USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=27 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= -6.08 K(o=-7.8,f=-8.9!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -1.75 F(o=-11!,f=-7.8) USER MOD Set 2.1: A 53 SER OG : rot -140:sc= 0.067 USER MOD Set 2.2: A 68 ASN : amide:sc= -0.0847 X(o=0.043,f=0.043) USER MOD Set 2.3: A 95 GLN : amide:sc= 0.061 X(o=0.043,f=-0.36) USER MOD Set 3.1: A 52 TYR OH : rot -130:sc= -0.888 USER MOD Set 3.2: A 75 MET CE :methyl 178:sc= -5.09! (180deg=-5.13!) 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= 1.09 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00165 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -3:sc= 0.303 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0891 USER MOD Single : A 43 SER OG : rot 140:sc= -0.332 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 49 ASN :FLIP amide:sc= -0.303 F(o=-1.2,f=-0.3) USER MOD Single : A 51 THR OG1 : rot 180:sc=0.000615 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -124:sc= -0.0184 (180deg=-2.17!) USER MOD Single : A 69 THR OG1 : rot 97:sc= 1.28 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0177 X(o=-0.018,f=-0.018) USER MOD Single : A 76 GLN : amide:sc= -2.36 K(o=-2.4,f=-4.5) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 81 ASN : amide:sc= -1.22 X(o=-1.2,f=-0.89) USER MOD Single : A 83 MET CE :methyl -167:sc=-0.00533 (180deg=-0.198) USER MOD Single : A 86 THR OG1 : rot -177:sc= 1 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 MET CE :methyl 135:sc= -1.24 (180deg=-3.35!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 30:sc= 0.657 USER MOD Single : A 103 SER OG : rot 49:sc= 0.0856 USER MOD Single : A 104 SER OG : rot -56:sc= 0.308! USER MOD Single : A 111 THR OG1 : rot -171:sc= 2.09 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.861 11.085 -5.744 1.00 0.00 N ATOM 183 CA LEU A 17 14.459 10.695 -5.641 1.00 0.00 C ATOM 184 C LEU A 17 14.053 10.501 -4.184 1.00 0.00 C ATOM 185 O LEU A 17 14.868 10.155 -3.328 1.00 0.00 O ATOM 186 CB LEU A 17 14.208 9.407 -6.428 1.00 0.00 C ATOM 187 CG LEU A 17 14.087 9.559 -7.944 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.181 8.203 -8.626 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.782 10.253 -8.308 1.00 0.00 C ATOM 0 HA LEU A 17 13.853 11.496 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.020 8.712 -6.217 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.292 8.950 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 17 14.914 10.177 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.093 8.331 -9.705 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.142 7.744 -8.393 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.376 7.560 -8.270 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.713 10.353 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.942 9.662 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.756 11.242 -7.850 1.00 0.00 H new ATOM 201 N PRO A 18 12.763 10.728 -3.893 1.00 0.00 N ATOM 202 CA PRO A 18 12.219 10.581 -2.540 1.00 0.00 C ATOM 203 C PRO A 18 12.167 9.125 -2.090 1.00 0.00 C ATOM 204 O PRO A 18 12.624 8.230 -2.800 1.00 0.00 O ATOM 205 CB PRO A 18 10.805 11.155 -2.662 1.00 0.00 C ATOM 206 CG PRO A 18 10.451 10.986 -4.099 1.00 0.00 C ATOM 207 CD PRO A 18 11.736 11.143 -4.864 1.00 0.00 C ATOM 0 HA PRO A 18 12.836 11.085 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.105 10.624 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.777 12.204 -2.368 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.007 10.007 -4.279 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.718 11.730 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.751 10.518 -5.757 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.885 12.172 -5.192 1.00 0.00 H new ATOM 215 N SER A 19 11.606 8.896 -0.907 1.00 0.00 N ATOM 216 CA SER A 19 11.497 7.548 -0.361 1.00 0.00 C ATOM 217 C SER A 19 10.039 7.187 -0.093 1.00 0.00 C ATOM 218 O SER A 19 9.234 8.043 0.273 1.00 0.00 O ATOM 219 CB SER A 19 12.310 7.431 0.930 1.00 0.00 C ATOM 220 OG SER A 19 12.570 6.074 1.247 1.00 0.00 O ATOM 0 H SER A 19 11.220 9.626 -0.308 1.00 0.00 H new ATOM 0 HA SER A 19 11.896 6.850 -1.097 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.252 7.969 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.767 7.902 1.750 1.00 0.00 H new ATOM 0 HG SER A 19 13.092 6.026 2.075 1.00 0.00 H new ATOM 226 N ALA A 20 9.708 5.914 -0.277 1.00 0.00 N ATOM 227 CA ALA A 20 8.349 5.438 -0.053 1.00 0.00 C ATOM 228 C ALA A 20 7.861 5.805 1.344 1.00 0.00 C ATOM 229 O ALA A 20 8.645 5.952 2.282 1.00 0.00 O ATOM 230 CB ALA A 20 8.276 3.932 -0.261 1.00 0.00 C ATOM 0 H ALA A 20 10.363 5.193 -0.581 1.00 0.00 H new ATOM 0 HA ALA A 20 7.696 5.926 -0.777 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.255 3.590 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.574 3.691 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.947 3.435 0.440 1.00 0.00 H new ATOM 236 N PRO A 21 6.537 5.959 1.488 1.00 0.00 N ATOM 237 CA PRO A 21 5.915 6.312 2.768 1.00 0.00 C ATOM 238 C PRO A 21 5.993 5.176 3.783 1.00 0.00 C ATOM 239 O PRO A 21 6.342 4.047 3.439 1.00 0.00 O ATOM 240 CB PRO A 21 4.459 6.592 2.390 1.00 0.00 C ATOM 241 CG PRO A 21 4.231 5.802 1.148 1.00 0.00 C ATOM 242 CD PRO A 21 5.543 5.799 0.413 1.00 0.00 C ATOM 0 HA PRO A 21 6.415 7.155 3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.778 6.286 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.292 7.655 2.219 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.914 4.786 1.384 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.444 6.249 0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.693 4.870 -0.138 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.600 6.612 -0.311 1.00 0.00 H new ATOM 250 N ARG A 22 5.666 5.483 5.034 1.00 0.00 N ATOM 251 CA ARG A 22 5.700 4.488 6.099 1.00 0.00 C ATOM 252 C ARG A 22 4.308 4.270 6.684 1.00 0.00 C ATOM 253 O ARG A 22 3.324 4.827 6.196 1.00 0.00 O ATOM 254 CB ARG A 22 6.666 4.923 7.202 1.00 0.00 C ATOM 255 CG ARG A 22 7.818 5.780 6.701 1.00 0.00 C ATOM 256 CD ARG A 22 9.067 5.584 7.546 1.00 0.00 C ATOM 257 NE ARG A 22 9.861 4.446 7.093 1.00 0.00 N ATOM 258 CZ ARG A 22 10.865 3.926 7.791 1.00 0.00 C ATOM 259 NH1 ARG A 22 11.194 4.440 8.968 1.00 0.00 N ATOM 260 NH2 ARG A 22 11.541 2.890 7.312 1.00 0.00 N ATOM 0 H ARG A 22 5.374 6.413 5.335 1.00 0.00 H new ATOM 0 HA ARG A 22 6.047 3.547 5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.113 5.479 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.070 4.036 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.036 5.528 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.526 6.830 6.719 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.675 6.488 7.509 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.781 5.435 8.587 1.00 0.00 H new ATOM 0 HE ARG A 22 9.633 4.027 6.191 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.676 5.236 9.340 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.965 4.039 9.502 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.290 2.492 6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.312 2.492 7.849 1.00 0.00 H new ATOM 274 N ASP A 23 4.233 3.457 7.732 1.00 0.00 N ATOM 275 CA ASP A 23 2.961 3.166 8.384 1.00 0.00 C ATOM 276 C ASP A 23 1.921 2.708 7.367 1.00 0.00 C ATOM 277 O ASP A 23 0.730 2.979 7.516 1.00 0.00 O ATOM 278 CB ASP A 23 2.453 4.400 9.131 1.00 0.00 C ATOM 279 CG ASP A 23 3.002 4.489 10.542 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.131 4.997 10.708 1.00 0.00 O ATOM 281 OD2 ASP A 23 2.303 4.050 11.480 1.00 0.00 O ATOM 0 H ASP A 23 5.037 2.988 8.148 1.00 0.00 H new ATOM 0 HA ASP A 23 3.123 2.359 9.099 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.733 5.297 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.364 4.376 9.169 1.00 0.00 H new ATOM 286 N VAL A 24 2.380 2.012 6.331 1.00 0.00 N ATOM 287 CA VAL A 24 1.489 1.516 5.289 1.00 0.00 C ATOM 288 C VAL A 24 0.544 0.451 5.834 1.00 0.00 C ATOM 289 O VAL A 24 0.930 -0.704 6.014 1.00 0.00 O ATOM 290 CB VAL A 24 2.282 0.926 4.107 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.340 0.294 3.094 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.140 1.998 3.453 1.00 0.00 C ATOM 0 H VAL A 24 3.363 1.779 6.191 1.00 0.00 H new ATOM 0 HA VAL A 24 0.907 2.368 4.938 1.00 0.00 H new ATOM 0 HB VAL A 24 2.942 0.147 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.918 -0.117 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.773 -0.505 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.652 1.050 2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.693 1.564 2.620 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.501 2.801 3.085 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.842 2.399 4.185 1.00 0.00 H new ATOM 302 N VAL A 25 -0.698 0.848 6.096 1.00 0.00 N ATOM 303 CA VAL A 25 -1.700 -0.072 6.619 1.00 0.00 C ATOM 304 C VAL A 25 -3.067 0.195 6.001 1.00 0.00 C ATOM 305 O VAL A 25 -3.307 1.261 5.435 1.00 0.00 O ATOM 306 CB VAL A 25 -1.812 0.034 8.152 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.440 -0.081 8.797 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.490 1.337 8.547 1.00 0.00 C ATOM 0 H VAL A 25 -1.033 1.801 5.954 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.376 -1.078 6.354 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.426 -0.792 8.513 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.539 -0.004 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.003 -1.043 8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.201 0.722 8.433 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.561 1.396 9.633 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.905 2.179 8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.490 1.372 8.116 1.00 0.00 H new ATOM 318 N ALA A 26 -3.962 -0.782 6.113 1.00 0.00 N ATOM 319 CA ALA A 26 -5.307 -0.652 5.566 1.00 0.00 C ATOM 320 C ALA A 26 -6.298 -0.223 6.644 1.00 0.00 C ATOM 321 O ALA A 26 -6.686 -1.022 7.496 1.00 0.00 O ATOM 322 CB ALA A 26 -5.748 -1.962 4.932 1.00 0.00 C ATOM 0 H ALA A 26 -3.780 -1.672 6.577 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.288 0.121 4.798 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.754 -1.850 4.528 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.061 -2.226 4.128 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.745 -2.750 5.685 1.00 0.00 H new ATOM 328 N SER A 27 -6.703 1.042 6.599 1.00 0.00 N ATOM 329 CA SER A 27 -7.645 1.577 7.575 1.00 0.00 C ATOM 330 C SER A 27 -8.934 0.760 7.591 1.00 0.00 C ATOM 331 O SER A 27 -9.614 0.672 8.614 1.00 0.00 O ATOM 332 CB SER A 27 -7.960 3.041 7.261 1.00 0.00 C ATOM 333 OG SER A 27 -9.161 3.451 7.893 1.00 0.00 O ATOM 0 H SER A 27 -6.394 1.715 5.898 1.00 0.00 H new ATOM 0 HA SER A 27 -7.184 1.515 8.561 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.136 3.673 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.049 3.174 6.183 1.00 0.00 H new ATOM 0 HG SER A 27 -9.340 4.390 7.678 1.00 0.00 H new ATOM 339 N LEU A 28 -9.263 0.164 6.450 1.00 0.00 N ATOM 340 CA LEU A 28 -10.470 -0.647 6.331 1.00 0.00 C ATOM 341 C LEU A 28 -10.367 -1.605 5.148 1.00 0.00 C ATOM 342 O LEU A 28 -9.679 -1.325 4.167 1.00 0.00 O ATOM 343 CB LEU A 28 -11.697 0.252 6.169 1.00 0.00 C ATOM 344 CG LEU