USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 137 TYR OH : rot 30:sc= 0.146 USER MOD Set 1.2: A 139 LYS NZ :NH3+ -170:sc= 0.875 (180deg=-0.141) USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0.513 USER MOD Set 2.2: A 69 GLN : amide:sc= 0.873 K(o=-0.83,f=-6.4!) USER MOD Set 2.3: A 83 HIS : no HD1:sc= -2.06 K(o=-0.83,f=-2.6!) USER MOD Set 2.4: A 86 HIS : no HE2:sc= -0.567 X(o=-0.83,f=-1.1) USER MOD Set 2.5: A 88 HIS : no HD1:sc= 0.24 K(o=-0.83,f=-3.8!) USER MOD Set 2.6: A 90 TYR OH : rot -30:sc= 0.171 USER MOD Set 3.1: A 82 SER OG : rot 89:sc= 0.211 USER MOD Set 3.2: A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.227 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 1.09 (180deg=0.902) USER MOD Single : A 66 ASN : amide:sc= -0.529 K(o=-0.53,f=-3.7!) USER MOD Single : A 73 LYS NZ :NH3+ 146:sc= -3.01! (180deg=-5.31!) USER MOD Single : A 75 THR OG1 : rot -2:sc= 0.392 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 30:sc= 0 USER MOD Single : A 81 THR OG1 : rot -118:sc= 1.08 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 91 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.0082) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc=-0.00712 (180deg=-0.0838) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -138:sc= -2.67 (180deg=-9.83!) USER MOD Single : A 111 TYR OH : rot 17:sc= -0.0184 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -172:sc= -0.986 (180deg=-1.4) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.83) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot -100:sc= 1.27 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 LYS NZ :NH3+ -159:sc= 1.87 (180deg=1.04) USER MOD Single : A 134 TYR OH : rot 180:sc= -2.4! USER MOD Single : A 135 TYR OH : rot 180:sc= -0.139 USER MOD Single : A 143 HIS : no HE2:sc= 0.578 K(o=0.58,f=-5.3!) USER MOD Single : A 146 ASN : amide:sc= -3.14! C(o=-3.1!,f=-9.7!) USER MOD Single : A 149 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 172:sc=-0.00243 (180deg=-0.0822) USER MOD Single : A 156 GLN : amide:sc= -1.29 K(o=-1.3,f=-4.1!) USER MOD Single : A 158 GLN : amide:sc= 0.0146 X(o=0.015,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 157 N ALA A 51 -9.671 -9.285 0.028 1.00 0.80 N ATOM 158 CA ALA A 51 -8.497 -9.466 -0.820 1.00 0.75 C ATOM 159 C ALA A 51 -8.910 -9.325 -2.274 1.00 0.83 C ATOM 160 O ALA A 51 -8.890 -10.283 -3.047 1.00 1.01 O ATOM 161 CB ALA A 51 -7.805 -10.796 -0.558 1.00 0.84 C ATOM 0 HA ALA A 51 -7.766 -8.694 -0.580 1.00 0.75 H new ATOM 0 HB1 ALA A 51 -6.937 -10.889 -1.210 1.00 0.84 H new ATOM 0 HB2 ALA A 51 -7.483 -10.840 0.483 1.00 0.84 H new ATOM 0 HB3 ALA A 51 -8.499 -11.613 -0.758 1.00 0.84 H new ATOM 167 N GLU A 52 -9.307 -8.105 -2.603 1.00 0.75 N ATOM 168 CA GLU A 52 -9.864 -7.752 -3.903 1.00 0.86 C ATOM 169 C GLU A 52 -9.022 -8.281 -5.061 1.00 0.97 C ATOM 170 O GLU A 52 -7.799 -8.106 -5.090 1.00 1.04 O ATOM 171 CB GLU A 52 -9.961 -6.228 -4.014 1.00 0.83 C ATOM 172 CG GLU A 52 -10.138 -5.517 -2.681 1.00 0.91 C ATOM 173 CD GLU A 52 -11.413 -5.908 -1.951 1.00 1.63 C ATOM 174 OE1 GLU A 52 -11.408 -6.923 -1.229 1.00 1.98 O ATOM 175 OE2 GLU A 52 -12.418 -5.183 -2.083 1.00 2.04 O ATOM 0 H GLU A 52 -9.250 -7.315 -1.961 1.00 0.75 H new ATOM 0 HA GLU A 52 -10.850 -8.212 -3.972 1.00 0.86 H new ATOM 0 HB2 GLU A 52 -9.059 -5.852 -4.497 1.00 0.83 H new ATOM 0 HB3 GLU A 52 -10.800 -5.975 -4.663 1.00 0.83 H new ATOM 0 HG2 GLU A 52 -9.282 -5.737 -2.044 1.00 0.91 H new ATOM 0 HG3 GLU A 52 -10.141 -4.440 -2.850 1.00 0.91 H new ATOM 182 N ASN A 53 -9.694 -8.916 -6.014 1.00 1.07 N ATOM 183 CA ASN A 53 -9.042 -9.424 -7.214 1.00 1.20 C ATOM 184 C ASN A 53 -8.943 -8.317 -8.252 1.00 1.20 C ATOM 185 O ASN A 53 -7.962 -8.220 -8.989 1.00 1.34 O ATOM 186 CB ASN A 53 -9.823 -10.604 -7.804 1.00 1.31 C ATOM 187 CG ASN A 53 -9.838 -11.825 -6.904 1.00 1.88 C ATOM 188 OD1 ASN A 53 -8.880 -12.091 -6.177 1.00 2.59 O ATOM 189 ND2 ASN A 53 -10.923 -12.585 -6.954 1.00 2.43 N ATOM 0 H ASN A 53 -10.698 -9.092 -5.977 1.00 1.07 H new ATOM 0 HA ASN A 53 -8.044 -9.767 -6.941 1.00 1.20 H new ATOM 0 HB2 ASN A 53 -10.849 -10.291 -7.997 1.00 1.31 H new ATOM 0 HB3 ASN A 53 -9.386 -10.875 -8.765 1.00 1.31 H new ATOM 0 HD21 ASN A 53 -10.985 -13.424 -6.377 1.00 2.43 H new ATOM 0 HD22 ASN A 53 -11.696 -12.331 -7.569 1.00 2.43 H new ATOM 196 N LEU A 54 -9.974 -7.480 -8.295 1.00 1.12 N ATOM 197 CA LEU A 54 -10.024 -6.363 -9.232 1.00 1.15 C ATOM 198 C LEU A 54 -9.125 -5.222 -8.763 1.00 1.13 C ATOM 199 O LEU A 54 -8.463 -5.317 -7.727 1.00 1.13 O ATOM 200 CB LEU A 54 -11.469 -5.857 -9.462 1.00 1.18 C ATOM 201 CG LEU A 54 -12.115 -5.041 -8.337 1.00 1.18 C ATOM 202 CD1 LEU A 54 -13.622 -5.007 -8.514 1.00 1.28 C ATOM 203 CD2 LEU A 54 -11.755 -5.590 -6.983 1.00 1.81 C ATOM 0 H LEU A 54 -10.791 -7.555 -7.688 1.00 1.12 H new ATOM 0 HA LEU A 54 -9.654 -6.732 -10.189 1.00 1.15 H new ATOM 0 HB2 LEU A 54 -11.473 -5.248 -10.366 1.00 1.18 H new ATOM 0 HB3 LEU A 54 -12.102 -6.722 -9.658 1.00 1.18 H new ATOM 0 HG LEU A 54 -11.729 -4.023 -8.394 1.00 1.18 H new ATOM 0 HD11 LEU A 54 -14.070 -4.425 -7.709 1.00 1.28 H new ATOM 0 HD12 LEU A 54 -13.866 -4.549 -9.472 1.00 1.28 H new ATOM 0 HD13 LEU A 54 -14.014 -6.024 -8.488 1.00 1.28 H new ATOM 0 HD21 LEU A 54 -12.230 -4.988 -6.208 1.00 1.81 H new ATOM 0 HD22 LEU A 54 -12.101 -6.621 -6.905 1.00 1.81 H new ATOM 0 HD23 LEU A 54 -10.673 -5.560 -6.854 1.00 1.81 H new ATOM 215 N THR A 55 -9.117 -4.148 -9.522 1.00 1.16 N ATOM 216 CA THR A 55 -8.249 -3.016 -9.241 1.00 1.21 C ATOM 217 C THR A 55 -8.844 -2.152 -8.135 1.00 1.14 C ATOM 218 O THR A 55 -10.056 -2.154 -7.932 1.00 1.09 O ATOM 219 CB THR A 55 -8.041 -2.153 -10.499 1.00 1.31 C ATOM 220 OG1 THR A 55 -9.285 -1.571 -10.905 1.00 1.30 O ATOM 221 CG2 THR A 55 -7.477 -2.986 -11.640 1.00 1.40 C ATOM 0 H THR A 55 -9.706 -4.031 -10.347 1.00 1.16 H new ATOM 0 HA THR A 55 -7.285 -3.410 -8.919 1.00 1.21 H new ATOM 0 HB THR A 55 -7.329 -1.364 -10.256 1.00 1.31 H new ATOM 0 HG1 THR A 55 -9.144 -1.022 -11.705 1.00 1.30 H new ATOM 0 HG21 THR A 55 -7.339 -2.355 -12.518 1.00 1.40 H new ATOM 0 HG22 THR A 55 -6.517 -3.409 -11.342 1.00 1.40 H new ATOM 0 HG23 THR A 55 -8.170 -3.793 -11.879 1.00 1.40 H new ATOM 229 N PRO A 56 -8.001 -1.404 -7.402 1.00 1.18 N ATOM 230 CA PRO A 56 -8.454 -0.506 -6.332 1.00 1.10 C ATOM 231 C PRO A 56 -9.430 0.553 -6.841 1.00 1.05 C ATOM 232 O PRO A 56 -10.237 1.086 -6.079 1.00 0.97 O ATOM 233 CB PRO A 56 -7.164 0.148 -5.825 1.00 1.21 C ATOM 234 CG PRO A 56 -6.156 -0.088 -6.894 1.00 1.38 C ATOM 235 CD PRO A 56 -6.540 -1.382 -7.550 1.00 1.34 C ATOM 0 HA PRO A 56 -8.997 -1.046 -5.556 1.00 1.10 H new ATOM 0 HB2 PRO A 56 -7.307 1.214 -5.648 1.00 1.21 H new ATOM 0 HB3 PRO A 56 -6.845 -0.292 -4.880 1.00 1.21 H new ATOM 0 HG2 PRO A 56 -6.154 0.729 -7.615 1.00 1.38 H new ATOM 0 HG3 PRO A 56 -5.151 -0.146 -6.476 1.00 1.38 H new ATOM 0 HD2 PRO A 56 -6.240 -1.409 -8.597 1.00 1.34 H new ATOM 0 HD3 PRO A 56 -6.072 -2.237 -7.062 1.00 1.34 H new ATOM 243 N ASP A 57 -9.358 0.839 -8.133 1.00 1.13 N ATOM 244 CA ASP A 57 -10.277 1.775 -8.766 1.00 1.14 C ATOM 245 C ASP A 57 -11.656 1.139 -8.847 1.00 1.07 C ATOM 246 O ASP A 57 -12.667 1.755 -8.502 1.00 1.05 O ATOM 247 CB ASP A 57 -9.775 2.146 -10.164 1.00 1.30 C ATOM 248 CG ASP A 57 -10.643 3.185 -10.847 1.00 1.61 C ATOM 249 OD1 ASP A 57 -11.652 2.811 -11.480 1.00 2.15 O ATOM 250 OD2 ASP A 57 -10.308 4.387 -10.770 1.00 1.67 O ATOM 0 H ASP A 57 -8.669 0.434 -8.767 1.00 1.13 H new ATOM 0 HA ASP A 57 -10.335 2.688 -8.173 1.00 1.14 H new ATOM 0 HB2 ASP A 57 -8.755 2.524 -10.090 1.00 1.30 H new ATOM 0 HB3 ASP A 57 -9.738 1.248 -10.781 1.00 1.30 H new ATOM 255 N GLU A 58 -11.668 -0.113 -9.290 1.00 1.09 N ATOM 256 CA GLU A 58 -12.871 -0.932 -9.312 1.00 1.05 C ATOM 257 C GLU A 58 -13.434 -1.096 -7.902 1.00 0.93 C ATOM 258 O GLU A 58 -14.644 -1.044 -7.695 1.00 0.93 O ATOM 259 CB GLU A 58 -12.527 -2.303 -9.901 1.00 1.12 C ATOM 260 CG GLU A 58 -12.321 -2.305 -11.396 1.00 1.26 C ATOM 261 CD GLU A 58 -13.581 -1.979 -12.165 1.00 1.83 C ATOM 262 OE1 GLU A 58 -14.460 -2.860 -12.276 1.00 2.54 O ATOM 263 OE2 GLU A 58 -13.706 -0.834 -12.647 1.00 2.17 O ATOM 0 H GLU A 58 -10.839 -0.589 -9.645 1.00 1.09 H new ATOM 0 HA GLU A 58 -13.628 -0.444 -9.926 1.00 1.05 H new ATOM 0 HB2 GLU A 58 -11.621 -2.674 -9.421 1.00 1.12 H new ATOM 0 HB3 GLU A 58 -13.327 -3.001 -9.656 1.00 1.12 H new ATOM 0 HG2 GLU A 58 -11.548 -1.581 -11.652 1.00 1.26 H new ATOM 0 HG3 GLU A 58 -11.956 -3.284 -11.706 1.00 1.26 H new ATOM 270 N VAL A 59 -12.534 -1.278 -6.941 1.00 0.86 N ATOM 271 CA VAL A 59 -12.906 -1.492 -5.541 1.00 0.75 C ATOM 272 C VAL A 59 -13.724 -0.334 -4.989 1.00 0.71 C ATOM 273 O VAL A 59 -14.885 -0.495 -4.612 1.00 0.71 O ATOM 274 CB VAL A 59 -11.651 -1.649 -4.655 1.00 0.72 C ATOM 275 CG1 VAL A 59 -12.023 -1.841 -3.195 1.00 0.63 C ATOM 276 CG2 VAL A 59 -10.795 -2.806 -5.130 1.00 0.82 C ATOM 0 H VAL A 59 -11.528 -1.282 -7.107 1.00 0.86 H new ATOM 0 HA VAL A 59 -13.504 -2.403 -5.519 1.00 0.75 H new ATOM 0 HB VAL A 59 -11.075 -0.728 -4.742 1.00 0.72 H new ATOM 0 HG11 VAL A 59 -11.116 -1.948 -2.600 1.00 0.63 H new ATOM 0 HG12 VAL A 59 -12.586 -0.975 -2.846 1.00 0.63 H new ATOM 0 HG13 VAL A 59 -12.634 -2.737 -3.090 1.00 0.63 H new ATOM 0 HG21 VAL A 59 -9.917 -2.896 -4.490 1.00 0.82 H new ATOM 0 HG22 VAL A 59 -11.373 -3.729 -5.085 1.00 0.82 H new ATOM 0 HG23 VAL A 59 -10.478 -2.626 -6.157 1.00 0.82 H new ATOM 286 N SER A 60 -13.101 0.832 -4.963 1.00 0.70 N ATOM 287 CA SER A 60 -13.641 1.993 -4.322 1.00 0.70 C ATOM 288 C SER A 60 -15.007 2.392 -4.857 1.00 0.74 C ATOM 289 O SER A 60 -15.989 2.440 -4.118 1.00 0.72 O ATOM 290 CB SER A 60 -12.666 3.117 -4.544 1.00 0.76 C ATOM 291 OG SER A 60 -11.400 2.831 -3.979 1.00 0.97 O ATOM 0 H SER A 60 -12.191 0.989 -5.397 1.00 0.70 H new ATOM 0 HA SER A 60 -13.783 1.771 -3.264 1.00 0.70 H new ATOM 0 HB2 SER A 60 -12.555 3.297 -5.613 1.00 0.76 H new ATOM 0 HB3 SER A 60 -13.061 4.034 -4.106 1.00 0.76 H new ATOM 0 HG SER A 60 -10.791 3.581 -4.143 1.00 0.97 H new ATOM 297 N LYS A 61 -15.049 2.697 -6.137 1.00 0.87 N ATOM 298 CA LYS A 61 -16.274 3.146 -6.792 1.00 0.96 C ATOM 299 C LYS A 61 -17.442 2.192 -6.541 1.00 0.94 C ATOM 300 O LYS A 61 -18.592 2.621 -6.432 1.00 1.01 O ATOM 301 CB LYS A 61 -16.033 3.303 -8.290 1.00 1.10 C ATOM 302 CG LYS A 61 -15.018 4.381 -8.620 1.00 1.17 C ATOM 303 CD LYS A 61 -14.619 4.335 -10.081 1.00 1.36 C ATOM 304 CE LYS A 61 -13.610 5.416 -10.416 1.00 2.01 C ATOM 305 NZ LYS A 61 -13.053 5.239 -11.779 1.00 2.54 N ATOM 0 H LYS A 61 -14.241 2.643 -6.757 1.00 0.87 H new ATOM 0 HA LYS A 61 -16.545 4.110 -6.362 1.00 0.96 H new ATOM 0 HB2 LYS A 61 -15.690 2.352 -8.698 1.00 1.10 H new ATOM 0 HB3 LYS A 61 -16.977 3.539 -8.781 1.00 1.10 H new ATOM 0 HG2 LYS A 61 -15.436 5.360 -8.386 1.00 1.17 H new ATOM 0 HG3 LYS A 61 -14.134 4.254 -7.995 1.00 1.17 H new ATOM 0 HD2 LYS A 61 -14.197 3.357 -10.313 1.00 1.36 H new ATOM 0 HD3 LYS A 61 -15.504 4.456 -10.705 1.00 1.36 H new ATOM 0 HE2 LYS A 61 -14.085 6.394 -10.341 1.00 2.01 H new ATOM 0 HE3 LYS A 61 -12.801 5.398 -9.686 1.00 2.01 H new ATOM 0 HZ1 LYS A 61 -12.318 5.955 -11.949 1.00 2.54 H new ATOM 0 HZ2 LYS A 61 -12.638 4.289 -11.864 1.00 2.54 H new ATOM 0 HZ3 LYS A 61 -13.812 5.349 -12.481 1.00 2.54 H new ATOM 319 N ARG A 62 -17.145 0.903 -6.442 1.00 0.88 N ATOM 320 CA ARG A 62 -18.166 -0.093 -6.169 1.00 0.89 C ATOM 321 C ARG A 62 -18.592 -0.068 -4.705 1.00 0.77 C ATOM 322 O ARG A 62 -19.782 -0.139 -4.398 1.00 0.82 O ATOM 323 CB ARG A 62 -17.671 -1.491 -6.549 1.00 0.93 C ATOM 324 CG ARG A 62 -17.657 -1.748 -8.042 1.00 1.21 C ATOM 325 CD ARG A 62 -17.145 -3.137 -8.367 1.00 1.21 C ATOM 326 NE ARG A 62 -17.800 -4.168 -7.565 1.00 1.85 N ATOM 327 CZ ARG A 62 -17.565 -5.472 -7.687 1.00 2.40 C ATOM 328 NH1 ARG A 62 -16.788 -5.930 -8.660 1.00 2.53 N ATOM 329 NH2 ARG A 62 -18.141 -6.318 -6.846 1.00 3.33 N ATOM 0 H ARG A 62 -16.204 0.525 -6.547 1.00 0.88 H new ATOM 0 HA ARG