USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 716 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 96 ASN : amide:sc= -6.91! C(o=-9.2!,f=-13!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -2.25 F(o=-12!,f=-9.2) USER MOD Set 2.1: A 93 MET CE :methyl 135:sc= -0.688 (180deg=-2.58!) USER MOD Set 2.2: A 100 SER OG : rot 74:sc= 1.05 USER MOD Set 3.1: A 52 TYR OH : rot -149:sc= -0.467 USER MOD Set 3.2: A 75 MET CE :methyl 159:sc= -1.51 (180deg=-2.38!) USER MOD Set 4.1: A 53 SER OG : rot -150:sc= 0.0512 USER MOD Set 4.2: A 95 GLN : amide:sc= 0.0541 X(o=0.11,f=0.1) USER MOD Set 5.1: A 46 HIS :FLIP no HE2:sc= 0.22 F(o=-1.7,f=0.79) USER MOD Set 5.2: A 49 ASN :FLIP amide:sc= 0.572 F(o=-1.4,f=0.79) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 167:sc= 1.07 USER MOD Single : A 31 THR OG1 : rot 180:sc=0.000892 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0653 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.686 USER MOD Single : A 43 SER OG : rot 110:sc= -0.783 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 56 TYR OH : rot -31:sc=0.000877 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN :FLIP amide:sc= 0.125 F(o=-2!,f=0.13) USER MOD Single : A 69 THR OG1 : rot 93:sc= 1.08 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.328 F(o=-0.87,f=-0.33) USER MOD Single : A 76 GLN : amide:sc= -4.24! C(o=-4.2!,f=-13!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 81 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 83 MET CE :methyl -169:sc=-0.00602 (180deg=-0.193) USER MOD Single : A 86 THR OG1 : rot -174:sc= 1.08 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.417 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -30:sc= 1.23 USER MOD Single : A 104 SER OG : rot 110:sc= 0.194 USER MOD Single : A 111 THR OG1 : rot -164:sc= 1.93 USER MOD Single : A 112 GLN : amide:sc=-0.00305 K(o=-0.003,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.634 11.554 -5.869 1.00 0.00 N ATOM 183 CA LEU A 17 14.238 11.150 -5.750 1.00 0.00 C ATOM 184 C LEU A 17 13.846 10.967 -4.287 1.00 0.00 C ATOM 185 O LEU A 17 14.681 10.693 -3.425 1.00 0.00 O ATOM 186 CB LEU A 17 13.995 9.851 -6.521 1.00 0.00 C ATOM 187 CG LEU A 17 13.846 9.989 -8.037 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.090 8.652 -8.720 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.467 10.526 -8.390 1.00 0.00 C ATOM 0 HA LEU A 17 13.620 11.940 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.822 9.171 -6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.093 9.382 -6.128 1.00 0.00 H new ATOM 0 HG LEU A 17 14.593 10.698 -8.394 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.980 8.769 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.099 8.306 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.366 7.921 -8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.378 10.618 -9.473 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.704 9.841 -8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.329 11.505 -7.930 1.00 0.00 H new ATOM 201 N PRO A 18 12.545 11.119 -4.000 1.00 0.00 N ATOM 202 CA PRO A 18 12.012 10.972 -2.642 1.00 0.00 C ATOM 203 C PRO A 18 12.051 9.527 -2.157 1.00 0.00 C ATOM 204 O PRO A 18 12.719 8.681 -2.751 1.00 0.00 O ATOM 205 CB PRO A 18 10.565 11.453 -2.775 1.00 0.00 C ATOM 206 CG PRO A 18 10.221 11.227 -4.207 1.00 0.00 C ATOM 207 CD PRO A 18 11.493 11.445 -4.978 1.00 0.00 C ATOM 0 HA PRO A 18 12.596 11.532 -1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.900 10.895 -2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.471 12.505 -2.507 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.839 10.218 -4.362 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.443 11.916 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.546 10.801 -5.855 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.578 12.473 -5.332 1.00 0.00 H new ATOM 215 N SER A 19 11.331 9.251 -1.074 1.00 0.00 N ATOM 216 CA SER A 19 11.286 7.908 -0.507 1.00 0.00 C ATOM 217 C SER A 19 9.848 7.489 -0.218 1.00 0.00 C ATOM 218 O SER A 19 9.000 8.320 0.106 1.00 0.00 O ATOM 219 CB SER A 19 12.116 7.846 0.776 1.00 0.00 C ATOM 220 OG SER A 19 12.499 6.514 1.071 1.00 0.00 O ATOM 0 H SER A 19 10.771 9.940 -0.572 1.00 0.00 H new ATOM 0 HA SER A 19 11.707 7.217 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.005 8.468 0.669 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.540 8.254 1.606 1.00 0.00 H new ATOM 0 HG SER A 19 13.030 6.501 1.895 1.00 0.00 H new ATOM 226 N ALA A 20 9.581 6.192 -0.338 1.00 0.00 N ATOM 227 CA ALA A 20 8.248 5.660 -0.087 1.00 0.00 C ATOM 228 C ALA A 20 7.769 6.017 1.316 1.00 0.00 C ATOM 229 O ALA A 20 8.562 6.267 2.224 1.00 0.00 O ATOM 230 CB ALA A 20 8.236 4.151 -0.283 1.00 0.00 C ATOM 0 H ALA A 20 10.271 5.491 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 20 7.562 6.114 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.234 3.767 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.526 3.915 -1.307 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.940 3.689 0.409 1.00 0.00 H new ATOM 236 N PRO A 21 6.440 6.043 1.500 1.00 0.00 N ATOM 237 CA PRO A 21 5.826 6.369 2.790 1.00 0.00 C ATOM 238 C PRO A 21 6.047 5.276 3.830 1.00 0.00 C ATOM 239 O PRO A 21 6.498 4.178 3.503 1.00 0.00 O ATOM 240 CB PRO A 21 4.338 6.494 2.453 1.00 0.00 C ATOM 241 CG PRO A 21 4.153 5.651 1.239 1.00 0.00 C ATOM 242 CD PRO A 21 5.436 5.756 0.462 1.00 0.00 C ATOM 0 HA PRO A 21 6.255 7.270 3.229 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.715 6.145 3.276 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.061 7.531 2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.945 4.616 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.308 6.001 0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.661 4.831 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.391 6.550 -0.284 1.00 0.00 H new ATOM 250 N ARG A 22 5.727 5.583 5.082 1.00 0.00 N ATOM 251 CA ARG A 22 5.891 4.627 6.170 1.00 0.00 C ATOM 252 C ARG A 22 4.552 4.323 6.835 1.00 0.00 C ATOM 253 O ARG A 22 3.549 4.986 6.565 1.00 0.00 O ATOM 254 CB ARG A 22 6.877 5.166 7.208 1.00 0.00 C ATOM 255 CG ARG A 22 8.075 5.875 6.599 1.00 0.00 C ATOM 256 CD ARG A 22 9.161 4.889 6.197 1.00 0.00 C ATOM 257 NE ARG A 22 8.716 3.986 5.139 1.00 0.00 N ATOM 258 CZ ARG A 22 9.418 2.937 4.725 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.591 2.661 5.277 1.00 0.00 N ATOM 260 NH2 ARG A 22 8.945 2.162 3.757 1.00 0.00 N ATOM 0 H ARG A 22 5.352 6.487 5.369 1.00 0.00 H new ATOM 0 HA ARG A 22 6.286 3.702 5.749 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.354 5.857 7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.230 4.340 7.825 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.757 6.444 5.725 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.479 6.590 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.041 5.437 5.860 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.462 4.307 7.068 1.00 0.00 H new ATOM 0 HE ARG A 22 7.817 4.171 4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.957 3.255 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.128 1.855 4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.042 2.372 3.331 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.484 1.357 3.439 1.00 0.00 H new ATOM 274 N ASP A 23 4.542 3.318 7.703 1.00 0.00 N ATOM 275 CA ASP A 23 3.326 2.927 8.407 1.00 0.00 C ATOM 276 C ASP A 23 2.206 2.609 7.421 1.00 0.00 C ATOM 277 O ASP A 23 1.083 3.092 7.565 1.00 0.00 O ATOM 278 CB ASP A 23 2.883 4.038 9.360 1.00 0.00 C ATOM 279 CG ASP A 23 3.517 3.911 10.732 1.00 0.00 C ATOM 280 OD1 ASP A 23 3.324 2.861 11.380 1.00 0.00 O ATOM 281 OD2 ASP A 23 4.206 4.862 11.157 1.00 0.00 O ATOM 0 H ASP A 23 5.362 2.759 7.936 1.00 0.00 H new ATOM 0 HA ASP A 23 3.543 2.029 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.143 5.006 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.798 4.015 9.461 1.00 0.00 H new ATOM 286 N VAL A 24 2.520 1.794 6.419 1.00 0.00 N ATOM 287 CA VAL A 24 1.541 1.411 5.409 1.00 0.00 C ATOM 288 C VAL A 24 0.577 0.360 5.949 1.00 0.00 C ATOM 289 O VAL A 24 0.971 -0.771 6.234 1.00 0.00 O ATOM 290 CB VAL A 24 2.225 0.862 4.143 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.192 0.301 3.178 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.058 1.946 3.475 1.00 0.00 C ATOM 0 H VAL A 24 3.445 1.386 6.285 1.00 0.00 H new ATOM 0 HA VAL A 24 0.985 2.312 5.150 1.00 0.00 H new ATOM 0 HB VAL A 24 2.892 0.051 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.694 -0.082 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.643 -0.507 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.497 1.090 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.534 1.541 2.582 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.414 2.780 3.196 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.824 2.295 4.168 1.00 0.00 H new ATOM 302 N VAL A 25 -0.689 0.742 6.087 1.00 0.00 N ATOM 303 CA VAL A 25 -1.711 -0.168 6.591 1.00 0.00 C ATOM 304 C VAL A 25 -3.055 0.089 5.919 1.00 0.00 C ATOM 305 O VAL A 25 -3.210 1.049 5.165 1.00 0.00 O ATOM 306 CB VAL A 25 -1.877 -0.035 8.116 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.529 -0.136 8.812 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.569 1.275 8.464 1.00 0.00 C ATOM 0 H VAL A 25 -1.031 1.675 5.857 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.379 -1.179 6.356 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.502 -0.855 8.468 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.667 -0.040 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.076 -1.102 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.124 0.661 8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.678 1.353 9.546 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.972 2.110 8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.554 1.302 7.997 1.00 0.00 H new ATOM 318 N ALA A 26 -4.025 -0.775 6.200 1.00 0.00 N ATOM 319 CA ALA A 26 -5.358 -0.640 5.625 1.00 0.00 C ATOM 320 C ALA A 26 -6.363 -0.175 6.673 1.00 0.00 C ATOM 321 O ALA A 26 -6.791 -0.954 7.524 1.00 0.00 O ATOM 322 CB ALA A 26 -5.804 -1.959 5.011 1.00 0.00 C ATOM 0 H ALA A 26 -3.913 -1.576 6.822 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.314 0.116 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.801 -1.844 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.106 -2.249 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.825 -2.730 5.781 1.00 0.00 H new ATOM 328 N SER A 27 -6.736 1.099 6.605 1.00 0.00 N ATOM 329 CA SER A 27 -7.688 1.669 7.551 1.00 0.00 C ATOM 330 C SER A 27 -8.989 0.871 7.559 1.00 0.00 C ATOM 331 O SER A 27 -9.686 0.808 8.573 1.00 0.00 O ATOM 332 CB SER A 27 -7.975 3.130 7.201 1.00 0.00 C ATOM 333 OG SER A 27 -9.186 3.568 7.792 1.00 0.00 O ATOM 0 H SER A 27 -6.393 1.756 5.904 1.00 0.00 H new ATOM 0 HA SER A 27 -7.246 1.622 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.152 3.758 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.033 3.243 6.118 1.00 0.00 H new ATOM 0 HG SER A 27 -9.346 4.505 7.554 1.00 0.00 H new ATOM 339 N LEU A 28 -9.310 0.264 6.422 1.00 0.00 N ATOM 340 CA LEU A 28 -10.527 -0.531 6.297 1.00 0.00 C ATOM 341 C LEU A 28 -10.415 -1.520 5.141 1.00 0.00 C ATOM 342 O LEU A 28 -9.710 -1.270 4.163 1.00 0.00 O ATOM 343 CB LEU A 28 -11.736 0.383 6.086 