A 28 -12.904 -0.380 5.474 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.166 0.416 5.767 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.667 -0.473 3.974 1.00 0.00 C ATOM 0 H LEU A 28 -8.711 0.227 5.594 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.576 -1.235 7.243 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.008 0.590 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.402 1.138 5.607 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.036 -1.389 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.014 -0.049 5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.345 0.431 6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.044 1.437 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.536 -0.925 3.496 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.508 0.526 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.787 -1.087 3.782 1.00 0.00 H new ATOM 358 N VAL A 29 -11.059 -2.736 5.248 1.00 0.00 N ATOM 359 CA VAL A 29 -11.049 -3.734 4.186 1.00 0.00 C ATOM 360 C VAL A 29 -12.466 -4.088 3.750 1.00 0.00 C ATOM 361 O VAL A 29 -13.183 -4.800 4.454 1.00 0.00 O ATOM 362 CB VAL A 29 -10.324 -5.019 4.630 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.555 -6.137 3.624 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.837 -4.755 4.814 1.00 0.00 C ATOM 0 H VAL A 29 -11.633 -2.983 6.054 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.513 -3.295 3.345 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.735 -5.335 5.589 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -10.035 -7.037 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.623 -6.342 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.172 -5.834 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.341 -5.673 5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.409 -4.415 3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.695 -3.988 5.575 1.00 0.00 H new ATOM 374 N SER A 30 -12.865 -3.586 2.586 1.00 0.00 N ATOM 375 CA SER A 30 -14.198 -3.846 2.057 1.00 0.00 C ATOM 376 C SER A 30 -14.194 -5.073 1.151 1.00 0.00 C ATOM 377 O SER A 30 -13.137 -5.543 0.726 1.00 0.00 O ATOM 378 CB SER A 30 -14.710 -2.629 1.285 1.00 0.00 C ATOM 379 OG SER A 30 -15.798 -2.978 0.447 1.00 0.00 O ATOM 0 H SER A 30 -12.283 -2.996 1.991 1.00 0.00 H new ATOM 0 HA SER A 30 -14.864 -4.040 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.021 -1.854 1.986 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.903 -2.210 0.683 1.00 0.00 H new ATOM 0 HG SER A 30 -15.973 -2.248 -0.183 1.00 0.00 H new ATOM 385 N THR A 31 -15.383 -5.589 0.857 1.00 0.00 N ATOM 386 CA THR A 31 -15.518 -6.761 0.002 1.00 0.00 C ATOM 387 C THR A 31 -15.339 -6.394 -1.467 1.00 0.00 C ATOM 388 O THR A 31 -15.091 -7.260 -2.307 1.00 0.00 O ATOM 389 CB THR A 31 -16.890 -7.436 0.187 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.933 -6.459 0.099 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.967 -8.147 1.530 1.00 0.00 C ATOM 0 H THR A 31 -16.267 -5.213 1.199 1.00 0.00 H new ATOM 0 HA THR A 31 -14.735 -7.459 0.297 1.00 0.00 H new ATOM 0 HB THR A 31 -17.016 -8.174 -0.605 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.802 -6.897 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.945 -8.616 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.191 -8.910 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.821 -7.425 2.333 1.00 0.00 H new ATOM 399 N ARG A 32 -15.465 -5.107 -1.770 1.00 0.00 N ATOM 400 CA ARG A 32 -15.317 -4.626 -3.138 1.00 0.00 C ATOM 401 C ARG A 32 -14.182 -3.611 -3.238 1.00 0.00 C ATOM 402 O ARG A 32 -13.842 -3.149 -4.327 1.00 0.00 O ATOM 403 CB ARG A 32 -16.623 -3.995 -3.624 1.00 0.00 C ATOM 404 CG ARG A 32 -17.741 -5.002 -3.841 1.00 0.00 C ATOM 405 CD ARG A 32 -18.881 -4.403 -4.651 1.00 0.00 C ATOM 406 NE ARG A 32 -18.687 -4.585 -6.087 1.00 0.00 N ATOM 407 CZ ARG A 32 -18.737 -5.767 -6.691 1.00 0.00 C ATOM 408 NH1 ARG A 32 -18.973 -6.866 -5.987 1.00 0.00 N ATOM 409 NH2 ARG A 32 -18.550 -5.852 -8.002 1.00 0.00 N ATOM 0 H ARG A 32 -15.669 -4.378 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.076 -5.479 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.951 -3.252 -2.897 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.436 -3.466 -4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.348 -5.878 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.118 -5.342 -2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.821 -4.866 -4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.964 -3.339 -4.428 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.503 -3.759 -6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -19.117 -6.805 -4.979 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.011 -7.772 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.368 -5.009 -8.547 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -18.589 -6.760 -8.465 1.00 0.00 H new ATOM 423 N PHE A 33 -13.600 -3.267 -2.094 1.00 0.00 N ATOM 424 CA PHE A 33 -12.504 -2.306 -2.052 1.00 0.00 C ATOM 425 C PHE A 33 -11.732 -2.418 -0.741 1.00 0.00 C ATOM 426 O PHE A 33 -12.052 -3.247 0.112 1.00 0.00 O ATOM 427 CB PHE A 33 -13.040 -0.883 -2.221 1.00 0.00 C ATOM 428 CG PHE A 33 -13.600 -0.298 -0.956 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.771 0.336 -0.044 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.954 -0.384 -0.678 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.283 0.875 1.121 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.472 0.154 0.485 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.635 0.783 1.387 1.00 0.00 C ATOM 0 H PHE A 33 -13.869 -3.640 -1.183 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.824 -2.532 -2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.237 -0.242 -2.584 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.817 -0.885 -2.986 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.713 0.410 -0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.613 -0.877 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.626 1.368 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.530 0.083 0.689 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.037 1.202 2.298 1.00 0.00 H new ATOM 443 N ILE A 34 -10.713 -1.579 -0.587 1.00 0.00 N ATOM 444 CA ILE A 34 -9.896 -1.583 0.619 1.00 0.00 C ATOM 445 C ILE A 34 -9.349 -0.191 0.918 1.00 0.00 C ATOM 446 O ILE A 34 -8.727 0.440 0.063 1.00 0.00 O ATOM 447 CB ILE A 34 -8.719 -2.570 0.499 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.235 -3.975 0.181 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.901 -2.577 1.781 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.141 -4.948 -0.201 1.00 0.00 C ATOM 0 H ILE A 34 -10.434 -0.888 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.543 -1.900 1.437 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.074 -2.247 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.768 -4.363 1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.956 -3.913 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.073 -3.279 1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.508 -1.577 1.968 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.534 -2.880 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.579 -5.923 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.623 -4.583 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.432 -5.040 0.622 1.00 0.00 H new ATOM 462 N LYS A 35 -9.582 0.282 2.137 1.00 0.00 N ATOM 463 CA LYS A 35 -9.111 1.598 2.552 1.00 0.00 C ATOM 464 C LYS A 35 -7.661 1.533 3.020 1.00 0.00 C ATOM 465 O LYS A 35 -7.330 0.794 3.949 1.00 0.00 O ATOM 466 CB LYS A 35 -9.996 2.150 3.671 1.00 0.00 C ATOM 467 CG LYS A 35 -9.829 3.642 3.898 1.00 0.00 C ATOM 468 CD LYS A 35 -10.793 4.447 3.043 1.00 0.00 C ATOM 469 CE LYS A 35 -10.477 5.934 3.095 1.00 0.00 C ATOM 470 NZ LYS A 35 -11.694 6.768 2.890 1.00 0.00 N ATOM 0 H LYS A 35 -10.095 -0.227 2.856 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.167 2.265 1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.039 1.942 3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.768 1.622 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.996 3.872 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.805 3.934 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.743 4.099 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.814 4.279 3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.029 6.176 4.059 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.739 6.175 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.436 7.775 2.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.108 6.556 1.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.389 6.557 3.634 1.00 0.00 H new ATOM 484 N LEU A 36 -6.800 2.312 2.374 1.00 0.00 N ATOM 485 CA LEU A 36 -5.384 2.345 2.726 1.00 0.00 C ATOM 486 C LEU A 36 -5.054 3.593 3.537 1.00 0.00 C ATOM 487 O LEU A 36 -5.748 4.607 3.449 1.00 0.00 O ATOM 488 CB LEU A 36 -4.523 2.301 1.462 1.00 0.00 C ATOM 489 CG LEU A 36 -4.120 0.910 0.973 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.237 0.218 2.000 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.354 0.070 0.676 1.00 0.00 C ATOM 0 H LEU A 36 -7.057 2.929 1.604 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.166 1.469 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.064 2.803 0.660 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.616 2.877 1.644 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.550 1.022 0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.960 -0.771 1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.336 0.810 2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.781 0.118 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.048 -0.917 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.951 -0.033 1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.949 0.558 -0.096 1.00 0.00 H new ATOM 503 N THR A 37 -3.987 3.514 4.327 1.00 0.00 N ATOM 504 CA THR A 37 -3.564 4.638 5.153 1.00 0.00 C ATOM 505 C THR A 37 -2.082 4.539 5.498 1.00 0.00 C ATOM 506 O THR A 37 -1.631 3.540 6.058 1.00 0.00 O ATOM 507 CB THR A 37 -4.378 4.714 6.459 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.395 3.434 7.101 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.804 5.167 6.181 1.00 0.00 C ATOM 0 H THR A 37 -3.401 2.684 4.412 1.00 0.00 H new ATOM 0 HA THR A 37 -3.740 5.542 4.570 1.00 0.00 H new ATOM 0 HB THR A 37 -3.903 5.443 7.116 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.923 2.782 6.542 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.360 5.213 7.117 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.789 6.154 5.719 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.286 4.458 5.507 1.00 0.00 H new ATOM 517 N TRP A 38 -1.330 5.580 5.160 1.00 0.00 N ATOM 518 CA TRP A 38 0.102 5.610 5.434 1.00 0.00 C ATOM 519 C TRP A 38 0.540 6.997 5.890 1.00 0.00 C ATOM 520 O TRP A 38 -0.206 7.968 5.760 1.00 0.00 O ATOM 521 CB TRP A 38 0.889 5.196 4.190 1.00 0.00 C ATOM 522 CG TRP A 38 0.648 6.088 3.010 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.274 7.270 2.735 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.287 5.870 1.948 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.784 7.800 1.565 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.174 6.960 1.063 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.208 4.860 1.658 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.948 7.066 -0.089 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.976 4.966 0.514 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.841 6.062 -0.349 1.00 0.00 C ATOM 0 H TRP A 38 -1.688 6.415 4.696 1.00 0.00 H new ATOM 0 HA TRP A 38 0.308 4.902 6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.953 5.197 4.425 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.622 4.173 3.924 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.041 7.722 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.085 8.677 1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.318 4.011 2.