271 CA ILE A 122 4.806 3.005 -7.381 1.00 0.23 C ATOM 1272 C ILE A 122 5.288 4.438 -7.547 1.00 0.26 C ATOM 1273 O ILE A 122 6.452 4.669 -7.882 1.00 0.25 O ATOM 1274 CB ILE A 122 4.099 2.817 -6.027 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.077 3.026 -4.869 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.468 1.433 -5.956 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.493 2.695 -3.517 1.00 0.31 C ATOM 0 H ILE A 122 6.716 2.294 -6.927 1.00 0.21 H new ATOM 0 HA ILE A 122 4.070 2.778 -8.152 1.00 0.23 H new ATOM 0 HB ILE A 122 3.311 3.565 -5.939 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.960 2.409 -5.035 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.409 4.064 -4.868 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.970 1.309 -4.994 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.739 1.324 -6.759 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.243 0.674 -6.064 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.243 2.867 -2.745 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.627 3.330 -3.329 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.187 1.649 -3.499 1.00 0.31 H new ATOM 1289 N LYS A 123 4.404 5.395 -7.357 1.00 0.30 N ATOM 1290 CA LYS A 123 4.744 6.783 -7.600 1.00 0.34 C ATOM 1291 C LYS A 123 5.690 7.306 -6.535 1.00 0.36 C ATOM 1292 O LYS A 123 5.330 7.430 -5.367 1.00 0.42 O ATOM 1293 CB LYS A 123 3.476 7.624 -7.660 1.00 0.39 C ATOM 1294 CG LYS A 123 3.639 8.908 -8.440 1.00 0.48 C ATOM 1295 CD LYS A 123 2.295 9.500 -8.814 1.00 0.75 C ATOM 1296 CE LYS A 123 1.503 8.555 -9.703 1.00 1.35 C ATOM 1297 NZ LYS A 123 0.183 9.119 -10.089 1.00 2.15 N ATOM 0 H LYS A 123 3.448 5.239 -7.036 1.00 0.30 H new ATOM 0 HA LYS A 123 5.257 6.853 -8.559 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.679 7.033 -8.111 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.160 7.863 -6.645 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.203 9.627 -7.846 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.218 8.716 -9.343 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.726 9.715 -7.910 1.00 0.75 H new ATOM 0 HD3 LYS A 123 2.444 10.449 -9.330 1.00 0.75 H new ATOM 0 HE2 LYS A 123 2.079 8.336 -10.602 1.00 1.35 H new ATOM 0 HE3 LYS A 123 1.354 7.609 -9.182 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 -0.263 8.505 -10.800 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 -0.428 9.177 -9.250 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 0.315 10.070 -10.488 1.00 2.15 H new ATOM 1311 N GLY A 124 6.906 7.600 -6.961 1.00 0.37 N ATOM 1312 CA GLY A 124 7.917 8.113 -6.067 1.00 0.42 C ATOM 1313 C GLY A 124 8.639 7.026 -5.299 1.00 0.38 C ATOM 1314 O GLY A 124 9.843 7.129 -5.044 1.00 0.42 O ATOM 0 H GLY A 124 7.214 7.490 -7.927 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.644 8.687 -6.642 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.453 8.802 -5.361 1.00 0.42 H new ATOM 1318 N GLY A 125 7.911 5.989 -4.926 1.00 0.34 N ATOM 1319 CA GLY A 125 8.492 4.910 -4.161 1.00 0.31 C ATOM 1320 C GLY A 125 8.495 3.591 -4.901 1.00 0.25 C ATOM 1321 O GLY A 125 7.940 3.468 -5.989 1.00 0.29 O ATOM 0 H GLY A 125 6.921 5.875 -5.141 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.516 5.172 -3.894 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.939 4.795 -3.229 1.00 0.31 H new ATOM 1325 N TYR A 126 9.139 2.605 -4.311 1.00 0.19 N ATOM 1326 CA TYR A 126 9.111 1.252 -4.822 1.00 0.16 C ATOM 1327 C TYR A 126 8.631 0.320 -3.733 1.00 0.16 C ATOM 1328 O TYR A 126 9.232 0.261 -2.664 1.00 0.17 O ATOM 1329 CB TYR A 126 10.503 0.816 -5.283 1.00 0.15 C ATOM 1330 CG TYR A 126 10.829 1.176 -6.710 1.00 0.18 C ATOM 1331 CD1 TYR A 126 10.966 2.498 -7.102 1.00 0.24 C ATOM 1332 CD2 TYR A 126 10.980 0.188 -7.672 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.247 2.824 -8.410 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.268 0.506 -8.983 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.402 1.827 -9.346 1.00 0.30 C ATOM 1336 OH TYR A 126 11.674 2.158 -10.652 1.00 0.38 O ATOM 0 H TYR A 126 9.696 2.720 -3.464 1.00 0.19 H new ATOM 0 HA TYR A 126 8.435 1.215 -5.676 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.247 1.269 -4.628 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.589 -0.264 -5.165 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.851 3.284 -6.371 1.00 0.24 H new ATOM 0 HD2 TYR A 126 10.870 -0.849 -7.389 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.346 3.859 -8.701 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.387 -0.275 -9.719 1.00 0.27 H new ATOM 0 HH TYR A 126 10.862 2.057 -11.191 1.00 0.38 H new ATOM 1346 N VAL A 127 7.551 -0.392 -3.985 1.00 0.18 N ATOM 1347 CA VAL A 127 7.114 -1.398 -3.043 1.00 0.20 C ATOM 1348 C VAL A 127 8.002 -2.623 -3.217 1.00 0.17 C ATOM 1349 O VAL A 127 7.972 -3.313 -4.241 1.00 0.20 O ATOM 1350 CB VAL A 127 5.609 -1.737 -3.192 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.242 -2.078 -4.627 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.219 -2.865 -2.250 1.00 0.60 C ATOM 0 H VAL A 127 6.970 -0.295 -4.818 1.00 0.18 H new ATOM 0 HA VAL A 127 7.215 -1.013 -2.028 1.00 0.20 H new ATOM 0 HB VAL A 127 5.045 -0.845 -2.919 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.178 -2.309 -4.685 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.465 -1.228 -5.271 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.819 -2.942 -4.955 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.159 -3.089 -2.369 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.806 -3.753 -2.484 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.412 -2.563 -1.221 1.00 0.60 H new ATOM 1362 N ILE A 128 8.816 -2.867 -2.212 1.00 0.14 N ATOM 1363 CA ILE A 128 9.928 -3.784 -2.339 1.00 0.12 C ATOM 1364 C ILE A 128 9.947 -4.796 -1.212 1.00 0.13 C ATOM 1365 O ILE A 128 9.512 -4.510 -0.097 1.00 0.16 O ATOM 1366 CB ILE A 128 11.268 -3.014 -2.346 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.358 -2.081 -1.130 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.415 -2.223 -3.635 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.691 -1.378 -0.991 1.00 0.19 C ATOM 0 H ILE A 128 8.727 -2.439 -1.291 1.00 0.14 H new ATOM 0 HA ILE A 128 9.801 -4.314 -3.283 1.00 0.12 H new ATOM 0 HB ILE A 128 12.083 -3.735 -2.287 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.569 -1.332 -1.201 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.168 -2.660 -0.226 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.363 -1.686 -3.626 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.392 -2.905 -4.485 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.595 -1.510 -3.720 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.675 -0.738 -0.109 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.484 -2.119 -0.887 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.876 -0.770 -1.877 1.00 0.19 H new ATOM 1381 N LYS A 129 10.455 -5.975 -1.504 1.00 0.15 N ATOM 1382 CA LYS A 129 10.635 -6.988 -0.488 1.00 0.18 C ATOM 1383 C LYS A 129 12.116 -7.269 -0.316 1.00 0.19 C ATOM 1384 O LYS A 129 12.731 -7.964 -1.125 1.00 0.20 O ATOM 1385 CB LYS A 129 9.883 -8.267 -0.855 1.00 0.22 C ATOM 1386 CG LYS A 129 9.997 -9.356 0.197 1.00 0.28 C ATOM 1387 CD LYS A 129 9.080 -10.525 -0.106 1.00 0.40 C ATOM 1388 CE LYS A 129 9.218 -11.613 0.943 1.00 0.51 C ATOM 1389 NZ LYS A 129 8.269 -12.733 0.713 1.00 0.76 N ATOM 0 H LYS A 129 10.751 -6.255 -2.439 1.00 0.15 H new ATOM 0 HA LYS A 129 10.226 -6.623 0.454 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.830 -8.029 -1.009 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.266 -8.646 -1.803 1.00 0.22 H new ATOM 0 HG2 LYS A 129 11.028 -9.706 0.249 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.751 -8.944 1.176 1.00 0.28 H new ATOM 0 HD2 LYS A 129 8.047 -10.180 -0.143 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.316 -10.931 -1.089 1.00 0.40 H new ATOM 0 HE2 LYS A 129 10.239 -11.996 0.936 1.00 0.51 H new ATOM 0 HE3 LYS A 129 9.044 -11.188 1.931 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 8.465 -13.498 1.389 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 7.294 -12.395 0.845 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.383 -13.091 -0.257 1.00 0.76 H new ATOM 1403 N VAL A 130 12.678 -6.740 0.752 1.00 0.21 N ATOM 1404 CA VAL A 130 14.095 -6.846 0.999 1.00 0.24 C ATOM 1405 C VAL A 130 14.335 -7.594 2.299 1.00 0.29 C ATOM 1406 O VAL A 130 13.610 -7.397 3.279 1.00 0.29 O ATOM 1407 CB VAL A 130 14.768 -5.446 1.045 1.00 0.24 C ATOM 1408 CG1 VAL A 130 13.907 -4.421 0.334 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.055 -4.978 2.464 1.00 0.26 C ATOM 0 H VAL A 130 12.164 -6.227 1.469 1.00 0.21 H new ATOM 0 HA VAL A 130 14.546 -7.401 0.176 1.00 0.24 H new ATOM 0 HB VAL A 130 15.726 -5.544 0.534 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.393 -3.446 0.375 1.00 0.26 H new ATOM 0 HG12 VAL A 130 13.774 -4.716 -0.707 1.00 0.26 H new ATOM 0 HG13 VAL A 130 12.934 -4.362 0.821 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.525 -3.995 2.435 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.121 -4.917 3.023 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.725 -5.686 2.952 1.00 0.26 H new ATOM 1419 N ASP A 131 15.313 -8.491 2.279 1.00 0.36 N ATOM 1420 CA ASP A 131 15.740 -9.205 3.478 1.00 0.44 C ATOM 1421 C ASP A 131 14.578 -9.993 4.103 1.00 0.43 C ATOM 1422 O ASP A 131 14.566 -10.280 5.300 1.00 0.50 O ATOM 1423 CB ASP A 131 16.339 -8.199 4.474 1.00 0.48 C ATOM 1424 CG ASP A 131 17.071 -8.860 5.628 1.00 0.59 C ATOM 1425 OD1 ASP A 131 18.143 -9.462 5.396 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.595 -8.757 6.778 1.00 0.59 O ATOM 0 H ASP A 131 15.830 -8.744 1.437 1.00 0.36 H new ATOM 0 HA ASP A 131 16.503 -9.935 3.208 1.00 0.44 H new ATOM 0 HB2 ASP A 131 17.028 -7.541 3.945 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.541 -7.572 4.871 1.00 0.48 H new ATOM 1431 N GLY A 132 13.598 -10.340 3.276 1.00 0.39 N ATOM 1432 CA GLY A 132 12.463 -11.118 3.739 1.00 0.40 C ATOM 1433 C GLY A 132 11.347 -10.254 4.300 1.00 0.40 C ATOM 1434 O GLY A 132 10.417 -10.758 4.929 1.00 0.59 O ATOM 0 H GLY A 132 13.570 -10.094 2.286 1.00 0.39 H new ATOM 0 HA2 GLY A 132 12.075 -11.713 2.912 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.796 -11.817 4.506 1.00 0.40 H new ATOM 1438 N LYS A 133 11.442 -8.951 4.076 1.00 0.30 N ATOM 1439 CA LYS A 133 10.452 -8.009 4.579 1.00 0.29 C ATOM 1440 C LYS A 133 10.028 -7.045 3.492 1.00 0.26 C ATOM 1441 O LYS A 133 10.700 -6.905 2.482 1.00 0.33 O ATOM 1442 CB LYS A 133 11.020 -7.234 5.764 1.00 0.33 C ATOM 1443 CG LYS A 133 11.109 -8.054 7.035 1.00 0.40 C ATOM 1444 CD LYS A 133 12.054 -7.422 8.039 1.00 0.80 C ATOM 1445 CE LYS A 133 13.496 -7.471 7.556 1.00 0.62 C ATOM 1446 NZ LYS A 133 14.072 -8.838 7.652 1.00 1.15 N ATOM 0 H LYS A 133 12.199 -8.520 3.546 1.00 0.30 H new ATOM 0 HA LYS A 133 9.578 -8.573 4.904 1.00 0.29 H new ATOM 0 HB2 LYS A 133 12.014 -6.869 5.506 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.397 -6.359 5.948 1.00 0.33 H new ATOM 0 HG2 LYS A 133 10.117 -8.150 7.477 1.00 0.40 H new ATOM 0 HG3 LYS A 133 11.450 -9.061 6.796 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.762 -6.386 8.212 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.971 -7.941 8.994 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.543 -7.130 6.522 1.00 0.62 H new ATOM 0 HE3 LYS A 133 14.099 -6.782 8.147 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 15.110 -8.776 7.680 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.729 -9.299 8.519 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.780 -9.396 6.825 1.00 1.15 H new ATOM 1460 N TYR A 134 8.917 -6.378 3.712 1.00 0.25 N ATOM 1461 CA TYR A 134 8.360 -5.484 2.712 1.00 0.23 C ATOM 1462 C TYR A 134 8.460 -4.035 3.140 1.00 0.22 C ATOM 1463 O TYR A 134 8.165 -3.687 4.286 1.00 0.26 O ATOM 1464 CB TYR A 134 6.911 -5.834 2.439 1.00 0.28 C ATOM 1465 CG TYR A 134 6.667 -6.312 1.034 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.483 -5.417 -0.009 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.601 -7.660 0.759 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.234 -5.862 -1.292 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.346 -8.115 -0.521 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.163 -7.212 -1.537 1.00 0.91 C ATOM 1471 OH TYR A 134 5.885 -7.664 -2.800 1.00 1.22 O ATOM 0 H TYR A 134 8.378 -6.436 4.576 1.00 0.25 H new ATOM 0 HA TYR A 134 8.944 -5.611 1.800 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.594 -6.607 3.138 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.291 -4.958 2.630 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.535 -4.356 0.185 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.751 -8.373 1.556 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.096 -5.155 -2.096 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.291 -9.175 -0.720 1.00 0.86 H new ATOM 0 HH TYR A 134 5.873 -8.644 -2.801 1.00 1.22 H new ATOM 1481 N TYR A 135 8.874 -3.202 2.204 1.00 0.19 N ATOM 1482 CA TYR A 135 9.015 -1.779 2.438 1.00 0.20 C ATOM 1483 C TYR A 135 8.592 -1.016 1.209 1.00 0.19 C ATOM 1484 O TYR A 135 8.326 -1.599 0.158 1.00 0.21 O ATOM 1485 CB TYR A 135 10.471 -1.411 2.738 1.00 0.19 C ATOM 1486 CG TYR A 135 11.108 -2.211 3.824 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.039 -1.800 5.141 1.00 0.28 C ATOM 1488 CD2 TYR A 135 11.791 -3.373 3.527 1.00 0.22 C ATOM 1489 CE1 TYR A 135 11.634 -2.532 6.137 1.00 0.32 C ATOM 1490 CE2 TYR A 135 12.386 -4.111 4.504 1.00 0.26 C ATOM 1491 CZ TYR A 135 12.309 -3.691 5.819 1.00 0.31 C ATOM 1492 OH TYR A 135 12.901 -4.426 6.817 1.00 0.37 O ATOM 0 H TYR A 135 9.122 -3.494 1.259 1.00 0.19 H new ATOM 0 HA TYR A 135 8.389 -1.521 3.292 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.056 -1.531 1.826 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.516 -0.356 3.009 1.00 0.19 H new ATOM 0 HD1 TYR A 135 10.510 -0.892 5.389 1.00 0.28 H new ATOM 0 HD2 TYR A 135 11.855 -3.703 2.501 1.00 0.22 H new ATOM 0 HE1 TYR A 135 11.574 -2.202 7.164 1.00 0.32 H new ATOM 0 HE2 TYR A 135 12.915 -5.019 4.254 1.00 0.26 H new ATOM 0 HH TYR A 135 12.398 -4.311 7.650 1.00 0.37 H new ATOM 1502 N VAL A 136 8.530 0.284 1.351 1.00 0.21 N ATOM 1503 CA VAL A 136 8.335 1.158 0.226 1.00 0.22 C ATOM 1504 C VAL A 136 9.490 2.139 0.149 1.00 0.23 C ATOM 1505 O VAL A 136 9.689 2.974 1.035 1.00 0.31 O ATOM 1506 CB VAL A 136 6.982 1.886 0.305 