A 62 -19.036 0.153 -6.779 1.00 0.89 H new ATOM 0 HB2 ARG A 62 -16.664 -1.629 -6.156 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -18.306 -2.235 -6.067 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -18.664 -1.629 -8.441 1.00 1.21 H new ATOM 0 HG3 ARG A 62 -17.029 -1.005 -8.533 1.00 1.21 H new ATOM 0 HD2 ARG A 62 -17.307 -3.344 -9.425 1.00 1.21 H new ATOM 0 HD3 ARG A 62 -16.069 -3.175 -8.196 1.00 1.21 H new ATOM 0 HE ARG A 62 -18.481 -3.869 -6.867 1.00 1.85 H new ATOM 0 HH11 ARG A 62 -16.365 -5.281 -9.323 1.00 2.53 H new ATOM 0 HH12 ARG A 62 -16.614 -6.931 -8.745 1.00 2.53 H new ATOM 0 HH21 ARG A 62 -18.758 -5.968 -6.113 1.00 3.33 H new ATOM 0 HH22 ARG A 62 -17.967 -7.319 -6.931 1.00 3.33 H new ATOM 343 N GLU A 63 -17.623 0.055 -3.806 1.00 0.68 N ATOM 344 CA GLU A 63 -17.900 -0.005 -2.375 1.00 0.63 C ATOM 345 C GLU A 63 -18.542 1.286 -1.869 1.00 0.66 C ATOM 346 O GLU A 63 -19.273 1.277 -0.877 1.00 0.73 O ATOM 347 CB GLU A 63 -16.621 -0.304 -1.588 1.00 0.59 C ATOM 348 CG GLU A 63 -15.593 0.814 -1.610 1.00 0.58 C ATOM 349 CD GLU A 63 -14.342 0.451 -0.848 1.00 0.65 C ATOM 350 OE1 GLU A 63 -14.305 0.601 0.363 1.00 1.21 O ATOM 351 OE2 GLU A 63 -13.367 0.036 -1.501 1.00 1.25 O ATOM 0 H GLU A 63 -16.641 0.197 -4.041 1.00 0.68 H new ATOM 0 HA GLU A 63 -18.610 -0.816 -2.216 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -16.888 -0.515 -0.552 1.00 0.59 H new ATOM 0 HB3 GLU A 63 -16.165 -1.208 -1.991 1.00 0.59 H new ATOM 0 HG2 GLU A 63 -15.333 1.046 -2.643 1.00 0.58 H new ATOM 0 HG3 GLU A 63 -16.030 1.716 -1.181 1.00 0.58 H new ATOM 358 N GLY A 64 -18.264 2.392 -2.544 1.00 0.69 N ATOM 359 CA GLY A 64 -18.844 3.660 -2.156 1.00 0.74 C ATOM 360 C GLY A 64 -17.798 4.737 -1.973 1.00 0.72 C ATOM 361 O GLY A 64 -17.819 5.758 -2.667 1.00 0.86 O ATOM 0 H GLY A 64 -17.646 2.433 -3.355 1.00 0.69 H new ATOM 0 HA2 GLY A 64 -19.560 3.977 -2.914 1.00 0.74 H new ATOM 0 HA3 GLY A 64 -19.399 3.534 -1.226 1.00 0.74 H new ATOM 365 N ILE A 65 -16.877 4.511 -1.046 1.00 0.62 N ATOM 366 CA ILE A 65 -15.805 5.462 -0.799 1.00 0.67 C ATOM 367 C ILE A 65 -14.814 5.452 -1.953 1.00 0.81 C ATOM 368 O ILE A 65 -14.399 4.394 -2.415 1.00 1.76 O ATOM 369 CB ILE A 65 -15.046 5.178 0.518 1.00 0.61 C ATOM 370 CG1 ILE A 65 -14.409 3.789 0.506 1.00 0.53 C ATOM 371 CG2 ILE A 65 -15.973 5.316 1.710 1.00 0.89 C ATOM 372 CD1 ILE A 65 -13.609 3.484 1.753 1.00 0.49 C ATOM 0 H ILE A 65 -16.852 3.680 -0.455 1.00 0.62 H new ATOM 0 HA ILE A 65 -16.275 6.441 -0.710 1.00 0.67 H new ATOM 0 HB ILE A 65 -14.248 5.916 0.603 1.00 0.61 H new ATOM 0 HG12 ILE A 65 -15.192 3.039 0.393 1.00 0.53 H new ATOM 0 HG13 ILE A 65 -13.758 3.703 -0.364 1.00 0.53 H new ATOM 0 HG21 ILE A 65 -15.420 5.112 2.627 1.00 0.89 H new ATOM 0 HG22 ILE A 65 -16.372 6.330 1.745 1.00 0.89 H new ATOM 0 HG23 ILE A 65 -16.794 4.606 1.616 1.00 0.89 H new ATOM 0 HD11 ILE A 65 -13.185 2.483 1.677 1.00 0.49 H new ATOM 0 HD12 ILE A 65 -12.804 4.212 1.856 1.00 0.49 H new ATOM 0 HD13 ILE A 65 -14.260 3.537 2.625 1.00 0.49 H new ATOM 384 N ASN A 66 -14.444 6.629 -2.416 1.00 0.75 N ATOM 385 CA ASN A 66 -13.489 6.746 -3.506 1.00 0.69 C ATOM 386 C ASN A 66 -12.172 7.307 -2.983 1.00 0.61 C ATOM 387 O ASN A 66 -11.361 7.845 -3.739 1.00 0.64 O ATOM 388 CB ASN A 66 -14.049 7.621 -4.639 1.00 0.83 C ATOM 389 CG ASN A 66 -14.436 9.024 -4.196 1.00 1.38 C ATOM 390 OD1 ASN A 66 -13.831 9.604 -3.293 1.00 2.09 O ATOM 391 ND2 ASN A 66 -15.450 9.585 -4.837 1.00 2.10 N ATOM 0 H ASN A 66 -14.788 7.519 -2.056 1.00 0.75 H new ATOM 0 HA ASN A 66 -13.307 5.753 -3.918 1.00 0.69 H new ATOM 0 HB2 ASN A 66 -13.305 7.693 -5.432 1.00 0.83 H new ATOM 0 HB3 ASN A 66 -14.924 7.130 -5.066 1.00 0.83 H new ATOM 0 HD21 ASN A 66 -15.753 10.527 -4.588 1.00 2.10 H new ATOM 0 HD22 ASN A 66 -15.928 9.075 -5.580 1.00 2.10 H new ATOM 398 N ALA A 67 -11.979 7.187 -1.672 1.00 0.54 N ATOM 399 CA ALA A 67 -10.771 7.677 -1.022 1.00 0.49 C ATOM 400 C ALA A 67 -9.539 6.909 -1.486 1.00 0.44 C ATOM 401 O ALA A 67 -9.636 5.752 -1.905 1.00 0.45 O ATOM 402 CB ALA A 67 -10.911 7.570 0.484 1.00 0.47 C ATOM 0 H ALA A 67 -12.649 6.752 -1.038 1.00 0.54 H new ATOM 0 HA ALA A 67 -10.641 8.723 -1.300 1.00 0.49 H new ATOM 0 HB1 ALA A 67 -10.003 7.939 0.961 1.00 0.47 H new ATOM 0 HB2 ALA A 67 -11.762 8.166 0.814 1.00 0.47 H new ATOM 0 HB3 ALA A 67 -11.069 6.528 0.762 1.00 0.47 H new ATOM 408 N GLU A 68 -8.386 7.563 -1.395 1.00 0.44 N ATOM 409 CA GLU A 68 -7.127 6.979 -1.835 1.00 0.42 C ATOM 410 C GLU A 68 -6.739 5.805 -0.954 1.00 0.34 C ATOM 411 O GLU A 68 -6.845 5.874 0.271 1.00 0.35 O ATOM 412 CB GLU A 68 -5.999 8.012 -1.807 1.00 0.50 C ATOM 413 CG GLU A 68 -6.250 9.229 -2.677 1.00 0.78 C ATOM 414 CD GLU A 68 -7.042 10.307 -1.970 1.00 1.79 C ATOM 415 OE1 GLU A 68 -8.287 10.230 -1.980 1.00 2.59 O ATOM 416 OE2 GLU A 68 -6.424 11.235 -1.405 1.00 2.28 O ATOM 0 H GLU A 68 -8.299 8.506 -1.017 1.00 0.44 H new ATOM 0 HA GLU A 68 -7.273 6.635 -2.859 1.00 0.42 H new ATOM 0 HB2 GLU A 68 -5.847 8.339 -0.779 1.00 0.50 H new ATOM 0 HB3 GLU A 68 -5.074 7.533 -2.129 1.00 0.50 H new ATOM 0 HG2 GLU A 68 -5.294 9.641 -3.001 1.00 0.78 H new ATOM 0 HG3 GLU A 68 -6.785 8.922 -3.576 1.00 0.78 H new ATOM 423 N GLN A 69 -6.281 4.739 -1.584 1.00 0.31 N ATOM 424 CA GLN A 69 -5.886 3.546 -0.865 1.00 0.24 C ATOM 425 C GLN A 69 -4.514 3.717 -0.251 1.00 0.21 C ATOM 426 O GLN A 69 -3.505 3.727 -0.952 1.00 0.27 O ATOM 427 CB GLN A 69 -5.902 2.322 -1.777 1.00 0.29 C ATOM 428 CG GLN A 69 -7.263 1.655 -1.865 1.00 0.43 C ATOM 429 CD GLN A 69 -8.179 2.254 -2.912 1.00 0.80 C ATOM 430 OE1 GLN A 69 -8.083 3.427 -3.260 1.00 1.64 O ATOM 431 NE2 GLN A 69 -9.102 1.445 -3.398 1.00 0.76 N ATOM 0 H GLN A 69 -6.174 4.677 -2.596 1.00 0.31 H new ATOM 0 HA GLN A 69 -6.610 3.389 -0.066 1.00 0.24 H new ATOM 0 HB2 GLN A 69 -5.585 2.619 -2.777 1.00 0.29 H new ATOM 0 HB3 GLN A 69 -5.173 1.598 -1.414 1.00 0.29 H new ATOM 0 HG2 GLN A 69 -7.123 0.596 -2.083 1.00 0.43 H new ATOM 0 HG3 GLN A 69 -7.750 1.719 -0.892 1.00 0.43 H new ATOM 0 HE21 GLN A 69 -9.148 0.476 -3.083 1.00 0.76 H new ATOM 0 HE22 GLN A 69 -9.769 1.789 -4.089 1.00 0.76 H new ATOM 440 N ILE A 70 -4.492 3.869 1.061 1.00 0.19 N ATOM 441 CA ILE A 70 -3.250 4.015 1.790 1.00 0.17 C ATOM 442 C ILE A 70 -2.831 2.675 2.386 1.00 0.14 C ATOM 443 O ILE A 70 -3.327 2.268 3.434 1.00 0.14 O ATOM 444 CB ILE A 70 -3.401 5.067 2.907 1.00 0.21 C ATOM 445 CG1 ILE A 70 -3.907 6.383 2.306 1.00 0.27 C ATOM 446 CG2 ILE A 70 -2.073 5.272 3.626 1.00 0.21 C ATOM 447 CD1 ILE A 70 -4.297 7.422 3.332 1.00 0.36 C ATOM 0 H ILE A 70 -5.328 3.894 1.645 1.00 0.19 H new ATOM 0 HA ILE A 70 -2.479 4.351 1.097 1.00 0.17 H new ATOM 0 HB ILE A 70 -4.127 4.714 3.639 1.00 0.21 H new ATOM 0 HG12 ILE A 70 -3.131 6.798 1.662 1.00 0.27 H new ATOM 0 HG13 ILE A 70 -4.769 6.173 1.672 1.00 0.27 H new ATOM 0 HG21 ILE A 70 -2.196 6.017 4.412 1.00 0.21 H new ATOM 0 HG22 ILE A 70 -1.749 4.330 4.068 1.00 0.21 H new ATOM 0 HG23 ILE A 70 -1.323 5.616 2.914 1.00 0.21 H new ATOM 0 HD11 ILE A 70 -4.644 8.322 2.825 1.00 0.36 H new ATOM 0 HD12 ILE A 70 -5.096 7.030 3.961 1.00 0.36 H new ATOM 0 HD13 ILE A 70 -3.433 7.664 3.951 1.00 0.36 H new ATOM 459 N VAL A 71 -1.930 1.990 1.701 1.00 0.15 N ATOM 460 CA VAL A 71 -1.461 0.681 2.127 1.00 0.15 C ATOM 461 C VAL A 71 -0.675 0.799 3.432 1.00 0.14 C ATOM 462 O VAL A 71 0.379 1.433 3.476 1.00 0.17 O ATOM 463 CB VAL A 71 -0.578 0.014 1.042 1.00 0.18 C ATOM 464 CG1 VAL A 71 -0.061 -1.338 1.504 1.00 0.19 C ATOM 465 CG2 VAL A 71 -1.333 -0.136 -0.270 1.00 0.20 C ATOM 0 H VAL A 71 -1.504 2.324 0.837 1.00 0.15 H new ATOM 0 HA VAL A 71 -2.337 0.052 2.287 1.00 0.15 H new ATOM 0 HB VAL A 71 0.276 0.671 0.875 1.00 0.18 H new ATOM 0 HG11 VAL A 71 0.555 -1.779 0.720 1.00 0.19 H new ATOM 0 HG12 VAL A 71 0.537 -1.210 2.406 1.00 0.19 H new ATOM 0 HG13 VAL A 71 -0.903 -1.996 1.717 1.00 0.19 H new ATOM 0 HG21 VAL A 71 -0.686 -0.607 -1.010 1.00 0.20 H new ATOM 0 HG22 VAL A 71 -2.216 -0.756 -0.113 1.00 0.20 H new ATOM 0 HG23 VAL A 71 -1.639 0.847 -0.628 1.00 0.20 H new ATOM 475 N ILE A 72 -1.209 0.212 4.494 1.00 0.14 N ATOM 476 CA ILE A 72 -0.566 0.253 5.801 1.00 0.17 C ATOM 477 C ILE A 72 0.249 -1.006 6.047 1.00 0.22 C ATOM 478 O ILE A 72 1.164 -1.021 6.871 1.00 0.29 O ATOM 479 CB ILE A 72 -1.600 0.404 6.928 1.00 0.18 C ATOM 480 CG1 ILE A 72 -2.699 -0.650 6.767 1.00 0.19 C ATOM 481 CG2 ILE A 72 -2.178 1.810 6.922 1.00 0.19 C ATOM 482 CD1 ILE A 72 -3.637 -0.752 7.943 1.00 0.21 C ATOM 0 H ILE A 72 -2.090 -0.301 4.476 1.00 0.14 H new ATOM 0 HA ILE A 72 0.095 1.120 5.803 1.00 0.17 H new ATOM 0 HB ILE A 72 -1.114 0.246 7.891 1.00 0.18 H new ATOM 0 HG12 ILE A 72 -3.279 -0.420 5.873 1.00 0.19 H new ATOM 0 HG13 ILE A 72 -2.233 -1.622 6.603 1.00 0.19 H new ATOM 0 HG21 ILE A 72 -2.909 1.906 7.724 1.00 0.19 H new ATOM 0 HG22 ILE A 72 -1.377 2.533 7.073 1.00 0.19 H new ATOM 0 HG23 ILE A 72 -2.663 2.000 5.964 1.00 0.19 H new ATOM 0 HD11 ILE A 72 -4.384 -1.521 7.747 1.00 0.21 H new ATOM 0 HD12 ILE A 72 -3.072 -1.015 8.837 1.00 0.21 H new ATOM 0 HD13 ILE A 72 -4.134 0.206 8.096 1.00 0.21 H new ATOM 494 N LYS A 73 -0.100 -2.065 5.336 1.00 0.21 N ATOM 495 CA LYS A 73 0.616 -3.323 5.433 1.00 0.26 C ATOM 496 C LYS A 73 0.757 -3.971 4.066 1.00 0.24 C ATOM 497 O LYS A 73 -0.171 -3.943 3.263 1.00 0.25 O ATOM 498 CB LYS A 73 -0.104 -4.272 6.390 1.00 0.35 C ATOM 499 CG LYS A 73 0.357 -5.717 6.270 1.00 0.41 C ATOM 500 CD LYS A 73 -0.147 -6.591 7.406 1.00 0.59 C ATOM 501 CE LYS A 73 0.529 -6.280 8.741 1.00 1.22 C ATOM 502 NZ LYS A 73 0.146 -4.949 9.290 1.00 1.94 N ATOM 0 H LYS A 73 -0.881 -2.076 4.681 1.00 0.21 H new ATOM 0 HA LYS A 73 1.613 -3.117 5.822 1.00 0.26 H new ATOM 0 HB2 LYS A 73 0.054 -3.932 7.414 1.00 0.35 H new ATOM 0 HB3 LYS A 73 -1.176 -4.224 6.199 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.011 -6.127 5.321 1.00 0.41 H new ATOM 0 HG3 LYS A 73 1.446 -5.746 6.251 1.00 0.41 H new ATOM 0 HD2 LYS A 73 -1.224 -6.458 7.510 1.00 0.59 H new ATOM 0 HD3 LYS A 73 0.022 -7.638 7.154 1.00 0.59 H new ATOM 0 HE2 LYS A 73 0.268 -7.054 9.463 1.00 1.22 H new ATOM 0 HE3 LYS A 73 1.611 -6.316 8.612 1.00 1.22 H new ATOM 0 HZ1 LYS A 73 0.116 -4.997 10.328 1.00 1.94 H new ATOM 0 HZ2 LYS A 73 0.846 -4.238 8.997 1.00 1.94 H new ATOM 0 HZ3 LYS A 73 -0.792 -4.681 8.928 1.00 1.94 H new ATOM 516 N ILE A 74 1.912 -4.568 3.825 1.00 0.28 N ATOM 517 CA ILE A 74 2.182 -5.230 2.556 1.00 0.31 C ATOM 518 C ILE A 74 2.498 -6.698 2.797 1.00 0.38 C ATOM 519 O ILE A 74 3.119 -7.050 3.802 1.00 0.41 O ATOM 520 CB ILE A 74 3.382 -4.624 1.796 1.00 0.35 C ATOM 521 CG1 ILE A 74 3.421 -3.099 1.896 1.00 0.38 C ATOM 522 CG2 ILE A 74 3.319 -5.047 0.336 1.00 0.40 C ATOM 523 CD1 ILE A 74 4.739 -2.512 1.439 1.00 0.44 C ATOM 0 H ILE A 74 2.682 -4.609 4.493 1.00 0.28 H new ATOM 0 HA ILE A 74 1.284 -5.097 1.952 1.00 0.31 H new ATOM 0 HB ILE A 74 4.294 -5.000 2.259 1.00 0.35 H new ATOM 0 HG12 ILE A 74 2.614 -2.680 1.295 1.00 0.38 H new ATOM 0 HG13 ILE A 74 3.236 -2.803 2.929 1.00 0.38 H new ATOM 0 HG21 ILE A 74 4.165 -4.621 -0.203 1.00 0.40 H new ATOM 0 HG22 ILE A 74 3.358 -6.134 0.270 1.00 0.40 H new ATOM 0 HG23 ILE A 74 2.389 -4.689 -0.107 1.00 0.40 H new ATOM 0 HD11 ILE A 74 4.706 -1.427 1.533 1.00 0.44 H new ATOM 0 HD12 ILE A 74 5.546 -2.906 2.057 1.00 0.44 H new ATOM 0 HD13 ILE A 74 4.915 -2.781 0.397 1.00 0.44 H new ATOM 535 N THR A 75 2.083 -7.546 1.874 1.00 0.45 N ATOM 536 CA THR A 75 2.365 -8.966 1.951 1.00 0.54 C ATOM 537 C THR A 75 2.745 -9.498 0.573 1.00 0.60 C ATOM 538 O THR A 75 2.786 -8.732 -0.392 1.00 0.71 O ATOM 539 CB THR A 75 1.153 -9.743 2.502 1.00 0.69 C ATOM 540 OG1 THR A 75 -0.027 -9.373 1.777 1.00 0.79 O ATOM 541 CG2 THR A 75 0.949 -9.467 3.986 1.00 0.72 C ATOM 0 H THR A 75 1.543 -7.271 1.053 1.00 0.45 H new ATOM 0 HA THR A 75 3.201 -9.111 2.636 1.00 0.54 H new ATOM 0 HB THR A 75 1.346 -10.808 2.377 1.00 0.69 H new ATOM 0 HG1 THR A 75 0.198 -8.689 1.112 1.00 0.79 H new ATOM 0 HG21 THR A 75 0.087 -10.029 4.345 1.00 