USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=25 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= -6.09! C(o=-11!,f=-8.7!) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -4.86! K(o=-11!,f=-7.1) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -133:sc= 0.582 (180deg=-0.0814) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0.537 USER MOD Set 3.1: A 52 TYR OH : rot -150:sc= -0.0686 USER MOD Set 3.2: A 75 MET CE :methyl -178:sc= -1.06 (180deg=-1.08) USER MOD Set 4.1: A 53 SER OG : rot 102:sc= 0.222 USER MOD Set 4.2: A 93 MET CE :methyl 135:sc= -6.66! (180deg=-5.6!) USER MOD Set 4.3: A 95 GLN : amide:sc= -6.04! C(o=-12!,f=-9.8!) USER MOD Set 4.4: A 100 SER OG : rot 180:sc= 0.713 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 -144:sc= 0.797 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.956 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.25) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.1 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.26) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 81 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.08) USER MOD Single : A 83 MET CE :methyl 158:sc= -0.0797 (180deg=-0.457) USER MOD Single : A 86 THR OG1 : rot 69:sc= 0.354 USER MOD Single : A 88 TYR OH : rot 30:sc= 0.273 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -67:sc= 1.25 USER MOD Single : A 111 THR OG1 : rot -163:sc= 1.4 USER MOD Single : A 112 GLN : amide:sc= -0.486 K(o=-0.49,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.791 11.008 -5.821 1.00 0.00 N ATOM 183 CA LEU A 17 14.392 10.620 -5.682 1.00 0.00 C ATOM 184 C LEU A 17 14.018 10.445 -4.214 1.00 0.00 C ATOM 185 O LEU A 17 14.854 10.120 -3.370 1.00 0.00 O ATOM 186 CB LEU A 17 14.124 9.322 -6.446 1.00 0.00 C ATOM 187 CG LEU A 17 14.048 9.443 -7.969 1.00 0.00 C ATOM 188 CD1 LEU A 17 13.970 8.066 -8.610 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.853 10.292 -8.377 1.00 0.00 C ATOM 0 HA LEU A 17 13.777 11.416 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.909 8.608 -6.197 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.185 8.900 -6.088 1.00 0.00 H new ATOM 0 HG LEU A 17 14.955 9.934 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.917 8.172 -9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.857 7.490 -8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.081 7.548 -8.252 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.814 10.368 -9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.936 9.829 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.951 11.289 -7.947 1.00 0.00 H new ATOM 201 N PRO A 18 12.733 10.663 -3.900 1.00 0.00 N ATOM 202 CA PRO A 18 12.218 10.532 -2.533 1.00 0.00 C ATOM 203 C PRO A 18 12.190 9.083 -2.060 1.00 0.00 C ATOM 204 O PRO A 18 12.777 8.203 -2.690 1.00 0.00 O ATOM 205 CB PRO A 18 10.796 11.090 -2.635 1.00 0.00 C ATOM 206 CG PRO A 18 10.414 10.896 -4.061 1.00 0.00 C ATOM 207 CD PRO A 18 11.682 11.053 -4.855 1.00 0.00 C ATOM 0 HA PRO A 18 12.844 11.054 -1.810 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.115 10.562 -1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.763 12.143 -2.356 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.976 9.910 -4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.668 11.629 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.685 10.414 -5.738 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.815 12.078 -5.202 1.00 0.00 H new ATOM 215 N SER A 19 11.503 8.842 -0.948 1.00 0.00 N ATOM 216 CA SER A 19 11.401 7.499 -0.389 1.00 0.00 C ATOM 217 C SER A 19 9.946 7.137 -0.107 1.00 0.00 C ATOM 218 O SER A 19 9.146 7.990 0.276 1.00 0.00 O ATOM 219 CB SER A 19 12.223 7.394 0.896 1.00 0.00 C ATOM 220 OG SER A 19 12.408 6.041 1.275 1.00 0.00 O ATOM 0 H SER A 19 11.009 9.559 -0.417 1.00 0.00 H new ATOM 0 HA SER A 19 11.797 6.796 -1.122 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.193 7.870 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.720 7.934 1.698 1.00 0.00 H new ATOM 0 HG SER A 19 12.938 6.001 2.098 1.00 0.00 H new ATOM 226 N ALA A 20 9.610 5.865 -0.298 1.00 0.00 N ATOM 227 CA ALA A 20 8.253 5.389 -0.062 1.00 0.00 C ATOM 228 C ALA A 20 7.771 5.774 1.332 1.00 0.00 C ATOM 229 