1.00 0.25 C ATOM 1507 CG1 VAL A 136 6.860 2.936 -0.792 1.00 0.26 C ATOM 1508 CG2 VAL A 136 5.857 0.865 0.199 1.00 0.26 C ATOM 0 H VAL A 136 8.613 0.763 2.247 1.00 0.21 H new ATOM 0 HA VAL A 136 8.315 0.562 -0.686 1.00 0.22 H new ATOM 0 HB VAL A 136 6.913 2.403 1.262 1.00 0.25 H new ATOM 0 HG11 VAL A 136 5.894 3.435 -0.712 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.658 3.671 -0.683 1.00 0.26 H new ATOM 0 HG13 VAL A 136 6.941 2.455 -1.767 1.00 0.26 H new ATOM 0 HG21 VAL A 136 4.896 1.376 0.254 1.00 0.26 H new ATOM 0 HG22 VAL A 136 5.933 0.337 -0.752 1.00 0.26 H new ATOM 0 HG23 VAL A 136 5.936 0.150 1.018 1.00 0.26 H new ATOM 1518 N TYR A 137 10.268 1.997 -0.907 1.00 0.20 N ATOM 1519 CA TYR A 137 11.453 2.803 -1.114 1.00 0.24 C ATOM 1520 C TYR A 137 11.086 4.150 -1.654 1.00 0.27 C ATOM 1521 O TYR A 137 10.814 4.299 -2.834 1.00 0.46 O ATOM 1522 CB TYR A 137 12.396 2.106 -2.092 1.00 0.35 C ATOM 1523 CG TYR A 137 13.477 3.017 -2.610 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.414 3.514 -1.746 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.551 3.386 -3.946 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.411 4.355 -2.174 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.548 4.231 -4.393 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.478 4.714 -3.500 1.00 0.77 C ATOM 1529 OH TYR A 137 16.485 5.548 -3.930 1.00 1.01 O ATOM 0 H TYR A 137 10.094 1.317 -1.647 1.00 0.20 H new ATOM 0 HA TYR A 137 11.952 2.930 -0.153 1.00 0.24 H new ATOM 0 HB2 TYR A 137 12.855 1.249 -1.599 1.00 0.35 H new ATOM 0 HB3 TYR A 137 11.820 1.719 -2.932 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.368 3.238 -0.703 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.820 3.008 -4.645 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.140 4.733 -1.472 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.598 4.511 -5.435 1.00 0.78 H new ATOM 0 HH TYR A 137 16.392 5.704 -4.893 1.00 1.01 H new ATOM 1539 N LEU A 138 11.100 5.134 -0.796 1.00 0.29 N ATOM 1540 CA LEU A 138 10.788 6.461 -1.223 1.00 0.38 C ATOM 1541 C LEU A 138 12.046 7.192 -1.621 1.00 0.44 C ATOM 1542 O LEU A 138 12.995 7.297 -0.846 1.00 0.50 O ATOM 1543 CB LEU A 138 10.066 7.203 -0.129 1.00 0.48 C ATOM 1544 CG LEU A 138 9.009 8.169 -0.642 1.00 0.64 C ATOM 1545 CD1 LEU A 138 7.913 7.404 -1.369 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.437 8.992 0.495 1.00 0.72 C ATOM 0 H LEU A 138 11.323 5.038 0.195 1.00 0.29 H new ATOM 0 HA LEU A 138 10.133 6.406 -2.093 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.594 6.481 0.537 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.794 7.756 0.465 1.00 0.48 H new ATOM 0 HG LEU A 138 9.475 8.857 -1.347 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.161 8.104 -1.733 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.344 6.864 -2.212 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.448 6.695 -0.684 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.683 9.676 0.106 1.00 0.72 H new ATOM 0 HD22 LEU A 138 7.981 8.329 1.230 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.236 9.563 0.968 1.00 0.72 H new ATOM 1558 N LYS A 139 12.048 7.679 -2.842 1.00 0.46 N ATOM 1559 CA LYS A 139 13.182 8.412 -3.366 1.00 0.54 C ATOM 1560 C LYS A 139 13.175 9.840 -2.832 1.00 0.64 C ATOM 1561 O LYS A 139 14.212 10.502 -2.776 1.00 0.74 O ATOM 1562 CB LYS A 139 13.145 8.417 -4.891 1.00 0.56 C ATOM 1563 CG LYS A 139 13.103 7.028 -5.507 1.00 0.50 C ATOM 1564 CD LYS A 139 13.331 7.073 -7.016 1.00 0.59 C ATOM 1565 CE LYS A 139 12.475 8.133 -7.701 1.00 1.51 C ATOM 1566 NZ LYS A 139 11.019 7.932 -7.470 1.00 2.31 N ATOM 0 H LYS A 139 11.271 7.580 -3.496 1.00 0.46 H new ATOM 0 HA LYS A 139 14.100 7.922 -3.041 1.00 0.54 H new ATOM 0 HB2 LYS A 139 12.271 8.978 -5.222 1.00 0.56 H new ATOM 0 HB3 LYS A 139 14.023 8.944 -5.265 1.00 0.56 H new ATOM 0 HG2 LYS A 139 13.864 6.401 -5.042 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.138 6.566 -5.298 1.00 0.50 H new ATOM 0 HD2 LYS A 139 14.383 7.275 -7.216 1.00 0.59 H new ATOM 0 HD3 LYS A 139 13.107 6.096 -7.444 1.00 0.59 H new ATOM 0 HE2 LYS A 139 12.764 9.119 -7.336 1.00 1.51 H new ATOM 0 HE3 LYS A 139 12.674 8.118 -8.773 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 10.494 8.757 -7.825 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 10.702 7.078 -7.972 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 10.841 7.820 -6.451 1.00 2.31 H new ATOM 1580 N ASP A 140 11.999 10.299 -2.418 1.00 0.66 N ATOM 1581 CA ASP A 140 11.824 11.643 -1.921 1.00 0.78 C ATOM 1582 C ASP A 140 11.084 11.610 -0.594 1.00 0.77 C ATOM 1583 O ASP A 140 9.924 12.016 -0.497 1.00 0.88 O ATOM 1584 CB ASP A 140 11.056 12.474 -2.941 1.00 1.00 C ATOM 1585 CG ASP A 140 11.923 12.935 -4.096 1.00 1.24 C ATOM 1586 OD1 ASP A 140 12.063 12.183 -5.084 1.00 1.58 O ATOM 