USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -2.04 X(o=-2,f=-2) USER MOD Set 2.1: A 13 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 14 GLN : amide:sc= -1.7! C(o=-1.7!,f=-4.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 94:sc= 0.282 USER MOD Single : A 24 SER OG : rot 180:sc= -0.323 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -177:sc= 0 (180deg=-0.0114) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -2.43 K(o=-2.4,f=-4.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 23:sc= 0.269 USER MOD Single : A 81 THR OG1 : rot 56:sc= 1.13 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.031 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc=-0.00115 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.51) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 55:sc= 0.451 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 105 THR OG1 : rot 159:sc= 1.06 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.646 -11.339 7.896 1.00 0.00 N ATOM 116 CA ARG A 11 -1.317 -10.164 8.439 1.00 0.00 C ATOM 117 C ARG A 11 -0.578 -8.887 8.051 1.00 0.00 C ATOM 118 O ARG A 11 0.462 -8.935 7.393 1.00 0.00 O ATOM 119 CB ARG A 11 -1.417 -10.266 9.962 1.00 0.00 C ATOM 120 CG ARG A 11 -1.557 -11.692 10.469 1.00 0.00 C ATOM 121 CD ARG A 11 -0.212 -12.401 10.520 1.00 0.00 C ATOM 122 NE ARG A 11 -0.238 -13.561 11.406 1.00 0.00 N ATOM 123 CZ ARG A 11 0.856 -14.167 11.854 1.00 0.00 C ATOM 124 NH1 ARG A 11 2.055 -13.725 11.501 1.00 0.00 N ATOM 125 NH2 ARG A 11 0.751 -15.218 12.658 1.00 0.00 N ATOM 0 HA ARG A 11 -2.321 -10.123 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.529 -9.817 10.407 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.273 -9.683 10.301 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.003 -11.683 11.464 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.236 -12.245 9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.069 -12.718 9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.553 -11.703 10.859 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.145 -13.926 11.697 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.139 -12.917 10.884 1.00 0.00 H new ATOM 0 HH12 ARG A 11 2.893 -14.193 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.170 -15.561 12.932 1.00 0.00 H new ATOM 0 HH22 ARG A 11 1.591 -15.683 13.002 1.00 0.00 H new ATOM 139 N LEU A 12 -1.121 -7.747 8.464 1.00 0.00 N ATOM 140 CA LEU A 12 -0.513 -6.456 8.159 1.00 0.00 C ATOM 141 C LEU A 12 0.322 -5.957 9.334 1.00 0.00 C ATOM 142 O LEU A 12 0.145 -6.403 10.468 1.00 0.00 O ATOM 143 CB LEU A 12 -1.594 -5.430 7.815 1.00 0.00 C ATOM 144 CG LEU A 12 -2.077 -5.426 6.364 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.514 -4.935 6.281 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.166 -4.564 5.501 1.00 0.00 C ATOM 0 H LEU A 12 -1.980 -7.690 9.010 1.00 0.00 H new ATOM 0 HA LEU A 12 0.144 -6.585 7.299 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.453 -5.606 8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.213 -4.437 8.053 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.042 -6.448 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.840 -4.939 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.157 -5.592 6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.576 -3.921 6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.525 -4.573 4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.169 -3.541 5.878 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.151 -4.960 5.535 1.00 0.00 H new ATOM 158 N SER A 13 1.230 -5.027 9.056 1.00 0.00 N ATOM 159 CA SER A 13 2.094 -4.468 10.089 1.00 0.00 C ATOM 160 C SER A 13 1.586 -3.102 10.540 1.00 0.00 C ATOM 161 O SER A 13 0.628 -2.569 9.981 1.00 0.00 O ATOM 162 CB SER A 13 3.529 -4.347 9.574 1.00 0.00 C ATOM 163 OG SER A 13 4.463 -4.484 10.630 1.00 0.00 O ATOM 0 H SER A 13 1.386 -4.645 8.123 1.00 0.00 H new ATOM 0 HA SER A 13 2.079 -5.143 10.945 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.714 -5.112 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.664 -3.381 9.088 1.00 0.00 H new ATOM 0 HG SER A 13 5.373 -4.404 10.274 1.00 0.00 H new ATOM 169 N GLN A 14 2.237 -2.541 11.554 1.00 0.00 N ATOM 170 CA GLN A 14 1.851 -1.237 12.081 1.00 0.00 C ATOM 171 C GLN A 14 1.765 -0.203 10.964 1.00 0.00 C ATOM 172 O GLN A 14 2.781 0.194 10.391 1.00 0.00 O ATOM 173 CB GLN A 14 2.852 -0.777 13.143 1.00 0.00 C ATOM 174 CG GLN A 14 4.301 -1.039 12.768 1.00 0.00 C ATOM 175 CD GLN A 14 4.775 -2.415 13.194 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.022 -3.187 13.789 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.029 -2.730 12.891 1.00 0.00 N ATOM 0 H GLN A 14 3.033 -2.968 12.027 1.00 0.00 H new ATOM 0 HA GLN A 14 0.866 -1.334 12.538 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.718 0.290 13.318 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.631 -1.284 14.082 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.417 -0.937 11.689 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.934 -0.282 13.230 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.618 -2.060 12.397 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.403 -3.642 13.152 1.00 0.00 H new ATOM 186 N LEU A 15 0.547 0.231 10.659 1.00 0.00 N ATOM 187 CA LEU A 15 0.328 1.221 9.610 1.00 0.00 C ATOM 188 C LEU A 15 0.337 2.634 10.183 1.00 0.00 C ATOM 189 O LEU A 15 -0.631 3.066 10.810 1.00 0.00 O ATOM 190 CB LEU A 15 -1.000 0.954 8.900 1.00 0.00 C ATOM 191 CG LEU A 15 -1.568 2.113 8.080 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.895 2.183 6.717 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.075 1.970 7.926 1.00 0.00 C ATOM 0 H LEU A 15 -0.304 -0.087 11.123 1.00 0.00 H new ATOM 0 HA LEU A 15 1.142 1.137 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.870 0.097 8.239 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.739 0.669 9.649 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.364 3.043 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.312 3.014 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.177 2.334 6.848 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.067 1.251 6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.462 2.804 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.301 1.033 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.543 1.971 8.910 1.00 0.00 H new ATOM 205 N SER A 16 1.434 3.350 9.962 1.00 0.00 N ATOM 206 CA SER A 16 1.569 4.715 10.459 1.00 0.00 C ATOM 207 C SER A 16 1.551 5.716 9.307 1.00 0.00 C ATOM 208 O SER A 16 1.747 5.350 8.148 1.00 0.00 O ATOM 209 CB SER A 16 2.865 4.863 11.258 1.00 0.00 C ATOM 210 OG SER A 16 2.664 4.534 12.621 1.00 0.00 O ATOM 0 H SER A 16 2.242 3.008 9.442 1.00 0.00 H new ATOM 0 HA SER A 16 0.722 4.924 11.112 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.633 4.216 10.834 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.230 5.887 11.178 1.00 0.00 H new ATOM 0 HG SER A 16 3.507 4.635 13.110 1.00 0.00 H new ATOM 216 N VAL A 17 1.314 6.982 9.636 1.00 0.00 N ATOM 217 CA VAL A 17 1.271 8.037 8.631 1.00 0.00 C ATOM 218 C VAL A 17 2.461 8.979 8.771 1.00 0.00 C ATOM 219 O VAL A 17 2.802 9.408 9.874 1.00 0.00 O ATOM 220 CB VAL A 17 -0.031 8.855 8.732 1.00 0.00 C ATOM 221 CG1 VAL A 17 0.113 10.181 8.001 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.204 8.058 8.181 1.00 0.00 C ATOM 0 H VAL A 17 1.149 7.302 10.590 1.00 0.00 H new ATOM 0 HA VAL A 17 1.311 7.548 7.658 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.226 9.067 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.816 10.745 8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.926 10.755 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.333 9.995 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.116 8.650 8.260 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.019 7.814 7.135 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.319 7.137 8.753 1.00 0.00 H new ATOM 232 N THR A 18 3.092 9.298 7.645 1.00 0.00 N ATOM 233 CA THR A 18 4.246 10.188 7.642 1.00 0.00 C ATOM 234 C THR A 18 4.051 11.337 6.659 1.00 0.00 C ATOM 235 O THR A 18 3.287 11.223 5.700 1.00 0.00 O ATOM 236 CB THR A 18 5.538 9.432 7.281 1.00 0.00 C ATOM 237 OG1 THR A 18 5.605 9.223 5.866 1.00 0.00 O ATOM 238 CG2 THR A 18 5.600 8.093 8.000 1.00 0.00 C ATOM 0 H THR A 18 2.823 8.953 6.724 1.00 0.00 H new ATOM 0 HA THR A 18 4.339 10.589 8.651 1.00 0.00 H new ATOM 0 HB THR A 18 6.387 10.037 7.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.430 8.743 5.645 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.521 7.577 7.729 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.579 8.257 9.077 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.744 7.484 7.709 1.00 0.00 H new ATOM 246 N ASP A 19 4.748 12.442 6.901 1.00 0.00 N ATOM 247 CA ASP A 19 4.652 13.611 6.035 1.00 0.00 C ATOM 248 C ASP A 19 3.242 14.192 6.060 1.00 0.00 C ATOM 249 O ASP A 19 2.710 14.602 5.028 1.00 0.00 O ATOM 250 CB ASP A 19 5.041 13.244 4.602 1.00 0.00 C ATOM 251 CG ASP A 19 6.527 13.404 4.347 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.170 14.199 5.063 1.00 0.00 O ATOM 253 OD2 ASP A 19 7.047 12.733 3.430 1.00 0.00 O ATOM 0 H ASP A 19 5.385 12.552 7.690 1.00 0.00 H new ATOM 0 HA ASP A 19 5.343 14.367 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.750 12.213 4.402 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.486 13.872 3.906 1.00 0.00 H new ATOM 258 N VAL A 20 2.641 14.224 7.245 1.00 0.00 N ATOM 259 CA VAL A 20 1.292 14.754 7.405 1.00 0.00 C ATOM 260 C VAL A 20 1.160 16.124 6.748 1.00 0.00 C ATOM 261 O VAL A 20 1.670 17.122 7.259 1.00 0.00 O ATOM 262 CB VAL A 20 0.907 14.870 8.891 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.588 15.111 9.038 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.330 13.621 9.650 1.00 0.00 C ATOM 0 H VAL A 20 3.067 13.889 8.109 1.00 0.00 H new ATOM 0 HA VAL A 20 0.616 14.053 6.917 1.00 0.00 H new ATOM 0 HB VAL A 20 1.433 15.724 9.319 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.842 15.190 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.859 