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.847 7.911 -0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.692 4.192 0.281 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.454 6.115 -1.237 1.00 0.00 H new ATOM 541 N ARG A 39 1.754 7.085 6.423 1.00 0.00 N ATOM 542 CA ARG A 39 2.291 8.354 6.899 1.00 0.00 C ATOM 543 C ARG A 39 3.264 8.947 5.884 1.00 0.00 C ATOM 544 O ARG A 39 3.539 8.345 4.846 1.00 0.00 O ATOM 545 CB ARG A 39 2.993 8.164 8.244 1.00 0.00 C ATOM 546 CG ARG A 39 2.063 7.709 9.358 1.00 0.00 C ATOM 547 CD ARG A 39 1.116 8.821 9.781 1.00 0.00 C ATOM 548 NE ARG A 39 0.578 8.601 11.121 1.00 0.00 N ATOM 549 CZ ARG A 39 -0.179 9.484 11.763 1.00 0.00 C ATOM 550 NH1 ARG A 39 -0.487 10.639 11.190 1.00 0.00 N ATOM 551 NH2 ARG A 39 -0.632 9.211 12.980 1.00 0.00 N ATOM 0 H ARG A 39 2.385 6.292 6.536 1.00 0.00 H new ATOM 0 HA ARG A 39 1.459 9.046 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.792 7.431 8.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.462 9.104 8.535 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.487 6.846 9.023 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.652 7.385 10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.642 9.775 9.754 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.295 8.889 9.067 1.00 0.00 H new ATOM 0 HE ARG A 39 0.795 7.721 11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.143 10.852 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.068 11.315 11.685 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.399 8.322 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.213 9.890 13.472 1.00 0.00 H new ATOM 565 N THR A 40 3.783 10.132 6.192 1.00 0.00 N ATOM 566 CA THR A 40 4.724 10.807 5.307 1.00 0.00 C ATOM 567 C THR A 40 6.070 10.093 5.289 1.00 0.00 C ATOM 568 O THR A 40 6.497 9.497 6.277 1.00 0.00 O ATOM 569 CB THR A 40 4.938 12.273 5.730 1.00 0.00 C ATOM 570 OG1 THR A 40 4.790 12.401 7.148 1.00 0.00 O ATOM 571 CG2 THR A 40 3.948 13.189 5.026 1.00 0.00 C ATOM 0 H THR A 40 3.567 10.644 7.048 1.00 0.00 H new ATOM 0 HA THR A 40 4.291 10.784 4.307 1.00 0.00 H new ATOM 0 HB THR A 40 5.948 12.567 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.929 13.335 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.118 14.219 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.084 13.112 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.931 12.894 5.285 1.00 0.00 H new ATOM 579 N PRO A 41 6.757 10.154 4.138 1.00 0.00 N ATOM 580 CA PRO A 41 8.067 9.520 3.964 1.00 0.00 C ATOM 581 C PRO A 41 9.160 10.216 4.768 1.00 0.00 C ATOM 582 O PRO A 41 9.089 11.419 5.017 1.00 0.00 O ATOM 583 CB PRO A 41 8.334 9.662 2.464 1.00 0.00 C ATOM 584 CG PRO A 41 7.534 10.849 2.048 1.00 0.00 C ATOM 585 CD PRO A 41 6.309 10.848 2.920 1.00 0.00 C ATOM 0 HA PRO A 41 8.070 8.488 4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.395 9.809 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.028 8.768 1.921 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.104 11.769 2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.263 10.787 0.994 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.969 11.861 3.137 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.478 10.328 2.444 1.00 0.00 H new ATOM 593 N ALA A 42 10.170 9.451 5.170 1.00 0.00 N ATOM 594 CA ALA A 42 11.280 9.996 5.943 1.00 0.00 C ATOM 595 C ALA A 42 11.960 11.138 5.197 1.00 0.00 C ATOM 596 O ALA A 42 12.554 12.026 5.809 1.00 0.00 O ATOM 597 CB ALA A 42 12.285 8.901 6.266 1.00 0.00 C ATOM 0 H ALA A 42 10.243 8.453 4.973 1.00 0.00 H new ATOM 0 HA ALA A 42 10.880 10.394 6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.108 9.322 6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.797 8.119 6.847 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.671 8.477 5.339 1.00 0.00 H new ATOM 603 N SER A 43 11.871 11.110 3.871 1.00 0.00 N ATOM 604 CA SER A 43 12.482 12.141 3.041 1.00 0.00 C ATOM 605 C SER A 43 11.588 13.375 2.960 1.00 0.00 C ATOM 606 O SER A 43 12.072 14.506 2.942 1.00 0.00 O ATOM 607 CB SER A 43 12.752 11.601 1.635 1.00 0.00 C ATOM 608 OG SER A 43 11.593 11.685 0.825 1.00 0.00 O ATOM 0 H SER A 43 11.381 10.384 3.348 1.00 0.00 H new ATOM 0 HA SER A 43 13.428 12.428 3.501 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.563 12.166 1.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.081 10.564 1.697 1.00 0.00 H new ATOM 0 HG SER A 43 11.846 11.965 -0.080 1.00 0.00 H new ATOM 614 N ASP A 44 10.280 13.147 2.913 1.00 0.00 N ATOM 615 CA ASP A 44 9.316 14.239 2.836 1.00 0.00 C ATOM 616 C ASP A 44 8.385 14.228 4.044 1.00 0.00 C ATOM 617 O ASP A 44 7.395 13.497 4.089 1.00 0.00 O ATOM 618 CB ASP A 44 8.500 14.137 1.546 1.00 0.00 C ATOM 619 CG ASP A 44 9.246 13.410 0.445 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.249 13.961 -0.056 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.828 12.290 0.083 1.00 0.00 O ATOM 0 H ASP A 44 9.863 12.216 2.927 1.00 0.00 H new ATOM 0 HA ASP A 44 9.868 15.179 2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.564 13.617 1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.239 15.139 1.204 1.00 0.00 H new ATOM 626 N PRO A 45 8.708 15.058 5.047 1.00 0.00 N ATOM 627 CA PRO A 45 7.913 15.162 6.275 1.00 0.00 C ATOM 628 C PRO A 45 6.559 15.822 6.035 1.00 0.00 C ATOM 629 O PRO A 45 5.712 15.865 6.927 1.00 0.00 O ATOM 630 CB PRO A 45 8.780 16.035 7.185 1.00 0.00 C ATOM 631 CG PRO A 45 9.619 16.839 6.253 1.00 0.00 C ATOM 632 CD PRO A 45 9.873 15.957 5.061 1.00 0.00 C ATOM 0 HA PRO A 45 7.681 14.183 6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.167 16.676 7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.396 15.427 7.847 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.107 17.755 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.555 17.135 6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.944 16.536 4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.806 15.403 5.162 1.00 0.00 H new ATOM 640 N HIS A 46 6.363 16.334 4.824 1.00 0.00 N ATOM 641 CA HIS A 46 5.110 16.992 4.467 1.00 0.00 C ATOM 642 C HIS A 46 4.422 16.261 3.318 1.00 0.00 C ATOM 643 O HIS A 46 3.201 16.317 3.176 1.00 0.00 O ATOM 644 CB HIS A 46 5.367 18.448 4.079 1.00 0.00 C ATOM 645 CG HIS A 46 5.862 19.291 5.214 1.00 0.00 C ATOM 646 ND1 HIS A 46 5.264 19.309 6.456 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.907 20.148 5.289 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.918 20.141 7.246 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.920 20.664 6.562 1.00 0.00 N ATOM 0 H HIS A 46 7.054 16.306 4.074 1.00 0.00 H new ATOM 0 HA HIS A 46 4.453 16.966 5.337 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.097 18.477 3.270 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.445 18.880 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.601 20.382 4.496 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.675 20.357 8.276 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.594 21.341 6.921 1.00 0.00 H new ATOM 658 N GLY A 47 5.215 15.576 2.498 1.00 0.00 N ATOM 659 CA GLY A 47 4.664 14.845 1.372 1.00 0.00 C ATOM 660 C GLY A 47 3.420 15.502 0.808 1.00 0.00 C ATOM 661 O GLY A 47 2.482 14.819 0.395 1.00 0.00 O ATOM 0 H GLY A 47 6.229 15.515 2.594 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.418 14.768 0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.425 13.829 1.685 1.00 0.00 H new ATOM 665 N ASP A 48 3.410 16.830 0.791 1.00 0.00 N ATOM 666 CA ASP A 48 2.271 17.580 0.273 1.00 0.00 C ATOM 667 C ASP A 48 2.521 18.025 -1.164 1.00 0.00 C ATOM 668 O ASP A 48 1.583 18.251 -1.927 1.00 0.00 O ATOM 669 CB ASP A 48 1.990 18.797 1.156 1.00 0.00 C ATOM 670 CG ASP A 48 0.534 19.217 1.116 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.122 18.985 0.080 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.051 19.780 2.122 1.00 0.00 O ATOM 0 H ASP A 48 4.178 17.410 1.130 1.00 0.00 H new ATOM 0 HA ASP A 48 1.400 16.924 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.271 18.569 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.614 19.630 0.832 1.00 0.00 H new ATOM 677 N ASN A 49 3.794 18.151 -1.526 1.00 0.00 N ATOM 678 CA ASN A 49 4.168 18.572 -2.871 1.00 0.00 C ATOM 679 C ASN A 49 4.471 17.365 -3.754 1.00 0.00 C ATOM 680 O ASN A 49 5.163 17.480 -4.766 1.00 0.00 O ATOM 681 CB ASN A 49 5.385 19.498 -2.819 1.00 0.00 C ATOM 682 CG ASN A 49 6.317 19.164 -1.670 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.744 17.908 -1.601 1.00 0.00 O flip ATOM 684 ND2 ASN A 49 6.648 20.024 -0.854 1.00 0.00 N flip ATOM 0 H ASN A 49 4.583 17.968 -0.907 1.00 0.00 H new ATOM 0 HA ASN A 49 3.326 19.114 -3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.932 19.428 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.049 20.530 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.296 20.977 -0.946 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.275 19.784 -0.086 1.00 0.00 H new ATOM 691 N LEU A 50 3.948 16.208 -3.364 1.00 0.00 N ATOM 692 CA LEU A 50 4.162 14.978 -4.120 1.00 0.00 C ATOM 693 C LEU A 50 2.971 14.036 -3.974 1.00 0.00 C ATOM 694 O LEU A 50 2.459 13.831 -2.873 1.00 0.00 O ATOM 695 CB LEU A 50 5.439 14.282 -3.648 1.00 0.00 C ATOM 696 CG LEU A 50 5.803 14.472 -2.175 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.187 13.371 -1.327 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.314 14.502 -1.999 1.00 0.00 C ATOM 0 H LEU A 50 3.373 16.095 -2.529 1.00 0.00 H new ATOM 0 HA LEU A 50 4.267 15.240 -5.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.339 13.214 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.270 14.640 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 50 5.400 15.428 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.457 13.523 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.102 13.397 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.560 12.403 -1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.555 14.638 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.740 13.562 -2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.731 15.327 -2.576 1.00 0.00 H new ATOM 710 N THR A 51 2.536 13.463 -5.092 1.00 0.00 N ATOM 711 CA THR A 51 1.407 12.541 -5.089 1.00 0.00 C ATOM 712 C THR A 51 1.833 11.152 -4.627 1.00 0.00 C ATOM 713 O THR A 51 3.024 10.846 -4.564 1.00 0.00 O ATOM 714 CB THR A 51 0.767 12.432 -6.486 1.00 0.00 C ATOM 715 OG1 THR A 51 0.943 13.659 -7.202 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.716 12.110 -6.378 1.00 0.00 C ATOM 0 H THR A 51 2.949 13.621 -6.011 1.00 0.00 H new ATOM 0 HA THR A 51 0.672 12.943 -4.392 1.00 0.00 H new ATOM 0 HB THR A 51 1.260 11.623 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.535 13.581 -8.