1.00 0.00 C ATOM 344 CG LEU A 28 -12.974 -0.273 5.474 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.232 0.482 5.875 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.849 -0.338 3.959 1.00 0.00 C ATOM 0 H LEU A 28 -8.745 0.307 5.574 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.661 -1.094 7.221 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.015 0.811 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.433 1.211 5.444 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.049 -1.291 5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.103 0.000 5.430 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.329 0.476 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.167 1.511 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.739 -0.808 3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.749 0.671 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.970 -0.924 3.691 1.00 0.00 H new ATOM 358 N VAL A 29 -11.117 -2.642 5.259 1.00 0.00 N ATOM 359 CA VAL A 29 -11.099 -3.668 4.223 1.00 0.00 C ATOM 360 C VAL A 29 -12.512 -4.009 3.764 1.00 0.00 C ATOM 361 O VAL A 29 -13.220 -4.775 4.417 1.00 0.00 O ATOM 362 CB VAL A 29 -10.407 -4.952 4.716 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.720 -6.117 3.790 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.905 -4.738 4.828 1.00 0.00 C ATOM 0 H VAL A 29 -11.706 -2.864 6.062 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.535 -3.261 3.384 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.792 -5.194 5.707 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.222 -7.016 4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.797 -6.283 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.365 -5.888 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.432 -5.656 5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.502 -4.471 3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.704 -3.934 5.536 1.00 0.00 H new ATOM 374 N SER A 30 -12.916 -3.436 2.634 1.00 0.00 N ATOM 375 CA SER A 30 -14.246 -3.677 2.088 1.00 0.00 C ATOM 376 C SER A 30 -14.259 -4.934 1.223 1.00 0.00 C ATOM 377 O SER A 30 -13.209 -5.437 0.821 1.00 0.00 O ATOM 378 CB SER A 30 -14.709 -2.473 1.265 1.00 0.00 C ATOM 379 OG SER A 30 -15.635 -2.864 0.266 1.00 0.00 O ATOM 0 H SER A 30 -12.341 -2.802 2.079 1.00 0.00 H new ATOM 0 HA SER A 30 -14.933 -3.824 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.168 -1.734 1.922 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.848 -1.994 0.799 1.00 0.00 H new ATOM 0 HG SER A 30 -16.076 -2.069 -0.100 1.00 0.00 H new ATOM 385 N THR A 31 -15.456 -5.438 0.940 1.00 0.00 N ATOM 386 CA THR A 31 -15.607 -6.636 0.124 1.00 0.00 C ATOM 387 C THR A 31 -15.370 -6.331 -1.351 1.00 0.00 C ATOM 388 O THR A 31 -15.026 -7.219 -2.131 1.00 0.00 O ATOM 389 CB THR A 31 -17.008 -7.255 0.289 1.00 0.00 C ATOM 390 OG1 THR A 31 -18.013 -6.256 0.079 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.171 -7.862 1.675 1.00 0.00 C ATOM 0 H THR A 31 -16.335 -5.035 1.264 1.00 0.00 H new ATOM 0 HA THR A 31 -14.859 -7.349 0.469 1.00 0.00 H new ATOM 0 HB THR A 31 -17.122 -8.046 -0.453 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.901 -6.658 0.184 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.168 -8.293 1.769 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.423 -8.642 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.039 -7.087 2.430 1.00 0.00 H new ATOM 399 N ARG A 32 -15.555 -5.069 -1.726 1.00 0.00 N ATOM 400 CA ARG A 32 -15.361 -4.648 -3.108 1.00 0.00 C ATOM 401 C ARG A 32 -14.228 -3.631 -3.213 1.00 0.00 C ATOM 402 O ARG A 32 -13.879 -3.184 -4.306 1.00 0.00 O ATOM 403 CB ARG A 32 -16.653 -4.047 -3.667 1.00 0.00 C ATOM 404 CG ARG A 32 -17.837 -4.998 -3.618 1.00 0.00 C ATOM 405 CD ARG A 32 -19.093 -4.354 -4.185 1.00 0.00 C ATOM 406 NE ARG A 32 -19.747 -3.481 -3.214 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.851 -2.790 -3.475 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.421 -2.869 -4.669 1.00 0.00 N ATOM 409 NH2 ARG A 32 -21.387 -2.017 -2.539 1.00 0.00 N ATOM 0 H ARG A 32 -15.839 -4.321 -1.093 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.093 -5.527 -3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.898 -3.146 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.485 -3.742 -4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.603 -5.901 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.017 -5.304 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.835 -3.778 -5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.789 -5.132 -4.499 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.334 -3.397 -2.285 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.012 -3.462 -5.391 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.269 -2.337 -4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.951 -1.953 -1.619 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.235 -1.486 -2.740 1.00 0.00 H new ATOM 423 N PHE A 33 -13.658 -3.268 -2.068 1.00 0.00 N ATOM 424 CA PHE A 33 -12.566 -2.303 -2.030 1.00 0.00 C ATOM 425 C PHE A 33 -11.786 -2.415 -0.723 1.00 0.00 C ATOM 426 O PHE A 33 -12.104 -3.242 0.132 1.00 0.00 O ATOM 427 CB PHE A 33 -13.107 -0.881 -2.194 1.00 0.00 C ATOM 428 CG PHE A 33 -13.617 -0.283 -0.914 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.755 0.369 -0.047 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.958 -0.373 -0.578 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.221 0.922 1.131 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.430 0.178 0.599 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.560 0.825 1.455 1.00 0.00 C ATOM 0 H PHE A 33 -13.935 -3.628 -1.155 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.890 -2.525 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.318 -0.244 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.913 -0.890 -2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.707 0.446 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.642 -0.879 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.539 1.429 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.478 0.103 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.926 1.254 2.376 1.00 0.00 H new ATOM 443 N ILE A 34 -10.765 -1.578 -0.577 1.00 0.00 N ATOM 444 CA ILE A 34 -9.940 -1.582 0.625 1.00 0.00 C ATOM 445 C ILE A 34 -9.369 -0.196 0.904 1.00 0.00 C ATOM 446 O ILE A 34 -8.727 0.408 0.045 1.00 0.00 O ATOM 447 CB ILE A 34 -8.781 -2.589 0.508 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.320 -3.988 0.202 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.959 -2.602 1.789 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.240 -4.992 -0.134 1.00 0.00 C ATOM 0 H ILE A 34 -10.489 -0.888 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.586 -1.879 1.451 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.134 -2.281 -0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.884 -4.348 1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.018 -3.925 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.144 -3.319 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.549 -1.608 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.595 -2.889 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.695 -5.961 -0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.691 -4.655 -1.013 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.554 -5.084 0.708 1.00 0.00 H new ATOM 462 N LYS A 35 -9.604 0.302 2.113 1.00 0.00 N ATOM 463 CA LYS A 35 -9.111 1.615 2.509 1.00 0.00 C ATOM 464 C LYS A 35 -7.669 1.530 2.999 1.00 0.00 C ATOM 465 O LYS A 35 -7.367 0.810 3.952 1.00 0.00 O ATOM 466 CB LYS A 35 -9.999 2.207 3.607 1.00 0.00 C ATOM 467 CG LYS A 35 -9.880 3.715 3.738 1.00 0.00 C ATOM 468 CD LYS A 35 -10.833 4.434 2.799 1.00 0.00 C ATOM 469 CE LYS A 35 -10.721 5.945 2.940 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.982 6.633 2.546 1.00 0.00 N ATOM 0 H LYS A 35 -10.134 -0.185 2.836 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.142 2.265 1.635 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.038 1.949 3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.740 1.746 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.090 4.009 4.766 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.856 4.020 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.617 4.147 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.856 4.123 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.477 6.197 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.900 6.308 2.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.866 7.661 2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.202 6.414 1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.760 6.306 3.153 1.00 0.00 H new ATOM 484 N LEU A 36 -6.781 2.270 2.343 1.00 0.00 N ATOM 485 CA LEU A 36 -5.370 2.279 2.713 1.00 0.00 C ATOM 486 C LEU A 36 -5.018 3.547 3.484 1.00 0.00 C ATOM 487 O LEU A 36 -5.694 4.569 3.363 1.00 0.00 O ATOM 488 CB LEU A 36 -4.495 2.168 1.463 1.00 0.00 C ATOM 489 CG LEU A 36 -4.147 0.750 1.011 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.443 -0.009 2.126 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.400 0.009 0.568 1.00 0.00 C ATOM 0 H LEU A 36 -7.013 2.871 1.552 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.182 1.420 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.003 2.675 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.566 2.708 1.645 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.468 0.817 0.161 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.203 -1.016 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.524 0.511 2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.097 -0.066 2.996 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.133 -0.999 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.103 -0.047 1.399 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.863 0.541 -0.263 1.00 0.00 H new ATOM 503 N THR A 37 -3.952 3.475 4.276 1.00 0.00 N ATOM 504 CA THR A 37 -3.508 4.616 5.066 1.00 0.00 C ATOM 505 C THR A 37 -2.028 4.504 5.411 1.00 0.00 C ATOM 506 O THR A 37 -1.554 3.441 5.813 1.00 0.00 O ATOM 507 CB THR A 37 -4.319 4.747 6.369 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.200 3.548 7.143 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.786 5.019 6.069 1.00 0.00 C ATOM 0 H THR A 37 -3.380 2.638 4.387 1.00 0.00 H new ATOM 0 HA THR A 37 -3.669 5.504 4.455 1.00 0.00 H new ATOM 0 HB THR A 37 -3.919 5.587 6.937 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.717 3.640 7.970 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.338 5.108 7.005 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.876 5.947 5.505 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.196 4.197 5.482 1.00 0.00 H new ATOM 517 N TRP A 38 -1.303 5.605 5.253 1.00 0.00 N ATOM 518 CA TRP A 38 0.125 5.630 5.549 1.00 0.00 C ATOM 519 C TRP A 38 0.566 7.022 5.988 1.00 0.00 C ATOM 520 O TRP A 38 -0.176 7.993 5.841 1.00 0.00 O ATOM 521 CB TRP A 38 0.928 5.189 4.325 1.00 0.00 C ATOM 522 CG TRP A 38 0.684 6.041 3.116 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.253 7.252 2.839 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.193 5.748 2.023 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.781 7.729 1.639 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.106 6.824 1.119 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.042 4.680 1.720 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.837 6.862 -0.065 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.767 4.719 0.544 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.661 5.803 -0.337 1.00 0.00 C ATOM 0 H TRP A 38 -1.680 6.493 4.921 1.00 0.00 H new ATOM 0 HA TRP A 38 0.313 4.935 6.368 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.990 5.212 4.569 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.678 4.155 4.088 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.968 7.760 3.470 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.048 8.613 1.206 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.130 3.840 2.