0.72 H new ATOM 0 HG22 THR A 75 1.838 -9.773 4.538 1.00 0.72 H new ATOM 0 HG23 THR A 75 0.776 -8.402 4.138 1.00 0.72 H new ATOM 549 N ASP A 76 3.024 -10.787 0.466 1.00 0.70 N ATOM 550 CA ASP A 76 3.394 -11.364 -0.819 1.00 0.82 C ATOM 551 C ASP A 76 2.159 -11.567 -1.690 1.00 0.90 C ATOM 552 O ASP A 76 2.226 -11.465 -2.915 1.00 1.08 O ATOM 553 CB ASP A 76 4.146 -12.690 -0.638 1.00 1.00 C ATOM 554 CG ASP A 76 3.266 -13.821 -0.142 1.00 1.46 C ATOM 555 OD1 ASP A 76 3.022 -13.898 1.081 1.00 2.15 O ATOM 556 OD2 ASP A 76 2.806 -14.632 -0.974 1.00 2.01 O ATOM 0 H ASP A 76 3.002 -11.448 1.242 1.00 0.70 H new ATOM 0 HA ASP A 76 4.063 -10.664 -1.319 1.00 0.82 H new ATOM 0 HB2 ASP A 76 4.593 -12.978 -1.590 1.00 1.00 H new ATOM 0 HB3 ASP A 76 4.965 -12.541 0.066 1.00 1.00 H new ATOM 561 N GLN A 77 1.027 -11.824 -1.048 1.00 0.94 N ATOM 562 CA GLN A 77 -0.215 -12.076 -1.767 1.00 1.14 C ATOM 563 C GLN A 77 -0.908 -10.771 -2.139 1.00 1.11 C ATOM 564 O GLN A 77 -1.635 -10.708 -3.126 1.00 1.49 O ATOM 565 CB GLN A 77 -1.151 -12.936 -0.920 1.00 1.36 C ATOM 566 CG GLN A 77 -0.552 -14.273 -0.527 1.00 1.89 C ATOM 567 CD GLN A 77 -1.456 -15.068 0.389 1.00 2.52 C ATOM 568 OE1 GLN A 77 -2.278 -15.864 -0.067 1.00 2.98 O ATOM 569 NE2 GLN A 77 -1.321 -14.848 1.684 1.00 3.19 N ATOM 0 H GLN A 77 0.943 -11.863 -0.032 1.00 0.94 H new ATOM 0 HA GLN A 77 0.031 -12.609 -2.685 1.00 1.14 H new ATOM 0 HB2 GLN A 77 -1.419 -12.387 -0.017 1.00 1.36 H new ATOM 0 HB3 GLN A 77 -2.074 -13.109 -1.474 1.00 1.36 H new ATOM 0 HG2 GLN A 77 -0.350 -14.855 -1.426 1.00 1.89 H new ATOM 0 HG3 GLN A 77 0.405 -14.107 -0.033 1.00 1.89 H new ATOM 0 HE21 GLN A 77 -0.627 -14.180 2.018 1.00 3.19 H new ATOM 0 HE22 GLN A 77 -1.911 -15.347 2.350 1.00 3.19 H new ATOM 578 N GLY A 78 -0.674 -9.733 -1.350 1.00 0.78 N ATOM 579 CA GLY A 78 -1.295 -8.449 -1.606 1.00 0.78 C ATOM 580 C GLY A 78 -0.938 -7.432 -0.547 1.00 0.72 C ATOM 581 O GLY A 78 0.214 -7.352 -0.120 1.00 0.99 O ATOM 0 H GLY A 78 -0.063 -9.757 -0.534 1.00 0.78 H new ATOM 0 HA2 GLY A 78 -0.981 -8.082 -2.583 1.00 0.78 H new ATOM 0 HA3 GLY A 78 -2.378 -8.570 -1.644 1.00 0.78 H new ATOM 585 N TYR A 79 -1.920 -6.670 -0.103 1.00 0.43 N ATOM 586 CA TYR A 79 -1.700 -5.673 0.932 1.00 0.36 C ATOM 587 C TYR A 79 -2.987 -5.355 1.656 1.00 0.28 C ATOM 588 O TYR A 79 -4.059 -5.838 1.290 1.00 0.28 O ATOM 589 CB TYR A 79 -1.125 -4.377 0.357 1.00 0.40 C ATOM 590 CG TYR A 79 -1.942 -3.756 -0.755 1.00 1.14 C ATOM 591 CD1 TYR A 79 -3.191 -3.190 -0.536 1.00 2.36 C ATOM 592 CD2 TYR A 79 -1.442 -3.744 -2.030 1.00 1.23 C ATOM 593 CE1 TYR A 79 -3.909 -2.632 -1.577 1.00 3.09 C ATOM 594 CE2 TYR A 79 -2.146 -3.191 -3.081 1.00 1.86 C ATOM 595 CZ TYR A 79 -3.383 -2.635 -2.848 1.00 2.67 C ATOM 596 OH TYR A 79 -4.095 -2.085 -3.890 1.00 3.47 O ATOM 0 H TYR A 79 -2.880 -6.721 -0.443 1.00 0.43 H new ATOM 0 HA TYR A 79 -0.980 -6.100 1.630 1.00 0.36 H new ATOM 0 HB2 TYR A 79 -1.026 -3.651 1.164 1.00 0.40 H new ATOM 0 HB3 TYR A 79 -0.121 -4.577 -0.017 1.00 0.40 H new ATOM 0 HD1 TYR A 79 -3.607 -3.186 0.461 1.00 2.36 H new ATOM 0 HD2 TYR A 79 -0.471 -4.179 -2.218 1.00 1.23 H new ATOM 0 HE1 TYR A 79 -4.879 -2.195 -1.393 1.00 3.09 H new ATOM 0 HE2 TYR A 79 -1.729 -3.195 -4.077 1.00 1.86 H new ATOM 0 HH TYR A 79 -4.660 -1.359 -3.553 1.00 3.47 H new ATOM 606 N VAL A 80 -2.874 -4.527 2.675 1.00 0.29 N ATOM 607 CA VAL A 80 -4.033 -4.032 3.375 1.00 0.27 C ATOM 608 C VAL A 80 -3.934 -2.520 3.497 1.00 0.21 C ATOM 609 O VAL A 80 -2.905 -1.993 3.929 1.00 0.19 O ATOM 610 CB VAL A 80 -4.177 -4.661 4.783 1.00 0.28 C ATOM 611 CG1 VAL A 80 -5.539 -4.350 5.382 1.00 0.28 C ATOM 612 CG2 VAL A 80 -3.938 -6.164 4.736 1.00 0.40 C ATOM 0 H VAL A 80 -1.984 -4.183 3.035 1.00 0.29 H new ATOM 0 HA VAL A 80 -4.917 -4.311 2.801 1.00 0.27 H new ATOM 0 HB VAL A 80 -3.416 -4.218 5.426 1.00 0.28 H new ATOM 0 HG11 VAL A 80 -5.614 -4.803 6.370 1.00 0.28 H new ATOM 0 HG12 VAL A 80 -5.661 -3.270 5.468 1.00 0.28 H new ATOM 0 HG13 VAL A 80 -6.320 -4.753 4.738 1.00 0.28 H new ATOM 0 HG21 VAL A 80 -4.045 -6.581 5.737 1.00 0.40 H new ATOM 0 HG22 VAL A 80 -4.666 -6.628 4.070 1.00 0.40 H new ATOM 0 HG23 VAL A 80 -2.932 -6.361 4.367 1.00 0.40 H new ATOM 622 N THR A 81 -4.981 -1.825 3.094 1.00 0.22 N ATOM 623 CA THR A 81 -4.978 -0.375 3.095 1.00 0.22 C ATOM 624 C THR A 81 -5.816 0.177 4.236 1.00 0.22 C ATOM 625 O THR A 81 -6.704 -0.498 4.746 1.00 0.35 O ATOM 626 CB THR A 81 -5.540 0.183 1.774 1.00 0.32 C ATOM 627 OG1 THR A 81 -6.858 -0.331 1.552 1.00 0.36 O ATOM 628 CG2 THR A 81 -4.648 -0.181 0.600 1.00 0.40 C ATOM 0 H THR A 81 -5.849 -2.244 2.760 1.00 0.22 H new ATOM 0 HA THR A 81 -3.940 -0.065 3.216 1.00 0.22 H new ATOM 0 HB THR A 81 -5.576 1.269 1.854 1.00 0.32 H new ATOM 0 HG1 THR A 81 -6.869 -0.858 0.726 1.00 0.36 H new ATOM 0 HG21 THR A 81 -5.071 0.227 -0.318 1.00 0.40 H new ATOM 0 HG22 THR A 81 -3.653 0.234 0.757 1.00 0.40 H new ATOM 0 HG23 THR A 81 -4.580 -1.266 0.518 1.00 0.40 H new ATOM 636 N SER A 82 -5.510 1.392 4.641 1.00 0.19 N ATOM 637 CA SER A 82 -6.387 2.157 5.495 1.00 0.20 C ATOM 638 C SER A 82 -6.939 3.305 4.673 1.00 0.24 C ATOM 639 O SER A 82 -6.352 4.388 4.624 1.00 0.29 O ATOM 640 CB SER A 82 -5.636 2.685 6.721 1.00 0.25 C ATOM 641 OG SER A 82 -6.474 3.499 7.529 1.00 1.19 O ATOM 0 H SER A 82 -4.648 1.874 4.387 1.00 0.19 H new ATOM 0 HA SER A 82 -7.196 1.526 5.863 1.00 0.20 H new ATOM 0 HB2 SER A 82 -5.262 1.847 7.310 1.00 0.25 H new ATOM 0 HB3 SER A 82 -4.768 3.260 6.399 1.00 0.25 H new ATOM 0 HG SER A 82 -6.944 2.939 8.181 1.00 1.19 H new ATOM 647 N HIS A 83 -8.058 3.066 4.014 1.00 0.24 N ATOM 648 CA HIS A 83 -8.591 4.038 3.088 1.00 0.30 C ATOM 649 C HIS A 83 -10.029 4.381 3.451 1.00 0.29 C ATOM 650 O HIS A 83 -10.727 3.583 4.082 1.00 0.27 O ATOM 651 CB HIS A 83 -8.459 3.532 1.633 1.00 0.33 C ATOM 652 CG HIS A 83 -9.560 2.629 1.160 1.00 0.32 C ATOM 653 ND1 HIS A 83 -10.021 2.595 -0.154 1.00 0.39 N ATOM 654 CD2 HIS A 83 -10.331 1.749 1.850 1.00 0.28 C ATOM 655 CE1 HIS A 83 -11.042 1.722 -0.205 1.00 0.39 C ATOM 656 NE2 HIS A 83 -11.246 1.218 0.977 1.00 0.33 N ATOM 0 H HIS A 83 -8.609 2.213 4.104 1.00 0.24 H new ATOM 0 HA HIS A 83 -8.010 4.957 3.161 1.00 0.30 H new ATOM 0 HB2 HIS A 83 -8.411 4.396 0.970 1.00 0.33 H new ATOM 0 HB3 HIS A 83 -7.511 3.002 1.536 1.00 0.33 H new ATOM 0 HD2 HIS A 83 -10.240 1.510 2.899 1.00 0.28 H new ATOM 0 HE1 HIS A 83 -11.607 1.476 -1.092 1.00 0.39 H new ATOM 0 HE2 HIS A 83 -11.969 0.539 1.216 1.00 0.33 H new ATOM 664 N GLY A 84 -10.459 5.572 3.076 1.00 0.35 N ATOM 665 CA GLY A 84 -11.801 6.006 3.394 1.00 0.36 C ATOM 666 C GLY A 84 -12.001 6.184 4.882 1.00 0.36 C ATOM 667 O GLY A 84 -11.738 7.253 5.424 1.00 0.42 O ATOM 0 H GLY A 84 -9.901 6.249 2.555 1.00 0.35 H new ATOM 0 HA2 GLY A 84 -12.008 6.948 2.885 1.00 0.36 H new ATOM 0 HA3 GLY A 84 -12.517 5.276 3.017 1.00 0.36 H new ATOM 671 N ASP A 85 -12.474 5.136 5.535 1.00 0.33 N ATOM 672 CA ASP A 85 -12.719 5.162 6.971 1.00 0.36 C ATOM 673 C ASP A 85 -12.171 3.899 7.641 1.00 0.33 C ATOM 674 O ASP A 85 -12.093 3.812 8.869 1.00 0.38 O ATOM 675 CB ASP A 85 -14.228 5.304 7.218 1.00 0.42 C ATOM 676 CG ASP A 85 -14.631 5.119 8.666 1.00 0.89 C ATOM 677 OD1 ASP A 85 -14.333 6.003 9.495 1.00 0.85 O ATOM 678 OD2 ASP A 85 -15.260 4.087 8.982 1.00 1.59 O ATOM 0 H ASP A 85 -12.699 4.246 5.089 1.00 0.33 H new ATOM 0 HA ASP A 85 -12.200 6.014 7.411 1.00 0.36 H new ATOM 0 HB2 ASP A 85 -14.550 6.290 6.884 1.00 0.42 H new ATOM 0 HB3 ASP A 85 -14.757 4.572 6.607 1.00 0.42 H new ATOM 683 N HIS A 86 -11.745 2.936 6.834 1.00 0.29 N ATOM 684 CA HIS A 86 -11.477 1.594 7.342 1.00 0.27 C ATOM 685 C HIS A 86 -10.238 0.973 6.736 1.00 0.23 C ATOM 686 O HIS A 86 -9.556 1.571 5.906 1.00 0.21 O ATOM 687 CB HIS A 86 -12.680 0.688 7.064 1.00 0.29 C ATOM 688 CG HIS A 86 -13.095 0.646 5.616 1.00 0.27 C ATOM 689 ND1 HIS A 86 -14.388 0.909 5.177 1.00 0.30 N ATOM 690 CD2 HIS A 86 -12.370 0.343 4.497 1.00 0.26 C ATOM 691 CE1 HIS A 86 -14.411 0.753 3.840 1.00 0.30 C ATOM 692 NE2 HIS A 86 -13.228 0.407 3.410 1.00 0.28 N ATOM 0 H HIS A 86 -11.578 3.055 5.835 1.00 0.29 H new ATOM 0 HA HIS A 86 -11.304 1.689 8.414 1.00 0.27 H new ATOM 0 HB2 HIS A 86 -12.443 -0.324 7.393 1.00 0.29 H new ATOM 0 HB3 HIS A 86 -13.524 1.029 7.663 1.00 0.29 H new ATOM 0 HD1 HIS A 86 -15.179 1.173 5.764 1.00 0.30 H new ATOM 0 HD2 HIS A 86 -11.319 0.098 4.466 1.00 0.26 H new ATOM 0 HE1 HIS A 86 -15.280 0.893 3.215 1.00 0.30 H new ATOM 700 N TYR A 87 -9.962 -0.244 7.175 1.00 0.24 N ATOM 701 CA TYR A 87 -8.899 -1.035 6.608 1.00 0.22 C ATOM 702 C TYR A 87 -9.498 -1.989 5.595 1.00 0.22 C ATOM 703 O TYR A 87 -10.446 -2.720 5.903 1.00 0.26 O ATOM 704 CB TYR A 87 -8.173 -1.821 7.701 1.00 0.25 C ATOM 705 CG TYR A 87 -7.723 -0.961 8.852 1.00 0.29 C ATOM 706 CD1 TYR A 87 -7.093 0.241 8.616 1.00 0.27 C ATOM 707 CD2 TYR A 87 -7.926 -1.347 10.167 1.00 0.38 C ATOM 708 CE1 TYR A 87 -6.673 1.042 9.647 1.00 0.32 C ATOM 709 CE2 TYR A 87 -7.509 -0.550 11.214 1.00 0.43 C ATOM 710 CZ TYR A 87 -6.882 0.646 10.949 1.00 0.40 C ATOM 711 OH TYR A 87 -6.470 1.448 11.988 1.00 0.46 O ATOM 0 H TYR A 87 -10.470 -0.704 7.931 1.00 0.24 H new ATOM 0 HA TYR A 87 -8.174 -0.380 6.124 1.00 0.22 H new ATOM 0 HB2 TYR A 87 -8.833 -2.603 8.077 1.00 0.25 H new ATOM 0 HB3 TYR A 87 -7.306 -2.318 7.267 1.00 0.25 H new ATOM 0 HD1 TYR A 87 -6.926 0.559 7.598 1.00 0.27 H new ATOM 0 HD2 TYR A 87 -8.418 -2.286 10.376 1.00 0.38 H new ATOM 0 HE1 TYR A 87 -6.180 1.980 9.438 1.00 0.32 H new ATOM 0 HE2 TYR A 87 -7.674 -0.863 12.234 1.00 0.43 H new ATOM 0 HH TYR A 87 -6.695 1.020 12.841 1.00 0.46 H new ATOM 721 N HIS A 88 -8.943 -1.999 4.405 1.00 0.21 N ATOM 722 CA HIS A 88 -9.480 -2.807 3.335 1.00 0.25 C ATOM 723 C HIS A 88 -8.382 -3.717 2.794 1.00 0.26 C ATOM 724 O HIS A 88 -7.275 -3.267 2.496 1.00 0.28 O ATOM 725 CB HIS A 88 -10.063 -1.899 2.240 1.00 0.29 C ATOM 726 CG HIS A 88 -11.180 -2.531 1.463 1.00 0.35 C ATOM 727 ND1 HIS A 88 -12.343 -1.871 1.158 1.00 0.38 N ATOM 728 CD2 HIS A 88 -11.270 -3.782 0.937 1.00 0.43 C ATOM 729 CE1 HIS A 88 -13.110 -2.691 0.484 1.00 0.47 C ATOM 730 NE2 HIS A 88 -12.501 -3.878 0.311 1.00 0.51 N ATOM 0 H HIS A 88 -8.118 -1.455 4.153 1.00 0.21 H new ATOM 0 HA HIS A 88 -10.290 -3.436 3.706 1.00 0.25 H new ATOM 0 HB2 HIS A 88 -10.426 -0.979 2.699 1.00 0.29 H new ATOM 0 HB3 HIS A 88 -9.266 -1.618 1.551 1.00 0.29 H new ATOM 0 HD2 HIS A 88 -10.520 -4.557 0.997 1.00 0.43 H new ATOM 0 HE1 HIS A 88 -14.096 -2.448 0.117 1.00 0.47 H new ATOM 0 HE2 HIS A 88 -12.873 -4.689 -0.184 1.00 0.51 H new ATOM 738 N TYR A 89 -8.681 -5.003 2.719 1.00 0.28 N ATOM 739 CA TYR A 89 -7.702 -6.009 2.325 1.00 0.31 C ATOM 740 C TYR A 89 -7.757 -6.246 0.815 1.00 0.36 C ATOM 741 O TYR A 89 -8.826 -6.495 0.265 1.00 0.44 O ATOM 742 CB TYR A 89 -8.002 -7.312 3.074 1.00 0.45 C ATOM 743 CG TYR A 89 -6.801 -8.199 3.314 1.00 0.45 C ATOM 744 CD1 TYR A 89 -5.827 -8.376 2.344 1.00 0.45 C ATOM 745 CD2 TYR A 89 -6.658 -8.881 4.514 1.00 0.59 C ATOM 746 CE1 TYR A 89 -4.749 -9.200 2.556 1.00 0.50 C ATOM 747 CE2 TYR A 89 -5.575 -9.707 4.739 1.00 0.62 C ATOM 748 CZ TYR A 89 -4.622 -9.864 3.757 1.00 0.53 C ATOM 749 OH TYR A 89 -3.545 -10.699 3.970 1.00 0.60 O ATOM 0 H TYR A 89 -9.605 -5.381 2.928 1.00 0.28 H new ATOM 0 HA TYR A 89 -6.701 -5.660 2.578 1.00 0.31 H new ATOM 0 HB2 TYR A 89 -8.452 -7.066 4.036 1.00 0.45 H new ATOM 0 HB3 TYR A 89 -8.745 -7.876 2.510 1.00 0.45 H new ATOM 0 HD1 TYR A 89 -5.918 -7.855 1.402 1.00 0.45 H new ATOM 0 HD2 TYR A 89 -7.406 -8.764 5.284 1.00 0.59 H new ATOM 0 HE1 TYR A 89 -4.004 -9.327 1.785 1.00 0.50 H new ATOM 0 HE2 TYR A 89 -5.476 -10.227 5.680 1.00 0.62 H new ATOM 0 HH TYR A 89 -3.605 -11.088 4.867 1.00 0.60 H new ATOM 759 N TYR A 90 -6.607 -6.172 0.152 1.00 0.45 N ATOM 760 CA TYR A 90 -6.543 -6.377 -1.294 1.00 0.69 C ATOM 761 C TYR A 90 -5.559 -7.489 -1.636 1.00 0.55 C ATOM 762 O TYR A 90 -4.708 -7.851 -0.824 1.00 0.47 O ATOM 763 CB TYR A 90 -6.099 -5.109 -2.029 1.00 1.04 C ATOM 764 CG TYR A 90 -6.997 -3.906 -1.857 1.00 0.95 C ATOM 765 CD1 TYR A 90 -7.237 -3.385 -0.596 1.00 1.32 C ATOM 766 CD2 TYR A 90 -7.614 -3.303 -2.941 1.00 1.70 C ATOM 767 CE1 TYR A 90 -8.062 -2.296 -0.423 1.00 2.07 C ATOM 768 CE2 TYR A 90 -8.437 -2.212 -2.774 1.00 2.40 C ATOM 769 CZ TYR A 90 -8.628 -1.684 -1.573 1.00 2.47 C ATOM 770 OH TYR A 90 -9.469 -0.621 -1.346 1.00 3.42 O ATOM 0 H TYR A 90 -5.708 -5.972 0.590 1.00 0.45 H new ATOM 0 HA TYR A 90 -7.549 -6.646 -1.615 1.00 0.69 H new ATOM 0 HB2 TYR A 90 -5.098 -4.845 -1.688 1.00 1.04 H new ATOM 0 HB3 TYR A 90 -6.024 -5.335 -3.093 1.00 1.04 H new ATOM 0 HD1 TYR A 90 -6.770 -3.840 0.265 1.00 1.32 H new ATOM 0 HD2 TYR A 90 -7.447 -3.695 -3.933 1.00 1.70 H new ATOM 0 HE1 TYR A 90 -8.274 -1.916 0.565 1.00 2.07 H new ATOM 0 HE2 TYR A 90 -8.933 -1.781 -3.631 1.00 2.40 H new ATOM 0 HH TYR A 90 -9.916 -0.736 -0.481 1.00 3.42 H new ATOM 780 N ASN A 91 -5.669 -8.012 -2.847 1.00 0.67 N ATOM 781 CA ASN A 91 -4.760 -9.045 -3.321 1.00 0.59 C ATOM 782 C ASN A 91 -4.093 -8.582 -4.609 1.00 0.49 C ATOM 783 O ASN A 91 -4.676 -7.810 -5.374 1.00 0.69 O ATOM 784 CB ASN A 91 -5.521 -10.347 -3.568 1.00 0.85 C ATOM 785 CG ASN A 91 -4.608 -11.545 -3.754 1.00 1.27 C ATOM 786 OD1 ASN A 91 -4.199 -11.864 -4.870 1.00 1.58 O ATOM 787 ND2 ASN A 91 -4.289 -12.222 -2.662 1.00 2.04 N ATOM 0 H ASN A 91 -6.382 -7.737 -3.523 1.00 0.67 H new ATOM 0 HA ASN A 91 -3.998 -9.225 -2.562 1.00 0.59 H new ATOM 0 HB2 ASN A 91 -6.190 -10.535 -2.728 1.00 0.85 H new ATOM 0 HB3 ASN A 91 -6.146 -10.233 -4.454 1.00 0.85 H new ATOM 0 HD21 ASN A 91 -3.684 -13.040 -2.728 1.00 2.04 H new ATOM 0 HD22 ASN A 91 -4.649 -11.925 -1.755 1.00 2.04 H new ATOM 794 N GLY A 92 -2.884 -9.051 -4.849 1.00 0.40 N ATOM 795 CA GLY A 92 -2.158 -8.663 -6.040 1.00 0.41 C ATOM 796 C GLY A 92 -1.084 -7.631 -5.759 1.00 0.33 C ATOM 797 O GLY A 92 -0.641 -7.470 -4.621 1.00 0.47 O ATOM 0 H GLY A 92 -2.386 -9.698 -4.238 1.00 0.40 H new ATOM 0 HA2 GLY A 92 -1.700 -9.546 -6.485 1.00 0.41 H new ATOM 0 HA3 GLY A 92 -2.858 -8.263 -6.773 1.00 0.41 H new ATOM 801 N LYS A 93 -0.666 -6.932 -6.804 1.00 0.40 N ATOM 802 CA LYS A 93 0.388 -5.936 -6.701 1.00 0.35 C ATOM 803 C LYS A 93 -0.171 -4.558 -6.388 1.00 0.35 C ATOM 804 O LYS A 93 -1.332 -4.259 -6.679 1.00 0.47 O ATOM 805 CB LYS A 93 1.172 -5.897 -8.005 1.00 0.36 C ATOM 806 CG LYS A 93 1.946 -7.170 -8.241 1.00 0.39 C ATOM 807 CD LYS A 93 2.988 -7.359 -7.157 1.00 0.63 C ATOM 808 CE LYS A 93 3.882 -8.539 -7.442 1.00 1.42 C ATOM 809 NZ LYS A 93 3.129 -9.818 -7.537 1.00 2.03 N ATOM 0 H LYS A 93 -1.047 -7.039 -7.744 1.00 0.40 H new ATOM 0 HA LYS A 93 1.046 -6.218 -5.879 1.00 0.35 H new ATOM 0 HB2 LYS A 93 0.485 -5.732 -8.835 1.00 0.36 H new ATOM 0 HB3 LYS A 93 1.861 -5.052 -7.988 1.00 0.36 H new ATOM 0 HG2 LYS A 93 1.265 -8.021 -8.253 1.00 0.39 H new ATOM 0 HG3 LYS A 93 2.429 -7.135 -9.217 1.00 0.39 H new ATOM 0 HD2 LYS A 93 3.593 -6.456 -7.073 1.00 0.63 H new ATOM 0 HD3 LYS A 93 2.492 -7.502 -6.197 1.00 0.63 H new ATOM 0 HE2 LYS A 93 4.418 -8.367 -8.376 1.00 1.42 H new ATOM 0 HE3 LYS A 93 4.631 -8.621 -6.655 1.00 1.42 H new ATOM 0 HZ1 LYS A 93 3.798 -10.609 -7.632 1.00 2.03 H new ATOM 0 HZ2 LYS A 93 2.558 -9.949 -6.678 1.00 2.03 H new ATOM 0 HZ3 LYS A 93 2.504 -9.792 -8.368 1.00 2.03 H new ATOM 823 N VAL A 94 0.670 -3.730 -5.786 1.00 0.31 N ATOM 824 CA VAL A 94 0.311 -2.360 -5.457 1.00 0.29 C ATOM 825 C VAL A 94 0.294 -1.517 -6.726 1.00 0.28 C ATOM 826 O VAL A 94 1.263 -1.519 -7.481 1.00 0.30 O ATOM 827 CB VAL A 94 1.315 -1.740 -4.460 1.00 0.29 C ATOM 828 CG1 VAL A 94 0.796 -0.414 -3.928 1.00 0.32 C ATOM 829 CG2 VAL A 94 1.616 -2.697 -3.318 1.00 0.41 C ATOM 0 H VAL A 94 1.618 -3.989 -5.513 1.00 0.31 H new ATOM 0 HA VAL A 94 -0.676 -2.374 -4.996 1.00 0.29 H new ATOM 0 HB VAL A 94 2.246 -1.554 -4.995 1.00 0.29 H new ATOM 0 HG11 VAL A 94 1.519 0.005 -3.228 1.00 0.32 H new ATOM 0 HG12 VAL A 94 0.650 0.279 -4.757 1.00 0.32 H new ATOM 0 HG13 VAL A 94 -0.154 -0.573 -3.417 1.00 0.32 H new ATOM 0 HG21 VAL A 94 2.325 -2.234 -2.632 1.00 0.41 H new ATOM 0 HG22 VAL A 94 0.694 -2.928 -2.785 1.00 0.41 H new ATOM 0 HG23 VAL A 94 2.045 -3.616 -3.717 1.00 0.41 H new ATOM 839 N PRO A 95 -0.802 -0.796 -6.988 1.00 0.27 N ATOM 840 CA PRO A 95 -0.916 0.023 -8.186 1.00 0.28 C ATOM 841 C PRO A 95 -0.011 1.243 -8.140 1.00 0.25 C ATOM 842 O PRO A 95 0.418 1.661 -7.064 1.00 0.27 O ATOM 843 CB PRO A 95 -2.377 0.451 -8.213 1.00 0.33 C ATOM 844 CG PRO A 95 -2.837 0.354 -6.806 1.00 0.33 C ATOM 845 CD PRO A 95 -2.003 -0.712 -6.144 1.00 0.30 C ATOM 0 HA PRO A 95 -0.612 -0.531 -9.074 1.00 0.28 H new ATOM 0 HB2 PRO A 95 -2.483 1.467 -8.593 1.00 0.33 H new ATOM 0 HB3 PRO A 95 -2.965 -0.195 -8.865 1.00 0.33 H new ATOM 0 HG2 PRO A 95 -2.719 1.309 -6.295 1.00 0.33 H new ATOM 0 HG3 PRO A 95 -3.896 0.098 -6.763 1.00 0.33 H new ATOM 0 HD2 PRO A 95 -1.752 -0.443 -5.118 1.00 0.30 H new ATOM 0 HD3 PRO A 95 -2.531 -1.665 -6.104 1.00 0.30 H new ATOM 853 N TYR A 96 0.264 1.807 -9.299 1.00 0.26 N ATOM 854 CA TYR A 96 1.188 2.928 -9.419 1.00 0.27 C ATOM 855 C TYR A 96 0.800 4.064 -8.469 1.00 0.26 C ATOM 856 O TYR A 96 1.643 4.595 -7.737 1.00 0.30 O ATOM 857 CB TYR A 96 1.185 3.426 -10.872 1.00 0.33 C ATOM 858 CG TYR A 96 2.441 4.160 -11.293 1.00 0.38 C ATOM 859 CD1 TYR A 96 3.154 4.940 -10.398 1.00 0.30 C ATOM 860 CD2 TYR A 96 2.909 4.071 -12.598 1.00 0.61 C ATOM 861 CE1 TYR A 96 4.293 5.610 -10.782 1.00 0.35 C ATOM 862 CE2 TYR A 96 4.051 4.739 -12.992 1.00 0.68 C ATOM 863 CZ TYR A 96 4.739 5.508 -12.080 1.00 0.51 C ATOM 864 OH TYR A 96 5.877 6.176 -12.466 1.00 0.59 O ATOM 0 H TYR A 96 -0.143 1.506 -10.184 1.00 0.26 H new ATOM 0 HA TYR A 96 2.189 2.594 -9.145 1.00 0.27 H new ATOM 0 HB2 TYR A 96 1.041 2.572 -11.534 1.00 0.33 H new ATOM 0 HB3 TYR A 96 0.330 4.087 -11.013 1.00 0.33 H new ATOM 0 HD1 TYR A 96 2.809 5.024 -9.378 1.00 0.30 H new ATOM 0 HD2 TYR A 96 2.371 3.470 -13.316 1.00 0.61 H new ATOM 0 HE1 TYR A 96 4.834 6.213 -10.068 1.00 0.35 H new ATOM 0 HE2 TYR A 96 4.403 4.659 -14.010 1.00 0.68 H new ATOM 0 HH TYR A 96 6.055 5.998 -13.413 1.00 0.59 H new ATOM 874 N ASP A 97 -0.483 4.393 -8.442 1.00 0.28 N ATOM 875 CA ASP A 97 -0.942 5.577 -7.724 1.00 0.33 C ATOM 876 C ASP A 97 -1.419 5.250 -6.308 1.00 0.32 C ATOM 877 O ASP A 97 -2.063 6.078 -5.666 1.00 0.38 O ATOM 878 CB ASP A 97 -2.067 6.272 -8.500 1.00 0.43 C ATOM 879 CG ASP A 97 -3.320 5.425 -8.615 1.00 1.07 C ATOM 880 OD1 ASP A 97 -3.386 4.560 -9.516 1.00 1.82 O ATOM 881 OD2 ASP A 97 -4.245 5.615 -7.797 1.00 1.07 O ATOM 0 H ASP A 97 -1.221 3.863 -8.905 1.00 0.28 H new ATOM 0 HA ASP A 97 -0.086 6.247 -7.639 1.00 0.33 H new ATOM 0 HB2 ASP A 97 -2.315 7.212 -8.006 1.00 0.43 H new ATOM 0 HB3 ASP A 97 -1.711 6.521 -9.500 1.00 0.43 H new ATOM 886 N ALA A 98 -1.101 4.062 -5.815 1.00 0.27 N ATOM 887 CA ALA A 98 -1.465 3.703 -4.448 1.00 0.27 C ATOM 888 C ALA A 98 -0.621 4.474 -3.454 1.00 0.26 C ATOM 889 O ALA A 98 0.557 4.730 -3.693 1.00 0.40 O ATOM 890 CB ALA A 98 -1.313 2.213 -4.211 1.00 0.30 C ATOM 0 H ALA A 98 -0.599 3.338 -6.330 1.00 0.27 H new ATOM 0 HA ALA A 98 -2.513 3.966 -4.304 1.00 0.27 H new ATOM 0 HB1 ALA A 98 -1.592 1.978 -3.184 1.00 0.30 H new ATOM 0 HB2 ALA A 98 -1.961 1.668 -4.897 1.00 0.30 H new ATOM 0 HB3 ALA A 98 -0.277 1.921 -4.382 1.00 0.30 H new ATOM 896 N ILE A 99 -1.244 4.844 -2.350 1.00 0.18 N ATOM 897 CA ILE A 99 -0.597 5.607 -1.299 1.00 0.17 C ATOM 898 C ILE A 99 -0.099 4.651 -0.219 1.00 0.16 C ATOM 899 O ILE A 99 -0.747 3.646 0.058 1.00 0.16 O ATOM 900 CB ILE A 99 -1.600 6.615 -0.695 1.00 0.21 C ATOM 901 CG1 ILE A 99 -2.238 7.442 -1.813 1.00 0.21 C ATOM 902 CG2 ILE A 99 -0.939 7.522 0.332 1.00 0.26 C ATOM 903 CD1 ILE A 99 -1.242 8.132 -2.714 1.00 0.29 C ATOM 0 H ILE A 99 -2.220 4.622 -2.156 1.00 0.18 H new ATOM 0 HA ILE A 99 0.249 6.157 -1.711 1.00 0.17 H new ATOM 0 HB ILE A 99 -2.375 6.052 -0.176 1.00 0.21 H new ATOM 0 HG12 ILE A 99 -2.869 6.790 -2.418 1.00 0.21 H new ATOM 0 HG13 ILE A 99 -2.890 8.193 -1.368 1.00 0.21 H new ATOM 0 HG21 ILE A 99 -1.677 8.216 0.733 1.00 0.26 H new ATOM 0 HG22 ILE A 99 -0.531 6.918 1.142 1.00 0.26 H new ATOM 0 HG23 ILE A 99 -0.134 8.083 -0.143 1.00 0.26 H new ATOM 0 HD11 ILE A 99 -1.774 8.697 -3.480 1.00 0.29 H new ATOM 0 HD12 ILE A 99 -0.627 8.811 -2.124 1.00 0.29 H new ATOM 0 HD13 ILE A 99 -0.605 7.387 -3.190 1.00 0.29 H new ATOM 915 N ILE A 100 1.050 4.935 0.367 1.00 0.17 N ATOM 916 CA ILE A 100 1.627 4.048 1.365 1.00 0.18 C ATOM 917 C ILE A 100 1.710 4.719 2.732 1.00 0.18 C ATOM 918 O ILE A 100 1.887 5.931 2.834 1.00 0.20 O ATOM 919 CB ILE A 100 3.040 3.601 0.946 1.00 0.20 C ATOM 920 CG1 ILE A 100 3.009 2.964 -0.444 1.00 0.21 C ATOM 921 CG2 ILE A 100 3.613 2.626 1.965 1.00 0.22 C ATOM 922 CD1 ILE A 100 2.334 1.609 -0.489 1.00 0.23 C ATOM 0 H ILE A 100 1.602 5.770 0.171 1.00 0.17 H new ATOM 0 HA ILE A 100 0.970 3.181 1.436 1.00 0.18 H new ATOM 0 HB ILE A 100 3.683 4.480 0.909 1.00 0.20 H new ATOM 0 HG12 ILE A 100 2.494 3.637 -1.129 1.00 0.21 H new ATOM 0 HG13 ILE A 100 4.031 2.861 -0.807 1.00 0.21 H new ATOM 0 HG21 ILE A 100 4.612 2.320 1.654 1.00 0.22 H new ATOM 0 HG22 ILE A 100 3.669 3.110 2.940 1.00 0.22 H new ATOM 0 HG23 ILE A 100 2.969 1.749 2.032 1.00 0.22 H new ATOM 0 HD11 ILE A 100 2.354 1.226 -1.509 1.00 0.23 H new ATOM 0 HD12 ILE A 100 2.861 0.918 0.168 1.00 0.23 H new ATOM 0 HD13 ILE A 100 1.300 1.706 -0.158 1.00 0.23 H new ATOM 934 N SER A 101 1.561 3.917 3.775 1.00 0.20 N ATOM 935 CA SER A 101 1.763 4.368 5.139 1.00 0.20 C ATOM 936 C SER A 101 3.253 4.552 5.416 1.00 0.20 C ATOM 937 O SER A 101 4.090 3.776 4.949 1.00 0.23 O ATOM 938 CB SER A 101 1.172 3.342 6.105 1.00 0.22 C ATOM 939 OG SER A 101 1.467 3.668 7.454 1.00 0.89 O ATOM 0 H SER A 101 1.296 2.935 3.697 1.00 0.20 H new ATOM 0 HA SER A 101 1.263 5.326 5.280 1.00 0.20 H new ATOM 0 HB2 SER A 101 0.092 3.293 5.969 1.00 0.22 H new ATOM 0 HB3 SER A 101 1.567 2.353 5.874 1.00 0.22 H new ATOM 0 HG SER A 101 1.074 2.994 8.047 1.00 0.89 H new ATOM 945 N GLU A 102 3.563 5.579 6.201 1.00 0.20 N ATOM 946 CA GLU A 102 4.937 5.950 6.520 1.00 0.21 C ATOM 947 C GLU A 102 5.661 4.819 7.244 1.00 0.24 C ATOM 948 O GLU A 102 6.887 4.730 7.200 1.00 0.29 O ATOM 949 CB GLU A 102 4.931 7.231 7.367 1.00 0.25 C ATOM 950 CG GLU A 102 4.366 7.043 8.773 1.00 0.31 C ATOM 951 CD GLU A 102 5.421 7.041 9.865 1.00 0.94 C ATOM 952 OE1 GLU A 102 6.572 6.654 9.569 1.00 1.22 O ATOM 953 OE2 GLU A 102 5.109 7.412 11.016 1.00 1.71 O ATOM 0 H GLU A 102 2.864 6.181 6.636 1.00 0.20 H new ATOM 0 HA GLU A 102 5.479 6.136 5.592 1.00 0.21 H new ATOM 0 HB2 GLU A 102 5.951 7.608 7.444 1.00 0.25 H new ATOM 0 HB3 GLU A 102 4.347 7.993 6.851 1.00 0.25 H new ATOM 0 HG2 GLU A 102 3.649 7.839 8.975 1.00 0.31 H new ATOM 0 HG3 GLU A 102 3.817 6.102 8.810 1.00 0.31 H new ATOM 960 N GLU A 103 4.892 3.951 7.893 1.00 0.27 N ATOM 961 CA GLU A 103 5.442 2.809 8.600 1.00 0.34 C ATOM 962 C GLU A 103 6.060 1.795 7.647 1.00 0.31 C ATOM 963 O GLU A 103 6.917 1.001 8.036 1.00 0.41 O ATOM 964 CB GLU A 103 4.360 2.158 9.427 1.00 0.43 C ATOM 965 CG GLU A 103 4.154 2.867 10.741 1.00 0.67 C ATOM 966 CD GLU A 103 5.139 2.427 11.803 1.00 1.15 C ATOM 967 OE1 GLU A 103 6.302 2.885 11.767 1.00 1.48 O ATOM 968 OE2 GLU A 103 4.766 1.615 12.674 1.00 1.42 O ATOM 0 H GLU A 103 3.876 4.022 7.941 1.00 0.27 H new ATOM 0 HA GLU A 103 6.238 3.167 9.252 1.00 0.34 H new ATOM 0 HB2 GLU A 103 3.426 2.155 8.865 1.00 0.43 H new ATOM 0 HB3 GLU A 103 4.623 1.117 9.614 1.00 0.43 H new ATOM 0 HG2 GLU A 103 4.248 3.942 10.588 1.00 0.67 H new ATOM 0 HG3 GLU A 103 3.139 2.682 11.094 1.00 0.67 H new ATOM 975 N LEU A 104 5.629 1.827 6.399 1.00 0.23 N ATOM 976 CA LEU A 104 6.121 0.889 5.405 1.00 0.25 C ATOM 977 C LEU A 104 7.318 1.452 4.662 1.00 0.27 C ATOM 978 O LEU A 104 7.897 0.779 3.817 1.00 0.29 O ATOM 979 CB LEU A 104 5.020 0.524 4.421 1.00 0.27 C ATOM 980 CG LEU A 104 3.903 -0.328 5.001 1.00 0.28 C ATOM 981 CD1 LEU A 104 2.814 -0.545 3.968 1.00 0.33 C ATOM 982 CD2 LEU A 104 4.460 -1.657 