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.146 12.038 -7.377 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.845 11.161 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.220 12.900 -5.822 1.00 0.00 H new ATOM 724 N TYR A 52 0.853 10.315 -4.307 1.00 0.00 N ATOM 725 CA TYR A 52 1.126 8.957 -3.849 1.00 0.00 C ATOM 726 C TYR A 52 0.443 7.931 -4.748 1.00 0.00 C ATOM 727 O TYR A 52 -0.759 8.012 -4.999 1.00 0.00 O ATOM 728 CB TYR A 52 0.657 8.779 -2.404 1.00 0.00 C ATOM 729 CG TYR A 52 1.490 9.540 -1.399 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.855 9.305 -1.278 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.914 10.494 -0.568 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.620 9.997 -0.360 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.673 11.192 0.351 1.00 0.00 C ATOM 734 CZ TYR A 52 3.025 10.940 0.452 1.00 0.00 C ATOM 735 OH TYR A 52 3.784 11.632 1.368 1.00 0.00 O ATOM 0 H TYR A 52 -0.138 10.552 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 52 2.203 8.795 -3.896 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.380 9.105 -2.325 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.678 7.719 -2.152 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.325 8.569 -1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.145 10.693 -0.642 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.679 9.801 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.210 11.932 0.987 1.00 0.00 H new ATOM 0 HH TYR A 52 3.351 11.595 2.246 1.00 0.00 H new ATOM 745 N SER A 53 1.220 6.966 -5.230 1.00 0.00 N ATOM 746 CA SER A 53 0.692 5.925 -6.103 1.00 0.00 C ATOM 747 C SER A 53 0.505 4.618 -5.339 1.00 0.00 C ATOM 748 O SER A 53 1.310 4.270 -4.475 1.00 0.00 O ATOM 749 CB SER A 53 1.628 5.704 -7.293 1.00 0.00 C ATOM 750 OG SER A 53 1.408 6.674 -8.302 1.00 0.00 O ATOM 0 H SER A 53 2.217 6.884 -5.031 1.00 0.00 H new ATOM 0 HA SER A 53 -0.280 6.253 -6.471 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.664 5.752 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.471 4.706 -7.703 1.00 0.00 H new ATOM 0 HG SER A 53 1.461 6.248 -9.183 1.00 0.00 H new ATOM 756 N VAL A 54 -0.563 3.896 -5.665 1.00 0.00 N ATOM 757 CA VAL A 54 -0.857 2.627 -5.011 1.00 0.00 C ATOM 758 C VAL A 54 -0.976 1.499 -6.029 1.00 0.00 C ATOM 759 O VAL A 54 -1.872 1.502 -6.874 1.00 0.00 O ATOM 760 CB VAL A 54 -2.159 2.705 -4.193 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.477 1.356 -3.564 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.055 3.786 -3.128 1.00 0.00 C ATOM 0 H VAL A 54 -1.239 4.169 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.026 2.418 -4.337 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.975 2.967 -4.867 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.401 1.431 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.597 0.608 -4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.662 1.061 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.984 3.827 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.228 3.556 -2.456 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.878 4.750 -3.604 1.00 0.00 H new ATOM 772 N PHE A 55 -0.067 0.534 -5.944 1.00 0.00 N ATOM 773 CA PHE A 55 -0.069 -0.602 -6.859 1.00 0.00 C ATOM 774 C PHE A 55 -0.652 -1.841 -6.186 1.00 0.00 C ATOM 775 O PHE A 55 -0.112 -2.335 -5.196 1.00 0.00 O ATOM 776 CB PHE A 55 1.351 -0.893 -7.348 1.00 0.00 C ATOM 777 CG PHE A 55 2.037 0.302 -7.945 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.643 1.247 -7.132 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.075 0.482 -9.318 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.275 2.348 -7.678 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.706 1.581 -9.869 1.00 0.00 C ATOM 782 CZ PHE A 55 3.306 2.516 -9.048 1.00 0.00 C ATOM 0 H PHE A 55 0.681 0.515 -5.251 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.694 -0.347 -7.714 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.945 -1.263 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.315 -1.690 -8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.621 1.121 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.606 -0.245 -9.965 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.744 3.077 -7.033 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.730 1.709 -10.941 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.798 3.376 -9.477 1.00 0.00 H new ATOM 792 N TYR A 56 -1.757 -2.338 -6.731 1.00 0.00 N ATOM 793 CA TYR A 56 -2.415 -3.518 -6.182 1.00 0.00 C ATOM 794 C TYR A 56 -2.422 -4.658 -7.196 1.00 0.00 C ATOM 795 O TYR A 56 -2.588 -4.438 -8.396 1.00 0.00 O ATOM 796 CB TYR A 56 -3.848 -3.181 -5.766 1.00 0.00 C ATOM 797 CG TYR A 56 -4.621 -2.420 -6.820 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.569 -1.033 -6.882 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.404 -3.088 -7.753 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.274 -0.334 -7.842 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.112 -2.398 -8.717 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.044 -1.020 -8.758 1.00 0.00 C ATOM 803 OH TYR A 56 -6.748 -0.328 -9.716 1.00 0.00 O ATOM 0 H TYR A 56 -2.216 -1.942 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.855 -3.840 -5.304 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.378 -4.105 -5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.822 -2.591 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.967 -0.492 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.460 -4.166 -7.724 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.223 0.744 -7.875 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.716 -2.934 -9.435 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.238 -0.960 -10.282 1.00 0.00 H new ATOM 813 N THR A 57 -2.242 -5.880 -6.703 1.00 0.00 N ATOM 814 CA THR A 57 -2.227 -7.056 -7.564 1.00 0.00 C ATOM 815 C THR A 57 -2.445 -8.331 -6.756 1.00 0.00 C ATOM 816 O THR A 57 -1.978 -8.449 -5.623 1.00 0.00 O ATOM 817 CB THR A 57 -0.899 -7.172 -8.335 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.822 -8.442 -8.990 1.00 0.00 O ATOM 819 CG2 THR A 57 0.287 -7.006 -7.397 1.00 0.00 C ATOM 0 H THR A 57 -2.105 -6.081 -5.712 1.00 0.00 H new ATOM 0 HA THR A 57 -3.043 -6.936 -8.277 1.00 0.00 H new ATOM 0 HB THR A 57 -0.866 -6.377 -9.080 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.025 -8.507 -9.479 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.214 -7.092 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.241 -6.026 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.257 -7.781 -6.632 1.00 0.00 H new ATOM 827 N LYS A 58 -3.158 -9.285 -7.346 1.00 0.00 N ATOM 828 CA LYS A 58 -3.437 -10.553 -6.683 1.00 0.00 C ATOM 829 C LYS A 58 -2.173 -11.398 -6.572 1.00 0.00 C ATOM 830 O LYS A 58 -1.419 -11.534 -7.535 1.00 0.00 O ATOM 831 CB LYS A 58 -4.515 -11.326 -7.447 1.00 0.00 C ATOM 832 CG LYS A 58 -5.292 -12.302 -6.582 1.00 0.00 C ATOM 833 CD LYS A 58 -5.794 -13.486 -7.391 1.00 0.00 C ATOM 834 CE LYS A 58 -6.950 -13.092 -8.297 1.00 0.00 C ATOM 835 NZ LYS A 58 -8.255 -13.132 -7.581 1.00 0.00 N ATOM 0 H LYS A 58 -3.553 -9.204 -8.283 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.798 -10.337 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.211 -10.616 -7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.047 -11.872 -8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.656 -12.657 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.137 -11.789 -6.123 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.979 -13.888 -7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.114 -14.280 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.780 -12.088 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.985 -13.765 -9.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.910 -13.760 -8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.110 -13.490 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.657 -12.174 -7.538 1.00 0.00 H new ATOM 924 N GLU A 64 -0.212 -5.479 -11.860 1.00 0.00 N ATOM 925 CA GLU A 64 -0.738 -4.558 -10.859 1.00 0.00 C ATOM 926 C GLU A 64 -1.225 -3.267 -11.510 1.00 0.00 C ATOM 927 O GLU A 64 -0.847 -2.947 -12.637 1.00 0.00 O ATOM 928 CB GLU A 64 0.333 -4.242 -9.812 1.00 0.00 C ATOM 929 CG GLU A 64 1.407 -3.290 -10.310 1.00 0.00 C ATOM 930 CD GLU A 64 2.128 -3.814 -11.536 1.00 0.00 C ATOM 931 OE1 GLU A 64 3.131 -4.540 -11.371 1.00 0.00 O ATOM 932 OE2 GLU A 64 1.689 -3.498 -12.662 1.00 0.00 O ATOM 0 HA GLU A 64 -1.585 -5.039 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.146 -3.809 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.803 -5.172 -9.493 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.953 -2.327 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.131 -3.116 -9.514 1.00 0.00 H new ATOM 939 N ARG A 65 -2.068 -2.531 -10.793 1.00 0.00 N ATOM 940 CA ARG A 65 -2.609 -1.276 -11.301 1.00 0.00 C ATOM 941 C ARG A 65 -2.292 -0.124 -10.352 1.00 0.00 C ATOM 942 O ARG A 65 -2.401 -0.261 -9.133 1.00 0.00 O ATOM 943 CB ARG A 65 -4.122 -1.390 -11.495 1.00 0.00 C ATOM 944 CG ARG A 65 -4.526 -2.407 -12.549 1.00 0.00 C ATOM 945 CD ARG A 65 -4.617 -1.773 -13.928 1.00 0.00 C ATOM 946 NE ARG A 65 -5.098 -2.717 -14.934 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.337 -3.196 -14.959 1.00 0.00 C ATOM 948 NH1 ARG A 65 -7.215 -2.821 -14.039 1.00 0.00 N ATOM 949 NH2 ARG A 65 -6.699 -4.051 -15.906 1.00 0.00 N ATOM 0 H ARG A 65 -2.391 -2.782 -9.859 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.141 -1.070 -12.264 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.582 -1.662 -10.545 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.519 -0.414 -11.774 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.801 -3.220 -12.568 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.489 -2.844 -12.284 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.286 -0.913 -13.888 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.636 -1.400 -14.221 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.447 -3.025 -15.656 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.940 -2.163 -13.310 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.166 -3.190 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.026 -4.341 -16.616 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.650 -4.418 -15.925 1.00 0.00 H new ATOM 963 N VAL A 66 -1.898 1.012 -10.919 1.00 0.00 N ATOM 964 CA VAL A 66 -1.566 2.189 -10.124 1.00 0.00 C ATOM 965 C VAL A 66 -2.758 3.132 -10.014 1.00 0.00 C ATOM 966 O VAL A 66 -3.407 3.447 -11.011 1.00 0.00 O ATOM 967 CB VAL A 66 -0.373 2.955 -10.727 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.841 3.886 -11.835 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.364 3.729 -9.645 1.00 0.00 C ATOM 0 H VAL A 66 -1.801 1.142 -11.926 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.295 1.833 -9.130 1.00 0.00 H new ATOM 0 HB VAL A 66 0.319 2.233 -11.160 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.015 4.418 -12.249 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.321 3.303 -12.621 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.554 4.604 -11.430 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.204 4.264 -10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.317 