16.036 8.529 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.136 14.279 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.050 13.720 10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.833 12.750 9.223 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.410 13.497 9.573 1.00 0.00 H new ATOM 274 N THR A 21 0.470 16.166 5.613 1.00 0.00 N ATOM 275 CA THR A 21 0.270 17.413 4.885 1.00 0.00 C ATOM 276 C THR A 21 -0.959 18.156 5.396 1.00 0.00 C ATOM 277 O THR A 21 -1.841 17.565 6.021 1.00 0.00 O ATOM 278 CB THR A 21 0.113 17.163 3.374 1.00 0.00 C ATOM 279 OG1 THR A 21 1.000 16.119 2.955 1.00 0.00 O ATOM 280 CG2 THR A 21 0.404 18.429 2.583 1.00 0.00 C ATOM 0 H THR A 21 0.040 15.350 5.177 1.00 0.00 H new ATOM 0 HA THR A 21 1.157 18.023 5.054 1.00 0.00 H new ATOM 0 HB THR A 21 -0.917 16.863 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.893 15.965 1.993 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.287 18.228 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.291 19.213 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.425 18.755 2.780 1.00 0.00 H new ATOM 288 N THR A 22 -1.014 19.457 5.126 1.00 0.00 N ATOM 289 CA THR A 22 -2.135 20.281 5.558 1.00 0.00 C ATOM 290 C THR A 22 -3.466 19.609 5.241 1.00 0.00 C ATOM 291 O THR A 22 -4.352 19.532 6.092 1.00 0.00 O ATOM 292 CB THR A 22 -2.102 21.669 4.891 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.828 21.534 3.492 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.047 22.555 5.536 1.00 0.00 C ATOM 0 H THR A 22 -0.294 19.962 4.610 1.00 0.00 H new ATOM 0 HA THR A 22 -2.040 20.402 6.637 1.00 0.00 H new ATOM 0 HB THR A 22 -3.078 22.136 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.810 22.421 3.075 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.043 23.530 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.275 22.680 6.595 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.067 22.091 5.428 1.00 0.00 H new ATOM 302 N SER A 23 -3.600 19.121 4.011 1.00 0.00 N ATOM 303 CA SER A 23 -4.825 18.458 3.581 1.00 0.00 C ATOM 304 C SER A 23 -4.515 17.107 2.944 1.00 0.00 C ATOM 305 O SER A 23 -5.302 16.586 2.153 1.00 0.00 O ATOM 306 CB SER A 23 -5.586 19.339 2.590 1.00 0.00 C ATOM 307 OG SER A 23 -6.859 18.791 2.292 1.00 0.00 O ATOM 0 H SER A 23 -2.875 19.173 3.295 1.00 0.00 H new ATOM 0 HA SER A 23 -5.448 18.292 4.460 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.706 20.339 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.007 19.442 1.672 1.00 0.00 H new ATOM 0 HG SER A 23 -7.532 19.186 2.884 1.00 0.00 H new ATOM 313 N SER A 24 -3.363 16.544 3.293 1.00 0.00 N ATOM 314 CA SER A 24 -2.946 15.255 2.753 1.00 0.00 C ATOM 315 C SER A 24 -1.978 14.556 3.702 1.00 0.00 C ATOM 316 O SER A 24 -1.623 15.093 4.753 1.00 0.00 O ATOM 317 CB SER A 24 -2.290 15.441 1.383 1.00 0.00 C ATOM 318 OG SER A 24 -2.971 16.422 0.621 1.00 0.00 O ATOM 0 H SER A 24 -2.701 16.960 3.948 1.00 0.00 H new ATOM 0 HA SER A 24 -3.833 14.631 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.248 15.735 1.512 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.290 14.493 0.845 1.00 0.00 H new ATOM 0 HG SER A 24 -2.532 16.523 -0.249 1.00 0.00 H new ATOM 324 N LEU A 25 -1.554 13.355 3.326 1.00 0.00 N ATOM 325 CA LEU A 25 -0.627 12.580 4.142 1.00 0.00 C ATOM 326 C LEU A 25 -0.186 11.314 3.414 1.00 0.00 C ATOM 327 O LEU A 25 -0.684 11.004 2.332 1.00 0.00 O ATOM 328 CB LEU A 25 -1.276 12.213 5.478 1.00 0.00 C ATOM 329 CG LEU A 25 -2.796 12.045 5.462 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.174 10.660 4.962 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.374 12.291 6.848 1.00 0.00 C ATOM 0 H LEU A 25 -1.838 12.896 2.460 1.00 0.00 H new ATOM 0 HA LEU A 25 0.253 13.195 4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.831 11.283 5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.023 12.984 6.206 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.217 12.782 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.259 10.558 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.792 10.522 3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.742 9.905 5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.457 12.167 6.818 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.947 11.577 7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.133 13.305 7.168 1.00 0.00 H new ATOM 343 N ARG A 26 0.749 10.586 4.015 1.00 0.00 N ATOM 344 CA ARG A 26 1.256 9.354 3.424 1.00 0.00 C ATOM 345 C ARG A 26 1.235 8.215 4.439 1.00 0.00 C ATOM 346 O ARG A 26 1.421 8.433 5.637 1.00 0.00 O ATOM 347 CB ARG A 26 2.680 9.561 2.903 1.00 0.00 C ATOM 348 CG ARG A 26 3.256 8.340 2.205 1.00 0.00 C ATOM 349 CD ARG A 26 4.732 8.524 1.888 1.00 0.00 C ATOM 350 NE ARG A 26 5.366 7.271 1.487 1.00 0.00 N ATOM 351 CZ ARG A 26 6.605 7.193 1.014 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.338 8.290 0.884 1.00 0.00 N ATOM 353 NH2 ARG A 26 7.112 6.016 0.670 1.00 0.00 N ATOM 0 H ARG A 26 1.171 10.828 4.911 1.00 0.00 H new ATOM 0 HA ARG A 26 0.607 9.087 2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.686 10.402 2.210 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.327 9.831 3.737 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.125 7.462 2.838 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.705 8.153 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.843 9.258 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.243 8.925 2.763 1.00 0.00 H new ATOM 0 HE ARG A 26 4.828 6.409 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.951 9.196 1.147 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.289 8.228 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.550 5.170 0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.063 5.957 0.307 1.00 0.00 H new ATOM 367 N LEU A 27 1.005 7.000 3.953 1.00 0.00 N ATOM 368 CA LEU A 27 0.959 5.826 4.818 1.00 0.00 C ATOM 369 C LEU A 27 2.106 4.872 4.503 1.00 0.00 C ATOM 370 O LEU A 27 2.712 4.945 3.434 1.00 0.00 O ATOM 371 CB LEU A 27 -0.380 5.103 4.657 1.00 0.00 C ATOM 372 CG LEU A 27 -1.570 5.724 5.389 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.871 5.373 4.685 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.604 5.263 6.839 1.00 0.00 C ATOM 0 H LEU A 27 0.848 6.802 2.965 1.00 0.00 H new ATOM 0 HA LEU A 27 1.063 6.161 5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.618 5.054 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.260 4.077 5.005 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.455 6.808 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.707 5.823 5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.846 5.753 3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.994 4.290 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.457 5.715 7.345 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.695 4.177 6.874 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.684 5.566 7.339 1.00 0.00 H new ATOM 386 N ASN A 28 2.399 3.976 5.440 1.00 0.00 N ATOM 387 CA ASN A 28 3.473 3.006 5.261 1.00 0.00 C ATOM 388 C ASN A 28 3.231 1.764 6.113 1.00 0.00 C ATOM 389 O ASN A 28 3.168 1.843 7.340 1.00 0.00 O ATOM 390 CB ASN A 28 4.820 3.633 5.625 1.00 0.00 C ATOM 391 CG ASN A 28 5.122 4.871 4.803 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.611 4.778 3.677 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.832 6.039 5.364 1.00 0.00 N ATOM 0 H ASN A 28 1.908 3.902 6.331 1.00 0.00 H new ATOM 0 HA ASN A 28 3.490 2.708 4.213 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.822 3.893 6.683 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.612 2.899 5.476 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.014 6.906 4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.427 6.069 6.300 1.00 0.00 H new ATOM 400 N TRP A 29 3.097 0.618 5.455 1.00 0.00 N ATOM 401 CA TRP A 29 2.862 -0.641 6.152 1.00 0.00 C ATOM 402 C TRP A 29 3.759 -1.744 5.600 1.00 0.00 C ATOM 403 O TRP A 29 4.225 -1.666 4.464 1.00 0.00 O ATOM 404 CB TRP A 29 1.394 -1.051 6.028 1.00 0.00 C ATOM 405 CG TRP A 29 0.943 -1.221 4.608 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.907 -2.385 3.894 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.465 -0.195 3.732 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.436 -2.143 2.626 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.157 -0.808 2.502 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.266 1.181 3.867 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.338 -0.090 1.416 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.225 1.892 2.789 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.523 1.256 1.576 1.00 0.00 C ATOM 0 H TRP A 29 3.147 0.535 4.440 1.00 0.00 H new ATOM 0 HA TRP A 29 3.103 -0.495 7.205 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.239 -1.986 6.566 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.772 -0.298 6.512 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.205 -3.352 4.270 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.314 -2.844 1.895 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.492 1.680 4.