5.471 1.00 0.30 C ATOM 0 H LEU A 104 4.939 2.492 6.049 1.00 0.23 H new ATOM 0 HA LEU A 104 6.438 -0.012 5.930 1.00 0.25 H new ATOM 0 HB2 LEU A 104 4.588 1.443 4.024 1.00 0.27 H new ATOM 0 HB3 LEU A 104 5.465 -0.009 3.581 1.00 0.27 H new ATOM 0 HG LEU A 104 3.467 0.193 5.854 1.00 0.28 H new ATOM 0 HD11 LEU A 104 2.021 -1.157 4.398 1.00 0.33 H new ATOM 0 HD12 LEU A 104 2.404 0.418 3.663 1.00 0.33 H new ATOM 0 HD13 LEU A 104 3.233 -1.052 3.099 1.00 0.33 H new ATOM 0 HD21 LEU A 104 3.654 -2.263 5.886 1.00 0.30 H new ATOM 0 HD22 LEU A 104 4.911 -2.181 4.628 1.00 0.30 H new ATOM 0 HD23 LEU A 104 5.215 -1.484 6.238 1.00 0.30 H new ATOM 994 N LEU A 105 7.691 2.683 4.977 1.00 0.43 N ATOM 995 CA LEU A 105 8.852 3.289 4.371 1.00 0.54 C ATOM 996 C LEU A 105 10.099 2.500 4.685 1.00 0.46 C ATOM 997 O LEU A 105 10.236 1.910 5.761 1.00 0.53 O ATOM 998 CB LEU A 105 9.012 4.727 4.834 1.00 0.88 C ATOM 999 CG LEU A 105 8.116 5.718 4.116 1.00 0.30 C ATOM 1000 CD1 LEU A 105 8.402 7.128 4.583 1.00 1.01 C ATOM 1001 CD2 LEU A 105 8.336 5.602 2.626 1.00 1.09 C ATOM 0 H LEU A 105 7.203 3.276 5.648 1.00 0.43 H new ATOM 0 HA LEU A 105 8.705 3.285 3.291 1.00 0.54 H new ATOM 0 HB2 LEU A 105 8.806 4.777 5.903 1.00 0.88 H new ATOM 0 HB3 LEU A 105 10.051 5.027 4.695 1.00 0.88 H new ATOM 0 HG LEU A 105 7.075 5.491 4.346 1.00 0.30 H new ATOM 0 HD11 LEU A 105 7.750 7.825 4.057 1.00 1.01 H new ATOM 0 HD12 LEU A 105 8.220 7.200 5.655 1.00 1.01 H new ATOM 0 HD13 LEU A 105 9.442 7.377 4.374 1.00 1.01 H new ATOM 0 HD21 LEU A 105 7.693 6.313 2.107 1.00 1.09 H new ATOM 0 HD22 LEU A 105 9.379 5.819 2.394 1.00 1.09 H new ATOM 0 HD23 LEU A 105 8.095 4.590 2.300 1.00 1.09 H new ATOM 1013 N MET A 106 10.995 2.486 3.724 1.00 0.41 N ATOM 1014 CA MET A 106 12.229 1.753 3.845 1.00 0.45 C ATOM 1015 C MET A 106 13.127 2.357 4.914 1.00 0.92 C ATOM 1016 O MET A 106 13.103 3.562 5.176 1.00 1.28 O ATOM 1017 CB MET A 106 12.961 1.712 2.500 1.00 0.27 C ATOM 1018 CG MET A 106 14.383 1.177 2.601 1.00 0.30 C ATOM 1019 SD MET A 106 14.451 -0.437 3.414 1.00 1.05 S ATOM 1020 CE MET A 106 14.961 -1.477 2.065 1.00 0.50 C ATOM 0 H MET A 106 10.887 2.982 2.839 1.00 0.41 H new ATOM 0 HA MET A 106 11.984 0.734 4.145 1.00 0.45 H new ATOM 0 HB2 MET A 106 12.395 1.090 1.806 1.00 0.27 H new ATOM 0 HB3 MET A 106 12.988 2.717 2.079 1.00 0.27 H new ATOM 0 HG2 MET A 106 14.811 1.097 1.602 1.00 0.30 H new ATOM 0 HG3 MET A 106 14.998 1.887 3.155 1.00 0.30 H new ATOM 0 HE1 MET A 106 14.393 -2.407 2.088 1.00 0.50 H new ATOM 0 HE2 MET A 106 14.779 -0.964 1.121 1.00 0.50 H new ATOM 0 HE3 MET A 106 16.024 -1.699 2.158 1.00 0.50 H new ATOM 1092 N TYR A 111 20.560 2.558 2.514 1.00 0.95 N ATOM 1093 CA TYR A 111 20.141 1.475 1.643 1.00 0.70 C ATOM 1094 C TYR A 111 19.950 2.003 0.232 1.00 0.60 C ATOM 1095 O TYR A 111 19.475 3.122 0.035 1.00 0.80 O ATOM 1096 CB TYR A 111 18.822 0.861 2.125 1.00 0.70 C ATOM 1097 CG TYR A 111 18.322 -0.262 1.237 1.00 0.76 C ATOM 1098 CD1 TYR A 111 18.809 -1.558 1.363 1.00 0.94 C ATOM 1099 CD2 TYR A 111 17.356 -0.019 0.272 1.00 0.89 C ATOM 1100 CE1 TYR A 111 18.348 -2.577 0.548 1.00 1.18 C ATOM 1101 CE2 TYR A 111 16.890 -1.035 -0.544 1.00 1.12 C ATOM 1102 CZ TYR A 111 17.389 -2.308 -0.405 1.00 1.23 C ATOM 1103 OH TYR A 111 16.929 -3.309 -1.231 1.00 1.57 O ATOM 0 HA TYR A 111 20.914 0.707 1.659 1.00 0.70 H new ATOM 0 HB2 TYR A 111 18.955 0.482 3.138 1.00 0.70 H new ATOM 0 HB3 TYR A 111 18.063 1.641 2.174 1.00 0.70 H new ATOM 0 HD1 TYR A 111 19.559 -1.773 2.109 1.00 0.94 H new ATOM 0 HD2 TYR A 111 16.961 0.979 0.155 1.00 0.89 H new ATOM 0 HE1 TYR A 111 18.738 -3.578 0.658 1.00 1.18 H new ATOM 0 HE2 TYR A 111 16.136 -0.828 -1.289 1.00 1.12 H new ATOM 0 HH TYR A 111 17.171 -4.181 -0.855 1.00 1.57 H new ATOM 1113 N GLN A 112 20.317 1.198 -0.741 1.00 0.53 N ATOM 1114 CA GLN A 112 20.120 1.554 -2.125 1.00 0.55 C ATOM 1115 C GLN A 112 19.196 0.554 -2.798 1.00 0.45 C ATOM 1116 O GLN A 112 19.354 -0.658 -2.632 1.00 0.47 O ATOM 1117 CB GLN A 112 21.466 1.618 -2.825 1.00 0.70 C ATOM 1118 CG GLN A 112 22.348 2.748 -2.332 1.00 1.30 C ATOM 1119 CD GLN A 112 23.737 2.720 -2.935 1.00 1.42 C ATOM 1120 OE1 GLN A 112 24.650 2.100 -2.388 1.00 1.64 O ATOM 1121 NE2 GLN A 112 23.906 3.389 -4.062 1.00 2.05 N ATOM 0 H GLN A 112 20.755 0.289 -0.596 1.00 0.53 H new ATOM 0 HA GLN A 112 19.649 2.535 -2.188 1.00 0.55 H new ATOM 0 HB2 GLN A 112 21.987 0.671 -2.682 1.00 0.70 H new ATOM 0 HB3 GLN A 112 21.305 1.734 -3.897 1.00 0.70 H new ATOM 0 HG2 GLN A 112 21.874 3.701 -2.568 1.00 1.30 H new ATOM 0 HG3 GLN A 112 22.428 2.692 -1.246 1.00 1.30 H new ATOM 0 HE21 GLN A 112 23.122 3.889 -4.481 1.00 2.05 H new ATOM 0 HE22 GLN A 112 24.821 3.405 -4.513 1.00 2.05 H new ATOM 1130 N LEU A 113 18.235 1.083 -3.552 1.00 0.40 N ATOM 1131 CA LEU A 113 17.174 0.295 -4.160 1.00 0.33 C ATOM 1132 C LEU A 113 17.728 -0.894 -4.937 1.00 0.36 C ATOM 1133 O LEU A 113 18.352 -0.736 -5.988 1.00 0.43 O ATOM 1134 CB LEU A 113 16.344 1.194 -5.077 1.00 0.32 C ATOM 1135 CG LEU A 113 15.194 0.506 -5.807 1.00 0.30 C ATOM 1136 CD1 LEU A 113 14.121 0.075 -4.824 1.00 0.25 C ATOM 1137 CD2 LEU A 113 14.611 1.427 -6.860 1.00 0.35 C ATOM 0 H LEU A 113 18.173 2.080 -3.758 1.00 0.40 H new ATOM 0 HA LEU A 113 16.543 -0.106 -3.367 1.00 0.33 H new ATOM 0 HB2 LEU A 113 15.936 2.012 -4.483 1.00 0.32 H new ATOM 0 HB3 LEU A 113 17.008 1.639 -5.819 1.00 0.32 H new ATOM 0 HG LEU A 113 15.582 -0.384 -6.302 1.00 0.30 H new ATOM 0 HD11 LEU A 113 13.309 -0.414 -5.363 1.00 0.25 H new ATOM 0 HD12 LEU A 113 14.548 -0.621 -4.102 1.00 0.25 H new ATOM 0 HD13 LEU A 113 13.734 0.950 -4.301 1.00 0.25 H new ATOM 0 HD21 LEU A 113 13.792 0.922 -7.372 1.00 0.35 H new ATOM 0 HD22 LEU A 113 14.237 2.334 -6.384 1.00 0.35 H new ATOM 0 HD23 LEU A 113 15.384 1.689 -7.583 1.00 0.35 H new ATOM 1149 N LYS A 114 17.497 -2.082 -4.400 1.00 0.40 N ATOM 1150 CA LYS A 114 17.959 -3.313 -5.017 1.00 0.47 C ATOM 1151 C LYS A 114 16.911 -3.859 -5.966 1.00 0.37 C ATOM 1152 O LYS A 114 15.789 -4.164 -5.565 1.00 0.33 O ATOM 1153 CB LYS A 114 18.298 -4.344 -3.945 1.00 0.63 C ATOM 1154 CG LYS A 114 18.616 -5.724 -4.475 1.00 0.90 C ATOM 1155 CD LYS A 114 19.934 -5.758 -5.239 1.00 1.14 C ATOM 1156 CE LYS A 114 21.122 -6.064 -4.334 1.00 1.51 C ATOM 1157 NZ LYS A 114 21.280 -5.076 -3.234 1.00 2.09 N ATOM 0 H LYS A 114 16.986 -2.219 -3.528 1.00 0.40 H new ATOM 0 HA LYS A 114 18.860 -3.097 -5.591 1.00 0.47 H new ATOM 0 HB2 LYS A 114 19.152 -3.984 -3.371 1.00 0.63 H new ATOM 0 HB3 LYS A 114 17.458 -4.419 -3.254 1.00 0.63 H new ATOM 0 HG2 LYS A 114 18.661 -6.429 -3.645 1.00 0.90 H new ATOM 0 HG3 LYS A 114 17.810 -6.054 -5.130 1.00 0.90 H new ATOM 0 HD2 LYS A 114 19.876 -6.511 -6.025 1.00 1.14 H new ATOM 0 HD3 LYS A 114 20.092 -4.797 -5.729 1.00 1.14 H new ATOM 0 HE2 LYS A 114 21.000 -7.059 -3.907 1.00 1.51 H new ATOM 0 HE3 LYS A 114 22.033 -6.083 -4.932 1.00 1.51 H new ATOM 0 HZ1 LYS A 114 22.175 -5.253 -2.734 1.00 2.09 H new ATOM 0 HZ2 LYS A 114 21.288 -4.114 -3.630 1.00 2.09 H new ATOM 0 HZ3 LYS A 114 20.487 -5.169 -2.567 1.00 2.09 H new ATOM 1171 N ASP A 115 17.298 -3.992 -7.224 1.00 0.40 N ATOM 1172 CA ASP A 115 16.417 -4.499 -8.270 1.00 0.41 C ATOM 1173 C ASP A 115 16.006 -5.933 -7.973 1.00 0.38 C ATOM 1174 O ASP A 115 14.949 -6.393 -8.402 1.00 0.42 O ATOM 1175 CB ASP A 115 17.121 -4.413 -9.629 1.00 0.53 C ATOM 1176 CG ASP A 115 16.311 -5.013 -10.762 1.00 1.12 C ATOM 1177 OD1 ASP A 115 15.428 -4.316 -11.306 1.00 1.11 O ATOM 1178 OD2 ASP A 115 16.577 -6.174 -11.134 1.00 1.88 O ATOM 0 H ASP A 115 18.233 -3.752 -7.552 1.00 0.40 H new ATOM 0 HA ASP A 115 15.516 -3.886 -8.299 1.00 0.41 H new ATOM 0 HB2 ASP A 115 17.332 -3.368 -9.856 1.00 0.53 H new ATOM 0 HB3 ASP A 115 18.081 -4.926 -9.566 1.00 0.53 H new ATOM 1183 N SER A 116 16.840 -6.621 -7.207 1.00 0.38 N ATOM 1184 CA SER A 116 16.569 -8.000 -6.825 1.00 0.44 C ATOM 1185 C SER A 116 15.545 -8.055 -5.687 1.00 0.40 C ATOM 1186 O SER A 116 14.953 -9.104 -5.418 1.00 0.51 O ATOM 1187 CB SER A 116 17.875 -8.690 -6.408 1.00 0.54 C ATOM 1188 OG SER A 116 17.679 -10.072 -6.161 1.00 0.92 O ATOM 0 H SER A 116 17.713 -6.246 -6.836 1.00 0.38 H new ATOM 0 HA SER A 116 16.149 -8.526 -7.682 1.00 0.44 H new ATOM 0 HB2 SER A 116 18.621 -8.562 -7.192 1.00 0.54 H new ATOM 0 HB3 SER A 116 18.270 -8.212 -5.511 1.00 0.54 H new ATOM 0 HG SER A 116 18.530 -10.481 -5.899 1.00 0.92 H new ATOM 1194 N ASP A 117 15.322 -6.920 -5.033 1.00 0.28 N ATOM 1195 CA ASP A 117 14.382 -6.855 -3.919 1.00 0.28 C ATOM 1196 C ASP A 117 13.068 -6.228 -4.362 1.00 0.22 C ATOM 1197 O ASP A 117 12.025 -6.442 -3.745 1.00 0.24 O ATOM 1198 CB ASP A 117 14.966 -6.060 -2.743 1.00 0.34 C ATOM 1199 CG ASP A 117 16.035 -6.823 -1.977 1.00 1.08 C ATOM 1200 OD1 ASP A 117 16.000 -8.072 -1.973 1.00 1.90 O ATOM 1201 OD2 ASP A 117 16.917 -6.178 -1.369 1.00 1.04 O ATOM 0 H ASP A 117 15.778 -6.035 -5.254 1.00 0.28 H new ATOM 0 HA ASP A 117 14.196 -7.876 -3.586 1.00 0.28 H new ATOM 0 HB2 ASP A 117 15.391 -5.129 -3.118 1.00 0.34 H new ATOM 0 HB3 ASP A 117 14.161 -5.790 -2.059 1.00 0.34 H new ATOM 1206 N ILE A 118 13.128 -5.453 -5.437 1.00 0.23 N ATOM 1207 CA ILE A 118 11.946 -4.804 -5.983 1.00 0.22 C ATOM 1208 C ILE A 118 10.923 -5.826 -6.439 1.00 0.26 C ATOM 1209 O ILE A 118 11.233 -6.735 -7.207 1.00 0.34 O ATOM 1210 CB ILE A 118 12.299 -3.903 -7.181 1.00 0.26 C ATOM 1211 CG1 ILE A 118 13.304 -2.837 -6.765 1.00 0.26 C ATOM 1212 CG2 ILE A 118 11.043 -3.256 -7.749 1.00 0.31 C ATOM 1213 CD1 ILE A 118 13.952 -2.133 -7.935 1.00 0.32 C ATOM 0 H ILE A 118 13.988 -5.259 -5.950 1.00 0.23 H new ATOM 0 HA ILE A 118 11.528 -4.195 -5.182 1.00 0.22 H new ATOM 0 HB ILE A 118 12.750 -4.521 -7.957 1.00 0.26 H new ATOM 0 HG12 ILE A 118 12.802 -2.099 -6.140 1.00 0.26 H new ATOM 0 HG13 ILE A 118 14.079 -3.298 -6.153 1.00 0.26 H new ATOM 0 HG21 ILE A 118 11.311 -2.623 -8.595 1.00 0.31 H new ATOM 0 HG22 ILE A 118 10.352 -4.031 -8.080 1.00 0.31 H new ATOM 0 HG23 ILE A 118 10.566 -2.650 -6.979 1.00 0.31 H new ATOM 0 HD11 ILE A 118 14.656 -1.387 -7.566 1.00 0.32 H new ATOM 0 HD12 ILE A 118 14.483 -2.861 -8.549 1.00 0.32 H new ATOM 0 HD13 ILE A 118 13.185 -1.643 -8.535 1.00 0.32 H new ATOM 1225 N VAL A 119 9.710 -5.684 -5.942 1.00 0.24 N ATOM 1226 CA VAL A 119 8.613 -6.498 -6.401 1.00 0.31 C ATOM 1227 C VAL A 119 7.759 -5.694 -7.381 1.00 0.27 C ATOM 1228 O VAL A 119 7.276 -6.221 -8.385 1.00 0.31 O ATOM 1229 CB VAL A 119 7.737 -6.987 -5.230 1.00 0.36 C ATOM 1230 CG1 VAL A 119 6.726 -7.995 -5.729 1.00 0.47 C ATOM 1231 CG2 VAL A 119 8.583 -7.583 -4.113 1.00 0.38 C ATOM 0 H VAL A 119 9.464 -5.009 -5.218 1.00 0.24 H new ATOM 0 HA VAL A 119 9.028 -7.376 -6.896 1.00 0.31 H new ATOM 0 HB VAL A 119 7.209 -6.127 -4.817 1.00 0.36 H new ATOM 0 HG11 VAL A 119 6.111 -8.336 -4.896 1.00 0.47 H new ATOM 0 HG12 VAL A 119 6.091 -7.530 -6.483 1.00 0.47 H new ATOM 0 HG13 VAL A 119 7.247 -8.846 -6.168 1.00 0.47 H new ATOM 0 HG21 VAL A 119 7.934 -7.918 -3.304 1.00 0.38 H new ATOM 0 HG22 VAL A 119 9.149 -8.431 -4.498 1.00 0.38 H new ATOM 0 HG23 VAL A 119 9.273 -6.828 -3.736 1.00 0.38 H new ATOM 1241 N ASN A 120 7.603 -4.406 -7.087 1.00 0.25 N ATOM 1242 CA ASN A 120 6.811 -3.508 -7.927 1.00 0.24 C ATOM 1243 C ASN A 120 7.231 -2.056 -7.689 1.00 0.23 C ATOM 1244 O ASN A 120 7.926 -1.751 -6.721 1.00 0.26 O ATOM 1245 CB ASN A 120 5.320 -3.704 -7.623 1.00 0.31 C ATOM 1246 CG ASN A 120 4.397 -2.866 -8.487 1.00 0.54 C ATOM 1247 OD1 ASN A 120 4.031 -3.260 -9.590 1.00 1.17 O ATOM 1248 ND2 ASN A 120 3.994 -1.715 -7.976 1.00 0.36 N ATOM 0 H ASN A 120 8.016 -3.958 -6.269 1.00 0.25 H new ATOM 0 HA ASN A 120 6.987 -3.742 -8.977 1.00 0.24 H new ATOM 0 HB2 ASN A 120 5.068 -4.756 -7.755 1.00 0.31 H new ATOM 0 HB3 ASN A 120 5.139 -3.462 -6.576 1.00 0.31 H new ATOM 0 HD21 ASN A 120 3.356 -1.119 -8.503 1.00 0.36 H new ATOM 0 HD22 ASN A 120 4.322 -1.423 -7.055 1.00 0.36 H new ATOM 1255 N GLU A 121 6.810 -1.172 -8.576 1.00 0.24 N ATOM 1256 CA GLU A 121 7.135 0.246 -8.479 1.00 0.25 