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.757 7.697 -0.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.427 3.899 0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.240 5.803 -1.248 1.00 0.00 H new ATOM 541 N ARG A 39 1.777 7.111 6.528 1.00 0.00 N ATOM 542 CA ARG A 39 2.316 8.385 6.989 1.00 0.00 C ATOM 543 C ARG A 39 3.284 8.969 5.964 1.00 0.00 C ATOM 544 O ARG A 39 3.519 8.379 4.908 1.00 0.00 O ATOM 545 CB ARG A 39 3.026 8.206 8.332 1.00 0.00 C ATOM 546 CG ARG A 39 2.075 8.055 9.508 1.00 0.00 C ATOM 547 CD ARG A 39 0.813 7.305 9.112 1.00 0.00 C ATOM 548 NE ARG A 39 -0.051 7.044 10.260 1.00 0.00 N ATOM 549 CZ ARG A 39 -1.011 6.125 10.262 1.00 0.00 C ATOM 550 NH1 ARG A 39 -1.228 5.385 9.184 1.00 0.00 N ATOM 551 NH2 ARG A 39 -1.756 5.946 11.346 1.00 0.00 N ATOM 0 H ARG A 39 2.403 6.316 6.657 1.00 0.00 H new ATOM 0 HA ARG A 39 1.485 9.079 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.668 7.327 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.674 9.064 8.508 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.577 7.524 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.809 9.040 9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.264 7.885 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.085 6.361 8.641 1.00 0.00 H new ATOM 0 HE ARG A 39 0.090 7.597 11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.657 5.520 8.349 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.966 4.681 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.592 6.514 12.177 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.493 5.241 11.348 1.00 0.00 H new ATOM 565 N THR A 40 3.842 10.133 6.281 1.00 0.00 N ATOM 566 CA THR A 40 4.783 10.798 5.388 1.00 0.00 C ATOM 567 C THR A 40 6.124 10.074 5.363 1.00 0.00 C ATOM 568 O THR A 40 6.595 9.554 6.375 1.00 0.00 O ATOM 569 CB THR A 40 5.011 12.264 5.803 1.00 0.00 C ATOM 570 OG1 THR A 40 5.396 12.328 7.181 1.00 0.00 O ATOM 571 CG2 THR A 40 3.753 13.091 5.583 1.00 0.00 C ATOM 0 H THR A 40 3.659 10.635 7.150 1.00 0.00 H new ATOM 0 HA THR A 40 4.343 10.774 4.391 1.00 0.00 H new ATOM 0 HB THR A 40 5.809 12.674 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.572 13.260 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.938 14.122 5.883 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.479 13.064 4.528 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.939 12.680 6.180 1.00 0.00 H new ATOM 579 N PRO A 41 6.756 10.038 4.181 1.00 0.00 N ATOM 580 CA PRO A 41 8.053 9.380 3.997 1.00 0.00 C ATOM 581 C PRO A 41 9.186 10.129 4.690 1.00 0.00 C ATOM 582 O PRO A 41 9.062 11.314 4.998 1.00 0.00 O ATOM 583 CB PRO A 41 8.249 9.401 2.479 1.00 0.00 C ATOM 584 CG PRO A 41 7.436 10.557 2.008 1.00 0.00 C ATOM 585 CD PRO A 41 6.253 10.636 2.933 1.00 0.00 C ATOM 0 HA PRO A 41 8.067 8.379 4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.300 9.523 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.913 8.469 2.024 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.016 11.479 2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.116 10.414 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.928 11.666 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.398 10.086 2.540 1.00 0.00 H new ATOM 593 N ALA A 42 10.290 9.430 4.933 1.00 0.00 N ATOM 594 CA ALA A 42 11.446 10.030 5.588 1.00 0.00 C ATOM 595 C ALA A 42 12.027 11.162 4.747 1.00 0.00 C ATOM 596 O ALA A 42 12.500 12.165 5.281 1.00 0.00 O ATOM 597 CB ALA A 42 12.506 8.973 5.860 1.00 0.00 C ATOM 0 H ALA A 42 10.408 8.447 4.686 1.00 0.00 H new ATOM 0 HA ALA A 42 11.117 10.451 6.538 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.363 9.435 6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.092 8.200 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.823 8.525 4.918 1.00 0.00 H new ATOM 603 N SER A 43 11.990 10.993 3.429 1.00 0.00 N ATOM 604 CA SER A 43 12.517 11.999 2.514 1.00 0.00 C ATOM 605 C SER A 43 11.635 13.244 2.509 1.00 0.00 C ATOM 606 O SER A 43 12.124 14.363 2.350 1.00 0.00 O ATOM 607 CB SER A 43 12.621 11.427 1.099 1.00 0.00 C ATOM 608 OG SER A 43 12.838 12.455 0.148 1.00 0.00 O ATOM 0 H SER A 43 11.601 10.169 2.971 1.00 0.00 H new ATOM 0 HA SER A 43 13.512 12.282 2.858 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.438 10.707 1.054 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.706 10.887 0.853 1.00 0.00 H new ATOM 0 HG SER A 43 13.751 12.389 -0.203 1.00 0.00 H new ATOM 614 N ASP A 44 10.334 13.040 2.683 1.00 0.00 N ATOM 615 CA ASP A 44 9.383 14.145 2.700 1.00 0.00 C ATOM 616 C ASP A 44 8.452 14.044 3.904 1.00 0.00 C ATOM 617 O ASP A 44 7.561 13.196 3.961 1.00 0.00 O ATOM 618 CB ASP A 44 8.565 14.161 1.407 1.00 0.00 C ATOM 619 CG ASP A 44 9.245 14.944 0.301 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.168 14.392 -0.335 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.854 16.107 0.071 1.00 0.00 O ATOM 0 H ASP A 44 9.914 12.120 2.814 1.00 0.00 H new ATOM 0 HA ASP A 44 9.946 15.075 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.398 13.137 1.073 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.585 14.595 1.606 1.00 0.00 H new ATOM 626 N PRO A 45 8.663 14.927 4.891 1.00 0.00 N ATOM 627 CA PRO A 45 7.854 14.956 6.113 1.00 0.00 C ATOM 628 C PRO A 45 6.430 15.437 5.854 1.00 0.00 C ATOM 629 O PRO A 45 5.469 14.876 6.381 1.00 0.00 O ATOM 630 CB PRO A 45 8.599 15.949 7.009 1.00 0.00 C ATOM 631 CG PRO A 45 9.338 16.831 6.063 1.00 0.00 C ATOM 632 CD PRO A 45 9.708 15.965 4.891 1.00 0.00 C ATOM 0 HA PRO A 45 7.744 13.964 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.907 16.522 7.626 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.281 15.436 7.687 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.718 17.670 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.227 17.250 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.713 16.530 3.959 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.702 15.534 5.008 1.00 0.00 H new ATOM 640 N HIS A 46 6.302 16.480 5.039 1.00 0.00 N ATOM 641 CA HIS A 46 4.995 17.036 4.709 1.00 0.00 C ATOM 642 C HIS A 46 4.359 16.278 3.547 1.00 0.00 C ATOM 643 O HIS A 46 3.137 16.241 3.411 1.00 0.00 O ATOM 644 CB HIS A 46 5.121 18.519 4.358 1.00 0.00 C ATOM 645 CG HIS A 46 6.406 18.863 3.669 1.00 0.00 C ATOM 646 ND1 HIS A 46 7.461 19.603 4.082 1.00 0.00 N flip ATOM 647 CD2 HIS A 46 6.716 18.432 2.396 1.00 0.00 C flip ATOM 648 CE1 HIS A 46 8.381 19.605 3.062 1.00 0.00 C flip ATOM 649 NE2 HIS A 46 7.908 18.891 2.057 1.00 0.00 N flip ATOM 0 H HIS A 46 7.087 16.956 4.596 1.00 0.00 H new ATOM 0 HA HIS A 46 4.352 16.931 5.583 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.287 18.805 3.717 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.038 19.109 5.271 1.00 0.00 H new ATOM 0 HD1 HIS A 46 7.555 20.072 4.983 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.084 17.816 1.774 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.336 20.109 3.079 1.00 0.00 H new ATOM 658 N GLY A 47 5.199 15.675 2.711 1.00 0.00 N ATOM 659 CA GLY A 47 4.700 14.928 1.571 1.00 0.00 C ATOM 660 C GLY A 47 3.445 15.538 0.981 1.00 0.00 C ATOM 661 O GLY A 47 2.579 14.825 0.474 1.00 0.00 O ATOM 0 H GLY A 47 6.215 15.690 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.473 14.883 0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.493 13.902 1.876 1.00 0.00 H new ATOM 665 N ASP A 48 3.343 16.861 1.049 1.00 0.00 N ATOM 666 CA ASP A 48 2.184 17.567 0.518 1.00 0.00 C ATOM 667 C ASP A 48 2.465 18.096 -0.884 1.00 0.00 C ATOM 668 O ASP A 48 1.557 18.548 -1.582 1.00 0.00 O ATOM 669 CB ASP A 48 1.795 18.721 1.444 1.00 0.00 C ATOM 670 CG ASP A 48 0.459 19.335 1.075 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.424 18.591 0.597 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.295 20.558 1.264 1.00 0.00 O ATOM 0 H ASP A 48 4.050 17.466 1.467 1.00 0.00 H new ATOM 0 HA ASP A 48 1.355 16.862 0.461 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.754 18.360 2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.567 19.489 1.406 1.00 0.00 H new ATOM 677 N ASN A 49 3.729 18.038 -1.291 1.00 0.00 N ATOM 678 CA ASN A 49 4.130 18.513 -2.610 1.00 0.00 C ATOM 679 C ASN A 49 4.421 17.343 -3.545 1.00 0.00 C ATOM 680 O ASN A 49 5.004 17.519 -4.615 1.00 0.00 O ATOM 681 CB ASN A 49 5.365 19.410 -2.498 1.00 0.00 C ATOM 682 CG ASN A 49 6.317 18.949 -1.412 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.747 17.695 -1.493 1.00 0.00 O flip ATOM 684 ND2 ASN A 49 6.663 19.713 -0.509 1.00 0.00 N flip ATOM 0 H ASN A 49 4.493 17.667 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 49 3.305 19.091 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.888 19.424 -3.454 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.050 20.433 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.308 20.669 -0.486 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.305 19.389 0.215 1.00 0.00 H new ATOM 691 N LEU A 50 4.009 16.149 -3.133 1.00 0.00 N ATOM 692 CA LEU A 50 4.224 14.948 -3.934 1.00 0.00 C ATOM 693 C LEU A 50 3.039 13.995 -3.814 1.00 0.00 C ATOM 694 O LEU A 50 2.549 13.730 -2.716 1.00 0.00 O ATOM 695 CB LEU A 50 5.507 14.241 -3.494 1.00 0.00 C ATOM 696 CG LEU A 50 5.865 14.359 -2.012 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.141 13.294 -1.203 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.370 14.249 -1.816 1.00 0.00 C ATOM 0 H LEU A 50 3.525 15.986 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 50 4.321 15.249 -4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.419 13.183 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.336 14.638 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 50 5.544 15.338 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.407 13.393 -0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.064 13.419 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.432 12.306 -1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.606 14.335 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.716 13.284 -2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.868 15.049 -2.365 1.00 0.00 H new ATOM 710 N THR A 51 2.583 13.480 -4.952 1.00 0.00 N ATOM 711 CA THR A 51 1.457 12.555 -4.976 1.00 0.00 C ATOM 712 C THR A 51 1.874 11.169 -4.499 1.00 0.00 C ATOM 713 O THR A 51 3.058 10.902 -4.295 1.00 0.00 O ATOM 714 CB THR A 51 0.854 12.440 -6.389 1.00 0.00 C ATOM 715 OG1 THR A 51 1.032 13.670 -7.099 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.627 12.099 -6.319 1.00 0.00 C ATOM 0 H THR A 51 2.977 13.688 -5.870 1.00 0.00 H new ATOM 0 HA THR A 51 0.703 12.957 -4.299 1.00 0.00 