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.568 -0.579 0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.382 2.956 2.883 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.906 1.840 0.752 1.00 0.00 H new ATOM 424 N GLU A 30 3.996 -2.770 6.411 1.00 0.00 N ATOM 425 CA GLU A 30 4.838 -3.888 6.002 1.00 0.00 C ATOM 426 C GLU A 30 4.008 -5.156 5.820 1.00 0.00 C ATOM 427 O GLU A 30 3.201 -5.511 6.678 1.00 0.00 O ATOM 428 CB GLU A 30 5.939 -4.131 7.036 1.00 0.00 C ATOM 429 CG GLU A 30 6.748 -5.391 6.780 1.00 0.00 C ATOM 430 CD GLU A 30 7.515 -5.336 5.473 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.156 -4.299 5.205 1.00 0.00 O ATOM 432 OE2 GLU A 30 7.474 -6.330 4.718 1.00 0.00 O ATOM 0 H GLU A 30 3.617 -2.850 7.355 1.00 0.00 H new ATOM 0 HA GLU A 30 5.296 -3.634 5.046 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.612 -3.273 7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.488 -4.194 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.448 -5.542 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.079 -6.252 6.769 1.00 0.00 H new ATOM 439 N ALA A 31 4.213 -5.833 4.695 1.00 0.00 N ATOM 440 CA ALA A 31 3.486 -7.061 4.399 1.00 0.00 C ATOM 441 C ALA A 31 4.386 -8.078 3.704 1.00 0.00 C ATOM 442 O ALA A 31 5.203 -7.737 2.848 1.00 0.00 O ATOM 443 CB ALA A 31 2.267 -6.759 3.541 1.00 0.00 C ATOM 0 H ALA A 31 4.877 -5.552 3.974 1.00 0.00 H new ATOM 0 HA ALA A 31 3.154 -7.494 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.734 -7.685 3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.607 -6.075 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.586 -6.300 2.605 1.00 0.00 H new ATOM 449 N PRO A 32 4.234 -9.357 4.079 1.00 0.00 N ATOM 450 CA PRO A 32 5.025 -10.449 3.504 1.00 0.00 C ATOM 451 C PRO A 32 4.656 -10.729 2.051 1.00 0.00 C ATOM 452 O PRO A 32 3.557 -10.415 1.593 1.00 0.00 O ATOM 453 CB PRO A 32 4.669 -11.648 4.387 1.00 0.00 C ATOM 454 CG PRO A 32 3.319 -11.329 4.931 1.00 0.00 C ATOM 455 CD PRO A 32 3.280 -9.835 5.093 1.00 0.00 C ATOM 0 HA PRO A 32 6.090 -10.216 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.656 -12.574 3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.397 -11.781 5.187 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.535 -11.669 4.254 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.155 -11.829 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.279 -9.438 4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.576 -9.532 6.097 1.00 0.00 H new ATOM 463 N PRO A 33 5.594 -11.335 1.308 1.00 0.00 N ATOM 464 CA PRO A 33 5.389 -11.672 -0.104 1.00 0.00 C ATOM 465 C PRO A 33 4.376 -12.795 -0.291 1.00 0.00 C ATOM 466 O PRO A 33 4.342 -13.750 0.484 1.00 0.00 O ATOM 467 CB PRO A 33 6.778 -12.121 -0.566 1.00 0.00 C ATOM 468 CG PRO A 33 7.453 -12.598 0.673 1.00 0.00 C ATOM 469 CD PRO A 33 6.926 -11.738 1.789 1.00 0.00 C ATOM 0 HA PRO A 33 4.987 -10.831 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.710 -12.914 -1.311 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.328 -11.299 -1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.236 -13.650 0.855 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.536 -12.506 0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.865 -12.290 2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.567 -10.875 1.968 1.00 0.00 H new ATOM 477 N GLY A 34 3.549 -12.675 -1.326 1.00 0.00 N ATOM 478 CA GLY A 34 2.546 -13.688 -1.596 1.00 0.00 C ATOM 479 C GLY A 34 1.499 -13.772 -0.504 1.00 0.00 C ATOM 480 O GLY A 34 0.946 -14.841 -0.245 1.00 0.00 O ATOM 0 H GLY A 34 3.556 -11.894 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.059 -13.468 -2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.033 -14.657 -1.704 1.00 0.00 H new ATOM 484 N ALA A 35 1.226 -12.643 0.141 1.00 0.00 N ATOM 485 CA ALA A 35 0.238 -12.593 1.211 1.00 0.00 C ATOM 486 C ALA A 35 -1.019 -11.855 0.765 1.00 0.00 C ATOM 487 O ALA A 35 -2.128 -12.183 1.187 1.00 0.00 O ATOM 488 CB ALA A 35 0.830 -11.931 2.447 1.00 0.00 C ATOM 0 H ALA A 35 1.676 -11.750 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.042 -13.617 1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.080 -11.901 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.694 -12.502 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.140 -10.915 2.202 1.00 0.00 H new ATOM 494 N PHE A 36 -0.839 -10.854 -0.092 1.00 0.00 N ATOM 495 CA PHE A 36 -1.959 -10.067 -0.594 1.00 0.00 C ATOM 496 C PHE A 36 -1.690 -9.585 -2.017 1.00 0.00 C ATOM 497 O PHE A 36 -0.629 -9.030 -2.305 1.00 0.00 O ATOM 498 CB PHE A 36 -2.221 -8.870 0.322 1.00 0.00 C ATOM 499 CG PHE A 36 -2.105 -9.197 1.783 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.085 -9.943 2.419 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.018 -8.758 2.521 1.00 0.00 C ATOM 502 CE1 PHE A 36 -2.981 -10.244 3.764 1.00 0.00 C ATOM 503 CE2 PHE A 36 -0.909 -9.057 3.866 1.00 0.00 C ATOM 504 CZ PHE A 36 -1.892 -9.802 4.488 1.00 0.00 C ATOM 0 H PHE A 36 0.072 -10.569 -0.453 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.843 -10.705 -0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.516 -8.075 0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.220 -8.482 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.939 -10.293 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.247 -8.175 2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.752 -10.825 4.248 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.056 -8.709 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.809 -10.038 5.539 1.00 0.00 H new ATOM 514 N ASP A 37 -2.657 -9.801 -2.901 1.00 0.00 N ATOM 515 CA ASP A 37 -2.526 -9.388 -4.294 1.00 0.00 C ATOM 516 C ASP A 37 -2.587 -7.869 -4.418 1.00 0.00 C ATOM 517 O ASP A 37 -1.893 -7.275 -5.244 1.00 0.00 O ATOM 518 CB ASP A 37 -3.626 -10.026 -5.143 1.00 0.00 C ATOM 519 CG ASP A 37 -3.408 -9.814 -6.628 1.00 0.00 C ATOM 520 OD1 ASP A 37 -2.356 -10.251 -7.142 1.00 0.00 O ATOM 521 OD2 ASP A 37 -4.289 -9.213 -7.277 1.00 0.00 O ATOM 0 H ASP A 37 -3.540 -10.260 -2.678 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.556 -9.726 -4.658 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.668 -11.095 -4.934 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.591 -9.607 -4.857 1.00 0.00 H new ATOM 526 N SER A 38 -3.422 -7.245 -3.593 1.00 0.00 N ATOM 527 CA SER A 38 -3.577 -5.796 -3.614 1.00 0.00 C ATOM 528 C SER A 38 -3.966 -5.271 -2.235 1.00 0.00 C ATOM 529 O SER A 38 -4.158 -6.043 -1.296 1.00 0.00 O ATOM 530 CB SER A 38 -4.634 -5.389 -4.643 1.00 0.00 C ATOM 531 OG SER A 38 -5.774 -6.226 -4.560 1.00 0.00 O ATOM 0 H SER A 38 -4.002 -7.721 -2.902 1.00 0.00 H new ATOM 0 HA SER A 38 -2.619 -5.358 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.927 -4.352 -4.478 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.210 -5.444 -5.646 1.00 0.00 H new ATOM 0 HG SER A 38 -6.436 -5.945 -5.226 1.00 0.00 H new ATOM 537 N PHE A 39 -4.079 -3.952 -2.121 1.00 0.00 N ATOM 538 CA PHE A 39 -4.443 -3.322 -0.858 1.00 0.00 C ATOM 539 C PHE A 39 -5.500 -2.242 -1.073 1.00 0.00 C ATOM 540 O PHE A 39 -5.264 -1.257 -1.773 1.00 0.00 O ATOM 541 CB PHE A 39 -3.207 -2.715 -0.191 1.00 0.00 C ATOM 542 CG PHE A 39 -2.449 -3.689 0.665 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.081 -4.361 1.698 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.104 -3.931 0.438 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.387 -5.259 2.488 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.404 -4.827 1.224 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.046 -5.491 2.251 1.00 0.00 C ATOM 0 H PHE A 39 -3.924 -3.299 -2.889 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.860 -4.089 -0.206 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.542 -2.327 -0.962 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.514 -1.867 0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.129 -4.181 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.596 -3.413 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.892 -5.778 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.644 -5.008 1.035 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.501 -6.190 2.868 1.00 0.00 H new ATOM 557 N LEU A 40 -6.666 -2.436 -0.467 1.00 0.00 N ATOM 558 CA LEU A 40 -7.761 -1.480 -0.592 1.00 0.00 C ATOM 559 C LEU A 40 -7.897 -0.639 0.673 1.00 0.00 C ATOM 560 O LEU A 40 -8.375 -1.118 1.702 1.00 0.00 O ATOM 561 CB LEU A 40 -9.074 -2.213 -0.874 1.00 0.00 C ATOM 562 CG LEU A 40 -10.201 -1.366 -1.468 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.763 -0.744 -2.785 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.454 -2.208 -1.664 1.00 0.00 C ATOM 0 H LEU A 40 -6.878 -3.246 0.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.536 -0.815 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.867 -3.037 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.429 -2.652 0.058 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.433 -0.562 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.577 -0.145 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.894 -0.108 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.503 -1.533 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.245 -1.590 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.236 -3.033 -2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.779 -2.606 -0.703 1.00 0.00 H new ATOM 576 N LEU A 41 -7.474 0.618 0.589 1.00 0.00 N ATOM 577 CA LEU A 41 -7.550 1.528 1.727 1.00 0.00 C ATOM 578 C LEU A 41 -8.830 2.356 1.678 1.00 0.00 C ATOM 579 O LEU A 41 -9.138 2.980 0.662 1.00 0.00 O ATOM 580 CB LEU A 41 -6.332 2.453 1.748 1.00 0.00 C ATOM 581 CG LEU A 41 -6.295 3.490 2.871 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.612 2.918 4.103 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.589 4.755 2.406 1.00 0.00 C ATOM 0 H LEU A 41 -7.075 1.030 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.560 0.930 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.435 1.838 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.283 2.978 0.794 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.321 3.747 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.595 3.670 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.160 2.042 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.591 2.632 3.853 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.572 5.482 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.567 4.515 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.121 5.176 1.553 1.00 0.00 H new ATOM 595 N ARG A 42 -9.570 2.358 2.781 1.00 0.00 N ATOM 596 CA ARG A 42 -10.817 3.110 2.864 1.00 0.00 C ATOM 597 C ARG A 42 -10.730 4.189 3.939 1.00 0.00 C ATOM 598 O ARG A 42 -10.593 3.889 5.126 1.00 0.00 O ATOM 599 CB ARG A 42 -11.986 2.170 3.163 1.00 0.00 C ATOM 600 CG ARG A 42 -12.614 1.563 1.919 1.00 0.00 C ATOM 601 CD ARG A 42 -13.598 0.460 2.273 1.00 0.00 C ATOM 602 NE ARG A 42 -14.461 0.114 1.147 1.00 0.00 N ATOM 603 CZ ARG A 42 -15.583 -0.587 1.268 1.00 0.00 C ATOM 604 NH1 ARG A 42 -15.974 -1.015 2.460 1.00 