C ATOM 1257 C GLU A 121 5.868 1.087 -8.411 1.00 0.25 C ATOM 1258 O GLU A 121 4.925 0.879 -9.178 1.00 0.32 O ATOM 1259 CB GLU A 121 7.982 0.683 -9.677 1.00 0.31 C ATOM 1260 CG GLU A 121 8.055 2.193 -9.869 1.00 0.35 C ATOM 1261 CD GLU A 121 8.413 2.578 -11.286 1.00 0.71 C ATOM 1262 OE1 GLU A 121 9.365 1.998 -11.849 1.00 1.17 O ATOM 1263 OE2 GLU A 121 7.726 3.454 -11.853 1.00 1.24 O ATOM 0 H GLU A 121 6.235 -1.413 -9.383 1.00 0.24 H new ATOM 0 HA GLU A 121 7.706 0.399 -7.563 1.00 0.25 H new ATOM 0 HB2 GLU A 121 8.993 0.294 -9.555 1.00 0.31 H new ATOM 0 HB3 GLU A 121 7.573 0.232 -10.581 1.00 0.31 H new ATOM 0 HG2 GLU A 121 7.094 2.637 -9.607 1.00 0.35 H new ATOM 0 HG3 GLU A 121 8.795 2.608 -9.185 1.00 0.35 H new ATOM 1270 N ILE A 122 5.857 2.035 -7.494 1.00 0.21 N ATOM 1271 CA ILE A 122 4.760 2.974 -7.364 1.00 0.23 C ATOM 1272 C ILE A 122 5.288 4.384 -7.590 1.00 0.26 C ATOM 1273 O ILE A 122 6.455 4.554 -7.940 1.00 0.25 O ATOM 1274 CB ILE A 122 4.056 2.863 -5.999 1.00 0.26 C ATOM 1275 CG1 ILE A 122 5.041 3.118 -4.857 1.00 0.27 C ATOM 1276 CG2 ILE A 122 3.411 1.491 -5.855 1.00 0.27 C ATOM 1277 CD1 ILE A 122 4.456 2.871 -3.489 1.00 0.31 C ATOM 0 H ILE A 122 6.608 2.176 -6.818 1.00 0.21 H new ATOM 0 HA ILE A 122 4.009 2.734 -8.117 1.00 0.23 H new ATOM 0 HB ILE A 122 3.277 3.624 -5.947 1.00 0.26 H new ATOM 0 HG12 ILE A 122 5.913 2.478 -4.991 1.00 0.27 H new ATOM 0 HG13 ILE A 122 5.390 4.149 -4.913 1.00 0.27 H new ATOM 0 HG21 ILE A 122 2.916 1.422 -4.887 1.00 0.27 H new ATOM 0 HG22 ILE A 122 2.678 1.349 -6.649 1.00 0.27 H new ATOM 0 HG23 ILE A 122 4.177 0.719 -5.926 1.00 0.27 H new ATOM 0 HD11 ILE A 122 5.211 3.072 -2.729 1.00 0.31 H new ATOM 0 HD12 ILE A 122 3.601 3.530 -3.334 1.00 0.31 H new ATOM 0 HD13 ILE A 122 4.132 1.833 -3.414 1.00 0.31 H new ATOM 1289 N LYS A 123 4.445 5.387 -7.440 1.00 0.30 N ATOM 1290 CA LYS A 123 4.856 6.752 -7.709 1.00 0.34 C ATOM 1291 C LYS A 123 5.873 7.242 -6.691 1.00 0.36 C ATOM 1292 O LYS A 123 5.577 7.363 -5.507 1.00 0.42 O ATOM 1293 CB LYS A 123 3.643 7.672 -7.733 1.00 0.39 C ATOM 1294 CG LYS A 123 3.988 9.076 -8.160 1.00 0.48 C ATOM 1295 CD LYS A 123 2.838 9.747 -8.887 1.00 0.75 C ATOM 1296 CE LYS A 123 2.598 9.113 -10.245 1.00 1.35 C ATOM 1297 NZ LYS A 123 1.517 9.801 -10.996 1.00 2.15 N ATOM 0 H LYS A 123 3.477 5.284 -7.135 1.00 0.30 H new ATOM 0 HA LYS A 123 5.335 6.769 -8.688 1.00 0.34 H new ATOM 0 HB2 LYS A 123 2.895 7.263 -8.412 1.00 0.39 H new ATOM 0 HB3 LYS A 123 3.192 7.698 -6.741 1.00 0.39 H new ATOM 0 HG2 LYS A 123 4.257 9.666 -7.284 1.00 0.48 H new ATOM 0 HG3 LYS A 123 4.863 9.053 -8.809 1.00 0.48 H new ATOM 0 HD2 LYS A 123 1.933 9.675 -8.285 1.00 0.75 H new ATOM 0 HD3 LYS A 123 3.054 10.808 -9.012 1.00 0.75 H new ATOM 0 HE2 LYS A 123 3.519 9.142 -10.827 1.00 1.35 H new ATOM 0 HE3 LYS A 123 2.337 8.063 -10.114 1.00 1.35 H new ATOM 0 HZ1 LYS A 123 1.385 9.337 -11.917 1.00 2.15 H new ATOM 0 HZ2 LYS A 123 0.631 9.751 -10.453 1.00 2.15 H new ATOM 0 HZ3 LYS A 123 1.777 10.797 -11.144 1.00 2.15 H new ATOM 1311 N GLY A 124 7.085 7.490 -7.171 1.00 0.37 N ATOM 1312 CA GLY A 124 8.136 8.023 -6.328 1.00 0.42 C ATOM 1313 C GLY A 124 8.799 6.964 -5.468 1.00 0.38 C ATOM 1314 O GLY A 124 9.992 7.049 -5.166 1.00 0.42 O ATOM 0 H GLY A 124 7.360 7.329 -8.140 1.00 0.37 H new ATOM 0 HA2 GLY A 124 8.890 8.499 -6.954 1.00 0.42 H new ATOM 0 HA3 GLY A 124 7.720 8.798 -5.684 1.00 0.42 H new ATOM 1318 N GLY A 125 8.024 5.973 -5.064 1.00 0.34 N ATOM 1319 CA GLY A 125 8.546 4.913 -4.237 1.00 0.31 C ATOM 1320 C GLY A 125 8.523 3.567 -4.926 1.00 0.25 C ATOM 1321 O GLY A 125 7.832 3.373 -5.920 1.00 0.29 O ATOM 0 H GLY A 125 7.035 5.885 -5.297 1.00 0.34 H new ATOM 0 HA2 GLY A 125 9.570 5.152 -3.951 1.00 0.31 H new ATOM 0 HA3 GLY A 125 7.964 4.855 -3.317 1.00 0.31 H new ATOM 1325 N TYR A 126 9.297 2.635 -4.409 1.00 0.19 N ATOM 1326 CA TYR A 126 9.258 1.270 -4.882 1.00 0.16 C ATOM 1327 C TYR A 126 8.766 0.369 -3.780 1.00 0.16 C ATOM 1328 O TYR A 126 9.363 0.316 -2.707 1.00 0.17 O ATOM 1329 CB TYR A 126 10.646 0.811 -5.343 1.00 0.15 C ATOM 1330 CG TYR A 126 10.953 1.176 -6.771 1.00 0.18 C ATOM 1331 CD1 TYR A 126 11.055 2.497 -7.145 1.00 0.24 C ATOM 1332 CD2 TYR A 126 11.105 0.202 -7.747 1.00 0.21 C ATOM 1333 CE1 TYR A 126 11.301 2.854 -8.452 1.00 0.29 C ATOM 1334 CE2 TYR A 126 11.363 0.547 -9.061 1.00 0.27 C ATOM 1335 CZ TYR A 126 11.459 1.878 -9.406 1.00 0.30 C ATOM 1336 OH TYR A 126 11.698 2.239 -10.711 1.00 0.38 O ATOM 0 H TYR A 126 9.965 2.802 -3.656 1.00 0.19 H new ATOM 0 HA TYR A 126 8.578 1.217 -5.733 1.00 0.16 H new ATOM 0 HB2 TYR A 126 11.401 1.253 -4.693 1.00 0.15 H new ATOM 0 HB3 TYR A 126 10.720 -0.270 -5.228 1.00 0.15 H new ATOM 0 HD1 TYR A 126 10.940 3.269 -6.398 1.00 0.24 H new ATOM 0 HD2 TYR A 126 11.021 -0.840 -7.477 1.00 0.21 H new ATOM 0 HE1 TYR A 126 11.369 3.896 -8.726 1.00 0.29 H new ATOM 0 HE2 TYR A 126 11.488 -0.220 -9.811 1.00 0.27 H new ATOM 0 HH TYR A 126 10.866 2.178 -11.225 1.00 0.38 H new ATOM 1346 N VAL A 127 7.674 -0.326 -4.028 1.00 0.18 N ATOM 1347 CA VAL A 127 7.217 -1.310 -3.080 1.00 0.20 C ATOM 1348 C VAL A 127 8.086 -2.550 -3.244 1.00 0.17 C ATOM 1349 O VAL A 127 8.029 -3.262 -4.251 1.00 0.20 O ATOM 1350 CB VAL A 127 5.705 -1.620 -3.240 1.00 0.29 C ATOM 1351 CG1 VAL A 127 5.344 -1.950 -4.679 1.00 0.55 C ATOM 1352 CG2 VAL A 127 5.286 -2.743 -2.310 1.00 0.60 C ATOM 0 H VAL A 127 7.098 -0.228 -4.864 1.00 0.18 H new ATOM 0 HA VAL A 127 7.318 -0.924 -2.066 1.00 0.20 H new ATOM 0 HB VAL A 127 5.157 -0.719 -2.966 1.00 0.29 H new ATOM 0 HG11 VAL A 127 4.277 -2.161 -4.747 1.00 0.55 H new ATOM 0 HG12 VAL A 127 5.588 -1.102 -5.319 1.00 0.55 H new ATOM 0 HG13 VAL A 127 5.908 -2.824 -5.004 1.00 0.55 H new ATOM 0 HG21 VAL A 127 4.222 -2.944 -2.438 1.00 0.60 H new ATOM 0 HG22 VAL A 127 5.856 -3.642 -2.545 1.00 0.60 H new ATOM 0 HG23 VAL A 127 5.478 -2.451 -1.278 1.00 0.60 H new ATOM 1362 N ILE A 128 8.910 -2.784 -2.247 1.00 0.14 N ATOM 1363 CA ILE A 128 10.005 -3.720 -2.374 1.00 0.12 C ATOM 1364 C ILE A 128 10.012 -4.709 -1.234 1.00 0.13 C ATOM 1365 O ILE A 128 9.551 -4.412 -0.135 1.00 0.16 O ATOM 1366 CB ILE A 128 11.360 -2.979 -2.399 1.00 0.13 C ATOM 1367 CG1 ILE A 128 11.501 -2.070 -1.170 1.00 0.16 C ATOM 1368 CG2 ILE A 128 11.493 -2.166 -3.678 1.00 0.16 C ATOM 1369 CD1 ILE A 128 12.836 -1.364 -1.080 1.00 0.19 C ATOM 0 H ILE A 128 8.842 -2.336 -1.333 1.00 0.14 H new ATOM 0 HA ILE A 128 9.863 -4.255 -3.313 1.00 0.12 H new ATOM 0 HB ILE A 128 12.159 -3.720 -2.372 1.00 0.13 H new ATOM 0 HG12 ILE A 128 10.707 -1.324 -1.189 1.00 0.16 H new ATOM 0 HG13 ILE A 128 11.355 -2.667 -0.270 1.00 0.16 H new ATOM 0 HG21 ILE A 128 12.453 -1.649 -3.682 1.00 0.16 H new ATOM 0 HG22 ILE A 128 11.435 -2.831 -4.540 1.00 0.16 H new ATOM 0 HG23 ILE A 128 10.687 -1.435 -3.730 1.00 0.16 H new ATOM 0 HD11 ILE A 128 12.859 -0.741 -0.186 1.00 0.19 H new ATOM 0 HD12 ILE A 128 13.636 -2.103 -1.028 1.00 0.19 H new ATOM 0 HD13 ILE A 128 12.977 -0.738 -1.961 1.00 0.19 H new ATOM 1381 N LYS A 129 10.531 -5.883 -1.500 1.00 0.15 N ATOM 1382 CA LYS A 129 10.688 -6.879 -0.468 1.00 0.18 C ATOM 1383 C LYS A 129 12.162 -7.192 -0.293 1.00 0.19 C ATOM 1384 O LYS A 129 12.759 -7.908 -1.097 1.00 0.20 O ATOM 1385 CB LYS A 129 9.905 -8.141 -0.825 1.00 0.22 C ATOM 1386 CG LYS A 129 9.943 -9.209 0.251 1.00 0.28 C ATOM 1387 CD LYS A 129 8.987 -10.342 -0.068 1.00 0.40 C ATOM 1388 CE LYS A 129 8.981 -11.384 1.033 1.00 0.51 C ATOM 1389 NZ LYS A 129 7.900 -12.381 0.838 1.00 0.76 N ATOM 0 H LYS A 129 10.852 -6.173 -2.424 1.00 0.15 H new ATOM 0 HA LYS A 129 10.293 -6.493 0.472 1.00 0.18 H new ATOM 0 HB2 LYS A 129 8.867 -7.871 -1.019 1.00 0.22 H new ATOM 0 HB3 LYS A 129 10.305 -8.556 -1.750 1.00 0.22 H new ATOM 0 HG2 LYS A 129 10.956 -9.600 0.344 1.00 0.28 H new ATOM 0 HG3 LYS A 129 9.682 -8.769 1.213 1.00 0.28 H new ATOM 0 HD2 LYS A 129 7.981 -9.945 -0.201 1.00 0.40 H new ATOM 0 HD3 LYS A 129 9.273 -10.808 -1.011 1.00 0.40 H new ATOM 0 HE2 LYS A 129 9.945 -11.892 1.058 1.00 0.51 H new ATOM 0 HE3 LYS A 129 8.854 -10.893 1.998 1.00 0.51 H new ATOM 0 HZ1 LYS A 129 7.927 -13.078 1.610 1.00 0.76 H new ATOM 0 HZ2 LYS A 129 6.979 -11.899 0.839 1.00 0.76 H new ATOM 0 HZ3 LYS A 129 8.036 -12.867 -0.072 1.00 0.76 H new ATOM 1403 N VAL A 130 12.739 -6.659 0.767 1.00 0.21 N ATOM 1404 CA VAL A 130 14.141 -6.845 1.044 1.00 0.24 C ATOM 1405 C VAL A 130 14.296 -7.592 2.359 1.00 0.29 C ATOM 1406 O VAL A 130 13.576 -7.316 3.326 1.00 0.29 O ATOM 1407 CB VAL A 130 14.910 -5.492 1.079 1.00 0.24 C ATOM 1408 CG1 VAL A 130 14.162 -4.428 0.296 1.00 0.26 C ATOM 1409 CG2 VAL A 130 15.172 -4.998 2.492 1.00 0.26 C ATOM 0 H VAL A 130 12.247 -6.088 1.455 1.00 0.21 H new ATOM 0 HA VAL A 130 14.578 -7.433 0.237 1.00 0.24 H new ATOM 0 HB VAL A 130 15.878 -5.678 0.614 1.00 0.24 H new ATOM 0 HG11 VAL A 130 14.717 -3.491 0.334 1.00 0.26 H new ATOM 0 HG12 VAL A 130 14.057 -4.746 -0.741 1.00 0.26 H new ATOM 0 HG13 VAL A 130 13.174 -4.282 0.733 1.00 0.26 H new ATOM 0 HG21 VAL A 130 15.711 -4.051 2.452 1.00 0.26 H new ATOM 0 HG22 VAL A 130 14.223 -4.854 3.009 1.00 0.26 H new ATOM 0 HG23 VAL A 130 15.770 -5.734 3.030 1.00 0.26 H new ATOM 1419 N ASP A 131 15.179 -8.581 2.370 1.00 0.36 N ATOM 1420 CA ASP A 131 15.471 -9.342 3.579 1.00 0.44 C ATOM 1421 C ASP A 131 14.204 -10.035 4.098 1.00 0.43 C ATOM 1422 O ASP A 131 14.028 -10.253 5.299 1.00 0.50 O ATOM 1423 CB ASP A 131 16.078 -8.404 4.629 1.00 0.48 C ATOM 1424 CG ASP A 131 16.625 -9.130 5.842 1.00 0.59 C ATOM 1425 OD1 ASP A 131 17.535 -9.971 5.682 1.00 0.74 O ATOM 1426 OD2 ASP A 131 16.137 -8.873 6.962 1.00 0.59 O ATOM 0 H ASP A 131 15.709 -8.877 1.550 1.00 0.36 H new ATOM 0 HA ASP A 131 16.195 -10.126 3.356 1.00 0.44 H new ATOM 0 HB2 ASP A 131 16.880 -7.826 4.169 1.00 0.48 H new ATOM 0 HB3 ASP A 131 15.318 -7.693 4.953 1.00 0.48 H new ATOM 1431 N GLY A 132 13.311 -10.367 3.172 1.00 0.39 N ATOM 1432 CA GLY A 132 12.082 -11.058 3.521 1.00 0.40 C ATOM 1433 C GLY A 132 10.999 -10.121 4.024 1.00 0.40 C ATOM 1434 O GLY A 132 9.916 -10.562 4.410 1.00 0.59 O ATOM 0 H GLY A 132 13.418 -10.168 2.177 1.00 0.39 H new ATOM 0 HA2 GLY A 132 11.713 -11.596 2.648 1.00 0.40 H new ATOM 0 HA3 GLY A 132 12.295 -11.803 4.287 1.00 0.40 H new ATOM 1438 N LYS A 133 11.280 -8.828 4.014 1.00 0.30 N ATOM 1439 CA LYS A 133 10.342 -7.837 4.516 1.00 0.29 C ATOM 1440 C LYS A 133 9.986 -6.833 3.448 1.00 0.26 C ATOM 1441 O LYS A 133 10.769 -6.567 2.544 1.00 0.33 O ATOM 1442 CB LYS A 133 10.929 -7.120 5.727 1.00 0.33 C ATOM 1443 CG LYS A 133 10.846 -7.934 6.999 1.00 0.40 C ATOM 1444 CD LYS A 133 11.701 -7.347 8.108 1.00 0.80 C ATOM 1445 CE LYS A 133 13.184 -7.469 7.797 1.00 0.62 C ATOM 1446 NZ LYS A 133 13.630 -8.885 7.742 1.00 1.15 N ATOM 0 H LYS A 133 12.155 -8.439 3.662 1.00 0.30 H new ATOM 0 HA LYS A 133 9.432 -8.358 4.813 1.00 0.29 H new ATOM 0 HB2 LYS A 133 11.972 -6.876 5.527 1.00 0.33 H new ATOM 0 HB3 LYS A 133 10.404 -6.176 5.872 1.00 0.33 H new ATOM 0 HG2 LYS A 133 9.809 -7.985 7.330 1.00 0.40 H new ATOM 0 HG3 LYS A 133 11.167 -8.956 6.797 1.00 0.40 H new ATOM 0 HD2 LYS A 133 11.444 -6.297 8.249 1.00 0.80 H new ATOM 0 HD3 LYS A 133 11.482 -7.858 9.046 1.00 0.80 H new ATOM 0 HE2 LYS A 133 13.395 -6.986 6.843 1.00 0.62 H new ATOM 0 HE3 LYS A 133 13.758 -6.938 8.557 1.00 0.62 H new ATOM 0 HZ1 LYS A 133 14.659 -8.931 7.884 1.00 1.15 H new ATOM 0 HZ2 LYS A 133 13.153 -9.429 8.489 1.00 1.15 H new ATOM 0 HZ3 LYS A 133 13.391 -9.289 6.814 1.00 1.15 H new ATOM 1460 N TYR A 134 8.808 -6.268 3.571 1.00 0.25 N ATOM 1461 CA TYR A 134 8.306 -5.343 2.576 1.00 0.23 C ATOM 1462 C TYR A 134 8.471 -3.907 3.026 1.00 0.22 C ATOM 1463 O TYR A 134 8.137 -3.549 4.158 1.00 0.26 O ATOM 1464 CB TYR A 134 6.843 -5.618 2.283 1.00 0.28 C ATOM 1465 CG TYR A 134 6.592 -6.142 0.897 1.00 0.46 C ATOM 1466 CD1 TYR A 134 6.484 -5.281 -0.186 1.00 0.64 C ATOM 1467 CD2 TYR A 134 6.445 -7.493 0.676 1.00 0.63 C ATOM 1468 CE1 TYR A 134 6.230 -5.762 -1.453 1.00 0.88 C ATOM 1469 CE2 