1587 OD2 ASP A 140 12.477 14.049 -4.018 1.00 1.57 O ATOM 0 H ASP A 140 11.144 9.743 -2.421 1.00 0.66 H new ATOM 0 HA ASP A 140 12.801 12.100 -1.763 1.00 0.78 H new ATOM 0 HB2 ASP A 140 10.224 11.886 -3.329 1.00 1.00 H new ATOM 0 HB3 ASP A 140 10.627 13.345 -2.445 1.00 1.00 H new ATOM 1592 N ALA A 141 11.774 11.129 0.428 1.00 0.73 N ATOM 1593 CA ALA A 141 11.184 10.951 1.747 1.00 0.79 C ATOM 1594 C ALA A 141 10.863 12.288 2.395 1.00 0.97 C ATOM 1595 O ALA A 141 10.007 12.375 3.273 1.00 1.12 O ATOM 1596 CB ALA A 141 12.119 10.151 2.634 1.00 0.86 C ATOM 0 H ALA A 141 12.754 10.852 0.368 1.00 0.73 H new ATOM 0 HA ALA A 141 10.249 10.404 1.626 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.667 10.024 3.618 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.296 9.173 2.187 1.00 0.86 H new ATOM 0 HB3 ALA A 141 13.066 10.681 2.735 1.00 0.86 H new ATOM 1602 N ALA A 142 11.532 13.333 1.942 1.00 1.02 N ATOM 1603 CA ALA A 142 11.367 14.648 2.535 1.00 1.26 C ATOM 1604 C ALA A 142 10.343 15.474 1.771 1.00 1.37 C ATOM 1605 O ALA A 142 10.005 16.587 2.174 1.00 1.60 O ATOM 1606 CB ALA A 142 12.696 15.384 2.580 1.00 1.38 C ATOM 0 H ALA A 142 12.194 13.297 1.167 1.00 1.02 H new ATOM 0 HA ALA A 142 11.003 14.508 3.553 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.552 16.367 3.028 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.408 14.814 3.177 1.00 1.38 H new ATOM 0 HB3 ALA A 142 13.083 15.499 1.567 1.00 1.38 H new ATOM 1612 N HIS A 143 9.847 14.933 0.666 1.00 1.30 N ATOM 1613 CA HIS A 143 8.942 15.685 -0.186 1.00 1.50 C ATOM 1614 C HIS A 143 7.562 15.043 -0.255 1.00 1.25 C ATOM 1615 O HIS A 143 6.664 15.576 -0.904 1.00 1.33 O ATOM 1616 CB HIS A 143 9.529 15.819 -1.589 1.00 1.74 C ATOM 1617 CG HIS A 143 9.495 17.221 -2.106 1.00 2.20 C ATOM 1618 ND1 HIS A 143 8.866 17.588 -3.273 1.00 2.83 N ATOM 1619 CD2 HIS A 143 10.021 18.355 -1.593 1.00 2.47 C ATOM 1620 CE1 HIS A 143 9.005 18.887 -3.454 1.00 3.41 C ATOM 1621 NE2 HIS A 143 9.702 19.380 -2.446 1.00 3.11 N ATOM 0 H HIS A 143 10.054 13.988 0.343 1.00 1.30 H new ATOM 0 HA HIS A 143 8.824 16.675 0.254 1.00 1.50 H new ATOM 0 HB2 HIS A 143 10.560 15.466 -1.580 1.00 1.74 H new ATOM 0 HB3 HIS A 143 8.976 15.173 -2.271 1.00 1.74 H new ATOM 0 HD2 HIS A 143 10.589 18.439 -0.678 1.00 2.47 H new ATOM 0 HE1 HIS A 143 8.614 19.453 -4.287 1.00 3.41 H new ATOM 0 HE2 HIS A 143 9.960 20.359 -2.323 1.00 3.11 H new ATOM 1630 N ALA A 144 7.411 13.911 0.437 1.00 0.99 N ATOM 1631 CA ALA A 144 6.184 13.113 0.413 1.00 0.77 C ATOM 1632 C ALA A 144 5.826 12.669 -0.991 1.00 0.76 C ATOM 1633 O ALA A 144 5.344 13.443 -1.813 1.00 1.13 O ATOM 1634 CB ALA A 144 5.015 13.856 1.027 1.00 0.88 C ATOM 0 H ALA A 144 8.141 13.521 1.033 1.00 0.99 H new ATOM 0 HA ALA A 144 6.386 12.227 1.015 1.00 0.77 H new ATOM 0 HB1 ALA A 144 4.125 13.228 0.989 1.00 0.88 H new ATOM 0 HB2 ALA A 144 5.243 14.100 2.065 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.835 14.775 0.470 1.00 0.88 H new ATOM 1640 N ASP A 145 6.043 11.405 -1.251 1.00 0.59 N ATOM 1641 CA ASP A 145 5.706 10.830 -2.530 1.00 0.87 C ATOM 1642 C ASP A 145 4.683 9.731 -2.331 1.00 0.66 C ATOM 1643 O ASP A 145 5.000 8.569 -2.490 1.00 0.75 O ATOM 1644 CB ASP A 145 6.945 10.305 -3.245 1.00 1.23 C ATOM 1645 CG ASP A 145 7.106 10.919 -4.621 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.239 10.684 -5.489 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.103 11.640 -4.840 1.00 2.20 O ATOM 0 H ASP A 145 6.455 10.749 -0.588 1.00 0.59 H new ATOM 0 HA ASP A 145 5.277 11.606 -3.164 1.00 0.87 H new ATOM 0 HB2 ASP A 145 7.829 10.521 -2.645 1.00 1.23 H new ATOM 0 HB3 ASP A 145 6.879 9.221 -3.337 1.00 1.23 H new ATOM 1652 N ASN A 146 3.493 10.137 -1.869 1.00 0.48 N ATOM 1653 CA ASN A 146 2.327 9.249 -1.645 1.00 0.32 C ATOM 1654 C ASN A 146 2.421 8.551 -0.297 1.00 0.25 C ATOM 1655 O ASN A 146 1.668 7.637 0.003 1.00 0.37 O ATOM 1656 CB ASN A 146 2.086 8.233 -2.806 1.00 0.38 C ATOM 1657 CG ASN A 146 2.672 6.824 -2.620 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.126 5.999 -1.902 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.747 6.512 -3.320 1.00 0.65 N ATOM 0 H ASN A 146 3.302 11.111 -1.633 1.00 0.48 H new ATOM 0 HA ASN A 146 1.449 9.895 -1.635 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.011 8.138 -2.958 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.501 8.656 -3.721 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.135 5.570 -3.267 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.190 7.213 -3.914 1.00 0.65 H new ATOM 1666 N ILE A 147 3.298 9.036 0.556 1.00 0.30 N ATOM 1667 CA ILE A 147 3.399 8.488 1.892 1.00 0.34 C ATOM 1668 C ILE A 147 2.598 9.314 2.885 1.00 0.38 C ATOM 1669 O ILE A 147 2.881 10.491 3.111 1.00 0.46 O ATOM 1670 CB ILE A 147 4.852 8.387 2.372 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.657 