4.443 -9.180 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.734 3.036 -8.890 1.00 0.00 H new ATOM 979 N GLU A 67 -3.041 3.580 -8.795 1.00 0.00 N ATOM 980 CA GLU A 67 -4.157 4.488 -8.555 1.00 0.00 C ATOM 981 C GLU A 67 -3.682 5.762 -7.863 1.00 0.00 C ATOM 982 O GLU A 67 -3.373 5.757 -6.672 1.00 0.00 O ATOM 983 CB GLU A 67 -5.228 3.802 -7.704 1.00 0.00 C ATOM 984 CG GLU A 67 -6.633 4.320 -7.960 1.00 0.00 C ATOM 985 CD GLU A 67 -6.897 5.650 -7.282 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.988 5.673 -6.037 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.012 6.668 -7.996 1.00 0.00 O ATOM 0 H GLU A 67 -2.513 3.329 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.587 4.757 -9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.204 2.730 -7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.986 3.939 -6.650 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.787 4.427 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.357 3.586 -7.606 1.00 0.00 H new ATOM 994 N ASN A 68 -3.626 6.853 -8.620 1.00 0.00 N ATOM 995 CA ASN A 68 -3.187 8.136 -8.082 1.00 0.00 C ATOM 996 C ASN A 68 -4.237 8.718 -7.140 1.00 0.00 C ATOM 997 O ASN A 68 -5.399 8.884 -7.513 1.00 0.00 O ATOM 998 CB ASN A 68 -2.904 9.120 -9.218 1.00 0.00 C ATOM 999 CG ASN A 68 -2.150 8.477 -10.366 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -2.686 8.315 -11.462 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -0.899 8.106 -10.118 1.00 0.00 N ATOM 0 H ASN A 68 -3.879 6.875 -9.608 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.269 7.970 -7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.846 9.525 -9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.326 9.960 -8.832 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.342 7.667 -10.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.495 8.260 -9.194 1.00 0.00 H new ATOM 1008 N THR A 69 -3.820 9.026 -5.915 1.00 0.00 N ATOM 1009 CA THR A 69 -4.723 9.588 -4.919 1.00 0.00 C ATOM 1010 C THR A 69 -5.466 10.799 -5.473 1.00 0.00 C ATOM 1011 O THR A 69 -4.851 11.752 -5.950 1.00 0.00 O ATOM 1012 CB THR A 69 -3.965 10.004 -3.645 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.969 10.982 -3.964 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.307 8.799 -2.989 1.00 0.00 C ATOM 0 H THR A 69 -2.862 8.895 -5.590 1.00 0.00 H new ATOM 0 HA THR A 69 -5.441 8.808 -4.667 1.00 0.00 H new ATOM 0 HB THR A 69 -4.683 10.432 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.323 11.879 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.777 9.118 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.070 8.069 -2.720 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.601 8.346 -3.685 1.00 0.00 H new ATOM 1022 N SER A 70 -6.793 10.755 -5.405 1.00 0.00 N ATOM 1023 CA SER A 70 -7.621 11.848 -5.902 1.00 0.00 C ATOM 1024 C SER A 70 -6.931 13.192 -5.689 1.00 0.00 C ATOM 1025 O SER A 70 -7.013 14.085 -6.533 1.00 0.00 O ATOM 1026 CB SER A 70 -8.981 11.844 -5.203 1.00 0.00 C ATOM 1027 OG SER A 70 -9.728 10.690 -5.547 1.00 0.00 O ATOM 0 H SER A 70 -7.318 9.974 -5.011 1.00 0.00 H new ATOM 0 HA SER A 70 -7.770 11.701 -6.972 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.838 11.880 -4.123 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.539 12.738 -5.481 1.00 0.00 H new ATOM 0 HG SER A 70 -10.592 10.710 -5.086 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.250 13.328 -4.555 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.545 14.562 -4.230 1.00 0.00 C ATOM 1035 C HIS A 71 -4.123 14.268 -3.762 1.00 0.00 C ATOM 1036 O HIS A 71 -3.855 13.261 -3.106 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.301 15.337 -3.150 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.745 15.565 -3.476 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.188 16.636 -4.223 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.848 14.851 -3.152 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.502 16.572 -4.343 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.927 15.497 -3.703 1.00 0.00 N ATOM 0 H HIS A 71 -6.172 12.599 -3.846 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.493 15.170 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.231 14.793 -2.208 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.815 16.301 -2.998 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.875 13.942 -2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.123 17.278 -4.874 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.899 15.196 -3.630 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.189 15.167 -4.105 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.779 15.026 -3.730 1.00 0.00 C ATOM 1053 C PRO A 72 -1.554 15.218 -2.234 1.00 0.00 C ATOM 1054 O PRO A 72 -2.045 16.179 -1.642 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.087 16.138 -4.522 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.150 17.157 -4.750 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.436 16.391 -4.885 1.00 0.00 C ATOM 0 HA PRO A 72 -1.398 14.028 -3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.249 16.558 -3.966 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.688 15.764 -5.465 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.200 17.861 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.946 17.739 -5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.282 16.954 -4.491 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.661 16.165 -5.927 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.809 14.299 -1.628 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.533 14.387 -0.206 1.00 0.00 C ATOM 1067 C GLY A 73 -1.497 13.562 0.623 1.00 0.00 C ATOM 1068 O GLY A 73 -1.297 13.386 1.825 1.00 0.00 O ATOM 0 H GLY A 73 -0.392 13.495 -2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.486 14.050 -0.015 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.588 15.429 0.108 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.546 13.057 -0.018 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.545 12.249 0.670 1.00 0.00 C ATOM 1074 C GLU A 74 -2.897 11.049 1.355 1.00 0.00 C ATOM 1075 O GLU A 74 -2.355 10.162 0.695 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.614 11.771 -0.315 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.975 11.550 0.324 1.00 0.00 C ATOM 1078 CD GLU A 74 -7.022 11.096 -0.675 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.691 10.257 -1.540 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.170 11.578 -0.593 1.00 0.00 O ATOM 0 H GLU A 74 -2.726 13.193 -1.013 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.015 12.871 1.432 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.713 12.504 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.282 10.840 -0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.885 10.804 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.305 12.476 0.796 1.00 0.00 H new ATOM 1087 N MET A 75 -2.957 11.029 2.682 1.00 0.00 N ATOM 1088 CA MET A 75 -2.377 9.938 3.457 1.00 0.00 C ATOM 1089 C MET A 75 -3.296 8.720 3.454 1.00 0.00 C ATOM 1090 O MET A 75 -3.029 7.730 4.134 1.00 0.00 O ATOM 1091 CB MET A 75 -2.113 10.389 4.895 1.00 0.00 C ATOM 1092 CG MET A 75 -1.050 11.470 5.007 1.00 0.00 C ATOM 1093 SD MET A 75 0.607 10.795 5.229 1.00 0.00 S ATOM 1094 CE MET A 75 1.031 10.375 3.541 1.00 0.00 C ATOM 0 H MET A 75 -3.401 11.756 3.243 1.00 0.00 H new ATOM 0 HA MET A 75 -1.431 9.659 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.043 10.759 5.328 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.807 9.527 5.487 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.069 12.087 4.109 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.288 12.122 5.847 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.045 9.977 3.509 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.335 9.624 3.167 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.971 11.267 2.918 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.377 8.802 2.685 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.335 7.706 2.596 1.00 0.00 C ATOM 1106 C GLN A 76 -5.958 7.640 1.205 1.00 0.00 C ATOM 1107 O GLN A 76 -6.219 8.668 0.581 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.430 7.871 3.651 1.00 0.00 C ATOM 1109 CG GLN A 76 -5.962 8.590 4.906 1.00 0.00 C ATOM 1110 CD GLN A 76 -5.881 10.093 4.722 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -6.129 10.611 3.632 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -5.533 10.803 5.789 1.00 0.00 N ATOM 0 H GLN A 76 -4.611 9.615 2.115 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.801 6.774 2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.263 8.423 3.215 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.809 6.887 3.926 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.645 8.364 5.725 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.982 8.210 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.336 10.333 6.673 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.462 11.819 5.725 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.193 6.423 0.725 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.786 6.222 -0.592 1.00 0.00 C ATOM 1123 C VAL A 77 -7.712 5.011 -0.598 1.00 0.00 C ATOM 1124 O VAL A 77 -7.592 4.118 0.242 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.704 6.033 -1.671 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.018 4.685 -1.511 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.308 6.171 -3.060 1.00 0.00 C ATOM 0 H VAL A 77 -5.982 5.561 1.228 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.363 7.118 -0.820 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.952 6.812 -1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.257 4.570 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.550 4.629 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.755 3.888 -1.607 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.529 6.035 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.081 5.415 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.747 7.163 -3.169 1.00 0.00 H new ATOM 1137 N THR A 78 -8.637 4.985 -1.553 1.00 0.00 N ATOM 1138 CA THR A 78 -9.584 3.883 -1.670 1.00 0.00 C ATOM 1139 C THR A 78 -9.390 3.128 -2.979 1.00 0.00 C ATOM 1140 O THR A 78 -9.344 3.729 -4.053 1.00 0.00 O ATOM 1141 CB THR A 78 -11.039 4.383 -1.589 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.203 5.232 -0.448 1.00 0.00 O ATOM 1143 CG2 THR A 78 -12.008 3.214 -1.501 1.00 0.00 C ATOM 0 H THR A 78 -8.750 5.715 -2.257 1.00 0.00 H new ATOM 0 HA THR A 78 -9.391 3.210 -0.834 1.00 0.00 H new ATOM 0 HB THR A 78 -11.257 4.948 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.130 5.547 -0.405 1.00 0.00 H new ATOM 0 HG21 THR A 78 -13.029 3.591 -1.445 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.901 2.586 -2.