0.00 N ATOM 605 NH2 ARG A 42 -16.315 -0.861 0.196 1.00 0.00 N ATOM 0 H ARG A 42 -9.328 1.847 3.630 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.986 3.593 1.901 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.638 1.367 3.813 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.750 2.718 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -13.126 2.341 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.832 1.161 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.050 -0.425 2.595 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.212 0.779 3.116 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.187 0.428 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.413 -0.806 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.836 -1.553 2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.017 -0.533 -0.723 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -17.176 -1.399 0.290 1.00 0.00 H new ATOM 619 N PHE A 43 -10.810 5.446 3.516 1.00 0.00 N ATOM 620 CA PHE A 43 -10.738 6.571 4.442 1.00 0.00 C ATOM 621 C PHE A 43 -12.083 7.286 4.534 1.00 0.00 C ATOM 622 O PHE A 43 -12.602 7.786 3.537 1.00 0.00 O ATOM 623 CB PHE A 43 -9.654 7.555 4.001 1.00 0.00 C ATOM 624 CG PHE A 43 -9.613 7.776 2.515 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.204 6.764 1.662 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.984 8.995 1.973 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.166 6.963 0.295 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.949 9.201 0.606 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.538 8.184 -0.233 1.00 0.00 C ATOM 0 H PHE A 43 -10.925 5.712 2.538 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.485 6.181 5.428 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.818 8.511 4.498 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.683 7.186 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.911 5.808 2.070 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.304 9.794 2.625 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.846 6.165 -0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.243 10.156 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.507 8.343 -1.301 1.00 0.00 H new ATOM 639 N GLY A 44 -12.643 7.329 5.739 1.00 0.00 N ATOM 640 CA GLY A 44 -13.923 7.984 5.940 1.00 0.00 C ATOM 641 C GLY A 44 -13.891 8.983 7.079 1.00 0.00 C ATOM 642 O GLY A 44 -12.990 8.950 7.918 1.00 0.00 O ATOM 0 H GLY A 44 -12.233 6.922 6.580 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.215 8.494 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.685 7.231 6.142 1.00 0.00 H new ATOM 646 N VAL A 45 -14.875 9.875 7.110 1.00 0.00 N ATOM 647 CA VAL A 45 -14.956 10.889 8.155 1.00 0.00 C ATOM 648 C VAL A 45 -15.649 10.342 9.398 1.00 0.00 C ATOM 649 O VAL A 45 -16.854 10.086 9.406 1.00 0.00 O ATOM 650 CB VAL A 45 -15.712 12.139 7.667 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.757 13.196 8.760 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.067 12.692 6.406 1.00 0.00 C ATOM 0 H VAL A 45 -15.628 9.916 6.423 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.933 11.168 8.406 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.737 11.853 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.295 14.072 8.397 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.267 12.793 9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.741 13.481 9.032 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.614 13.575 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.032 12.963 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.092 11.935 5.622 1.00 0.00 H new ATOM 662 N PRO A 46 -14.873 10.159 10.477 1.00 0.00 N ATOM 663 CA PRO A 46 -15.391 9.642 11.747 1.00 0.00 C ATOM 664 C PRO A 46 -16.302 10.641 12.451 1.00 0.00 C ATOM 665 O PRO A 46 -15.845 11.675 12.940 1.00 0.00 O ATOM 666 CB PRO A 46 -14.126 9.397 12.573 1.00 0.00 C ATOM 667 CG PRO A 46 -13.116 10.335 12.006 1.00 0.00 C ATOM 668 CD PRO A 46 -13.429 10.443 10.539 1.00 0.00 C ATOM 0 HA PRO A 46 -16.003 8.751 11.605 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.300 9.594 13.631 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.794 8.362 12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.174 11.310 12.490 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.104 9.961 12.163 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.197 11.435 10.151 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.853 9.728 9.951 1.00 0.00 H new ATOM 923 N GLU A 62 -11.315 5.314 -2.154 1.00 0.00 N ATOM 924 CA GLU A 62 -10.395 4.256 -1.754 1.00 0.00 C ATOM 925 C GLU A 62 -9.183 4.209 -2.681 1.00 0.00 C ATOM 926 O GLU A 62 -9.254 4.632 -3.836 1.00 0.00 O ATOM 927 CB GLU A 62 -11.107 2.901 -1.758 1.00 0.00 C ATOM 928 CG GLU A 62 -11.825 2.596 -3.062 1.00 0.00 C ATOM 929 CD GLU A 62 -10.940 1.877 -4.061 1.00 0.00 C ATOM 930 OE1 GLU A 62 -9.704 2.042 -3.984 1.00 0.00 O ATOM 931 OE2 GLU A 62 -11.482 1.151 -4.920 1.00 0.00 O ATOM 0 HA GLU A 62 -10.050 4.474 -0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.377 2.116 -1.562 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.828 2.876 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.703 1.985 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.182 3.527 -3.502 1.00 0.00 H new ATOM 938 N LEU A 63 -8.073 3.693 -2.167 1.00 0.00 N ATOM 939 CA LEU A 63 -6.844 3.590 -2.947 1.00 0.00 C ATOM 940 C LEU A 63 -6.605 2.153 -3.400 1.00 0.00 C ATOM 941 O LEU A 63 -7.088 1.208 -2.778 1.00 0.00 O ATOM 942 CB LEU A 63 -5.652 4.083 -2.125 1.00 0.00 C ATOM 943 CG LEU A 63 -4.442 4.570 -2.923 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.734 5.916 -3.567 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.214 4.659 -2.029 1.00 0.00 C ATOM 0 H LEU A 63 -7.998 3.339 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.951 4.217 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.990 4.897 -1.483 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.328 3.274 -1.470 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.239 3.849 -3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.862 6.247 -4.131 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.586 5.820 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.964 6.648 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.363 5.007 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.406 5.359 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.992 3.675 -1.616 1.00 0.00 H new ATOM 957 N MET A 64 -5.856 1.998 -4.487 1.00 0.00 N ATOM 958 CA MET A 64 -5.550 0.676 -5.021 1.00 0.00 C ATOM 959 C MET A 64 -4.045 0.494 -5.191 1.00 0.00 C ATOM 960 O MET A 64 -3.433 1.094 -6.075 1.00 0.00 O ATOM 961 CB MET A 64 -6.256 0.468 -6.362 1.00 0.00 C ATOM 962 CG MET A 64 -6.584 -0.986 -6.658 1.00 0.00 C ATOM 963 SD MET A 64 -8.012 -1.169 -7.742 1.00 0.00 S ATOM 964 CE MET A 64 -9.187 -1.937 -6.629 1.00 0.00 C ATOM 0 H MET A 64 -5.450 2.771 -5.015 1.00 0.00 H new ATOM 0 HA MET A 64 -5.910 -0.068 -4.311 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.178 1.049 -6.371 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.625 0.859 -7.160 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.719 -1.463 -7.119 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.775 -1.509 -5.721 1.00 0.00 H new ATOM 0 HE1 MET A 64 -10.106 -2.163 -7.170 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.763 -2.860 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.408 -1.256 -5.807 1.00 0.00 H new ATOM 974 N VAL A 65 -3.454 -0.339 -4.340 1.00 0.00 N ATOM 975 CA VAL A 65 -2.021 -0.601 -4.397 1.00 0.00 C ATOM 976 C VAL A 65 -1.729 -2.091 -4.263 1.00 0.00 C ATOM 977 O VAL A 65 -2.308 -2.790 -3.432 1.00 0.00 O ATOM 978 CB VAL A 65 -1.266 0.161 -3.291 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.140 0.516 -3.750 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.035 1.410 -2.885 1.00 0.00 C ATOM 0 H VAL A 65 -3.946 -0.844 -3.603 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.674 -0.252 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.184 -0.487 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.657 1.054 -2.955 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.687 -0.397 -3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.085 1.146 -4.638 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.488 1.936 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.150 2.063 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.019 1.126 -2.511 1.00 0.00 H new ATOM 990 N PRO A 66 -0.807 -2.591 -5.099 1.00 0.00 N ATOM 991 CA PRO A 66 -0.416 -4.003 -5.093 1.00 0.00 C ATOM 992 C PRO A 66 0.372 -4.381 -3.843 1.00 0.00 C ATOM 993 O PRO A 66 1.036 -3.540 -3.238 1.00 0.00 O ATOM 994 CB PRO A 66 0.464 -4.133 -6.339 1.00 0.00 C ATOM 995 CG PRO A 66 1.000 -2.763 -6.569 1.00 0.00 C ATOM 996 CD PRO A 66 -0.076 -1.816 -6.116 1.00 0.00 C ATOM 0 HA PRO A 66 -1.282 -4.665 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.268 -4.852 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.112 -4.482 -7.196 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.921 -2.605 -6.007 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.238 -2.609 -7.621 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.344 -0.901 -5.699 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.725 -1.522 -6.940 1.00 0.00 H new ATOM 1004 N GLY A 67 0.294 -5.653 -3.462 1.00 0.00 N ATOM 1005 CA GLY A 67 1.006 -6.119 -2.286 1.00 0.00 C ATOM 1006 C GLY A 67 2.455 -5.676 -2.271 1.00 0.00 C ATOM 1007 O GLY A 67 2.971 -5.246 -1.239 1.00 0.00 O ATOM 0 H GLY A 67 -0.249 -6.368 -3.946 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.506 -5.747 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.962 -7.207 -2.246 1.00 0.00 H new ATOM 1011 N THR A 68 3.116 -5.782 -3.420 1.00 0.00 N ATOM 1012 CA THR A 68 4.516 -5.392 -3.535 1.00 0.00 C ATOM 1013 C THR A 68 4.721 -3.946 -3.099 1.00 0.00 C ATOM 1014 O THR A 68 5.820 -3.557 -2.701 1.00 0.00 O ATOM 1015 CB THR A 68 5.029 -5.559 -4.978 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.414 -5.204 -5.049 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.228 -4.695 -5.940 1.00 0.00 C ATOM 0 H THR A 68 2.704 -6.135 -4.284 1.00 0.00 H new ATOM 0 HA THR A 68 5.083 -6.051 -2.877 1.00 0.00 H new ATOM 0 HB THR A 68 4.907 -6.603 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.733 -5.314 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.608 -4.829 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.179 -4.988 -5.905 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.322 -3.648 -5.653 1.00 0.00 H new ATOM 1025 N ARG A 69 3.658 -3.153 -3.176 1.00 0.00 N ATOM 1026 CA ARG A 69 3.722 -1.748 -2.789 1.00 0.00 C ATOM 1027 C ARG A 69 2.860 -1.483 -1.559 1.00 0.00 C ATOM 1028 O ARG A 69 1.667 -1.790 -1.545 1.00 0.00 O ATOM 1029 CB ARG A 69 3.266 -0.857 -3.946 1.00 0.00 C ATOM 1030 CG ARG A 69 4.404 -0.386 -4.837 1.00 0.00 C ATOM 1031 CD ARG A 69 3.889 0.424 -6.017 1.00 0.00 C ATOM 1032 NE ARG A 69 4.978 0.968 -6.823 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.834 1.993 -7.657 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.653 2.581 -7.792 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.873 2.431 -8.357 1.00 0.00 N ATOM 0 H ARG A 69 2.742 -3.459 -3.503 1.00 0.00 H new ATOM 0 HA ARG A 69 4.757 -1.512 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.544 -1.404 -4.552 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.749 0.013 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.098 0.220 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.963 -1.248 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.256 -0.207 -6.641 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.265 1.240 -5.652 1.00 0.00 H new ATOM 0 HE ARG A 69 5.899 0.538 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.853 2.247 -7.255 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.545 3.367 -8.433 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.783 1.981 -8.255 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.762 3.218 -8.997 1.00 0.00 H new ATOM 1049 N HIS A 70 3.471 -0.911 -0.526 1.00 0.00 N ATOM 1050 CA HIS A 70 2.759 -0.605 0.710 1.00 0.00 C ATOM 1051 C HIS A 70 2.776 0.895 0.988 1.00 0.00 C ATOM 1052 O HIS A 70 3.400 1.352 1.945 1.00 0.00 O ATOM 1053 CB HIS A 70 3.384 -1.360 1.883 1.00 0.00 C ATOM 1054 CG HIS A 70 3.789 -2.761 1.546 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.963 -3.068 0.891 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.170 -3.942 1.779 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.048 -4.377 0.734 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.972 -4.931 1.264 1.00 0.00 N ATOM 0 H HIS A 70 4.457 -0.650 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 70 1.723 -0.924 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.259 -0.812 2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.673 -1.385 2.709 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.657 -2.390 0.577 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.222 -4.081 2.277 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.859 -4.904 0.254 1.00 0.00 H new ATOM 1067 N SER A 71 2.085 1.656 0.144 1.00 0.00 N ATOM 1068 CA SER A 71 2.024 3.105 0.297 1.00 0.00 C ATOM 1069 C SER A 71 0.632 3.629 -0.043 1.00 0.00 C ATOM 1070 O SER A 71 -0.071 3.059 -0.876 1.00 0.00 O ATOM 1071 CB SER A 71 3.067 3.778 -0.598 1.00 0.00 C ATOM 1072 OG SER A 71 2.983 3.298 -1.928 1.00 0.00 O ATOM 0 H SER A 71 1.560 1.293 -0.652 1.00 0.00 H new ATOM 0 HA SER A 71 2.240 3.345 1.338 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.918 4.858 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.065 3.591 -0.203 1.00 0.00 H new ATOM 0 HG SER A 71 3.658 3.745 -2.480 1.00 0.00 H new ATOM 1078 N ALA A 72 0.242 4.720 0.608 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.064 5.323 0.375 1.00 0.00 C ATOM 1080 C ALA A 72 -1.046 6.814 0.695 1.00 0.00 C ATOM 1081 O ALA A 72 -0.649 7.220 1.787 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.127 4.616 1.203 1.00 0.00 C ATOM 0 H ALA A 72 0.812 5.204 1.301 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.306 5.208 -0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.098 5.077 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.166 3.563 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.880 4.701 2.261 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.477 7.626 -0.265 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.510 9.072 -0.085 1.00 0.00 C ATOM 1090 C VAL A 73 -2.899 9.630 -0.377 1.00 0.00 C ATOM 1091 O VAL A 73 -3.418 9.487 -1.485 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.485 9.775 -0.995 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.565 11.284 -0.824 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.920 9.271 -0.702 1.00 0.00 C ATOM 0 H VAL A 73 -1.808 7.307 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.254 9.267 0.956 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.723 9.538 -2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.166 11.763 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.565 11.628 -1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.354 11.544 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.632 9.778 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.171 9.477 0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.966 8.197 -0.881 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.496 10.269 0.623 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.825 10.850 0.475 1.00 0.00 C ATOM 1106 C LEU A 74 -4.743 12.366 0.326 1.00 0.00 C ATOM 1107 O LEU A 74 -3.944 13.023 0.994 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.698 10.491 1.679 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.817 9.002 2.002 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.217 8.217 0.762 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.507 8.473 2.569 1.00 0.00 C ATOM 0 H LEU A 74 -3.080 10.398 1.545 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.276 10.438 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.300 11.002 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.699 10.886 1.507 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.595 8.875 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.297 7.159 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.179 8.578 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.462 8.351 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.610 7.411 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.711 8.614 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.261 9.015 3.482 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.576 12.915 -0.553 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.598 14.354 -0.789 1.00 0.00 C ATOM 1125 C ARG A 75 -7.001 14.917 -0.583 1.00 0.00 C ATOM 1126 O ARG A 75 -7.955 14.169 -0.366 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.113 14.667 -2.206 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.691 14.206 -2.479 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.659 12.783 -3.013 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.347 12.428 -3.548 1.00 0.00 N ATOM 1131 CZ ARG A 75 -2.150 11.444 -4.418 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -3.175 10.722 -4.851 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -0.926 11.181 -4.859 1.00 0.00 N ATOM 0 H ARG A 75 -6.244 12.385 -1.113 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.927 14.826 -0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.783 14.193 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.176 15.742 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.222 14.877 -3.199 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.106 14.264 -1.561 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.924 12.090 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.411 12.672 -3.794 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.538 12.965 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -4.117 10.922 -4.516 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.021 9.967 -5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.135 11.735 -4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.776 10.425 -5.527 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.118 16.238 -0.653 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.404 16.902 -0.474 1.00 0.00 C ATOM 1149 C ASP A 76 -9.010 16.558 0.883 1.00 0.00 C ATOM 1150 O ASP A 76 -10.201 16.264 0.987 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.368 16.502 -1.593 1.00 0.00 C ATOM 1152 CG ASP A 76 -8.913 16.993 -2.953 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -7.784 16.648 -3.361 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.686 17.722 -3.609 1.00 0.00 O ATOM 0 H ASP A 76 -6.338 16.870 -0.832 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.238 17.978 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.464 15.416 -1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.358 16.905 -1.377 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.182 16.597 1.921 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.635 16.289 3.273 1.00 0.00 C ATOM 1161 C LEU A 77 -9.029 17.560 4.018 1.00 0.00 C ATOM 1162 O LEU A 77 -9.025 18.652 3.449 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.539 15.551 4.044 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.951 14.317 3.359 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.007 13.583 4.299 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.062 13.390 2.885 1.00 0.00 C ATOM 0 H LEU A 77 -7.193 16.839 1.852 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.513 15.647 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.728 16.252 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.943 15.248 5.010 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.382 14.645 2.489 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.598 12.708 3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.193 14.247 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.552 13.267 