7.499 1.425 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.895 7.846 3.791 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.111 6.095 1.282 1.00 0.50 C ATOM 0 H ILE A 147 3.944 9.799 0.352 1.00 0.30 H new ATOM 0 HA ILE A 147 2.986 7.480 1.841 1.00 0.34 H new ATOM 0 HB ILE A 147 5.299 9.381 2.371 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.687 7.968 0.441 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.685 7.443 1.782 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.931 7.778 4.123 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.345 8.516 4.452 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.440 6.856 3.817 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.738 5.529 0.593 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.107 5.605 2.256 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.093 6.138 0.894 1.00 0.50 H new ATOM 1685 N ARG A 148 1.590 8.682 3.450 1.00 0.36 N ATOM 1686 CA ARG A 148 0.779 9.269 4.502 1.00 0.38 C ATOM 1687 C ARG A 148 1.332 8.847 5.854 1.00 0.36 C ATOM 1688 O ARG A 148 1.526 7.655 6.106 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.667 8.797 4.366 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.566 9.687 3.511 1.00 0.62 C ATOM 1691 CD ARG A 148 -0.989 10.010 2.138 1.00 0.83 C ATOM 1692 NE ARG A 148 -0.081 11.156 2.158 1.00 0.98 N ATOM 1693 CZ ARG A 148 0.345 11.788 1.066 1.00 1.03 C ATOM 1694 NH1 ARG A 148 -0.140 11.456 -0.127 1.00 1.40 N ATOM 1695 NH2 ARG A 148 1.216 12.786 1.173 1.00 1.78 N ATOM 0 H ARG A 148 1.306 7.737 3.191 1.00 0.36 H new ATOM 0 HA ARG A 148 0.806 10.355 4.419 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.666 7.794 3.940 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -1.102 8.720 5.362 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -2.531 9.196 3.383 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -1.751 10.619 4.045 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -0.457 9.138 1.759 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -1.805 10.212 1.445 1.00 0.83 H new ATOM 0 HE ARG A 148 0.246 11.492 3.064 1.00 0.98 H new ATOM 0 HH11 ARG A 148 -0.839 10.717 -0.206 1.00 1.40 H new ATOM 0 HH12 ARG A 148 0.187 11.940 -0.963 1.00 1.40 H new ATOM 0 HH21 ARG A 148 1.558 13.068 2.092 1.00 1.78 H new ATOM 0 HH22 ARG A 148 1.542 13.270 0.337 1.00 1.78 H new ATOM 1709 N THR A 149 1.607 9.815 6.710 1.00 0.33 N ATOM 1710 CA THR A 149 2.114 9.524 8.040 1.00 0.31 C ATOM 1711 C THR A 149 1.054 8.843 8.881 1.00 0.28 C ATOM 1712 O THR A 149 -0.113 8.914 8.540 1.00 0.29 O ATOM 1713 CB THR A 149 2.574 10.805 8.756 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.590 11.834 8.591 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.910 11.271 8.206 1.00 0.40 C ATOM 0 H THR A 149 1.488 10.808 6.509 1.00 0.33 H new ATOM 0 HA THR A 149 2.969 8.858 7.920 1.00 0.31 H new ATOM 0 HB THR A 149 2.693 10.589 9.818 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.887 12.647 9.050 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.220 12.178 8.724 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.658 10.493 8.358 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.813 11.477 7.140 1.00 0.40 H new ATOM 1723 N LYS A 150 1.441 8.191 9.970 1.00 0.31 N ATOM 1724 CA LYS A 150 0.466 7.613 10.886 1.00 0.34 C ATOM 1725 C LYS A 150 -0.549 8.664 11.296 1.00 0.31 C ATOM 1726 O LYS A 150 -1.734 8.375 11.469 1.00 0.39 O ATOM 1727 CB LYS A 150 1.167 7.061 12.110 1.00 0.41 C ATOM 1728 CG LYS A 150 2.042 5.871 11.819 1.00 0.63 C ATOM 1729 CD LYS A 150 3.266 5.900 12.702 1.00 1.48 C ATOM 1730 CE LYS A 150 4.004 4.574 12.748 1.00 2.24 C ATOM 1731 NZ LYS A 150 3.190 3.496 13.365 1.00 3.02 N ATOM 0 H LYS A 150 2.415 8.050 10.239 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.054 6.799 10.381 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.775 7.848 12.556 1.00 0.41 H new ATOM 0 HB3 LYS A 150 0.419 6.779 12.850 1.00 0.41 H new ATOM 0 HG2 LYS A 150 1.484 4.950 11.987 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.340 5.876 10.771 1.00 0.63 H new ATOM 0 HD2 LYS A 150 3.945 6.674 12.345 1.00 1.48 H new ATOM 0 HD3 LYS A 150 2.970 6.178 13.713 1.00 1.48 H new ATOM 0 HE2 LYS A 150 4.283 4.281 11.736 1.00 2.24 H new ATOM 0 HE3 LYS A 150 4.929 4.695 13.311 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 3.805 2.878 13.932 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 2.463 3.917 13.978 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 2.731 2.937 12.618 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.070 9.891 11.416 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.928 11.013 11.726 1.00 0.34 C ATOM 1747 C GLU A 151 -1.821 11.349 10.536 1.00 0.36 C ATOM 1748 O GLU A 151 -3.037 11.486 10.677 1.00 0.48 O ATOM 1749 CB GLU A 151 -0.097 