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.789 2.626 -0.610 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.278 1.807 -2.884 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.091 0.970 -4.062 1.00 0.00 C ATOM 1153 C ILE A 79 -10.330 0.126 -4.339 1.00 0.00 C ATOM 1154 O ILE A 79 -10.489 -0.961 -3.784 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.874 0.038 -3.903 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.671 0.821 -3.373 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.539 -0.625 -5.231 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.221 1.934 -4.294 1.00 0.00 C ATOM 0 H ILE A 79 -9.314 1.294 -2.003 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.917 1.642 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.122 -0.741 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.923 1.244 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.841 0.133 -3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.677 -1.280 -5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.393 -1.211 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.306 0.140 -5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.365 2.446 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.937 1.515 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.036 2.644 -4.432 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.204 0.634 -5.201 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.430 -0.075 -5.553 1.00 0.00 C ATOM 1172 C GLN A 80 -12.198 -1.008 -6.737 1.00 0.00 C ATOM 1173 O GLN A 80 -11.111 -1.040 -7.311 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.543 0.921 -5.883 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.781 1.951 -4.790 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.834 2.973 -5.171 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.734 2.689 -5.962 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.728 4.171 -4.609 1.00 0.00 N ATOM 0 H GLN A 80 -11.087 1.533 -5.669 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.732 -0.675 -4.695 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.294 1.438 -6.810 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.468 0.373 -6.062 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.088 1.442 -3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.845 2.464 -4.569 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.966 4.364 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.408 4.899 -4.827 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.229 -1.766 -7.096 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.137 -2.701 -8.212 1.00 0.00 C ATOM 1189 C ASN A 81 -12.279 -3.907 -7.842 1.00 0.00 C ATOM 1190 O ASN A 81 -11.479 -4.384 -8.647 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.554 -2.004 -9.442 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.039 -0.574 -9.581 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.233 -0.326 -9.754 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.113 0.375 -9.507 1.00 0.00 N ATOM 0 H ASN A 81 -14.137 -1.751 -6.631 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.143 -3.051 -8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.466 -2.011 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.825 -2.565 -10.336 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.380 1.356 -9.594 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.135 0.123 -9.363 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.452 -4.396 -6.619 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.694 -5.547 -6.141 1.00 0.00 C ATOM 1203 C LEU A 82 -12.609 -6.747 -5.918 1.00 0.00 C ATOM 1204 O LEU A 82 -13.832 -6.611 -5.896 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.964 -5.199 -4.842 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.001 -4.014 -4.910 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.325 -3.797 -3.565 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.962 -4.233 -6.001 1.00 0.00 C ATOM 0 H LEU A 82 -13.110 -4.013 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.960 -5.809 -6.903 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.709 -4.992 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.406 -6.077 -4.516 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.574 -3.119 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.643 -2.949 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.081 -3.595 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.766 -4.691 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.285 -3.380 -6.035 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.394 -5.138 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.462 -4.338 -6.964 1.00 0.00 H new ATOM 1220 N MET A 83 -12.008 -7.920 -5.751 1.00 0.00 N ATOM 1221 CA MET A 83 -12.769 -9.144 -5.525 1.00 0.00 C ATOM 1222 C MET A 83 -12.737 -9.540 -4.053 1.00 0.00 C ATOM 1223 O MET A 83 -11.705 -9.464 -3.387 1.00 0.00 O ATOM 1224 CB MET A 83 -12.213 -10.281 -6.384 1.00 0.00 C ATOM 1225 CG MET A 83 -12.489 -11.663 -5.815 1.00 0.00 C ATOM 1226 SD MET A 83 -11.698 -12.976 -6.764 1.00 0.00 S ATOM 1227 CE MET A 83 -12.647 -12.917 -8.281 1.00 0.00 C ATOM 0 H MET A 83 -10.996 -8.049 -5.768 1.00 0.00 H new ATOM 0 HA MET A 83 -13.804 -8.957 -5.809 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.645 -10.215 -7.383 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.136 -10.150 -6.493 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.138 -11.704 -4.784 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.565 -11.834 -5.793 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.440 -13.807 -8.875 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.710 -12.879 -8.044 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.370 -12.029 -8.849 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.894 -9.974 -3.531 1.00 0.00 N ATOM 1238 CA PRO A 84 -14.024 -10.391 -2.132 1.00 0.00 C ATOM 1239 C PRO A 84 -13.293 -11.698 -1.846 1.00 0.00 C ATOM 1240 O PRO A 84 -13.098 -12.520 -2.741 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.534 -10.573 -1.955 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.043 -10.865 -3.324 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.165 -10.090 -4.266 1.00 0.00 C ATOM 0 HA PRO A 84 -13.585 -9.665 -1.448 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.757 -11.389 -1.267 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.996 -9.675 -1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.998 -11.933 -3.538 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.086 -10.564 -3.425 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.035 -10.611 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.587 -9.112 -4.496 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.889 -11.884 -0.594 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.181 -13.092 -0.190 1.00 0.00 C ATOM 1253 C ALA A 85 -10.976 -13.348 -1.089 1.00 0.00 C ATOM 1254 O ALA A 85 -10.706 -14.486 -1.475 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.122 -14.288 -0.213 1.00 0.00 C ATOM 0 H ALA A 85 -13.040 -11.213 0.159 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.819 -12.948 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.580 -15.183 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.949 -14.113 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.512 -14.425 -1.222 1.00 0.00 H new ATOM 1261 N THR A 86 -10.253 -12.283 -1.419 1.00 0.00 N ATOM 1262 CA THR A 86 -9.078 -12.391 -2.274 1.00 0.00 C ATOM 1263 C THR A 86 -7.943 -11.511 -1.763 1.00 0.00 C ATOM 1264 O THR A 86 -8.131 -10.320 -1.515 1.00 0.00 O ATOM 1265 CB THR A 86 -9.402 -11.999 -3.728 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.116 -13.059 -4.373 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.129 -11.694 -4.502 1.00 0.00 C ATOM 0 H THR A 86 -10.461 -11.335 -1.107 1.00 0.00 H new ATOM 0 HA THR A 86 -8.764 -13.435 -2.249 1.00 0.00 H new ATOM 0 HB THR A 86 -10.021 -11.102 -3.710 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.276 -12.823 -5.311 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.383 -11.420 -5.526 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.602 -10.868 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.488 -12.576 -4.511 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.763 -12.104 -1.608 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.597 -11.373 -1.128 1.00 0.00 C ATOM 1277 C VAL A 87 -5.033 -10.464 -2.214 1.00 0.00 C ATOM 1278 O VAL A 87 -5.050 -10.807 -3.396 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.490 -12.332 -0.651 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.259 -11.552 -0.216 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -5.000 -13.213 0.480 1.00 0.00 C ATOM 0 H VAL A 87 -6.590 -13.089 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.929 -10.766 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.207 -12.976 -1.484 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.488 -12.246 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.883 -10.968 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.523 -10.882 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.205 -13.884 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.311 -12.587 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.850 -13.799 0.130 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.534 -9.303 -1.806 1.00 0.00 N ATOM 1292 CA TYR A 88 -3.966 -8.342 -2.744 1.00 0.00 C ATOM 1293 C TYR A 88 -2.743 -7.654 -2.146 1.00 0.00 C ATOM 1294 O TYR A 88 -2.747 -7.260 -0.980 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.013 -7.298 -3.134 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.009 -7.791 -4.159 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.647 -7.939 -5.493 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.311 -8.112 -3.794 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.554 -8.389 -6.433 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.224 -8.564 -4.727 1.00 0.00 C ATOM 1301 CZ TYR A 88 -7.841 -8.700 -6.045 1.00 0.00 C ATOM 1302 OH TYR A 88 -8.746 -9.150 -6.978 1.00 0.00 O ATOM 0 H TYR A 88 -4.511 -9.004 -0.831 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.654 -8.885 -3.636 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.551 -6.984 -2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.506 -6.417 -3.527 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.640 -7.698 -5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.614 -8.006 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.257 -8.497 -7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.232 -8.809 -4.426 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.272 -9.633 -7.687 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.697 -7.513 -2.955 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.468 -6.871 -2.507 1.00 0.00 C ATOM 1314 C ILE A 89 -0.446 -5.395 -2.892 1.00 0.00 C ATOM 1315 O ILE A 89 -0.178 -5.046 -4.042 1.00 0.00 O ATOM 1316 CB ILE A 89 0.775 -7.562 -3.098 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.499 -9.049 -3.325 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.973 -7.374 -2.179 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.176 -9.805 -2.055 1.00 0.00 C ATOM 0 H ILE A 89 -1.677 -7.835 -3.923 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.443 -6.961 -1.421 1.00 0.00 H new ATOM 0 HB ILE A 89 1.004 -7.103 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.333 -9.154 -4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.370 -9.504 -3.797 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.844 -7.868 -2.610 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.180 -6.310 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.755 -7.809 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.008 -10.853 -2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.016 -9.732 -1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.713 -9.376 -1.592 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.729 -4.533 -1.921 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.742 -3.094 -2.157 1.00 0.00 C ATOM 1333 C PHE A 90 0.639 -2.491 -1.917 1.00 0.00 C ATOM 1334 O PHE A 90 1.349 -2.888 -0.993 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.772 -2.416 -1.251 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.188 -2.819 -1.547 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.739 -3.944 -0.957 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.967 -2.073 -2.416 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.043 -4.318 -1.226 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.271 -2.441 -2.689 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.809 -3.566 -2.095 1.00 0.00 C ATOM 0 H PHE A 90 -0.952 -4.806 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.017 -2.924 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.544 -2.656 -0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.681 -1.335 -1.356 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.143 -4.537 -0.279 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.551 -1.194 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.462 -5.196 -0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.869 -1.849 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.827 -3.857 -2.310 1.00 0.00 H new ATOM 1351 N ARG A 91 1.013 -1.530 -2.755 1.00 0.00 N ATOM 1352 CA ARG A 91 2.309 -0.873 -2.635 1.00 0.00 C ATOM 1353 C ARG A 91 2.166 0.640 -2.769 1.00 0.00 C ATOM 1354 O ARG A 91 1.674 1.141 -3.780 1.00 0.00 O ATOM 1355 CB ARG A 91 3.273 -1.401 -3.700 1.00 0.00 C ATOM 1356 CG ARG A 91 3.893 -2.743 -3.347 1.00 0.00 C ATOM 1357 CD ARG A 91 4.544 -3.391 -4.559 1.00 0.00 C ATOM 1358 NE ARG A 91 5.461 -4.463 -4.180 1.00 0.00 N ATOM 1359 CZ ARG A 91 6.109 -5.221 -5.058 1.00 0.00 C ATOM 1360 NH1 ARG A 91 5.941 -5.025 -6.359 1.00 0.00 N ATOM 1361 NH2 ARG A 91 6.926 -6.177 -4.636 1.00 0.00 N ATOM 0 H ARG A 91 0.437 -1.189 -3.525 1.00 0.00 H new ATOM 0 HA ARG A 91 2.711 -1.097 -1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.740 -1.494 -4.646 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.068 -0.671 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.637 -2.606 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.126 -3.406 -2.947 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.771 -3.790 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.085 -2.635 -5.127 1.00 0.00 H new ATOM 0 HE ARG A 91 5.612 -4.639 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.313 -4.291 -6.687 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.440 -5.608 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.057 -6.331 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.423 -6.758 -5.311 1.00 0.00 H new ATOM 1375 N VAL A 92 2.601 1.364 -1.742 1.00 0.00 N ATOM 1376 CA VAL A 92 2.522 2.820 -1.745 1.00 0.00 C ATOM 1377 C VAL A 92 3.848 3.441 -2.168 1.00 0.00 C ATOM 1378 O VAL A 92 4.917 2.967 -1.785 1.00 0.00 O ATOM 1379 CB VAL A 92 2.132 3.363 -0.358 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.588 4.779 -0.472 1.00 0.00 C ATOM 1381 CG2 VAL A 92 1.117 2.446 0.308 1.00 0.00 C ATOM 0 H VAL A 92 3.012 0.966 -0.898 1.00 0.00 H new ATOM 0 HA VAL A 92 1.750 3.094 -2.464 1.00 0.00 H new ATOM 0 HB VAL A 92 3.026 3.391 0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.318 5.146 0.518 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.350 5.428 -0.904 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.706 4.779 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.853 2.846 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.222 2.383 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.547 1.452 0.426 1.00 0.00 H new ATOM 1391 N MET A 93 3.771 4.505 -2.960 1.00 0.00 N ATOM 1392 CA MET A 93 4.966 5.193 -3.433 1.00 0.00 C ATOM 1393 C MET A 93 4.712 6.691 -3.573 1.00 0.00 C ATOM 1394 O MET A 93 3.603 7.114 -3.896 1.00 0.00 O ATOM 1395 CB MET A 93 5.416 4.613 -4.776 1.00 0.00 C ATOM 1396 CG MET A 93 6.747 5.165 -5.260 1.00 0.00 C ATOM 1397 SD MET A 93 7.588 4.049 -6.400 1.00 0.00 S ATOM 1398 CE MET A 93 6.287 3.739 -7.592 1.00 0.00 C ATOM 0 H MET A 93 2.894 4.909 -3.288 1.00 0.00 H new ATOM 0 HA MET A 93 5.756 5.044 -2.697 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.492 3.529 -4.687 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.652 4.819 -5.526 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.581 6.123 -5.752 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.391 5.354 -4.401 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.693 3.812 -8.601 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.881 2.740 -7.435 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.495 4.477 -7.466 1.00 0.00 H new ATOM 1408 N ALA A 94 5.747 7.488 -3.327 1.00 0.00 N ATOM 1409 CA ALA A 94 5.636 8.938 -3.428 1.00 0.00 C ATOM 1410 C ALA A 94 6.130 9.434 -4.782 1.00 0.00 C ATOM 1411 O ALA A 94 7.007 8.825 -5.394 1.00 0.00 O ATOM 1412 CB ALA A 94 6.414 9.606 -2.303 1.00 0.00 C ATOM 0 H ALA A 94 6.672 7.154 -3.056 1.00 0.00 H new ATOM 0 HA ALA A 94 4.583 9.204 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.323 10.689 -2.390 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.012 9.284 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.465 9.324 -2.370 1.00 0.00 H new ATOM 1418 N GLN A 95 5.560 10.542 -5.245 1.00 0.00 N ATOM 1419 CA GLN A 95 5.942 11.118 -6.529 1.00 0.00 C ATOM 1420 C GLN A 95 6.023 12.638 -6.441 1.00 0.00 C ATOM 1421 O GLN A 95 5.071 13.297 -6.026 1.00 0.00 O ATOM 1422 CB GLN A 95 4.943 10.710 -7.613 1.00 0.00 C ATOM 1423 CG GLN A 95 5.336 9.446 -8.360 1.00 0.00 C ATOM 1424 CD GLN A 95 4.136 8.649 -8.831 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.097 9.214 -9.174 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.273 7.328 -8.850 1.00 0.00 N ATOM 0 H GLN A 95 4.833 11.058 -4.750 1.00 0.00 H new ATOM 0 HA GLN A 95 6.928 10.735 -6.792 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.964 10.562 -7.156 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.841 11.527 -8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.950 9.713 -9.220 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.950 8.821 -7.711 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.152 6.902 -8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.499 6.739 -9.158 1.00 0.00 H new ATOM 1435 N ASN A 96 7.167 13.189 -6.834 1.00 0.00 N ATOM 1436 CA ASN A 96 7.373 14.632 -6.798 1.00 0.00 C ATOM 1437 C ASN A 96 7.754 15.162 -8.178 1.00 0.00 C ATOM 1438 O ASN A 96 7.762 14.419 -9.160 1.00 0.00 O ATOM 1439 CB ASN A 96 8.462 14.988 -5.784 1.00 0.00 C ATOM 1440 CG ASN A 96 9.846 14.589 -6.258 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.677 15.441 -6.570 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.098 13.286 -6.313 1.00 0.00 N ATOM 0 H ASN A 96 7.966 12.658 -7.181 1.00 0.00 H new ATOM 0 HA ASN A 96 6.437 15.100 -6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.441 16.061 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.249 14.493 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.012 12.956 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.378 12.615 -6.044 1.00 0.00 H new ATOM 1449 N LYS A 97 8.069 16.451 -8.244 1.00 0.00 N ATOM 1450 CA LYS A 97 8.453 17.081 -9.501 1.00 0.00 C ATOM 1451 C LYS A 97 9.439 16.206 -10.270 1.00 0.00 C ATOM 1452 O LYS A 97 9.583 16.337 -11.486 1.00 0.00 O ATOM 1453 CB LYS A 97 9.073 18.455 -9.238 1.00 0.00 C ATOM 1454 CG LYS A 97 10.373 18.397 -8.455 1.00 0.00 C ATOM 1455 CD LYS A 97 10.694 19.733 -7.806 1.00 0.00 C ATOM 1456 CE LYS A 97 11.597 19.561 -6.594 1.00 0.00 C ATOM 1457 NZ LYS A 97 12.255 20.840 -6.207 1.00 0.00 N ATOM 0 H LYS A 97 8.066 17.080 -7.441 1.00 0.00 H new ATOM 0 HA LYS A 97 7.555 17.204 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.255 18.950 -10.192 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.357 19.069 -8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.302 17.626 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.187 18.110 -9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.179 20.385 -8.533 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.769 20.224 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.011 19.185 -5.755 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.358 18.812 -6.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.862 20.681 -5.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.834 21.186 -6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.529 21.547 -5.975 1.00 0.00 H new ATOM 1471 N HIS A 98 10.114 15.313 -9.553 1.00 0.00 N ATOM 1472 CA HIS A 98 11.084 14.415 -10.169 1.00 0.00 C ATOM 1473 C HIS A 98 10.388 13.213 -10.801 1.00 0.00 C ATOM 1474 O HIS A 98 10.452 13.013 -12.013 1.00 0.00 O ATOM 1475 CB HIS A 98 12.103 13.942 -9.131 1.00 0.00 C ATOM 1476 CG HIS A 98 12.818 15.061 -8.440 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.180 15.215 -7.145 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.245 16.199 -9.093 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.813 16.429 -7.040 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.840 17.002 -8.230 1.00 0.00 N flip ATOM 0 H HIS A 98 10.007 15.192 -8.546 1.00 0.00 H new ATOM 0 HA HIS A 98 11.604 14.965 -10.954 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.593 13.332 -8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.836 13.301 -9.620 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.113 16.401 -10.146 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.222 16.847 -6.132 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.251 17.910 -8.446 1.00 0.00 H new ATOM 1489 N GLY A 99 9.723 12.416 -9.969 1.00 0.00 N ATOM 1490 CA GLY A 99 9.026 11.244 -10.465 1.00 0.00 C ATOM 1491 C GLY A 99 8.772 10.218 -9.378 1.00 0.00 C ATOM 1492 O GLY A 99 8.579 10.571 -8.215 1.00 0.00 O ATOM 0 H GLY A 99 9.655 12.561 -8.962 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.075 11.548 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.612 10.787 -11.262 1.00 0.00 H new ATOM 1496 N SER A 100 8.770 8.944 -9.758 1.00 0.00 N ATOM 1497 CA SER A 100 8.532 7.864 -8.808 1.00 0.00 C ATOM 1498 C SER A 100 9.829 7.449 -8.121 1.00 0.00 C ATOM 1499 O SER A 100 10.756 6.958 -8.763 1.00 0.00 O ATOM 1500 CB SER A 100 7.910 6.660 -9.518 1.00 0.00 C ATOM 1501 OG SER A 100 8.783 6.146 -10.510 1.00 0.00 O ATOM 0 H SER A 100 8.930 8.635 -10.717 1.00 0.00 H new ATOM 0 HA SER A 100 7.839 8.227 -8.049 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.683 5.881 -8.790 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.965 6.952 -9.976 1.00 0.00 H new ATOM 0 HG SER A 100 9.712 6.309 -10.244 1.00 0.00 H new ATOM 1507 N GLY A 101 9.887 7.652 -6.808 1.00 0.00 N ATOM 1508 CA GLY A 101 11.074 7.294 -6.053 1.00 0.00 C ATOM 1509 C GLY A 101 11.136 5.813 -5.736 1.00 0.00 C ATOM 1510 O GLY A 101 11.246 4.984 -6.638 1.00 0.00 O ATOM 0 H GLY A 101 9.133 8.058 -6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.961 7.578 -6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.094 7.862 -5.123 1.00 0.00 H new ATOM 1514 N GLU A 102 