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.625 12.517 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.658 13.070 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.699 13.918 2.176 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.367 17.411 5.295 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.762 18.547 6.119 1.00 0.00 C ATOM 1180 C ARG A 78 -8.559 19.133 6.851 1.00 0.00 C ATOM 1181 O ARG A 78 -7.434 18.657 6.696 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.831 18.125 7.128 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.780 19.247 7.515 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.154 18.711 7.887 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.253 18.396 9.309 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.401 18.146 9.929 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -15.542 18.173 9.254 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -14.409 17.867 11.226 1.00 0.00 N ATOM 0 H ARG A 78 -9.375 16.514 5.781 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.174 19.314 5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.408 17.301 6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.342 17.748 8.026 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.365 19.802 8.356 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.874 19.948 6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.913 19.448 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.364 17.816 7.302 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.393 18.366 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.540 18.386 8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.422 17.981 9.732 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.533 17.844 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.291 17.675 11.701 1.00 0.00 H new ATOM 1202 N SER A 79 -8.804 20.167 7.649 1.00 0.00 N ATOM 1203 CA SER A 79 -7.740 20.821 8.402 1.00 0.00 C ATOM 1204 C SER A 79 -7.739 20.357 9.855 1.00 0.00 C ATOM 1205 O SER A 79 -8.776 20.353 10.518 1.00 0.00 O ATOM 1206 CB SER A 79 -7.901 22.341 8.339 1.00 0.00 C ATOM 1207 OG SER A 79 -9.028 22.765 9.087 1.00 0.00 O ATOM 0 H SER A 79 -9.730 20.570 7.791 1.00 0.00 H new ATOM 0 HA SER A 79 -6.787 20.546 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.002 22.822 8.725 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.010 22.656 7.301 1.00 0.00 H new ATOM 0 HG SER A 79 -9.250 22.086 9.758 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.566 19.967 10.346 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.452 19.507 11.717 1.00 0.00 C ATOM 1215 C GLY A 80 -7.613 18.624 12.131 1.00 0.00 C ATOM 1216 O GLY A 80 -8.300 18.909 13.113 1.00 0.00 O ATOM 0 H GLY A 80 -5.693 19.962 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.520 18.955 11.835 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.399 20.368 12.383 1.00 0.00 H new ATOM 1220 N THR A 81 -7.834 17.549 11.381 1.00 0.00 N ATOM 1221 CA THR A 81 -8.921 16.624 11.674 1.00 0.00 C ATOM 1222 C THR A 81 -8.428 15.182 11.686 1.00 0.00 C ATOM 1223 O THR A 81 -7.558 14.806 10.899 1.00 0.00 O ATOM 1224 CB THR A 81 -10.062 16.755 10.648 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.572 18.094 10.650 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.187 15.779 10.961 1.00 0.00 C ATOM 0 H THR A 81 -7.274 17.298 10.566 1.00 0.00 H new ATOM 0 HA THR A 81 -9.299 16.884 12.663 1.00 0.00 H new ATOM 0 HB THR A 81 -9.662 16.520 9.662 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.841 18.723 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.981 15.890 10.223 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.803 14.759 10.930 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.584 15.987 11.955 1.00 0.00 H new ATOM 1234 N LEU A 82 -8.988 14.377 12.582 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.605 12.974 12.696 1.00 0.00 C ATOM 1236 C LEU A 82 -9.404 12.111 11.724 1.00 0.00 C ATOM 1237 O LEU A 82 -10.631 12.050 11.797 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.818 12.481 14.128 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.186 11.133 14.475 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.668 10.054 13.517 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.668 11.233 14.447 1.00 0.00 C ATOM 0 H LEU A 82 -9.709 14.672 13.240 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.548 12.890 12.443 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.422 13.232 14.812 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.890 12.415 14.312 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.494 10.858 15.484 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.207 9.102 13.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.752 9.964 13.586 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.390 10.322 12.498 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.235 10.264 14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.341 11.531 13.451 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.339 11.976 15.174 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.699 11.443 10.817 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.343 10.584 9.831 1.00 0.00 C ATOM 1255 C TYR A 83 -9.154 9.112 10.185 1.00 0.00 C ATOM 1256 O TYR A 83 -8.103 8.713 10.688 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.779 10.861 8.436 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.500 11.967 7.700 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.231 13.302 7.976 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.450 11.677 6.728 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.888 14.316 7.306 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.111 12.685 6.052 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.827 14.002 6.345 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.482 15.009 5.675 1.00 0.00 O ATOM 0 H TYR A 83 -7.682 11.480 10.745 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.410 10.806 9.835 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.725 11.123 8.525 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.832 9.947 7.844 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.496 13.551 8.727 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.676 10.646 6.497 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.668 15.349 7.533 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.846 12.442 5.299 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.110 14.619 5.031 1.00 0.00 H new ATOM 1274 N SER A 84 -10.179 8.309 9.919 1.00 0.00 N ATOM 1275 CA SER A 84 -10.129 6.882 10.212 1.00 0.00 C ATOM 1276 C SER A 84 -9.845 6.077 8.947 1.00 0.00 C ATOM 1277 O SER A 84 -10.700 5.957 8.068 1.00 0.00 O ATOM 1278 CB SER A 84 -11.447 6.421 10.837 1.00 0.00 C ATOM 1279 OG SER A 84 -11.394 5.048 11.186 1.00 0.00 O ATOM 0 H SER A 84 -11.055 8.623 9.501 1.00 0.00 H new ATOM 0 HA SER A 84 -9.319 6.711 10.921 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.660 7.017 11.724 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.264 6.590 10.136 1.00 0.00 H new ATOM 0 HG SER A 84 -12.248 4.779 11.585 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.638 5.528 8.861 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.239 4.734 7.704 1.00 0.00 C ATOM 1287 C LEU A 85 -8.364 3.243 7.997 1.00 0.00 C ATOM 1288 O LEU A 85 -8.231 2.811 9.143 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.801 5.068 7.303 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.405 6.542 7.391 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.917 6.679 7.672 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.776 7.272 6.108 1.00 0.00 C ATOM 0 H LEU A 85 -7.919 5.618 9.579 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.907 4.980 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.126 4.493 7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.643 4.731 6.279 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.954 6.997 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.654 7.735 7.731 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.679 6.192 8.618 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.350 6.208 6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.487 8.320 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.255 6.816 5.266 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.852 7.204 5.949 1.00 0.00 H new ATOM 1304 N THR A 86 -8.619 2.459 6.954 1.00 0.00 N ATOM 1305 CA THR A 86 -8.760 1.015 7.100 1.00 0.00 C ATOM 1306 C THR A 86 -8.248 0.286 5.863 1.00 0.00 C ATOM 1307 O THR A 86 -8.901 0.279 4.819 1.00 0.00 O ATOM 1308 CB THR A 86 -10.227 0.617 7.347 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.757 1.358 8.452 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.343 -0.874 7.628 1.00 0.00 C ATOM 0 H THR A 86 -8.732 2.800 5.999 1.00 0.00 H new ATOM 0 HA THR A 86 -8.162 0.723 7.964 1.00 0.00 H new ATOM 0 HB THR A 86 -10.799 0.847 6.448 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.691 1.100 8.601 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.388 -1.132 7.799 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.966 -1.436 6.773 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.758 -1.124 8.513 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.078 -0.330 5.987 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.478 -1.064 4.879 1.00 0.00 C ATOM 1320 C LEU A 87 -6.992 -2.500 4.836 1.00 0.00 C ATOM 1321 O LEU A 87 -7.304 -3.090 5.870 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.954 -1.060 5.003 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.175 -1.353 3.720 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.404 -0.255 2.694 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.690 -1.504 4.021 1.00 0.00 C ATOM 0 H LEU A 87 -6.526 -0.336 6.844 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.762 -0.567 3.951 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.643 -0.085 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.669 -1.797 5.754 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.538 -2.292 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.842 -0.481 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.466 -0.195 2.457 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.069 0.699 3.101 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.151 -1.712 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.312 -0.581 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.542 -2.327 4.720 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.076 -3.057 3.633 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.552 -4.424 3.454 1.00 0.00 C ATOM 1339 C TYR A 88 -6.586 -5.229 2.591 1.00 0.00 C ATOM 1340 O TYR A 88 -6.264 -4.839 1.470 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.943 -4.422 2.818 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.039 -3.974 3.758 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.501 -4.811 4.767 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.611 -2.714 3.638 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.503 -4.406 5.627 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.613 -2.300 4.495 1.00 0.00 C ATOM 1347 CZ TYR A 88 -12.055 -3.150 5.488 1.00 0.00 C ATOM 1348 OH TYR A 88 -13.052 -2.742 6.344 1.00 0.00 O ATOM 0 H TYR A 88 -6.821 -2.583 2.767 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.610 -4.894 4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.934 -3.767 1.946 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.171 -5.426 2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.069 -5.794 4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.267 -2.047 2.862 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.852 -5.070 6.404 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.047 -1.317 4.388 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.331 -1.832 6.111 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.126 -6.357 3.124 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.202 -7.201 2.389 1.00 0.00 C ATOM 1360 C GLY A 89 -5.911 -8.171 1.465 1.00 0.00 C ATOM 1361 O GLY A 89 -6.117 -9.334 1.814 1.00 0.00 O ATOM 0 H GLY A 89 -6.377 -6.701 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.529 -6.574 1.805 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.586 -7.760 3.094 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.287 -7.693 0.284 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.979 -8.526 -0.693 1.00 0.00 C ATOM 1367 C LEU A 90 -6.125 -9.725 -1.089 1.00 0.00 C ATOM 1368 O LEU A 90 -5.119 -9.581 -1.785 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.332 -7.704 -1.934 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.612 -6.873 -1.848 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.821 -7.774 -1.653 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.513 -5.857 -0.718 1.00 0.00 C ATOM 0 H LEU A 90 -6.124 -6.733 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.897 -8.894 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.501 -7.032 -2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.420 -8.383 -2.782 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.736 -6.332 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.723 -7.165 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.902 -8.462 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.706 -8.342 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.433 -5.274 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.365 -6.378 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.670 -5.191 -0.901 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.533 -10.909 -0.643 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.805 -12.134 -0.952 1.00 0.00 C ATOM 1386 C ARG A 91 -6.371 -12.802 -2.202 1.00 0.00 C ATOM 1387 O ARG A 91 -6.142 -13.987 -2.442 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.868 -13.102 0.230 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.636 -13.982 0.365 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.796 -15.286 -0.401 1.00 0.00 C ATOM 1391 NE ARG A 91 -3.930 -16.338 0.123 1.00 0.00 N ATOM 1392 CZ ARG A 91 -4.181 -17.635 -0.019 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -5.266 -18.037 -0.666 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -3.344 -18.533 0.486 1.00 0.00 N ATOM 0 H ARG A 91 -7.363 -11.046 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.764 -11.871 -1.141 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.998 -12.531 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.747 -13.737 0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -3.762 -13.446 -0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -4.455 -14.197 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.835 -15.612 -0.349 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.567 -15.119 -1.453 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.086 -16.062 0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.911 -17.350 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.456 -19.033 -0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -2.508 -18.228 0.983 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.537 -19.529 0.377 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.113 -12.034 -2.994 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.701 -12.569 -4.208 1.00 0.00 C ATOM 1410 C GLY A 92 -9.170 -12.222 -4.342 1.00 0.00 C ATOM 1411 O GLY A 92 -9.536 -11.097 -4.684 1.00 0.00 O ATOM 0 H GLY A 92 -7.317 -11.051 -2.816 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.159 -12.183 -5.071 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.584 -13.653 -4.218 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.042 -13.204 -4.070 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.493 -13.022 -4.156 1.00 0.00 C ATOM 1417 C PRO A 93 -12.029 -12.109 -3.058 1.00 0.00 C ATOM 1418 O PRO A 93 -12.751 -11.150 -3.332 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.040 -14.441 -3.986 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.987 -15.164 -3.220 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.676 -14.570 -3.656 1.00 0.00 C ATOM 0 HA PRO A 93 -11.789 -12.546 -5.091 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.988 -14.438 -3.449 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.222 -14.913 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.133 -15.043 -2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.019 -16.234 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.948 -14.563 -2.845 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.232 -15.134 -4.477 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.672 -12.414 -1.815 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.116 -11.620 -0.675 1.00 0.00 C ATOM 1431 C HIS A 94 -10.927 -11.158 0.162 1.00 0.00 C ATOM 1432 O HIS A 94 -9.847 -11.748 0.105 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.081 -12.429 0.192 1.00 0.00 C ATOM 1434 CG HIS A 94 -12.395 -13.339 1.164 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -12.926 -13.665 2.394 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -11.213 -13.994 1.080 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -12.100 -14.480 3.026 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -11.053 -14.696 2.250 1.00 0.00 N ATOM 0 H HIS A 94 -11.076 -13.205 -1.571 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.633 -10.740 -1.057 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.725 -11.743 0.742 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.727 -13.023 -0.455 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -10.524 -13.969 0.248 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -12.255 -14.898 4.010 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -10.255 -15.288 2.482 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.132 -10.100 0.939 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.078 -9.558 1.788 1.00 0.00 C ATOM 1449 C LYS A 95 -9.621 -10.591 2.814 1.00 0.00 C ATOM 1450 O LYS A 95 -10.436 -11.315 3.385 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.568 -8.297 2.503 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.213 -7.283 1.574 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.251 -6.443 2.299 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.086 -5.626 1.325 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.720 -4.452 1.986 1.00 0.00 N ATOM 0 H LYS A 95 -12.019 -9.600 0.998 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.230 -9.302 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.286 -8.581 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.726 -7.827 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.445 -6.632 1.155 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.683 -7.801 0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.903 -7.093 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.754 -5.775 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.455 -5.284 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -13.859 -6.259 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.280 -3.921 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.342 -4.779 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.981 -3.834 2.379 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.313 -10.652 3.043 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.749 -11.593 4.002 1.00 0.00 C ATOM 1471 C ALA A 96 -7.607 -10.954 5.380 1.00 0.00 C ATOM 1472 O ALA A 96 -8.134 -11.464 6.369 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.402 -12.102 3.512 1.00 0.00 C ATOM 0 H ALA A 96 -7.625 -10.061 2.577 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.433 -12.437 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.992 -12.804 4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.530 -12.605 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.717 -11.262 3.393 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.891 -9.837 5.437 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.679 -9.128 6.694 1.00 0.00 C ATOM 1481 C ASP A 97 -7.012 -7.647 6.545 