TYR A 134 6.182 -7.983 -0.592 1.00 0.86 C ATOM 1470 CZ TYR A 134 6.074 -7.113 -1.646 1.00 0.91 C ATOM 1471 OH TYR A 134 5.785 -7.596 -2.896 1.00 1.22 O ATOM 0 H TYR A 134 8.175 -6.432 4.354 1.00 0.25 H new ATOM 0 HA TYR A 134 8.890 -5.491 1.668 1.00 0.23 H new ATOM 0 HB2 TYR A 134 6.466 -6.339 3.008 1.00 0.28 H new ATOM 0 HB3 TYR A 134 6.275 -4.698 2.423 1.00 0.28 H new ATOM 0 HD1 TYR A 134 6.601 -4.218 -0.034 1.00 0.64 H new ATOM 0 HD2 TYR A 134 6.536 -8.181 1.504 1.00 0.63 H new ATOM 0 HE1 TYR A 134 6.154 -5.081 -2.288 1.00 0.88 H new ATOM 0 HE2 TYR A 134 6.063 -9.045 -0.750 1.00 0.86 H new ATOM 0 HH TYR A 134 5.708 -8.572 -2.860 1.00 1.22 H new ATOM 1481 N TYR A 135 8.988 -3.097 2.128 1.00 0.19 N ATOM 1482 CA TYR A 135 9.182 -1.686 2.374 1.00 0.20 C ATOM 1483 C TYR A 135 8.777 -0.910 1.147 1.00 0.19 C ATOM 1484 O TYR A 135 8.516 -1.483 0.091 1.00 0.21 O ATOM 1485 CB TYR A 135 10.652 -1.372 2.677 1.00 0.19 C ATOM 1486 CG TYR A 135 11.280 -2.225 3.734 1.00 0.21 C ATOM 1487 CD1 TYR A 135 11.887 -3.418 3.400 1.00 0.22 C ATOM 1488 CD2 TYR A 135 11.290 -1.827 5.058 1.00 0.28 C ATOM 1489 CE1 TYR A 135 12.486 -4.195 4.345 1.00 0.26 C ATOM 1490 CE2 TYR A 135 11.888 -2.604 6.023 1.00 0.32 C ATOM 1491 CZ TYR A 135 12.490 -3.791 5.663 1.00 0.31 C ATOM 1492 OH TYR A 135 13.102 -4.566 6.620 1.00 0.37 O ATOM 0 H TYR A 135 9.287 -3.401 1.202 1.00 0.19 H new ATOM 0 HA TYR A 135 8.574 -1.405 3.234 1.00 0.20 H new ATOM 0 HB2 TYR A 135 11.227 -1.479 1.757 1.00 0.19 H new ATOM 0 HB3 TYR A 135 10.729 -0.328 2.982 1.00 0.19 H new ATOM 0 HD1 TYR A 135 11.887 -3.742 2.370 1.00 0.22 H new ATOM 0 HD2 TYR A 135 10.823 -0.895 5.338 1.00 0.28 H new ATOM 0 HE1 TYR A 135 12.957 -5.125 4.062 1.00 0.26 H new ATOM 0 HE2 TYR A 135 11.886 -2.286 7.055 1.00 0.32 H new ATOM 0 HH TYR A 135 13.013 -4.135 7.496 1.00 0.37 H new ATOM 1502 N VAL A 136 8.719 0.390 1.291 1.00 0.21 N ATOM 1503 CA VAL A 136 8.529 1.266 0.168 1.00 0.22 C ATOM 1504 C VAL A 136 9.699 2.228 0.078 1.00 0.23 C ATOM 1505 O VAL A 136 9.908 3.075 0.950 1.00 0.31 O ATOM 1506 CB VAL A 136 7.186 2.019 0.257 1.00 0.25 C ATOM 1507 CG1 VAL A 136 7.076 3.068 -0.842 1.00 0.26 C ATOM 1508 CG2 VAL A 136 6.039 1.021 0.161 1.00 0.26 C ATOM 0 H VAL A 136 8.802 0.868 2.188 1.00 0.21 H new ATOM 0 HA VAL A 136 8.491 0.668 -0.742 1.00 0.22 H new ATOM 0 HB VAL A 136 7.134 2.536 1.215 1.00 0.25 H new ATOM 0 HG11 VAL A 136 6.120 3.585 -0.757 1.00 0.26 H new ATOM 0 HG12 VAL A 136 7.888 3.788 -0.740 1.00 0.26 H new ATOM 0 HG13 VAL A 136 7.141 2.583 -1.816 1.00 0.26 H new ATOM 0 HG21 VAL A 136 5.089 1.552 0.224 1.00 0.26 H new ATOM 0 HG22 VAL A 136 6.097 0.491 -0.790 1.00 0.26 H new ATOM 0 HG23 VAL A 136 6.110 0.305 0.980 1.00 0.26 H new ATOM 1518 N TYR A 137 10.481 2.047 -0.967 1.00 0.20 N ATOM 1519 CA TYR A 137 11.652 2.861 -1.216 1.00 0.24 C ATOM 1520 C TYR A 137 11.244 4.173 -1.824 1.00 0.27 C ATOM 1521 O TYR A 137 10.927 4.252 -3.000 1.00 0.46 O ATOM 1522 CB TYR A 137 12.609 2.125 -2.157 1.00 0.35 C ATOM 1523 CG TYR A 137 13.561 3.059 -2.852 1.00 0.50 C ATOM 1524 CD1 TYR A 137 14.532 3.715 -2.138 1.00 0.59 C ATOM 1525 CD2 TYR A 137 13.458 3.310 -4.210 1.00 0.63 C ATOM 1526 CE1 TYR A 137 15.387 4.603 -2.746 1.00 0.76 C ATOM 1527 CE2 TYR A 137 14.311 4.191 -4.835 1.00 0.78 C ATOM 1528 CZ TYR A 137 15.275 4.839 -4.100 1.00 0.77 C ATOM 1529 OH TYR A 137 16.121 5.728 -4.725 1.00 1.01 O ATOM 0 H TYR A 137 10.320 1.327 -1.671 1.00 0.20 H new ATOM 0 HA TYR A 137 12.160 3.051 -0.270 1.00 0.24 H new ATOM 0 HB2 TYR A 137 13.177 1.388 -1.589 1.00 0.35 H new ATOM 0 HB3 TYR A 137 12.032 1.578 -2.902 1.00 0.35 H new ATOM 0 HD1 TYR A 137 14.626 3.530 -1.078 1.00 0.59 H new ATOM 0 HD2 TYR A 137 12.697 2.807 -4.788 1.00 0.63 H new ATOM 0 HE1 TYR A 137 16.142 5.113 -2.167 1.00 0.76 H new ATOM 0 HE2 TYR A 137 14.223 4.372 -5.896 1.00 0.78 H new ATOM 0 HH TYR A 137 16.983 5.741 -4.260 1.00 1.01 H new ATOM 1539 N LEU A 138 11.253 5.200 -1.017 1.00 0.29 N ATOM 1540 CA LEU A 138 10.845 6.493 -1.480 1.00 0.38 C ATOM 1541 C LEU A 138 12.042 7.308 -1.919 1.00 0.44 C ATOM 1542 O LEU A 138 12.998 7.490 -1.165 1.00 0.50 O ATOM 1543 CB LEU A 138 10.102 7.203 -0.376 1.00 0.48 C ATOM 1544 CG LEU A 138 8.982 8.110 -0.864 1.00 0.64 C ATOM 1545 CD1 LEU A 138 7.891 7.291 -1.532 1.00 0.72 C ATOM 1546 CD2 LEU A 138 8.423 8.927 0.283 1.00 0.72 C ATOM 0 H LEU A 138 11.538 5.164 -0.038 1.00 0.29 H new ATOM 0 HA LEU A 138 10.188 6.373 -2.342 1.00 0.38 H new ATOM 0 HB2 LEU A 138 9.683 6.459 0.302 1.00 0.48 H new ATOM 0 HB3 LEU A 138 10.811 7.797 0.201 1.00 0.48 H new ATOM 0 HG LEU A 138 9.389 8.800 -1.603 1.00 0.64 H new ATOM 0 HD11 LEU A 138 7.097 7.954 -1.876 1.00 0.72 H new ATOM 0 HD12 LEU A 138 8.309 6.754 -2.383 1.00 0.72 H new ATOM 0 HD13 LEU A 138 7.483 6.577 -0.817 1.00 0.72 H new ATOM 0 HD21 LEU A 138 7.623 9.570 -0.084 1.00 0.72 H new ATOM 0 HD22 LEU A 138 8.029 8.258 1.048 1.00 0.72 H new ATOM 0 HD23 LEU A 138 9.215 9.542 0.712 1.00 0.72 H new ATOM 1558 N LYS A 139 11.984 7.780 -3.149 1.00 0.46 N ATOM 1559 CA LYS A 139 13.035 8.625 -3.686 1.00 0.54 C ATOM 1560 C LYS A 139 12.908 10.044 -3.135 1.00 0.64 C ATOM 1561 O LYS A 139 13.879 10.800 -3.103 1.00 0.74 O ATOM 1562 CB LYS A 139 12.998 8.635 -5.212 1.00 0.56 C ATOM 1563 CG LYS A 139 13.375 7.304 -5.844 1.00 0.50 C ATOM 1564 CD LYS A 139 13.506 7.419 -7.354 1.00 0.59 C ATOM 1565 CE LYS A 139 14.127 6.171 -7.963 1.00 1.51 C ATOM 1566 NZ LYS A 139 15.538 5.980 -7.528 1.00 2.31 N ATOM 0 H LYS A 139 11.219 7.593 -3.797 1.00 0.46 H new ATOM 0 HA LYS A 139 13.996 8.216 -3.375 1.00 0.54 H new ATOM 0 HB2 LYS A 139 11.996 8.911 -5.540 1.00 0.56 H new ATOM 0 HB3 LYS A 139 13.677 9.405 -5.578 1.00 0.56 H new ATOM 0 HG2 LYS A 139 14.317 6.954 -5.422 1.00 0.50 H new ATOM 0 HG3 LYS A 139 12.619 6.557 -5.600 1.00 0.50 H new ATOM 0 HD2 LYS A 139 12.522 7.587 -7.793 1.00 0.59 H new ATOM 0 HD3 LYS A 139 14.117 8.287 -7.601 1.00 0.59 H new ATOM 0 HE2 LYS A 139 13.539 5.298 -7.679 1.00 1.51 H new ATOM 0 HE3 LYS A 139 14.089 6.241 -9.050 1.00 1.51 H new ATOM 0 HZ1 LYS A 139 15.975 5.223 -8.091 1.00 2.31 H new ATOM 0 HZ2 LYS A 139 16.067 6.865 -7.667 1.00 2.31 H new ATOM 0 HZ3 LYS A 139 15.559 5.719 -6.521 1.00 2.31 H new ATOM 1580 N ASP A 140 11.708 10.393 -2.682 1.00 0.66 N ATOM 1581 CA ASP A 140 11.466 11.694 -2.073 1.00 0.78 C ATOM 1582 C ASP A 140 10.797 11.505 -0.719 1.00 0.77 C ATOM 1583 O ASP A 140 9.583 11.654 -0.580 1.00 0.88 O ATOM 1584 CB ASP A 140 10.594 12.574 -2.974 1.00 1.00 C ATOM 1585 CG ASP A 140 10.557 14.024 -2.516 1.00 1.24 C ATOM 1586 OD1 ASP A 140 10.760 14.293 -1.310 1.00 1.58 O ATOM 1587 OD2 ASP A 140 10.347 14.917 -3.370 1.00 1.57 O ATOM 0 H ASP A 140 10.886 9.790 -2.726 1.00 0.66 H new ATOM 0 HA ASP A 140 12.424 12.197 -1.940 1.00 0.78 H new ATOM 0 HB2 ASP A 140 10.972 12.529 -3.995 1.00 1.00 H new ATOM 0 HB3 ASP A 140 9.579 12.176 -2.992 1.00 1.00 H new ATOM 1592 N ALA A 141 11.601 11.175 0.280 1.00 0.73 N ATOM 1593 CA ALA A 141 11.094 10.899 1.617 1.00 0.79 C ATOM 1594 C ALA A 141 10.813 12.185 2.380 1.00 0.97 C ATOM 1595 O ALA A 141 10.252 12.161 3.477 1.00 1.12 O ATOM 1596 CB ALA A 141 12.080 10.040 2.388 1.00 0.86 C ATOM 0 H ALA A 141 12.614 11.091 0.190 1.00 0.73 H new ATOM 0 HA ALA A 141 10.154 10.357 1.511 1.00 0.79 H new ATOM 0 HB1 ALA A 141 11.688 9.842 3.385 1.00 0.86 H new ATOM 0 HB2 ALA A 141 12.229 9.097 1.863 1.00 0.86 H new ATOM 0 HB3 ALA A 141 13.032 10.564 2.470 1.00 0.86 H new ATOM 1602 N ALA A 142 11.195 13.307 1.793 1.00 1.02 N ATOM 1603 CA ALA A 142 11.101 14.582 2.479 1.00 1.26 C ATOM 1604 C ALA A 142 9.779 15.286 2.194 1.00 1.37 C ATOM 1605 O ALA A 142 9.162 15.843 3.100 1.00 1.60 O ATOM 1606 CB ALA A 142 12.269 15.475 2.095 1.00 1.38 C ATOM 0 H ALA A 142 11.572 13.360 0.847 1.00 1.02 H new ATOM 0 HA ALA A 142 11.141 14.382 3.550 1.00 1.26 H new ATOM 0 HB1 ALA A 142 12.185 16.428 2.617 1.00 1.38 H new ATOM 0 HB2 ALA A 142 13.205 14.990 2.373 1.00 1.38 H new ATOM 0 HB3 ALA A 142 12.256 15.648 1.019 1.00 1.38 H new ATOM 1612 N HIS A 143 9.337 15.256 0.941 1.00 1.30 N ATOM 1613 CA HIS A 143 8.138 16.001 0.548 1.00 1.50 C ATOM 1614 C HIS A 143 6.913 15.100 0.488 1.00 1.25 C ATOM 1615 O HIS A 143 5.837 15.539 0.082 1.00 1.33 O ATOM 1616 CB HIS A 143 8.324 16.665 -0.816 1.00 1.74 C ATOM 1617 CG HIS A 143 9.585 17.463 -0.946 1.00 2.20 C ATOM 1618 ND1 HIS A 143 10.583 17.147 -1.838 1.00 2.83 N ATOM 1619 CD2 HIS A 143 10.004 18.574 -0.297 1.00 2.47 C ATOM 1620 CE1 HIS A 143 11.560 18.024 -1.734 1.00 3.41 C ATOM 1621 NE2 HIS A 143 11.235 18.902 -0.805 1.00 3.11 N ATOM 0 H HIS A 143 9.781 14.733 0.187 1.00 1.30 H new ATOM 0 HA HIS A 143 7.983 16.765 1.310 1.00 1.50 H new ATOM 0 HB2 HIS A 143 8.315 15.894 -1.587 1.00 1.74 H new ATOM 0 HB3 HIS A 143 7.473 17.318 -1.008 1.00 1.74 H new ATOM 0 HD1 HIS A 143 10.569 16.355 -2.481 1.00 2.83 H new ATOM 0 HD2 HIS A 143 9.469 19.104 0.477 1.00 2.47 H new ATOM 0 HE1 HIS A 143 12.473 18.024 -2.312 1.00 3.41 H new ATOM 1630 N ALA A 144 7.094 13.849 0.907 1.00 0.99 N ATOM 1631 CA ALA A 144 6.055 12.827 0.826 1.00 0.77 C ATOM 1632 C ALA A 144 5.687 12.517 -0.613 1.00 0.76 C ATOM 1633 O ALA A 144 4.964 13.263 -1.267 1.00 1.13 O ATOM 1634 CB ALA A 144 4.820 13.234 1.597 1.00 0.88 C ATOM 0 H ALA A 144 7.968 13.516 1.313 1.00 0.99 H new ATOM 0 HA ALA A 144 6.465 11.924 1.278 1.00 0.77 H new ATOM 0 HB1 ALA A 144 4.066 12.451 1.516 1.00 0.88 H new ATOM 0 HB2 ALA A 144 5.078 13.382 2.646 1.00 0.88 H new ATOM 0 HB3 ALA A 144 4.424 14.163 1.186 1.00 0.88 H new ATOM 1640 N ASP A 145 6.175 11.396 -1.088 1.00 0.59 N ATOM 1641 CA ASP A 145 5.885 10.941 -2.428 1.00 0.87 C ATOM 1642 C ASP A 145 4.869 9.820 -2.349 1.00 0.66 C ATOM 1643 O ASP A 145 5.185 8.684 -2.643 1.00 0.75 O ATOM 1644 CB ASP A 145 7.146 10.474 -3.139 1.00 1.23 C ATOM 1645 CG ASP A 145 7.112 10.772 -4.624 1.00 1.79 C ATOM 1646 OD1 ASP A 145 6.095 10.465 -5.282 1.00 1.99 O ATOM 1647 OD2 ASP A 145 8.103 11.324 -5.142 1.00 2.20 O ATOM 0 H ASP A 145 6.784 10.773 -0.557 1.00 0.59 H new ATOM 0 HA ASP A 145 5.478 11.770 -3.008 1.00 0.87 H new ATOM 0 HB2 ASP A 145 8.013 10.960 -2.693 1.00 1.23 H new ATOM 0 HB3 ASP A 145 7.269 9.402 -2.989 1.00 1.23 H new ATOM 1652 N ASN A 146 3.682 10.178 -1.855 1.00 0.48 N ATOM 1653 CA ASN A 146 2.531 9.270 -1.654 1.00 0.32 C ATOM 1654 C ASN A 146 2.645 8.528 -0.330 1.00 0.25 C ATOM 1655 O ASN A 146 1.984 7.527 -0.091 1.00 0.37 O ATOM 1656 CB ASN A 146 2.272 8.305 -2.853 1.00 0.38 C ATOM 1657 CG ASN A 146 2.875 6.893 -2.759 1.00 0.76 C ATOM 1658 OD1 ASN A 146 2.348 6.020 -2.081 1.00 1.69 O ATOM 1659 ND2 ASN A 146 3.932 6.632 -3.506 1.00 0.65 N ATOM 0 H ASN A 146 3.480 11.137 -1.572 1.00 0.48 H new ATOM 0 HA ASN A 146 1.646 9.904 -1.610 1.00 0.32 H new ATOM 0 HB2 ASN A 146 1.194 8.205 -2.980 1.00 0.38 H new ATOM 0 HB3 ASN A 146 2.657 8.778 -3.757 1.00 0.38 H new ATOM 0 HD21 ASN A 146 4.323 5.690 -3.525 1.00 0.65 H new ATOM 0 HD22 ASN A 146 4.357 7.372 -4.064 1.00 0.65 H new ATOM 1666 N ILE A 147 3.434 9.069 0.575 1.00 0.30 N ATOM 1667 CA ILE A 147 3.509 8.502 1.906 1.00 0.34 C ATOM 1668 C ILE A 147 2.620 9.262 2.870 1.00 0.38 C ATOM 1669 O ILE A 147 2.786 10.465 3.088 1.00 0.46 O ATOM 1670 CB ILE A 147 4.945 8.452 2.444 1.00 0.42 C ATOM 1671 CG1 ILE A 147 5.796 7.573 1.534 1.00 0.46 C ATOM 1672 CG2 ILE A 147 4.963 7.931 3.875 1.00 0.49 C ATOM 1673 CD1 ILE A 147 5.231 6.184 1.320 1.00 0.50 C ATOM 0 H ILE A 147 4.023 9.887 0.418 1.00 0.30 H new ATOM 0 HA ILE A 147 3.154 7.475 1.825 1.00 0.34 H new ATOM 0 HB ILE A 147 5.361 9.459 2.453 1.00 0.42 H new ATOM 0 HG12 ILE A 147 5.903 8.064 0.567 1.00 0.46 H new ATOM 0 HG13 ILE A 147 6.796 7.486 1.960 1.00 0.46 H new ATOM 0 HG21 ILE A 147 5.990 7.903 4.239 1.00 0.49 H new ATOM 0 HG22 ILE A 147 4.371 8.590 4.510 1.00 0.49 H new ATOM 0 HG23 ILE A 147 4.541 6.926 3.902 1.00 0.49 H new ATOM 0 HD11 ILE A 147 5.892 5.620 0.662 1.00 0.50 H new ATOM 0 HD12 ILE A 147 5.150 5.672 2.279 1.00 0.50 H new ATOM 