H new ATOM 0 HB THR A 51 1.371 11.638 -6.917 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.648 13.588 -7.997 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.031 12.023 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.757 11.148 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.155 12.882 -5.775 1.00 0.00 H new ATOM 724 N TYR A 52 0.893 10.290 -4.323 1.00 0.00 N ATOM 725 CA TYR A 52 1.159 8.930 -3.867 1.00 0.00 C ATOM 726 C TYR A 52 0.424 7.912 -4.734 1.00 0.00 C ATOM 727 O TYR A 52 -0.791 7.993 -4.911 1.00 0.00 O ATOM 728 CB TYR A 52 0.740 8.768 -2.405 1.00 0.00 C ATOM 729 CG TYR A 52 1.596 9.555 -1.439 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.917 9.196 -1.200 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.084 10.657 -0.765 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.703 9.912 -0.317 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.863 11.380 0.118 1.00 0.00 C ATOM 734 CZ TYR A 52 3.172 11.003 0.338 1.00 0.00 C ATOM 735 OH TYR A 52 3.951 11.719 1.218 1.00 0.00 O ATOM 0 H TYR A 52 -0.092 10.494 -4.489 1.00 0.00 H new ATOM 0 HA TYR A 52 2.230 8.748 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.298 9.082 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.783 7.712 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.337 8.343 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.059 10.954 -0.934 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.727 9.619 -0.141 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.450 12.235 0.633 1.00 0.00 H new ATOM 0 HH TYR A 52 3.386 12.092 1.926 1.00 0.00 H new ATOM 745 N SER A 53 1.172 6.954 -5.273 1.00 0.00 N ATOM 746 CA SER A 53 0.594 5.921 -6.125 1.00 0.00 C ATOM 747 C SER A 53 0.421 4.616 -5.354 1.00 0.00 C ATOM 748 O SER A 53 1.196 4.309 -4.448 1.00 0.00 O ATOM 749 CB SER A 53 1.477 5.689 -7.352 1.00 0.00 C ATOM 750 OG SER A 53 1.305 6.721 -8.308 1.00 0.00 O ATOM 0 H SER A 53 2.179 6.872 -5.135 1.00 0.00 H new ATOM 0 HA SER A 53 -0.388 6.262 -6.453 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.523 5.642 -7.048 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.233 4.727 -7.803 1.00 0.00 H new ATOM 0 HG SER A 53 1.460 6.363 -9.207 1.00 0.00 H new ATOM 756 N VAL A 54 -0.603 3.851 -5.721 1.00 0.00 N ATOM 757 CA VAL A 54 -0.879 2.578 -5.066 1.00 0.00 C ATOM 758 C VAL A 54 -1.024 1.455 -6.087 1.00 0.00 C ATOM 759 O VAL A 54 -1.971 1.434 -6.873 1.00 0.00 O ATOM 760 CB VAL A 54 -2.160 2.651 -4.214 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.544 1.269 -3.707 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.974 3.620 -3.056 1.00 0.00 C ATOM 0 H VAL A 54 -1.255 4.091 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.031 2.366 -4.415 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.972 3.020 -4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.451 1.341 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.721 0.607 -4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.736 0.868 -3.096 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.889 3.660 -2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.150 3.282 -2.428 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.750 4.613 -3.445 1.00 0.00 H new ATOM 772 N PHE A 55 -0.078 0.521 -6.069 1.00 0.00 N ATOM 773 CA PHE A 55 -0.100 -0.606 -6.993 1.00 0.00 C ATOM 774 C PHE A 55 -0.637 -1.860 -6.310 1.00 0.00 C ATOM 775 O PHE A 55 -0.043 -2.363 -5.356 1.00 0.00 O ATOM 776 CB PHE A 55 1.304 -0.872 -7.540 1.00 0.00 C ATOM 777 CG PHE A 55 1.967 0.350 -8.109 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.621 1.248 -7.282 1.00 0.00 C ATOM 779 CD2 PHE A 55 1.934 0.601 -9.472 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.232 2.373 -7.803 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.544 1.724 -9.998 1.00 0.00 C ATOM 782 CZ PHE A 55 3.193 2.612 -9.162 1.00 0.00 C ATOM 0 H PHE A 55 0.713 0.523 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.763 -0.352 -7.820 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.926 -1.274 -6.741 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.245 -1.637 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.654 1.067 -6.218 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.426 -0.089 -10.130 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.740 3.065 -7.147 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.513 1.907 -11.062 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.669 3.491 -9.571 1.00 0.00 H new ATOM 792 N TYR A 56 -1.765 -2.359 -6.804 1.00 0.00 N ATOM 793 CA TYR A 56 -2.385 -3.552 -6.240 1.00 0.00 C ATOM 794 C TYR A 56 -2.390 -4.694 -7.252 1.00 0.00 C ATOM 795 O TYR A 56 -2.418 -4.468 -8.462 1.00 0.00 O ATOM 796 CB TYR A 56 -3.815 -3.246 -5.792 1.00 0.00 C ATOM 797 CG TYR A 56 -4.666 -2.619 -6.873 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.723 -1.239 -7.026 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.415 -3.405 -7.740 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.499 -0.661 -8.012 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.193 -2.836 -8.729 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.233 -1.463 -8.861 1.00 0.00 C ATOM 803 OH TYR A 56 -7.008 -0.892 -9.844 1.00 0.00 O ATOM 0 H TYR A 56 -2.269 -1.956 -7.594 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.799 -3.861 -5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.288 -4.170 -5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.782 -2.576 -4.933 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -4.151 -0.607 -6.363 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.388 -4.480 -7.639 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.531 0.413 -8.118 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.767 -3.462 -9.396 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.332 -0.019 -9.539 1.00 0.00 H new ATOM 813 N THR A 57 -2.363 -5.924 -6.747 1.00 0.00 N ATOM 814 CA THR A 57 -2.364 -7.102 -7.604 1.00 0.00 C ATOM 815 C THR A 57 -2.570 -8.374 -6.790 1.00 0.00 C ATOM 816 O THR A 57 -2.066 -8.498 -5.674 1.00 0.00 O ATOM 817 CB THR A 57 -1.048 -7.221 -8.397 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.919 -8.542 -8.936 1.00 0.00 O ATOM 819 CG2 THR A 57 0.148 -6.910 -7.510 1.00 0.00 C ATOM 0 H THR A 57 -2.340 -6.129 -5.748 1.00 0.00 H new ATOM 0 HA THR A 57 -3.192 -6.983 -8.303 1.00 0.00 H new ATOM 0 HB THR A 57 -1.073 -6.498 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.081 -8.609 -9.440 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.066 -7.000 -8.091 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.061 -5.894 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.176 -7.612 -6.677 1.00 0.00 H new ATOM 827 N LYS A 58 -3.314 -9.319 -7.356 1.00 0.00 N ATOM 828 CA LYS A 58 -3.586 -10.584 -6.684 1.00 0.00 C ATOM 829 C LYS A 58 -2.316 -11.419 -6.561 1.00 0.00 C ATOM 830 O LYS A 58 -1.543 -11.533 -7.512 1.00 0.00 O ATOM 831 CB LYS A 58 -4.655 -11.371 -7.447 1.00 0.00 C ATOM 832 CG LYS A 58 -5.321 -12.454 -6.616 1.00 0.00 C ATOM 833 CD LYS A 58 -5.930 -13.534 -7.494 1.00 0.00 C ATOM 834 CE LYS A 58 -7.107 -13.002 -8.298 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.981 -14.100 -8.796 1.00 0.00 N ATOM 0 H LYS A 58 -3.739 -9.232 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.952 -10.363 -5.682 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.417 -10.679 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.200 -11.827 -8.326 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.588 -12.900 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.097 -12.010 -5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.171 -13.923 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.259 -14.367 -6.872 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.693 -12.324 -7.678 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.737 -12.421 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.771 -13.696 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.428 -14.733 -9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.355 -14.639 -7.989 1.00 0.00 H new ATOM 924 N GLU A 64 -0.658 -5.792 -12.096 1.00 0.00 N ATOM 925 CA GLU A 64 -0.943 -4.784 -11.081 1.00 0.00 C ATOM 926 C GLU A 64 -1.287 -3.445 -11.727 1.00 0.00 C ATOM 927 O GLU A 64 -0.773 -3.107 -12.793 1.00 0.00 O ATOM 928 CB GLU A 64 0.256 -4.618 -10.146 1.00 0.00 C ATOM 929 CG GLU A 64 1.411 -3.850 -10.766 1.00 0.00 C ATOM 930 CD GLU A 64 2.052 -4.592 -11.922 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.648 -5.663 -11.683 1.00 0.00 O ATOM 932 OE2 GLU A 64 1.956 -4.101 -13.067 1.00 0.00 O ATOM 0 HA GLU A 64 -1.803 -5.120 -10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.068 -4.103 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.608 -5.604 -9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.053 -2.882 -11.115 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.164 -3.655 -10.002 1.00 0.00 H new ATOM 939 N ARG A 65 -2.161 -2.687 -11.073 1.00 0.00 N ATOM 940 CA ARG A 65 -2.576 -1.386 -11.583 1.00 0.00 C ATOM 941 C ARG A 65 -2.257 -0.281 -10.579 1.00 0.00 C ATOM 942 O ARG A 65 -2.335 -0.488 -9.368 1.00 0.00 O ATOM 943 CB ARG A 65 -4.074 -1.390 -11.893 1.00 0.00 C ATOM 944 CG ARG A 65 -4.447 -2.263 -13.081 1.00 0.00 C ATOM 945 CD ARG A 65 -5.872 -1.997 -13.541 1.00 0.00 C ATOM 946 NE ARG A 65 -6.247 -2.838 -14.675 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.918 -2.566 -15.933 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.211 -1.481 -16.217 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.296 -3.380 -16.910 1.00 0.00 N ATOM 0 H ARG A 65 -2.595 -2.952 -10.189 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.022 -1.191 -12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.618 -1.736 -11.014 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.399 -0.368 -12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.757 -2.075 -13.903 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.341 -3.313 -12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.559 -2.176 -12.714 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.973 -0.948 -13.819 1.00 0.00 H new ATOM 0 HE ARG A 65 -6.792 -3.681 -14.491 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.918 -0.853 -15.469 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.960 -1.275 -17.184 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.840 -4.216 -16.696 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.043 -3.170 -17.875 1.00 0.00 H new ATOM 963 N VAL A 66 -1.898 0.891 -11.091 1.00 0.00 N ATOM 964 CA VAL A 66 -1.568 2.028 -10.241 1.00 0.00 C ATOM 965 C VAL A 66 -2.777 2.934 -10.040 1.00 0.00 C ATOM 966 O VAL A 66 -3.463 3.291 -10.998 1.00 0.00 O ATOM 967 CB VAL A 66 -0.413 2.857 -10.834 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.921 3.765 -11.943 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.277 3.665 -9.746 1.00 0.00 C ATOM 0 H VAL A 66 -1.828 1.078 -12.091 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.257 1.622 -9.278 1.00 0.00 H new ATOM 0 HB VAL A 66 0.318 2.172 -11.264 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.091 4.343 -12.349 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.364 3.160 -12.734 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.673 4.444 -11.541 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.090 