1.00 0.00 C ATOM 1482 O ASP A 97 -7.348 -7.182 5.455 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.232 -9.294 7.160 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.102 -9.255 8.670 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -5.798 -10.042 9.346 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.304 -8.439 9.175 1.00 0.00 O ATOM 0 H ASP A 97 -6.447 -9.403 4.628 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.345 -9.558 7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.840 -10.241 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.620 -8.504 6.725 1.00 0.00 H new ATOM 1491 N SER A 98 -6.917 -6.910 7.647 1.00 0.00 N ATOM 1492 CA SER A 98 -7.213 -5.482 7.641 1.00 0.00 C ATOM 1493 C SER A 98 -6.578 -4.790 8.843 1.00 0.00 C ATOM 1494 O SER A 98 -6.331 -5.416 9.874 1.00 0.00 O ATOM 1495 CB SER A 98 -8.726 -5.253 7.647 1.00 0.00 C ATOM 1496 OG SER A 98 -9.039 -3.920 8.012 1.00 0.00 O ATOM 0 H SER A 98 -6.637 -7.278 8.556 1.00 0.00 H new ATOM 0 HA SER A 98 -6.791 -5.053 6.732 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.133 -5.468 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.199 -5.945 8.344 1.00 0.00 H new ATOM 0 HG SER A 98 -8.563 -3.299 7.422 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.316 -3.495 8.702 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.711 -2.717 9.776 1.00 0.00 C ATOM 1504 C ILE A 99 -6.345 -1.334 9.877 1.00 0.00 C ATOM 1505 O ILE A 99 -6.813 -0.781 8.882 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.193 -2.560 9.570 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.546 -1.962 10.821 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.910 -1.691 8.354 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.113 -2.400 11.029 1.00 0.00 C ATOM 0 H ILE A 99 -6.513 -2.962 7.855 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.889 -3.264 10.702 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.761 -3.546 9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.579 -0.875 10.752 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.134 -2.244 11.694 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.833 -1.590 8.222 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.342 -2.154 7.467 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.352 -0.705 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.719 -1.937 11.934 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.075 -3.485 11.130 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.511 -2.094 10.173 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.354 -0.781 11.086 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.929 0.539 11.316 1.00 0.00 C ATOM 1523 C GLN A 100 -5.842 1.557 11.645 1.00 0.00 C ATOM 1524 O GLN A 100 -5.166 1.450 12.668 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.951 0.481 12.453 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.279 -0.137 12.047 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.038 -0.717 13.224 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.778 -0.370 14.376 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -10.982 -1.607 12.940 1.00 0.00 N ATOM 0 H GLN A 100 -5.970 -1.226 11.920 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.430 0.854 10.401 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.531 -0.092 13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -8.128 1.491 12.823 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.894 0.620 11.561 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.100 -0.922 11.312 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.164 -1.865 11.970 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.525 -2.032 13.692 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.679 2.545 10.771 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.672 3.568 10.986 1.00 0.00 C ATOM 1540 C GLY A 101 -5.275 4.948 11.157 1.00 0.00 C ATOM 1541 O GLY A 101 -6.079 5.389 10.335 1.00 0.00 O ATOM 0 H GLY A 101 -6.226 2.656 9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.088 3.318 11.872 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.983 3.578 10.142 1.00 0.00 H new ATOM 1545 N THR A 102 -4.887 5.633 12.229 1.00 0.00 N ATOM 1546 CA THR A 102 -5.397 6.970 12.507 1.00 0.00 C ATOM 1547 C THR A 102 -4.343 8.031 12.215 1.00 0.00 C ATOM 1548 O THR A 102 -3.164 7.848 12.516 1.00 0.00 O ATOM 1549 CB THR A 102 -5.852 7.104 13.972 1.00 0.00 C ATOM 1550 OG1 THR A 102 -4.959 6.386 14.830 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.268 6.576 14.149 1.00 0.00 C ATOM 0 H THR A 102 -4.221 5.284 12.918 1.00 0.00 H new ATOM 0 HA THR A 102 -6.255 7.124 11.853 1.00 0.00 H new ATOM 0 HB THR A 102 -5.839 8.161 14.238 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.254 6.478 15.760 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.568 6.681 15.192 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.950 7.144 13.516 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.302 5.524 13.866 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.775 9.142 11.626 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.868 10.234 11.296 1.00 0.00 C ATOM 1561 C ALA A 103 -4.605 11.569 11.266 1.00 0.00 C ATOM 1562 O ALA A 103 -5.634 11.706 10.603 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.191 9.972 9.959 1.00 0.00 C ATOM 0 H ALA A 103 -5.748 9.309 11.368 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.105 10.287 12.072 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.516 10.796 9.725 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.624 9.043 10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.947 9.889 9.178 1.00 0.00 H new ATOM 1569 N ARG A 104 -4.073 12.550 11.987 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.682 13.874 12.043 1.00 0.00 C ATOM 1571 C ARG A 104 -3.905 14.867 11.184 1.00 0.00 C ATOM 1572 O ARG A 104 -2.741 15.163 11.456 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.740 14.371 13.489 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.668 15.558 13.688 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.508 16.164 15.073 1.00 0.00 C ATOM 1576 NE ARG A 104 -5.976 17.547 15.123 1.00 0.00 N ATOM 1577 CZ ARG A 104 -5.603 18.416 16.055 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -4.759 18.048 17.010 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -6.072 19.657 16.034 1.00 0.00 N ATOM 0 H ARG A 104 -3.222 12.453 12.541 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.696 13.797 11.651 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.066 13.554 14.132 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.736 14.648 13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.459 16.315 12.932 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.701 15.241 13.545 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.064 15.567 15.796 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.459 16.125 15.367 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.625 17.862 14.402 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.395 17.095 17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.474 18.718 17.725 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -6.720 19.945 15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.784 20.323 16.751 1.00 0.00 H new ATOM 1593 N THR A 105 -4.556 15.378 10.143 1.00 0.00 N ATOM 1594 CA THR A 105 -3.927 16.336 9.243 1.00 0.00 C ATOM 1595 C THR A 105 -3.470 17.580 9.996 1.00 0.00 C ATOM 1596 O THR A 105 -3.705 17.712 11.198 1.00 0.00 O ATOM 1597 CB THR A 105 -4.884 16.756 8.112 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.183 17.032 8.647 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.986 15.666 7.056 1.00 0.00 C ATOM 0 H THR A 105 -5.519 15.144 9.903 1.00 0.00 H new ATOM 0 HA THR A 105 -3.059 15.839 8.809 1.00 0.00 H new ATOM 0 HB THR A 105 -4.485 17.656 7.644 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.681 17.598 8.021 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.667 15.986 6.268 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.000 15.479 6.630 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.363 14.751 7.513 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.817 18.491 9.283 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.328 19.727 9.884 1.00 0.00 C ATOM 1609 C LEU A 106 -3.276 20.886 9.593 1.00 0.00 C ATOM 1610 O LEU A 106 -4.088 20.821 8.670 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.929 20.053 9.359 1.00 0.00 C ATOM 1612 CG LEU A 106 0.177 19.068 9.739 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.473 19.418 9.023 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.386 19.057 11.247 1.00 0.00 C ATOM 0 H LEU A 106 -2.614 18.397 8.288 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.280 19.584 10.963 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.976 20.114 8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.648 21.042 9.722 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.129 18.070 9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.249 18.706 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.316 19.375 7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.784 20.424 9.304 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.177 18.350 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.670 20.055 11.582 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.539 18.758 11.740 1.00 0.00 H new ATOM 1626 N SER A 107 -3.165 21.947 10.386 1.00 0.00 N ATOM 1627 CA SER A 107 -4.013 23.121 10.215 1.00 0.00 C ATOM 1628 C SER A 107 -3.384 24.108 9.237 1.00 0.00 C ATOM 1629 O SER A 107 -4.084 24.855 8.555 1.00 0.00 O ATOM 1630 CB SER A 107 -4.253 23.804 11.563 1.00 0.00 C ATOM 1631 OG SER A 107 -3.027 24.156 12.181 1.00 0.00 O ATOM 0 H SER A 107 -2.496 22.018 11.153 1.00 0.00 H new ATOM 0 HA SER A 107 -4.969 22.792 9.807 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.861 24.697 11.419 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.816 23.138 12.217 1.00 0.00 H new ATOM 0 HG SER A 107 -3.207 24.592 13.040 1.00 0.00 H new