12.229 12.122 1.00 0.44 C ATOM 1750 CG GLU A 151 0.767 11.994 13.341 1.00 0.56 C ATOM 1751 CD GLU A 151 1.527 13.232 13.760 1.00 1.01 C ATOM 1752 OE1 GLU A 151 2.661 13.425 13.275 1.00 1.36 O ATOM 1753 OE2 GLU A 151 0.996 14.013 14.574 1.00 1.19 O ATOM 0 H GLU A 151 0.915 10.132 11.302 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.562 10.736 12.569 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.539 12.514 11.284 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.764 13.069 12.315 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.140 11.659 14.168 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.474 11.191 13.132 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.216 11.450 9.360 1.00 0.34 N ATOM 1761 CA GLU A 152 -1.947 11.823 8.160 1.00 0.40 C ATOM 1762 C GLU A 152 -2.887 10.710 7.704 1.00 0.40 C ATOM 1763 O GLU A 152 -3.918 10.992 7.121 1.00 0.50 O ATOM 1764 CB GLU A 152 -0.989 12.212 7.038 1.00 0.44 C ATOM 1765 CG GLU A 152 -1.689 12.571 5.740 1.00 0.54 C ATOM 1766 CD GLU A 152 -0.730 13.109 4.704 1.00 0.67 C ATOM 1767 OE1 GLU A 152 0.287 12.442 4.428 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -0.983 14.204 4.167 1.00 0.76 O ATOM 0 H GLU A 152 -0.221 11.279 9.213 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.558 12.691 8.408 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.387 13.060 7.363 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.302 11.385 6.855 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.191 11.688 5.344 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -2.461 13.315 5.939 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.539 9.454 7.963 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.440 8.340 7.678 1.00 0.35 C ATOM 1777 C ILE A 153 -4.784 8.596 8.332 1.00 0.39 C ATOM 1778 O ILE A 153 -5.835 8.480 7.702 1.00 0.43 O ATOM 1779 CB ILE A 153 -2.882 6.998 8.196 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -1.599 6.631 7.460 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -3.915 5.886 8.042 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -0.919 5.404 8.024 1.00 0.47 C ATOM 0 H ILE A 153 -1.644 9.181 8.368 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.544 8.271 6.595 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.655 7.113 9.256 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -1.827 6.461 6.408 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -0.909 7.474 7.504 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.499 4.949 8.414 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -4.809 6.138 8.613 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.176 5.775 6.990 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.012 5.197 7.456 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -0.661 5.579 9.068 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -1.593 4.550 7.955 1.00 0.47 H new ATOM 1794 N LYS A 154 -4.735 8.962 9.603 1.00 0.42 N ATOM 1795 CA LYS A 154 -5.942 9.304 10.339 1.00 0.50 C ATOM 1796 C LYS A 154 -6.585 10.556 9.749 1.00 0.56 C ATOM 1797 O LYS A 154 -7.799 10.628 9.622 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.622 9.528 11.820 1.00 0.57 C ATOM 1799 CG LYS A 154 -4.789 8.419 12.444 1.00 1.42 C ATOM 1800 CD LYS A 154 -4.432 8.743 13.886 1.00 1.77 C ATOM 1801 CE LYS A 154 -3.411 7.765 14.453 1.00 2.57 C ATOM 1802 NZ LYS A 154 -3.898 6.360 14.426 1.00 3.43 N ATOM 0 H LYS A 154 -3.874 9.030 10.146 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.643 8.474 10.255 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.090 10.473 11.928 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -6.556 9.623 12.373 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -5.342 7.480 12.406 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -3.877 8.276 11.864 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -4.034 9.756 13.942 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -5.334 8.720 14.497 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -2.486 7.837 13.881 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -3.174 8.045 15.479 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -3.214 5.746 14.913 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -4.818 6.302 14.907 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -4.002 6.048 13.440 1.00 3.43 H new ATOM 1816 N ARG A 155 -5.768 11.535 9.375 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.274 12.751 8.738 1.00 0.63 C ATOM 1818 C ARG A 155 -7.007 12.412 7.445 1.00 0.66 C ATOM 1819 O ARG A 155 -8.114 12.883 7.193 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.140 13.713 8.419 1.00 0.65 C ATOM 1821 CG ARG A 155 -4.300 14.106 9.616 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.285 15.161 9.231 1.00 1.31 C ATOM 1823 NE ARG A 155 -2.308 15.415 10.288 1.00 2.28 N