4.244 -10.183 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.442 4.341 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.678 2.990 -8.990 1.00 0.00 H new ATOM 979 N GLU A 67 -3.033 3.303 -8.789 1.00 0.00 N ATOM 980 CA GLU A 67 -4.161 4.168 -8.463 1.00 0.00 C ATOM 981 C GLU A 67 -3.683 5.464 -7.814 1.00 0.00 C ATOM 982 O GLU A 67 -3.301 5.480 -6.644 1.00 0.00 O ATOM 983 CB GLU A 67 -5.133 3.445 -7.529 1.00 0.00 C ATOM 984 CG GLU A 67 -6.577 3.888 -7.692 1.00 0.00 C ATOM 985 CD GLU A 67 -7.566 2.783 -7.373 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.340 1.638 -7.819 1.00 0.00 O ATOM 987 OE2 GLU A 67 -8.565 3.063 -6.678 1.00 0.00 O ATOM 0 H GLU A 67 -2.475 3.017 -7.985 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.676 4.415 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.068 2.372 -7.711 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.825 3.613 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.767 4.740 -7.040 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.735 4.228 -8.715 1.00 0.00 H new ATOM 994 N ASN A 68 -3.707 6.548 -8.582 1.00 0.00 N ATOM 995 CA ASN A 68 -3.276 7.848 -8.083 1.00 0.00 C ATOM 996 C ASN A 68 -4.323 8.446 -7.148 1.00 0.00 C ATOM 997 O ASN A 68 -5.509 8.496 -7.475 1.00 0.00 O ATOM 998 CB ASN A 68 -3.012 8.803 -9.249 1.00 0.00 C ATOM 999 CG ASN A 68 -3.897 8.512 -10.446 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -3.549 7.476 -11.200 1.00 0.00 O flip ATOM 1001 ND2 ASN A 68 -4.881 9.211 -10.690 1.00 0.00 N flip ATOM 0 H ASN A 68 -4.020 6.552 -9.553 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.352 7.706 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.177 9.829 -8.919 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.966 8.728 -9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.111 9.998 -10.083 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.466 9.003 -11.499 1.00 0.00 H new ATOM 1008 N THR A 69 -3.876 8.901 -5.981 1.00 0.00 N ATOM 1009 CA THR A 69 -4.772 9.496 -4.998 1.00 0.00 C ATOM 1010 C THR A 69 -5.525 10.683 -5.588 1.00 0.00 C ATOM 1011 O THR A 69 -4.922 11.590 -6.160 1.00 0.00 O ATOM 1012 CB THR A 69 -4.005 9.959 -3.746 1.00 0.00 C ATOM 1013 OG1 THR A 69 -3.024 10.938 -4.107 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.327 8.783 -3.060 1.00 0.00 C ATOM 0 H THR A 69 -2.898 8.868 -5.694 1.00 0.00 H new ATOM 0 HA THR A 69 -5.485 8.723 -4.712 1.00 0.00 H new ATOM 0 HB THR A 69 -4.720 10.400 -3.052 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.405 11.835 -4.006 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.792 9.135 -2.178 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.079 8.054 -2.760 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.623 8.316 -3.749 1.00 0.00 H new ATOM 1022 N SER A 70 -6.846 10.671 -5.443 1.00 0.00 N ATOM 1023 CA SER A 70 -7.682 11.746 -5.965 1.00 0.00 C ATOM 1024 C SER A 70 -7.034 13.105 -5.720 1.00 0.00 C ATOM 1025 O SER A 70 -7.260 14.057 -6.468 1.00 0.00 O ATOM 1026 CB SER A 70 -9.067 11.705 -5.315 1.00 0.00 C ATOM 1027 OG SER A 70 -10.037 12.320 -6.144 1.00 0.00 O ATOM 0 H SER A 70 -7.361 9.929 -4.969 1.00 0.00 H new ATOM 0 HA SER A 70 -7.788 11.601 -7.040 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.352 10.671 -5.123 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.035 12.211 -4.350 1.00 0.00 H new ATOM 0 HG SER A 70 -10.913 12.280 -5.707 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.226 13.188 -4.667 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.544 14.430 -4.323 1.00 0.00 C ATOM 1035 C HIS A 71 -4.112 14.157 -3.873 1.00 0.00 C ATOM 1036 O HIS A 71 -3.815 13.135 -3.253 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.305 15.167 -3.221 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.770 15.312 -3.499 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.817 14.522 -3.165 1.00 0.00 N flip ATOM 1040 CD2 HIS A 71 -8.301 16.372 -4.202 1.00 0.00 C flip ATOM 1041 CE1 HIS A 71 -9.950 15.113 -3.666 1.00 0.00 C flip ATOM 1042 NE2 HIS A 71 -9.611 16.229 -4.288 1.00 0.00 N flip ATOM 0 H HIS A 71 -6.028 12.410 -4.038 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.513 15.057 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.173 14.633 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.869 16.157 -3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -7.734 17.192 -4.618 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.955 14.729 -3.568 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.252 16.870 -4.755 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.202 15.089 -4.192 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.787 14.970 -3.831 1.00 0.00 C ATOM 1053 C PRO A 72 -1.557 15.120 -2.331 1.00 0.00 C ATOM 1054 O PRO A 72 -2.156 15.978 -1.684 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.128 16.125 -4.590 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.217 17.125 -4.777 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.486 16.331 -4.930 1.00 0.00 C ATOM 0 HA PRO A 72 -1.383 13.990 -4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.296 16.546 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.727 15.792 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.279 17.799 -3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.034 17.742 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.343 16.859 -4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.712 16.133 -5.978 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.685 14.278 -1.783 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.392 14.334 -0.363 1.00 0.00 C ATOM 1067 C GLY A 73 -1.290 13.424 0.451 1.00 0.00 C ATOM 1068 O GLY A 73 -0.922 12.994 1.543 1.00 0.00 O ATOM 0 H GLY A 73 -0.177 13.559 -2.297 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.649 14.054 -0.199 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.505 15.360 -0.012 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.473 13.132 -0.082 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.427 12.270 0.605 1.00 0.00 C ATOM 1074 C GLU A 74 -2.711 11.133 1.327 1.00 0.00 C ATOM 1075 O GLU A 74 -2.038 10.312 0.703 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.440 11.698 -0.390 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.807 11.432 0.217 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.556 12.708 0.549 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -7.145 13.307 -0.375 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.553 13.107 1.733 1.00 0.00 O ATOM 0 H GLU A 74 -2.793 13.479 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.954 12.872 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.551 12.393 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.047 10.768 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.400 10.838 -0.478 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.689 10.838 1.123 1.00 0.00 H new ATOM 1087 N MET A 75 -2.860 11.091 2.647 1.00 0.00 N ATOM 1088 CA MET A 75 -2.228 10.055 3.455 1.00 0.00 C ATOM 1089 C MET A 75 -3.075 8.786 3.471 1.00 0.00 C ATOM 1090 O MET A 75 -2.803 7.859 4.234 1.00 0.00 O ATOM 1091 CB MET A 75 -2.010 10.555 4.885 1.00 0.00 C ATOM 1092 CG MET A 75 -0.999 11.685 4.986 1.00 0.00 C ATOM 1093 SD MET A 75 0.691 11.089 5.188 1.00 0.00 S ATOM 1094 CE MET A 75 1.166 10.834 3.480 1.00 0.00 C ATOM 0 H MET A 75 -3.413 11.763 3.180 1.00 0.00 H new ATOM 0 HA MET A 75 -1.262 9.820 3.009 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.963 10.893 5.292 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.676 9.723 5.505 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.058 12.301 4.089 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.258 12.325 5.830 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.253 10.832 3.401 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.775 9.878 3.133 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.759 11.637 2.865 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.100 8.753 2.626 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.985 7.598 2.545 1.00 0.00 C ATOM 1106 C GLN A 76 -5.774 7.608 1.240 1.00 0.00 C ATOM 1107 O GLN A 76 -6.202 8.662 0.769 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.946 7.581 3.735 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.859 8.794 3.797 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.117 10.066 4.157 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -5.466 10.679 3.310 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -6.210 10.470 5.418 1.00 0.00 N ATOM 0 H GLN A 76 -4.338 9.513 1.988 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.370 6.698 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.556 6.679 3.685 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.368 7.524 4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.349 8.925 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.644 8.616 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.760 9.931 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.731 11.319 5.718 1.00 0.00 H new ATOM 1121 N VAL A 77 -5.964 6.427 0.660 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.702 6.299 -0.591 1.00 0.00 C ATOM 1123 C VAL A 77 -7.594 5.063 -0.579 1.00 0.00 C ATOM 1124 O VAL A 77 -7.469 4.201 0.292 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.750 6.220 -1.799 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.073 4.859 -1.857 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.503 6.505 -3.090 1.00 0.00 C ATOM 0 H VAL A 77 -5.617 5.545 1.037 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.322 7.190 -0.685 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.977 6.979 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.404 4.822 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.500 4.699 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.830 4.080 -1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.815 6.445 -3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.298 5.770 -3.217 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.936 7.504 -3.046 1.00 0.00 H new ATOM 1137 N THR A 78 -8.497 4.981 -1.552 1.00 0.00 N ATOM 1138 CA THR A 78 -9.411 3.851 -1.653 1.00 0.00 C ATOM 1139 C THR A 78 -9.228 3.112 -2.974 1.00 0.00 C ATOM 1140 O THR A 78 -9.100 3.733 -4.030 1.00 0.00 O ATOM 1141 CB THR A 78 -10.879 4.302 -1.530 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.059 5.059 -0.328 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.815 3.104 -1.526 1.00 0.00 C ATOM 0 H THR A 78 -8.614 5.685 -2.281 1.00 0.00 H new ATOM 0 HA THR A 78 -9.175 3.179 -0.828 1.00 0.00 H new ATOM 0 HB THR A 78 -11.118 4.926 -2.391 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.994 5.344 -0.258 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.846 3.448 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.696 2.546 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.575 2.458 -0.682 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.216 1.785 -2.908 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.051 0.963 -4.100 1.00 0.00 C ATOM 1153 C ILE A 79 -10.300 0.132 -4.373 1.00 0.00 C ATOM 1154 O ILE A 79 -10.457 -0.964 -3.837 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.840 0.020 -3.970 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.626 0.785 -3.437 