11.066 5.481 -4.451 1.00 0.00 N ATOM 1515 CA GLU A 102 11.117 4.090 -4.018 1.00 0.00 C ATOM 1516 C GLU A 102 9.720 3.569 -3.694 1.00 0.00 C ATOM 1517 O GLU A 102 8.882 4.298 -3.162 1.00 0.00 O ATOM 1518 CB GLU A 102 12.024 3.946 -2.794 1.00 0.00 C ATOM 1519 CG GLU A 102 12.361 2.504 -2.453 1.00 0.00 C ATOM 1520 CD GLU A 102 13.536 1.975 -3.252 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.415 1.881 -4.492 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.575 1.653 -2.639 1.00 0.00 O ATOM 0 H GLU A 102 10.974 6.156 -3.692 1.00 0.00 H new ATOM 0 HA GLU A 102 11.526 3.497 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.949 4.494 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.538 4.410 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 102 12.587 2.429 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 102 11.489 1.877 -2.638 1.00 0.00 H new ATOM 1529 N SER A 103 9.476 2.303 -4.018 1.00 0.00 N ATOM 1530 CA SER A 103 8.179 1.686 -3.765 1.00 0.00 C ATOM 1531 C SER A 103 8.132 1.074 -2.369 1.00 0.00 C ATOM 1532 O SER A 103 8.944 0.214 -2.028 1.00 0.00 O ATOM 1533 CB SER A 103 7.889 0.612 -4.815 1.00 0.00 C ATOM 1534 OG SER A 103 9.002 -0.250 -4.985 1.00 0.00 O ATOM 0 H SER A 103 10.159 1.685 -4.456 1.00 0.00 H new ATOM 0 HA SER A 103 7.416 2.462 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 103 7.018 0.031 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.643 1.085 -5.766 1.00 0.00 H new ATOM 0 HG SER A 103 9.313 -0.559 -4.109 1.00 0.00 H new ATOM 1540 N SER A 104 7.175 1.524 -1.564 1.00 0.00 N ATOM 1541 CA SER A 104 7.022 1.024 -0.203 1.00 0.00 C ATOM 1542 C SER A 104 6.946 -0.500 -0.189 1.00 0.00 C ATOM 1543 O SER A 104 6.818 -1.135 -1.235 1.00 0.00 O ATOM 1544 CB SER A 104 5.767 1.615 0.443 1.00 0.00 C ATOM 1545 OG SER A 104 4.593 1.104 -0.164 1.00 0.00 O ATOM 0 H SER A 104 6.494 2.234 -1.831 1.00 0.00 H new ATOM 0 HA SER A 104 7.896 1.332 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.759 1.384 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.784 2.701 0.352 1.00 0.00 H new ATOM 0 HG SER A 104 4.618 1.283 -1.127 1.00 0.00 H new ATOM 1551 N ALA A 105 7.026 -1.079 1.005 1.00 0.00 N ATOM 1552 CA ALA A 105 6.964 -2.527 1.157 1.00 0.00 C ATOM 1553 C ALA A 105 5.597 -3.064 0.748 1.00 0.00 C ATOM 1554 O ALA A 105 4.570 -2.403 0.907 1.00 0.00 O ATOM 1555 CB ALA A 105 7.280 -2.921 2.592 1.00 0.00 C ATOM 0 H ALA A 105 7.134 -0.567 1.881 1.00 0.00 H new ATOM 0 HA ALA A 105 7.711 -2.969 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.230 -4.005 2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.282 -2.579 2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.555 -2.462 3.264 1.00 0.00 H new ATOM 1561 N PRO A 106 5.580 -4.292 0.207 1.00 0.00 N ATOM 1562 CA PRO A 106 4.344 -4.944 -0.237 1.00 0.00 C ATOM 1563 C PRO A 106 3.446 -5.339 0.930 1.00 0.00 C ATOM 1564 O PRO A 106 3.814 -6.179 1.753 1.00 0.00 O ATOM 1565 CB PRO A 106 4.845 -6.190 -0.972 1.00 0.00 C ATOM 1566 CG PRO A 106 6.178 -6.474 -0.370 1.00 0.00 C ATOM 1567 CD PRO A 106 6.765 -5.137 -0.013 1.00 0.00 C ATOM 0 HA PRO A 106 3.734 -4.285 -0.854 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.163 -7.030 -0.838 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.925 -6.012 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.081 -7.106 0.513 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.818 -7.006 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.387 -5.197 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.393 -4.747 -0.814 1.00 0.00 H new ATOM 1575 N LEU A 107 2.268 -4.730 0.997 1.00 0.00 N ATOM 1576 CA LEU A 107 1.316 -5.019 2.064 1.00 0.00 C ATOM 1577 C LEU A 107 0.315 -6.084 1.628 1.00 0.00 C ATOM 1578 O LEU A 107 -0.326 -5.957 0.585 1.00 0.00 O ATOM 1579 CB LEU A 107 0.575 -3.744 2.472 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.513 -3.911 3.533 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.097 -4.315 4.866 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.317 -2.627 3.680 1.00 0.00 C ATOM 0 H LEU A 107 1.949 -4.032 0.325 1.00 0.00 H new ATOM 0 HA LEU A 107 1.873 -5.399 2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.306 -3.025 2.840 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.122 -3.310 1.581 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.188 -4.704 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.693 -4.429 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.627 -5.261 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.795 -3.545 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.087 -2.765 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.654 -1.815 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.787 -2.381 2.728 1.00 0.00 H new ATOM 1594 N ARG A 108 0.187 -7.133 2.433 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.737 -8.220 2.131 1.00 0.00 C ATOM 1596 C ARG A 108 -2.096 -7.975 2.779 1.00 0.00 C ATOM 1597 O ARG A 108 -2.244 -8.079 3.996 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.163 -9.554 2.613 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.952 -10.763 2.138 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.081 -12.008 2.078 1.00 0.00 C ATOM 1601 NE ARG A 108 0.926 -11.921 1.024 1.00 0.00 N ATOM 1602 CZ ARG A 108 1.898 -12.812 0.861 1.00 0.00 C ATOM 1603 NH1 ARG A 108 1.994 -13.851 1.679 1.00 0.00 N ATOM 1604 NH2 ARG A 108 2.777 -12.664 -0.122 1.00 0.00 N ATOM 0 H ARG A 108 0.711 -7.254 3.300 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.872 -8.259 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.867 -9.643 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.134 -9.555 3.703 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.792 -10.937 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.369 -10.562 1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.412 -12.152 3.039 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -0.709 -12.882 1.908 1.00 0.00 H new ATOM 0 HE ARG A 108 0.881 -11.133 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 108 1.320 -13.968 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 108 2.741 -14.533 1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 108 2.707 -11.866 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 108 3.523 -13.348 -0.246 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.088 -7.648 1.956 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.435 -7.388 2.448 1.00 0.00 C ATOM 1620 C VAL A 109 -5.443 -8.345 1.822 1.00 0.00 C ATOM 1621 O VAL A 109 -5.450 -8.547 0.608 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.870 -5.939 2.155 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.274 -5.686 2.683 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.880 -4.954 2.758 1.00 0.00 C ATOM 0 H VAL A 109 -2.983 -7.557 0.945 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.413 -7.542 3.527 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.882 -5.793 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.564 -4.658 2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.973 -6.369 2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.292 -5.849 3.761 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.202 -3.936 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.835 -5.099 3.837 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.893 -5.121 2.328 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.293 -8.932 2.659 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.305 -9.869 2.187 1.00 0.00 C ATOM 1636 C GLU A 110 -8.709 -9.320 2.427 1.00 0.00 C ATOM 1637 O GLU A 110 -9.050 -8.920 3.540 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.148 -11.220 2.887 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.130 -12.274 2.404 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.925 -13.616 3.080 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -7.645 -13.631 4.297 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.044 -14.651 2.392 1.00 0.00 O ATOM 0 H GLU A 110 -6.301 -8.775 3.667 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.165 -10.005 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.132 -11.584 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.277 -11.081 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.147 -11.930 2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -8.026 -12.395 1.326 1.00 0.00 H new ATOM 1649 N THR A 111 -9.519 -9.303 1.373 1.00 0.00 N ATOM 1650 CA THR A 111 -10.885 -8.803 1.467 1.00 0.00 C ATOM 1651 C THR A 111 -11.770 -9.763 2.254 1.00 0.00 C ATOM 1652 O THR A 111 -11.328 -10.838 2.656 1.00 0.00 O ATOM 1653 CB THR A 111 -11.500 -8.582 0.072 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.096 -9.633 -0.813 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.074 -7.238 -0.501 1.00 0.00 C ATOM 0 H THR A 111 -9.253 -9.630 0.444 1.00 0.00 H new ATOM 0 HA THR A 111 -10.836 -7.848 1.990 1.00 0.00 H new ATOM 0 HB THR A 111 -12.585 -8.589 0.172 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.366 -9.411 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.521 -7.105 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.408 -6.438 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.988 -7.207 -0.588 1.00 0.00 H new ATOM 1663 N GLN A 112 -13.020 -9.367 2.468 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.967 -10.194 3.207 1.00 0.00 C ATOM 1665 C GLN A 112 -14.921 -10.910 2.258 1.00 0.00 C ATOM 1666 O GLN A 112 -15.353 -10.363 1.243 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.760 -9.338 4.196 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.011 -8.102 4.668 1.00 0.00 C ATOM 1669 CD GLN A 112 -14.606 -7.504 5.928 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -15.782 -7.710 6.231 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -13.796 -6.760 6.671 1.00 0.00 N ATOM 0 H GLN A 112 -13.401 -8.479 2.141 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.401 -10.945 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.695 -9.029 3.728 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.022 -9.946 5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.968 -8.362 4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.019 -7.353 3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.828 -6.615 6.382 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.141 -6.333 7.531 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.258 -12.165 2.592 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.165 -12.983 1.782 1.00 0.00 C ATOM 1682 C PRO A 113 -17.603 -12.479 1.832 1.00 0.00 C ATOM 1683 O PRO A 113 -18.299 -12.662 2.830 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.061 -14.369 2.424 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.653 -14.104 3.832 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.781 -12.880 3.787 1.00 0.00 C ATOM 0 HA PRO A 113 -15.896 -12.966 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.013 -14.898 2.380 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.328 -14.990 1.909 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.524 -13.939 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.112 -14.954 4.248 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.890 -12.275 4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.726 -13.141 3.705 1.00 0.00 H new