0 HD13 ILE A 147 4.244 6.259 0.864 1.00 0.50 H new ATOM 1685 N ARG A 148 1.671 8.541 3.424 1.00 0.36 N ATOM 1686 CA ARG A 148 0.750 9.064 4.380 1.00 0.38 C ATOM 1687 C ARG A 148 1.205 8.650 5.769 1.00 0.36 C ATOM 1688 O ARG A 148 1.372 7.460 6.040 1.00 0.39 O ATOM 1689 CB ARG A 148 -0.624 8.494 4.076 1.00 0.45 C ATOM 1690 CG ARG A 148 -1.703 9.206 4.821 1.00 0.62 C ATOM 1691 CD ARG A 148 -1.723 10.678 4.454 1.00 0.83 C ATOM 1692 NE ARG A 148 -1.953 10.884 3.024 1.00 0.98 N ATOM 1693 CZ ARG A 148 -1.123 11.547 2.219 1.00 1.03 C ATOM 1694 NH1 ARG A 148 0.024 12.025 2.686 1.00 1.40 N ATOM 1695 NH2 ARG A 148 -1.435 11.719 0.942 1.00 1.78 N ATOM 0 H ARG A 148 1.524 7.554 3.211 1.00 0.36 H new ATOM 0 HA ARG A 148 0.707 10.152 4.333 1.00 0.38 H new ATOM 0 HB2 ARG A 148 -0.816 8.564 3.005 1.00 0.45 H new ATOM 0 HB3 ARG A 148 -0.643 7.435 4.335 1.00 0.45 H new ATOM 0 HG2 ARG A 148 -2.669 8.755 4.592 1.00 0.62 H new ATOM 0 HG3 ARG A 148 -1.546 9.095 5.894 1.00 0.62 H new ATOM 0 HD2 ARG A 148 -2.504 11.183 5.023 1.00 0.83 H new ATOM 0 HD3 ARG A 148 -0.775 11.135 4.738 1.00 0.83 H new ATOM 0 HE ARG A 148 -2.803 10.495 2.617 1.00 0.98 H new ATOM 0 HH11 ARG A 148 0.274 11.886 3.665 1.00 1.40 H new ATOM 0 HH12 ARG A 148 0.656 12.532 2.066 1.00 1.40 H new ATOM 0 HH21 ARG A 148 -2.310 11.344 0.576 1.00 1.78 H new ATOM 0 HH22 ARG A 148 -0.800 12.226 0.326 1.00 1.78 H new ATOM 1709 N THR A 149 1.428 9.614 6.643 1.00 0.33 N ATOM 1710 CA THR A 149 1.875 9.298 7.985 1.00 0.31 C ATOM 1711 C THR A 149 0.748 8.652 8.755 1.00 0.28 C ATOM 1712 O THR A 149 -0.405 8.931 8.473 1.00 0.29 O ATOM 1713 CB THR A 149 2.363 10.544 8.738 1.00 0.34 C ATOM 1714 OG1 THR A 149 1.425 11.617 8.585 1.00 0.37 O ATOM 1715 CG2 THR A 149 3.721 10.964 8.218 1.00 0.40 C ATOM 0 H THR A 149 1.309 10.609 6.451 1.00 0.33 H new ATOM 0 HA THR A 149 2.717 8.611 7.900 1.00 0.31 H new ATOM 0 HB THR A 149 2.447 10.302 9.798 1.00 0.34 H new ATOM 0 HG1 THR A 149 1.747 12.405 9.071 1.00 0.37 H new ATOM 0 HG21 THR A 149 4.060 11.848 8.758 1.00 0.40 H new ATOM 0 HG22 THR A 149 4.434 10.153 8.367 1.00 0.40 H new ATOM 0 HG23 THR A 149 3.649 11.193 7.155 1.00 0.40 H new ATOM 1723 N LYS A 150 1.063 7.799 9.715 1.00 0.31 N ATOM 1724 CA LYS A 150 0.017 7.144 10.498 1.00 0.34 C ATOM 1725 C LYS A 150 -0.839 8.185 11.196 1.00 0.31 C ATOM 1726 O LYS A 150 -2.033 7.981 11.428 1.00 0.39 O ATOM 1727 CB LYS A 150 0.613 6.172 11.507 1.00 0.41 C ATOM 1728 CG LYS A 150 1.225 4.954 10.851 1.00 0.63 C ATOM 1729 CD LYS A 150 0.820 3.674 11.559 1.00 1.48 C ATOM 1730 CE LYS A 150 1.415 3.581 12.956 1.00 2.24 C ATOM 1731 NZ LYS A 150 1.134 2.267 13.589 1.00 3.02 N ATOM 0 H LYS A 150 2.017 7.544 9.972 1.00 0.31 H new ATOM 0 HA LYS A 150 -0.612 6.570 9.818 1.00 0.34 H new ATOM 0 HB2 LYS A 150 1.375 6.685 12.094 1.00 0.41 H new ATOM 0 HB3 LYS A 150 -0.164 5.854 12.202 1.00 0.41 H new ATOM 0 HG2 LYS A 150 0.914 4.907 9.807 1.00 0.63 H new ATOM 0 HG3 LYS A 150 2.311 5.045 10.856 1.00 0.63 H new ATOM 0 HD2 LYS A 150 -0.267 3.624 11.624 1.00 1.48 H new ATOM 0 HD3 LYS A 150 1.143 2.816 10.970 1.00 1.48 H new ATOM 0 HE2 LYS A 150 2.493 3.736 12.903 1.00 2.24 H new ATOM 0 HE3 LYS A 150 1.008 4.378 13.578 1.00 2.24 H new ATOM 0 HZ1 LYS A 150 1.555 2.242 14.539 1.00 3.02 H new ATOM 0 HZ2 LYS A 150 0.106 2.130 13.663 1.00 3.02 H new ATOM 0 HZ3 LYS A 150 1.544 1.507 13.009 1.00 3.02 H new ATOM 1745 N GLU A 151 -0.222 9.315 11.494 1.00 0.29 N ATOM 1746 CA GLU A 151 -0.934 10.444 12.054 1.00 0.34 C ATOM 1747 C GLU A 151 -1.903 11.026 11.027 1.00 0.36 C ATOM 1748 O GLU A 151 -3.075 11.264 11.324 1.00 0.48 O ATOM 1749 CB GLU A 151 0.055 11.510 12.526 1.00 0.44 C ATOM 1750 CG GLU A 151 0.998 11.019 13.608 1.00 0.56 C ATOM 1751 CD GLU A 151 1.968 12.085 14.070 1.00 1.01 C ATOM 1752 OE1 GLU A 151 1.511 13.145 14.546 1.00 1.19 O ATOM 1753 OE2 GLU A 151 3.192 11.863 13.970 1.00 1.36 O ATOM 0 H GLU A 151 0.776 9.473 11.356 1.00 0.29 H new ATOM 0 HA GLU A 151 -1.511 10.102 12.913 1.00 0.34 H new ATOM 0 HB2 GLU A 151 0.640 11.855 11.674 1.00 0.44 H new ATOM 0 HB3 GLU A 151 -0.500 12.370 12.901 1.00 0.44 H new ATOM 0 HG2 GLU A 151 0.415 10.671 14.461 1.00 0.56 H new ATOM 0 HG3 GLU A 151 1.558 10.162 13.234 1.00 0.56 H new ATOM 1760 N GLU A 152 -1.422 11.219 9.807 1.00 0.34 N ATOM 1761 CA GLU A 152 -2.237 11.810 8.760 1.00 0.40 C ATOM 1762 C GLU A 152 -3.172 10.778 8.129 1.00 0.40 C ATOM 1763 O GLU A 152 -4.137 11.138 7.471 1.00 0.50 O ATOM 1764 CB GLU A 152 -1.350 12.474 7.707 1.00 0.44 C ATOM 1765 CG GLU A 152 -2.117 13.193 6.620 1.00 0.54 C ATOM 1766 CD GLU A 152 -1.371 14.396 6.091 1.00 0.67 C ATOM 1767 OE1 GLU A 152 -0.536 14.232 5.177 1.00 0.83 O ATOM 1768 OE2 GLU A 152 -1.605 15.512 6.603 1.00 0.76 O ATOM 0 H GLU A 152 -0.474 10.975 9.520 1.00 0.34 H new ATOM 0 HA GLU A 152 -2.865 12.578 9.212 1.00 0.40 H new ATOM 0 HB2 GLU A 152 -0.688 13.185 8.201 1.00 0.44 H new ATOM 0 HB3 GLU A 152 -0.717 11.714 7.249 1.00 0.44 H new ATOM 0 HG2 GLU A 152 -2.315 12.502 5.801 1.00 0.54 H new ATOM 0 HG3 GLU A 152 -3.084 13.511 7.010 1.00 0.54 H new ATOM 1775 N ILE A 153 -2.893 9.497 8.333 1.00 0.34 N ATOM 1776 CA ILE A 153 -3.815 8.445 7.920 1.00 0.35 C ATOM 1777 C ILE A 153 -5.149 8.637 8.621 1.00 0.39 C ATOM 1778 O ILE A 153 -6.209 8.533 8.007 1.00 0.43 O ATOM 1779 CB ILE A 153 -3.270 7.032 8.236 1.00 0.35 C ATOM 1780 CG1 ILE A 153 -2.027 6.739 7.397 1.00 0.39 C ATOM 1781 CG2 ILE A 153 -4.339 5.975 7.987 1.00 0.43 C ATOM 1782 CD1 ILE A 153 -1.429 5.371 7.647 1.00 0.47 C ATOM 0 H ILE A 153 -2.040 9.162 8.780 1.00 0.34 H new ATOM 0 HA ILE A 153 -3.936 8.520 6.839 1.00 0.35 H new ATOM 0 HB ILE A 153 -2.994 7.000 9.290 1.00 0.35 H new ATOM 0 HG12 ILE A 153 -2.284 6.825 6.341 1.00 0.39 H new ATOM 0 HG13 ILE A 153 -1.273 7.498 7.604 1.00 0.39 H new ATOM 0 HG21 ILE A 153 -3.935 4.989 8.215 1.00 0.43 H new ATOM 0 HG22 ILE A 153 -5.200 6.171 8.625 1.00 0.43 H new ATOM 0 HG23 ILE A 153 -4.647 6.008 6.942 1.00 0.43 H new ATOM 0 HD11 ILE A 153 -0.551 5.237 7.015 1.00 0.47 H new ATOM 0 HD12 ILE A 153 -1.139 5.287 8.694 1.00 0.47 H new ATOM 0 HD13 ILE A 153 -2.166 4.603 7.412 1.00 0.47 H new ATOM 1794 N LYS A 154 -5.085 8.948 9.907 1.00 0.42 N ATOM 1795 CA LYS A 154 -6.288 9.217 10.680 1.00 0.50 C ATOM 1796 C LYS A 154 -6.956 10.506 10.194 1.00 0.56 C ATOM 1797 O LYS A 154 -8.169 10.651 10.283 1.00 0.64 O ATOM 1798 CB LYS A 154 -5.944 9.314 12.170 1.00 0.57 C ATOM 1799 CG LYS A 154 -7.151 9.446 13.086 1.00 1.42 C ATOM 1800 CD LYS A 154 -6.722 9.620 14.535 1.00 1.77 C ATOM 1801 CE LYS A 154 -7.913 9.722 15.474 1.00 2.57 C ATOM 1802 NZ LYS A 154 -8.676 8.448 15.551 1.00 3.43 N ATOM 0 H LYS A 154 -4.216 9.020 10.436 1.00 0.42 H new ATOM 0 HA LYS A 154 -6.990 8.395 10.539 1.00 0.50 H new ATOM 0 HB2 LYS A 154 -5.379 8.427 12.459 1.00 0.57 H new ATOM 0 HB3 LYS A 154 -5.290 10.172 12.324 1.00 0.57 H new ATOM 0 HG2 LYS A 154 -7.754 10.300 12.777 1.00 1.42 H new ATOM 0 HG3 LYS A 154 -7.780 8.561 12.994 1.00 1.42 H new ATOM 0 HD2 LYS A 154 -6.098 8.777 14.832 1.00 1.77 H new ATOM 0 HD3 LYS A 154 -6.110 10.518 14.627 1.00 1.77 H new ATOM 0 HE2 LYS A 154 -7.566 9.997 16.470 1.00 2.57 H new ATOM 0 HE3 LYS A 154 -8.574 10.520 15.135 1.00 2.57 H new ATOM 0 HZ1 LYS A 154 -9.394 8.518 16.300 1.00 3.43 H new ATOM 0 HZ2 LYS A 154 -9.143 8.267 14.639 1.00 3.43 H new ATOM 0 HZ3 LYS A 154 -8.025 7.666 15.768 1.00 3.43 H new ATOM 1816 N ARG A 155 -6.157 11.435 9.675 1.00 0.54 N ATOM 1817 CA ARG A 155 -6.696 12.642 9.047 1.00 0.63 C ATOM 1818 C ARG A 155 -7.390 12.278 7.743 1.00 0.66 C ATOM 1819 O ARG A 155 -8.525 12.672 7.483 1.00 0.80 O ATOM 1820 CB ARG A 155 -5.593 13.643 8.737 1.00 0.65 C ATOM 1821 CG ARG A 155 -4.811 14.121 9.942 1.00 1.21 C ATOM 1822 CD ARG A 155 -3.735 15.099 9.509 1.00 1.31 C ATOM 1823 NE ARG A 155 -2.898 15.539 10.621 1.00 2.28 N ATOM 1824 CZ ARG A 155 -1.665 16.028 10.475 1.00 2.71 C ATOM 1825 NH1 ARG A 155 -1.111 16.110 9.270 1.00 2.34 N ATOM 1826 NH2 ARG A 155 -0.984 16.436 11.539 1.00 3.70 N ATOM 0 H ARG A 155 -5.139 11.377 9.676 1.00 0.54 H new ATOM 0 HA ARG A 155 -7.401 13.091 9.746 1.00 0.63 H new ATOM 0 HB2 ARG A 155 -4.900 13.190 8.028 1.00 0.65 H new ATOM 0 HB3 ARG A 155 -6.035 14.508 8.242 1.00 0.65 H new ATOM 0 HG2 ARG A 155 -5.483 14.599 10.655 1.00 1.21 H new ATOM 0 HG3 ARG A 155 -4.357 13.271 10.452 1.00 1.21 H new ATOM 0 HD2 ARG A 155 -3.108 14.631 8.750 1.00 1.31 H new ATOM 0 HD3 ARG A 155 -4.203 15.967 9.045 1.00 1.31 H new ATOM 0 HE ARG A 155 -3.278 15.469 11.565 1.00 2.28 H new ATOM 0 HH11 ARG A 155 -1.629 15.798 8.448 1.00 2.34 H new ATOM 0 HH12 ARG A 155 -0.168 16.485 9.167 1.00 2.34 H new ATOM 0 HH21 ARG A 155 -1.403 16.376 12.467 1.00 3.70 H new ATOM 0 HH22 ARG A 155 -0.041 16.810 11.429 1.00 3.70 H new ATOM 1840 N GLN A 156 -6.679 11.504 6.935 1.00 0.58 N ATOM 1841 CA GLN A 156 -7.136 11.091 5.620 1.00 0.70 C ATOM 1842 C GLN A 156 -8.376 10.203 5.702 1.00 0.67 C ATOM 1843 O GLN A 156 -9.124 10.080 4.732 1.00 0.80 O ATOM 1844 CB GLN A 156 -6.007 10.352 4.896 1.00 0.77 C ATOM 1845 CG GLN A 156 -4.964 11.286 4.299 1.00 0.85 C ATOM 1846 CD GLN A 156 -5.291 11.690 2.875 1.00 1.05 C ATOM 1847 OE1 GLN A 156 -4.398 11.989 2.088 1.00 1.88 O ATOM 1848 NE2 GLN A 156 -6.562 11.661 2.519 1.00 0.92 N ATOM 0 H GLN A 156 -5.757 11.142 7.179 1.00 0.58 H new ATOM 0 HA GLN A 156 -7.412 11.986 5.062 1.00 0.70 H new ATOM 0 HB2 GLN A 156 -5.519 9.673 5.595 1.00 0.77 H new ATOM 0 HB3 GLN A 156 -6.434 9.739 4.102 1.00 0.77 H new ATOM 0 HG2 GLN A 156 -4.886 12.180 4.918 1.00 0.85 H new ATOM 0 HG3 GLN A 156 -3.990 10.798 4.320 1.00 0.85 H new ATOM 0 HE21 GLN A 156 -7.277 11.408 3.201 1.00 0.92 H new ATOM 0 HE22 GLN A 156 -6.829 11.892 1.562 1.00 0.92 H new ATOM 1857 N LYS A 157 -8.590 9.588 6.859 1.00 0.55 N ATOM 1858 CA LYS A 157 -9.709 8.675 7.038 1.00 0.54 C ATOM 1859 C LYS A 157 -10.940 9.399 7.583 1.00 0.62 C ATOM 1860 O LYS A 157 -11.983 8.784 7.810 1.00 0.67 O ATOM 1861 CB LYS A 157 -9.322 7.500 7.940 1.00 0.50 C ATOM 1862 CG LYS A 157 -9.319 7.812 9.419 1.00 0.81 C ATOM 1863 CD LYS A 157 -9.190 6.537 10.239 1.00 1.02 C ATOM 1864 CE LYS A 157 -8.012 5.697 9.770 1.00 0.68 C ATOM 1865 NZ LYS A 157 -7.906 4.409 10.506 1.00 0.90 N ATOM 0 H LYS A 157 -8.004 9.706 7.685 1.00 0.55 H new ATOM 0 HA LYS A 157 -9.967 8.277 6.057 1.00 0.54 H new ATOM 0 HB2 LYS A 157 -10.013 6.677 7.758 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -8.329 7.152 7.654 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -8.494 8.485 9.652 1.00 0.81 H new ATOM 0 HG3 LYS A 157 -10.239 8.331 9.688 1.00 0.81 H new ATOM 0 HD2 LYS A 157 -9.063 6.790 11.292 1.00 1.02 H new ATOM 0 HD3 LYS A 157 -10.109 5.956 10.159 1.00 1.02 H new ATOM 0 HE2 LYS A 157 -8.114 5.496 8.704 1.00 0.68 H new ATOM 0 HE3 LYS A 157 -7.090 6.264 9.900 1.00 0.68 H new ATOM 0 HZ1 LYS A 157 -7.089 3.873 10.151 1.00 0.90 H new ATOM 0 HZ2 LYS A 157 -7.781 4.598 11.521 1.00 0.90 H new ATOM 0 HZ3 LYS A 157 -8.774 3.854 10.361 1.00 0.90 H new ATOM 1879 N GLN A 158 -10.815 10.698 7.810 1.00 0.74 N ATOM 1880 CA GLN A 158 -11.939 11.505 8.239 1.00 0.91 C ATOM 1881 C GLN A 158 -12.734 11.990 7.032 1.00 1.15 C ATOM 1882 O GLN A 158 -13.661 11.274 6.606 1.00 1.78 O ATOM 1883 CB GLN A 158 -11.443 12.687 9.059 1.00 1.18 C ATOM 1884 CG GLN A 158 -10.715 12.268 10.320 1.00 1.48 C ATOM 1885 CD GLN A 158 -10.179 13.440 11.113 1.00 1.88 C ATOM 1886 OE1 GLN A 158 -10.740 14.535 11.092 1.00 2.12 O ATOM 1887 NE2 GLN A 158 -9.084 13.218 11.816 1.00 2.52 N ATOM 0 H GLN A 158 -9.942 11.214 7.703 1.00 0.74 H new ATOM 0 HA GLN A 158 -12.596 10.896 8.860 1.00 0.91 H new ATOM 0 HB2 GLN A 158 -10.777 13.294 8.446 1.00 1.18 H new ATOM 0 HB3 GLN A 158 -12.291 13.317 9.328 1.00 1.18 H new ATOM 0 HG2 GLN A 158 -11.393 11.691 10.949 1.00 1.48 H new ATOM 0 HG3 GLN A 158 -9.889 11.609 10.053 1.00 1.48 H new ATOM 0 HE21 GLN A 158 -8.650 12.295 11.806 1.00 2.52 H new ATOM 0 HE22 GLN A 158 -8.672 13.969 12.369 1.00 2.52 H new