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.521 -0.621 -5.312 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.160 1.894 -4.353 1.00 0.00 C ATOM 0 H ILE A 79 -9.319 1.256 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.883 1.646 -4.933 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.088 -0.771 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.873 1.209 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.805 0.085 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.663 -1.284 -5.204 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.382 -1.195 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.289 0.156 -6.040 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.297 2.392 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.881 1.475 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.965 2.616 -4.489 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.185 0.662 -5.212 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.420 -0.031 -5.557 1.00 0.00 C ATOM 1172 C GLN A 80 -12.197 -0.995 -6.718 1.00 0.00 C ATOM 1173 O GLN A 80 -11.105 -1.061 -7.281 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.512 0.977 -5.918 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.692 2.076 -4.883 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.561 3.213 -5.383 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.271 3.074 -6.380 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.511 4.345 -4.692 1.00 0.00 N ATOM 0 H GLN A 80 -11.069 1.569 -5.665 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.739 -0.606 -4.688 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.272 1.431 -6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.457 0.448 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.137 1.652 -3.983 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.715 2.468 -4.601 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.908 4.416 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.075 5.144 -4.981 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.239 -1.740 -7.070 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.157 -2.701 -8.164 1.00 0.00 C ATOM 1189 C ASN A 81 -12.275 -3.886 -7.781 1.00 0.00 C ATOM 1190 O ASN A 81 -11.401 -4.296 -8.545 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.607 -2.028 -9.422 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.273 -0.695 -9.703 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.481 -0.628 -9.932 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.487 0.375 -9.686 1.00 0.00 N ATOM 0 H ASN A 81 -14.150 -1.697 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.163 -3.069 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.533 -1.878 -9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.750 -2.690 -10.276 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.879 1.299 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.491 0.273 -9.492 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.512 -4.433 -6.594 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.740 -5.573 -6.109 1.00 0.00 C ATOM 1203 C LEU A 82 -12.645 -6.773 -5.849 1.00 0.00 C ATOM 1204 O LEU A 82 -13.867 -6.639 -5.787 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.991 -5.198 -4.829 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.057 -3.991 -4.926 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.414 -3.703 -3.578 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.993 -4.224 -5.988 1.00 0.00 C ATOM 0 H LEU A 82 -13.232 -4.106 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.018 -5.846 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.725 -5.002 -4.047 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.406 -6.060 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.647 -3.122 -5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.753 -2.841 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.190 -3.491 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.838 -4.571 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.337 -3.355 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.406 -5.105 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.472 -4.379 -6.955 1.00 0.00 H new ATOM 1220 N MET A 83 -12.037 -7.944 -5.697 1.00 0.00 N ATOM 1221 CA MET A 83 -12.788 -9.167 -5.440 1.00 0.00 C ATOM 1222 C MET A 83 -12.738 -9.536 -3.961 1.00 0.00 C ATOM 1223 O MET A 83 -11.695 -9.456 -3.312 1.00 0.00 O ATOM 1224 CB MET A 83 -12.234 -10.318 -6.284 1.00 0.00 C ATOM 1225 CG MET A 83 -12.739 -11.685 -5.852 1.00 0.00 C ATOM 1226 SD MET A 83 -11.860 -13.037 -6.660 1.00 0.00 S ATOM 1227 CE MET A 83 -12.334 -12.775 -8.368 1.00 0.00 C ATOM 0 H MET A 83 -11.026 -8.072 -5.747 1.00 0.00 H new ATOM 0 HA MET A 83 -13.827 -8.990 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.502 -10.154 -7.328 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.145 -10.307 -6.228 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.633 -11.782 -4.772 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.803 -11.763 -6.077 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.034 -13.636 -8.965 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.415 -12.649 -8.430 1.00 0.00 H new ATOM 0 HE3 MET A 83 -11.842 -11.880 -8.749 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.891 -9.950 -3.414 1.00 0.00 N ATOM 1238 CA PRO A 84 -14.004 -10.339 -2.005 1.00 0.00 C ATOM 1239 C PRO A 84 -13.279 -11.646 -1.705 1.00 0.00 C ATOM 1240 O PRO A 84 -13.066 -12.468 -2.596 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.512 -10.506 -1.803 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.043 -10.820 -3.159 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.173 -10.070 -4.129 1.00 0.00 C ATOM 0 HA PRO A 84 -13.550 -9.603 -1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.731 -11.307 -1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.961 -9.597 -1.403 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.009 -11.892 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.085 -10.513 -3.251 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.060 -10.611 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.591 -9.093 -4.372 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.901 -11.832 -0.445 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.202 -13.041 -0.027 1.00 0.00 C ATOM 1253 C ALA A 85 -11.021 -13.337 -0.945 1.00 0.00 C ATOM 1254 O ALA A 85 -10.760 -14.491 -1.287 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.160 -14.222 0.001 1.00 0.00 C ATOM 0 H ALA A 85 -13.067 -11.161 0.305 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.815 -12.878 0.979 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.624 -15.118 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.968 -14.018 0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.575 -14.378 -0.995 1.00 0.00 H new ATOM 1261 N THR A 86 -10.309 -12.287 -1.343 1.00 0.00 N ATOM 1262 CA THR A 86 -9.156 -12.435 -2.223 1.00 0.00 C ATOM 1263 C THR A 86 -8.011 -11.529 -1.785 1.00 0.00 C ATOM 1264 O THR A 86 -8.143 -10.305 -1.773 1.00 0.00 O ATOM 1265 CB THR A 86 -9.521 -12.112 -3.684 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.474 -13.062 -4.173 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.282 -12.128 -4.567 1.00 0.00 C ATOM 0 H THR A 86 -10.511 -11.325 -1.070 1.00 0.00 H new ATOM 0 HA THR A 86 -8.838 -13.476 -2.157 1.00 0.00 H new ATOM 0 HB THR A 86 -9.957 -11.113 -3.714 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.626 -12.910 -5.129 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.564 -11.897 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.571 -11.383 -4.210 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.822 -13.115 -4.530 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.885 -12.139 -1.426 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.715 -11.387 -0.989 1.00 0.00 C ATOM 1277 C VAL A 87 -5.201 -10.476 -2.098 1.00 0.00 C ATOM 1278 O VAL A 87 -5.322 -10.793 -3.282 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.579 -12.326 -0.543 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.260 -11.572 -0.470 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.911 -12.967 0.796 1.00 0.00 C ATOM 0 H VAL A 87 -6.759 -13.151 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.028 -10.779 -0.140 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.476 -13.119 -1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.469 -12.252 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.018 -11.166 -1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.346 -10.756 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.097 -13.627 1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.043 -12.190 1.549 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.831 -13.544 0.705 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.627 -9.344 -1.707 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.096 -8.385 -2.669 1.00 0.00 C ATOM 1293 C TYR A 88 -2.860 -7.683 -2.113 1.00 0.00 C ATOM 1294 O TYR A 88 -2.837 -7.271 -0.953 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.163 -7.351 -3.033 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.203 -7.869 -4.000 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.905 -8.036 -5.347 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.482 -8.194 -3.567 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.853 -8.508 -6.235 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.436 -8.668 -4.447 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.116 -8.823 -5.780 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.062 -9.295 -6.661 1.00 0.00 O ATOM 0 H TYR A 88 -4.517 -9.068 -0.731 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.808 -8.932 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.660 -7.018 -2.122 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.677 -6.478 -3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.916 -7.793 -5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.735 -8.074 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.606 -8.629 -7.279 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.426 -8.916 -4.094 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.619 -9.785 -7.385 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.836 -7.551 -2.949 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.598 -6.898 -2.543 1.00 0.00 C ATOM 1314 C ILE A 89 -0.588 -5.431 -2.960 1.00 0.00 C ATOM 1315 O ILE A 89 -0.384 -5.110 -4.131 1.00 0.00 O ATOM 1316 CB ILE A 89 0.633 -7.600 -3.145 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.356 -9.094 -3.329 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.851 -7.387 -2.259 1.00 0.00 C ATOM 1319 CD1 ILE A 89 -0.058 -9.793 -2.053 1.00 0.00 C ATOM 0 H ILE A 89 -1.839 -7.888 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.548 -6.965 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 89 0.839 -7.164 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.429 -9.221 -4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.251 -9.575 -3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.713 -7.889 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.057 -6.320 -2.174 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.657 -7.799 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.238 -10.848 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.736 -9.698 -1.312 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.970 -9.337 -1.668 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.807 -4.545 -1.995 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.821 -3.112 -2.261 1.00 0.00 C ATOM 1333 C PHE A 90 0.558 -2.501 -2.030 1.00 0.00 C ATOM 1334 O PHE A 90 1.217 -2.791 -1.032 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.855 -2.417 -1.372 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.268 -2.846 -1.647 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.779 -3.999 -1.074 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.084 -2.097 -2.479 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.079 -4.397 -1.324 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.385 -2.490 -2.733 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.882 -3.642 -2.156 1.00 0.00 C ATOM 0 H PHE A 90 -0.977 -4.794 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.093 -2.965 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.619 -2.620 -0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.777 -1.339 -1.513 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.154 -4.594 -0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.700 -1.196 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.466 -5.297 -0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.012 -1.897 -3.382 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.897 -3.952 -2.355 1.00 0.00 H new ATOM 1351 N ARG A 91 0.987 -1.655 -2.961 1.00 0.00 N ATOM 1352 CA ARG A 91 2.288 -1.004 -2.860 1.00 0.00 C ATOM 1353 C ARG A 91 2.150 0.510 -2.987 1.00 0.00 C ATOM 1354 O ARG A 91 1.685 1.018 -4.008 1.00 0.00 O ATOM 1355 CB ARG A 91 3.231 -1.533 -3.942 1.00 0.00 C ATOM 1356 CG ARG A 91 3.691 -2.962 -3.702 1.00 0.00 C ATOM 1357 CD ARG A 91 4.828 -3.346 -4.638 1.00 0.00 C ATOM 1358 NE ARG A 91 5.196 -4.752 -4.503 1.00 0.00 N ATOM 1359 CZ ARG A 91 4.528 -5.745 -5.081 1.00 0.00 C ATOM 1360 NH1 ARG A 91 3.464 -5.486 -5.829 1.00 0.00 N ATOM 1361 NH2 ARG A 91 4.925 -7.000 -4.912 1.00 0.00 N ATOM 0 H ARG A 91 0.453 -1.404 -3.793 1.00 0.00 H new ATOM 0 HA ARG A 91 2.706 -1.232 -1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.729 -1.479 -4.908 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.105 -0.884 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.017 -3.072 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.853 -3.644 -3.846 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.533 -3.146 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.697 -2.722 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 91 6.010 -4.985 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.156 -4.523 -5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.953 -6.250 -6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.743 -7.203 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.412 -7.761 -5.356 1.00 0.00 H new ATOM 1375 N VAL A 92 2.556 1.226 -1.943 1.00 0.00 N ATOM 1376 CA VAL A 92 2.479 2.682 -1.938 1.00 0.00 C ATOM 1377 C VAL A 92 3.811 3.305 -2.339 1.00 0.00 C ATOM 1378 O VAL A 92 4.876 2.781 -2.012 1.00 0.00 O ATOM 1379 CB VAL A 92 2.070 3.217 -0.553 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.504 4.624 -0.669 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.067 2.282 0.105 1.00 0.00 C ATOM 0 H VAL A 92 2.942 0.821 -1.090 1.00 0.00 H new ATOM 0 HA VAL A 92 1.718 2.961 -2.667 1.00 0.00 H new ATOM 0 HB VAL A 92 2.959 3.260 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.221 4.985 0.320 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.258 5.286 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.627 4.611 -1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.789 2.676 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.178 2.204 -0.521 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.514 1.295 0.225 1.00 0.00 H new ATOM 1391 N MET A 93 3.744 4.426 -3.049 1.00 0.00 N ATOM 1392 CA MET A 93 4.946 5.122 -3.493 1.00 0.00 C ATOM 1393 C MET A 93 4.683 6.616 -3.649 1.00 0.00 C ATOM 1394 O MET A 93 3.590 7.026 -4.038 1.00 0.00 O ATOM 1395 CB MET A 93 5.439 4.538 -4.819 1.00 0.00 C ATOM 1396 CG MET A 93 6.715 5.185 -5.331 1.00 0.00 C ATOM 1397 SD MET A 93 7.587 4.152 -6.524 1.00 0.00 S ATOM 1398 CE MET A 93 6.289 3.847 -7.720 1.00 0.00 C ATOM 0 H MET A 93 2.870 4.872 -3.329 1.00 0.00 H new ATOM 0 HA MET A 93 5.716 4.984 -2.734 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.608 3.468 -4.695 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.657 4.652 -5.570 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.472 6.142 -5.794 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.374 5.396 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.684 3.979 -8.727 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.921 2.828 -7.605 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.471 4.549 -7.556 1.00 0.00 H new ATOM 1408 N ALA A 94 5.692 7.425 -3.343 1.00 0.00 N ATOM 1409 CA ALA A 94 5.570 8.874 -3.451 1.00 0.00 C ATOM 1410 C ALA A 94 6.017 9.362 -4.825 1.00 0.00 C ATOM 1411 O ALA A 94 6.801 8.699 -5.503 1.00 0.00 O ATOM 1412 CB ALA A 94 6.380 9.555 -2.358 1.00 0.00 C ATOM 0 H ALA A 94 6.603 7.102 -3.018 1.00 0.00 H new ATOM 0 HA ALA A 94 4.519 9.135 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.280 10.636 -2.451 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.012 9.239 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.430 9.278 -2.457 1.00 0.00 H new ATOM 1418 N GLN A 95 5.511 10.523 -5.229 1.00 0.00 N ATOM 1419 CA GLN A 95 5.858 11.097 -6.523 1.00 0.00 C ATOM 1420 C GLN A 95 5.914 12.620 -6.446 1.00 0.00 C ATOM 1421 O GLN A 95 4.969 13.263 -5.991 1.00 0.00 O ATOM 1422 CB GLN A 95 4.845 10.666 -7.585 1.00 0.00 C ATOM 1423 CG GLN A 95 5.267 9.431 -8.363 1.00 0.00 C ATOM 1424 CD GLN A 95 4.093 8.553 -8.747 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.042 9.047 -9.158 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.265 7.243 -8.617 1.00 0.00 N ATOM 0 H GLN A 95 4.860 11.084 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 95 6.845 10.728 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.887 10.472 -7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.690 11.489 -8.283 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.796 9.738 -9.265 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.969 8.851 -7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.153 6.877 -8.273 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.510 6.603 -8.862 1.00 0.00 H new ATOM 1435 N ASN A 96 7.028 13.189 -6.893 1.00 0.00 N ATOM 1436 CA ASN A 96 7.208 14.637 -6.873 1.00 0.00 C ATOM 1437 C ASN A 96 7.392 15.181 -8.286 1.00 0.00 C ATOM 1438 O ASN A 96 7.423 14.424 -9.256 1.00 0.00 O ATOM 1439 CB ASN A 96 8.415 15.010 -6.009 1.00 0.00 C ATOM 1440 CG ASN A 96 9.729 14.590 -6.639 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.511 15.428 -7.088 1.00 0.00 O ATOM 1442 ND2 ASN A 96 9.977 13.285 -6.676 1.00 0.00 N ATOM 0 H ASN A 96 7.820 12.671 -7.273 1.00 0.00 H new ATOM 0 HA ASN A 96 6.311 15.084 -6.444 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.422 16.088 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.317 14.539 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.845 12.942 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.300 12.626 -6.292 1.00 0.00 H new ATOM 1449 N LYS A 97 7.514 16.500 -8.395 1.00 0.00 N ATOM 1450 CA LYS A 97 7.697 17.148 -9.688 1.00 0.00 C ATOM 1451 C LYS A 97 8.689 16.373 -10.549 1.00 0.00 C ATOM 1452 O LYS A 97 8.672 16.475 -11.777 1.00 0.00 O ATOM 1453 CB LYS A 97 8.185 18.586 -9.497 1.00 0.00 C ATOM 1454 CG LYS A 97 9.532 18.683 -8.802 1.00 0.00 C ATOM 1455 CD LYS A 97 9.663 19.977 -8.017 1.00 0.00 C ATOM 1456 CE LYS A 97 10.041 21.141 -8.919 1.00 0.00 C ATOM 1457 NZ LYS A 97 9.650 22.451 -8.327 1.00 0.00 N ATOM 0 H LYS A 97 7.489 17.141 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 97 6.734 17.163 -10.198 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.252 19.071 -10.471 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.445 19.138 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.657 17.834 -8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.330 18.623 -9.543 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.721 20.196 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.418 19.857 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.116 21.129 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.557 21.021 -9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.925 23.219 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 8.620 22.473 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.132 22.577 -7.414 1.00 0.00 H new ATOM 1471 N HIS A 98 9.551 15.598 -9.899 1.00 0.00 N ATOM 1472 CA HIS A 98 10.549 14.804 -10.607 1.00 0.00 C ATOM 1473 C HIS A 98 9.916 13.563 -11.227 1.00 0.00 C ATOM 1474 O HIS A 98 9.936 13.386 -12.444 1.00 0.00 O ATOM 1475 CB HIS A 98 11.675 14.396 -9.655 1.00 0.00 C ATOM 1476 CG HIS A 98 12.423 15.558 -9.079 1.00 0.00 C ATOM 1477 ND1 HIS A 98 12.931 15.758 -7.840 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 12.724 16.693 -9.802 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.524 16.997 -7.838 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.386 17.540 -9.034 1.00 0.00 N flip ATOM 0 H HIS A 98 9.579 15.503 -8.884 1.00 0.00 H new ATOM 0 HA HIS A 98 10.964 15.416 -11.408 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.255 13.805 -8.841 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.375 13.752 -10.188 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.460 16.863 -10.835 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.022 17.453 -6.995 1.00 0.00 H new ATOM 0 HE2 HIS A 98 13.732 18.457 -9.317 1.00 0.00 H new ATOM 1489 N GLY A 99 9.355 12.705 -10.380 1.00 0.00 N ATOM 1490 CA GLY A 99 8.724 11.490 -10.864 1.00 0.00 C ATOM 1491 C GLY A 99 8.363 10.538 -9.742 1.00 0.00 C ATOM 1492 O GLY A 99 7.592 10.886 -8.848 1.00 0.00 O ATOM 0 H GLY A 99 9.326 12.829 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.823 11.749 -11.421 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.396 10.988 -11.560 1.00 0.00 H new ATOM 1496 N SER A 100 8.919 9.332 -9.789 1.00 0.00 N ATOM 1497 CA SER A 100 8.647 8.324 -8.771 1.00 0.00 C ATOM 1498 C SER A 100 9.911 7.988 -7.986 1.00 0.00 C ATOM 1499 O SER A 100 10.989 7.838 -8.559 1.00 0.00 O ATOM 1500 CB SER A 100 8.082 7.057 -9.416 1.00 0.00 C ATOM 1501 OG SER A 100 8.456 5.902 -8.685 1.00 0.00 O ATOM 0 H SER A 100 9.561 9.029 -10.521 1.00 0.00 H new ATOM 0 HA SER A 100 7.909 8.732 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.995 7.124 -9.465 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.443 6.975 -10.441 1.00 0.00 H new ATOM 0 HG SER A 100 7.937 5.858 -7.855 1.00 0.00 H new ATOM 1507 N GLY A 101 9.770 7.872 -6.669 1.00 0.00 N ATOM 1508 CA GLY A 101 10.908 7.556 -5.826 1.00 0.00 C ATOM 1509 C GLY A 101 10.981 6.081 -5.481 1.00 0.00 C ATOM 1510 O GLY A 101 10.881 5.226 -6.360 1.00 0.00 O ATOM 0 H GLY A 101 8.888 7.991 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.826 7.853 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.849 8.139 -4.907 1.00 0.00 H new ATOM 1514 N GLU A 102 11.158 5.784 -4.197 1.00 0.00 N ATOM 1515 CA GLU A 102 11.248 4.402 -3.740 1.00 0.00 C ATOM 1516 C GLU A 102 9.863 3.841 -3.429 1.00 0.00 C ATOM 1517 O GLU A 102 9.053 4.489 -2.766 1.00 0.00 O ATOM 1518 CB GLU A 102 12.138 4.309 -2.499 1.00 0.00 C ATOM 1519 CG GLU A 102 12.365 2.886 -2.017 1.00 0.00 C ATOM 1520 CD GLU A 102 13.225 2.822 -0.770 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.807 3.375 0.269 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.316 2.218 -0.833 1.00 0.00 O ATOM 0 H GLU A 102 11.242 6.480 -3.456 1.00 0.00 H new ATOM 0 HA GLU A 102 11.690 3.809 -4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.102 4.767 -2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.686 4.888 -1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.402 2.417 -1.814 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.839 2.309 -2.811 1.00 0.00 H new ATOM 1529 N SER A 103 9.599 2.632 -3.914 1.00 0.00 N ATOM 1530 CA SER A 103 8.311 1.985 -3.692 1.00 0.00 C ATOM 1531 C SER A 103 8.263 1.325 -2.317 1.00 0.00 C ATOM 1532 O SER A 103 9.113 0.499 -1.984 1.00 0.00 O ATOM 1533 CB SER A 103 8.047 0.942 -4.780 1.00 0.00 C ATOM 1534 OG SER A 103 8.448 1.419 -6.053 1.00 0.00 O ATOM 0 H SER A 103 10.259 2.081 -4.463 1.00 0.00 H new ATOM 0 HA SER A 103 7.536 2.750 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.586 0.024 -4.546 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.986 0.693 -4.799 1.00 0.00 H new ATOM 0 HG SER A 103 8.355 2.394 -6.081 1.00 0.00 H new ATOM 1540 N SER A 104 7.264 1.697 -1.524 1.00 0.00 N ATOM 1541 CA SER A 104 7.107 1.145 -0.183 1.00 0.00 C ATOM 1542 C SER A 104 7.026 -0.378 -0.228 1.00 0.00 C ATOM 1543 O SER A 104 7.033 -0.979 -1.302 1.00 0.00 O ATOM 1544 CB SER A 104 5.852 1.715 0.482 1.00 0.00 C ATOM 1545 OG SER A 104 4.687 1.049 0.026 1.00 0.00 O ATOM 0 H SER A 104 6.551 2.378 -1.786 1.00 0.00 H new ATOM 0 HA SER A 104 7.981 1.427 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.932 1.614 1.564 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.774 2.781 0.266 1.00 0.00 H new ATOM 0 HG SER A 104 4.320 0.500 0.750 1.00 0.00 H new ATOM 1551 N ALA A 105 6.949 -0.995 0.946 1.00 0.00 N ATOM 1552 CA ALA A 105 6.864 -2.447 1.042 1.00 0.00 C ATOM 1553 C ALA A 105 5.478 -2.943 0.646 1.00 0.00 C ATOM 1554 O ALA A 105 4.468 -2.272 0.857 1.00 0.00 O ATOM 1555 CB ALA A 105 7.208 -2.904 2.452 1.00 0.00 C ATOM 0 H ALA A 105 6.944 -0.512 1.844 1.00 0.00 H new ATOM 0 HA ALA A 105 7.586 -2.875 0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.140 -3.990 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.222 -2.590 2.699 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.508 -2.459 3.160 1.00 0.00 H new ATOM 1561 N PRO A 106 5.426 -4.147 0.056 1.00 0.00 N ATOM 1562 CA PRO A 106 4.168 -4.760 -0.382 1.00 0.00 C ATOM 1563 C PRO A 106 3.292 -5.187 0.791 1.00 0.00 C ATOM 1564 O PRO A 106 3.675 -6.048 1.584 1.00 0.00 O ATOM 1565 CB PRO A 106 4.629 -5.983 -1.179 1.00 0.00 C ATOM 1566 CG PRO A 106 5.970 -6.315 -0.623 1.00 0.00 C ATOM 1567 CD PRO A 106 6.590 -5.003 -0.227 1.00 0.00 C ATOM 0 HA PRO A 106 3.554 -4.066 -0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.935 -6.816 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.686 -5.762 -2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.883 -6.980 0.236 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.583 -6.829 -1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.232 -5.110 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.206 -4.592 -1.027 1.00 0.00 H new ATOM 1575 N LEU A 107 2.114 -4.581 0.894 1.00 0.00 N ATOM 1576 CA LEU A 107 1.182 -4.900 1.971 1.00 0.00 C ATOM 1577 C LEU A 107 0.205 -5.988 1.540 1.00 0.00 C ATOM 1578 O LEU A 107 -0.425 -5.890 0.486 1.00 0.00 O ATOM 1579 CB LEU A 107 0.414 -3.647 2.394 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.717 -3.861 3.400 1.00 0.00 C ATOM 1581 CD1 LEU A 107 -0.164 -4.351 4.729 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.511 -2.576 3.592 1.00 0.00 C ATOM 0 H LEU A 107 1.782 -3.867 0.246 1.00 0.00 H new ATOM 0 HA LEU A 107 1.757 -5.270 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.123 -2.937 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -0.004 -3.183 1.501 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.388 -4.624 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.984 -4.498 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.359 -5.295 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.530 -3.612 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.312 -2.747 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.851 -1.792 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.940 -2.267 2.639 1.00 0.00 H new ATOM 1594 N ARG A 108 0.081 -7.025 2.363 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.821 -8.131 2.068 1.00 0.00 C ATOM 1596 C ARG A 108 -2.172 -7.928 2.749 1.00 0.00 C ATOM 1597 O ARG A 108 -2.298 -8.092 3.962 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.203 -9.455 2.521 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.130 -10.649 2.354 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.493 -11.926 2.878 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.498 -11.982 4.337 1.00 0.00 N ATOM 1602 CZ ARG A 108 -0.370 -13.108 5.030 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -0.228 -14.265 4.400 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -0.385 -13.077 6.357 1.00 0.00 N ATOM 0 H ARG A 108 0.594 -7.122 3.239 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.978 -8.161 0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.710 -9.633 1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.084 -9.372 3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.064 -10.463 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.381 -10.772 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.029 -12.788 2.480 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.533 -11.994 2.516 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.606 -11.108 4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -0.217 -14.293 3.380 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -0.130 -15.128 4.935 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.495 -12.188 6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -0.287 -13.942 6.888 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.179 -7.570 1.959 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.520 -7.345 2.484 1.00 0.00 C ATOM 1620 C VAL A 109 -5.504 -8.374 1.939 1.00 0.00 C ATOM 1621 O VAL A 109 -5.442 -8.746 0.767 1.00 0.00 O ATOM 1622 CB VAL A 109 -5.028 -5.933 2.140 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.432 -5.722 2.686 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -4.074 -4.878 2.679 1.00 0.00 C ATOM 0 H VAL A 109 -3.091 -7.430 0.953 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.456 -7.446 3.567 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.068 -5.835 1.055 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.774 -4.718 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.107 -6.457 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.422 -5.839 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.448 -3.886 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.000 -4.973 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.089 -5.018 2.235 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.411 -8.831 2.797 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.408 -9.818 2.400 1.00 0.00 C ATOM 1636 C GLU A 110 -8.820 -9.274 2.596 1.00 0.00 C ATOM 1637 O GLU A 110 -9.211 -8.912 3.707 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.230 -11.107 3.204 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.137 -12.238 2.750 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.013 -13.472 3.622 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -7.765 -13.318 4.836 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.165 -14.592 3.090 1.00 0.00 O ATOM 0 H GLU A 110 -6.476 -8.534 3.771 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.265 -10.036 1.342 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.192 -11.432 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.423 -10.898 4.256 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.171 -11.895 2.758 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.896 -12.500 1.720 1.00 0.00 H new ATOM 1649 N THR A 111 -9.583 -9.217 1.509 1.00 0.00 N ATOM 1650 CA THR A 111 -10.951 -8.716 1.560 1.00 0.00 C ATOM 1651 C THR A 111 -11.855 -9.664 2.342 1.00 0.00 C ATOM 1652 O THR A 111 -11.422 -10.730 2.776 1.00 0.00 O ATOM 1653 CB THR A 111 -11.531 -8.521 0.147 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.145 -9.613 -0.696 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.050 -7.212 -0.459 1.00 0.00 C ATOM 0 H THR A 111 -9.276 -9.512 0.582 1.00 0.00 H new ATOM 0 HA THR A 111 -10.916 -7.751 2.066 1.00 0.00 H new ATOM 0 HB THR A 111 -12.618 -8.489 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.291 -9.370 -1.634 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.473 -7.096 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.370 -6.381 0.169 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.962 -7.219 -0.524 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.111 -9.266 2.515 1.00 0.00 N ATOM 1664 CA GLN A 112 -14.075 -10.081 3.245 1.00 0.00 C ATOM 1665 C GLN A 112 -15.021 -10.796 2.285 1.00 0.00 C ATOM 1666 O GLN A 112 -15.419 -10.257 1.252 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.876 -9.213 4.217 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.121 -7.985 4.700 1.00 0.00 C ATOM 1669 CD GLN A 112 -13.055 -8.321 5.724 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.729 -9.490 5.938 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.503 -7.296 6.363 1.00 0.00 N ATOM 0 H GLN A 112 -13.485 -8.386 2.160 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.524 -10.833 3.810 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.798 -8.894 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.162 -9.816 5.079 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.657 -7.490 3.847 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.827 -7.277 5.135 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.803 -6.344 6.155 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.779 -7.461 7.062 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.390 -12.038 2.632 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.293 -12.853 1.814 1.00 0.00 C ATOM 1682 C PRO A 113 -17.722 -12.321 1.824 1.00 0.00 C ATOM 1683 O PRO A 113 -18.442 -12.470 2.810 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.230 -14.229 2.481 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.849 -13.949 3.894 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.953 -12.742 3.849 1.00 0.00 C ATOM 0 HA PRO A 113 -15.999 -12.859 0.764 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.191 -14.741 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.497 -14.872 1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.731 -13.758 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.333 -14.802 4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -15.071 -12.121 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.901 -13.024 3.795 1.00 0.00 H new