ATOM 1824 CZ ARG A 155 -1.132 16.006 10.078 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -0.815 16.452 8.868 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -0.283 16.179 11.083 1.00 3.70 N ATOM 0 H ARG A 155 -4.756 11.513 9.500 1.00 0.54 H new ATOM 0 HA ARG A 155 -6.961 13.225 9.439 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.493 13.257 7.670 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -5.559 14.615 7.972 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -4.943 14.485 10.410 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -3.788 13.229 10.012 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -2.763 14.845 8.328 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -3.804 16.089 8.991 1.00 1.31 H new ATOM 0 HE ARG A 155 -2.539 15.124 11.238 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.472 16.343 8.096 1.00 2.34 H new ATOM 0 HH12 ARG A 155 0.086 16.904 8.711 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -0.530 15.859 12.020 1.00 3.70 H new ATOM 0 HH22 ARG A 155 0.616 16.632 10.919 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.370 11.573 6.642 1.00 0.58 N ATOM 1841 CA GLN A 156 -6.885 11.174 5.346 1.00 0.70 C ATOM 1842 C GLN A 156 -8.150 10.330 5.490 1.00 0.67 C ATOM 1843 O GLN A 156 -8.944 10.226 4.558 1.00 0.80 O ATOM 1844 CB GLN A 156 -5.813 10.393 4.587 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.612 11.245 4.202 1.00 0.85 C ATOM 1846 CD GLN A 156 -4.840 12.074 2.951 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -5.663 11.576 2.040 1.00 1.88 O flip ATOM 1848 NE2 GLN A 156 -4.277 13.156 2.803 1.00 0.92 N flip ATOM 0 H GLN A 156 -5.473 11.148 6.876 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.145 12.072 4.786 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.476 9.558 5.202 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.253 9.967 3.685 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.366 11.910 5.030 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.750 10.596 4.047 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -3.650 13.508 3.526 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -4.437 13.703 1.957 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.331 9.721 6.658 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.491 8.873 6.895 1.00 0.54 C ATOM 1859 C LYS A 157 -10.637 9.669 7.521 1.00 0.62 C ATOM 1860 O LYS A 157 -11.770 9.193 7.595 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.119 7.668 7.765 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.036 7.961 9.246 1.00 0.81 C ATOM 1863 CD LYS A 157 -8.829 6.686 10.045 1.00 1.02 C ATOM 1864 CE LYS A 157 -7.669 5.868 9.499 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.438 4.636 10.293 1.00 0.90 N ATOM 0 H LYS A 157 -7.693 9.799 7.450 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.834 8.499 5.931 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -9.855 6.880 7.605 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.157 7.279 7.431 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.215 8.651 9.438 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -9.951 8.455 9.574 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -8.640 6.936 11.089 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -9.740 6.088 10.021 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -7.871 5.599 8.462 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -6.764 6.476 9.500 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -7.065 3.889 9.674 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -6.752 4.834 11.049 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.335 4.321 10.714 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.339 10.879 7.973 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.350 11.759 8.523 1.00 0.91 C ATOM 1881 C GLN A 158 -12.032 12.545 7.410 1.00 1.15 C ATOM 1882 O GLN A 158 -13.226 12.298 7.152 1.00 1.78 O ATOM 1883 CB GLN A 158 -10.720 12.708 9.536 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.153 11.997 10.750 1.00 1.48 C ATOM 1885 CD GLN A 158 -9.573 12.943 11.784 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -9.019 14.060 11.337 1.00 2.12 O flip ATOM 1887 NE2 GLN A 158 -9.604 12.661 12.981 1.00 2.52 N flip ATOM 0 H GLN A 158 -9.398 11.272 7.968 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.104 11.156 9.029 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -9.925 13.272 9.049 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -11.469 13.430 9.863 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -10.939 11.401 11.214 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.377 11.304 10.426 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -10.039 11.791 13.289 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -9.194 13.297 13.665 1.00 2.52 H new