O ALA A 20 8.560 5.950 2.261 1.00 0.00 O ATOM 230 CB ALA A 20 8.183 3.881 -0.250 1.00 0.00 C ATOM 0 H ALA A 20 10.260 5.146 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 20 7.595 5.865 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.164 3.539 -0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.477 3.627 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.858 3.395 0.454 1.00 0.00 H new ATOM 236 N PRO A 21 6.445 5.908 1.485 1.00 0.00 N ATOM 237 CA PRO A 21 5.829 6.274 2.764 1.00 0.00 C ATOM 238 C PRO A 21 5.933 5.158 3.797 1.00 0.00 C ATOM 239 O PRO A 21 6.200 4.005 3.456 1.00 0.00 O ATOM 240 CB PRO A 21 4.365 6.524 2.393 1.00 0.00 C ATOM 241 CG PRO A 21 4.140 5.709 1.166 1.00 0.00 C ATOM 242 CD PRO A 21 5.446 5.713 0.421 1.00 0.00 C ATOM 0 HA PRO A 21 6.320 7.133 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.695 6.221 3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.179 7.582 2.205 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.840 4.693 1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.342 6.133 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.606 4.777 -0.114 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.485 6.513 -0.318 1.00 0.00 H new ATOM 250 N ARG A 22 5.720 5.507 5.062 1.00 0.00 N ATOM 251 CA ARG A 22 5.791 4.534 6.146 1.00 0.00 C ATOM 252 C ARG A 22 4.415 4.309 6.766 1.00 0.00 C ATOM 253 O ARG A 22 3.436 4.944 6.374 1.00 0.00 O ATOM 254 CB ARG A 22 6.775 5.005 7.218 1.00 0.00 C ATOM 255 CG ARG A 22 7.993 5.719 6.656 1.00 0.00 C ATOM 256 CD ARG A 22 9.073 4.733 6.237 1.00 0.00 C ATOM 257 NE ARG A 22 8.773 4.108 4.951 1.00 0.00 N ATOM 258 CZ ARG A 22 9.437 3.063 4.470 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.433 2.529 5.165 1.00 0.00 N ATOM 260 NH2 ARG A 22 9.106 2.550 3.293 1.00 0.00 N ATOM 0 H ARG A 22 5.497 6.456 5.361 1.00 0.00 H new ATOM 0 HA ARG A 22 6.142 3.589 5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.257 5.674 7.905 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.105 4.144 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.698 6.324 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.393 6.402 7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.031 5.249 6.175 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.176 3.961 7.000 1.00 0.00 H new ATOM 0 HE ARG A 22 8.012 4.495 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.690 2.921 6.071 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.941 1.727 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.341 2.958 2.756 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.617 1.748 2.925 1.00 0.00 H new ATOM 274 N ASP A 23 4.350 3.402 7.733 1.00 0.00 N ATOM 275 CA ASP A 23 3.094 3.093 8.408 1.00 0.00 C ATOM 276 C ASP A 23 2.017 2.702 7.400 1.00 0.00 C ATOM 277 O ASP A 23 0.851 3.065 7.551 1.00 0.00 O ATOM 278 CB ASP A 23 2.626 4.292 9.234 1.00 0.00 C ATOM 279 CG ASP A 23 3.443 4.479 10.497 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.668 4.244 10.451 1.00 0.00 O ATOM 281 OD2 ASP A 23 2.857 4.860 11.532 1.00 0.00 O ATOM 0 H ASP A 23 5.152 2.867 8.068 1.00 0.00 H new ATOM 0 HA ASP A 23 3.266 2.248 9.074 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.689 5.195 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.577 4.159 9.499 1.00 0.00 H new ATOM 286 N VAL A 24 2.417 1.961 6.371 1.00 0.00 N ATOM 287 CA VAL A 24 1.487 1.521 5.339 1.00 0.00 C ATOM 288 C VAL A 24 0.519 0.476 5.880 1.00 0.00 C ATOM 289 O VAL A 24 0.865 -0.697 6.014 1.00 0.00 O ATOM 290 CB VAL A 24 2.232 0.935 4.125 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.250 0.308 3.147 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.066 2.008 3.442 1.00 0.00 C ATOM 0 H VAL A 24 3.379 1.653 6.231 1.00 0.00 H new ATOM 0 HA VAL A 24 0.927 2.401 5.022 1.00 0.00 H new ATOM 0 HB VAL A 24 2.906 0.154 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.795 -0.101 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.702 -0.492 3.645 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.549 1.067 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.585 1.576 2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.415 2.813 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.796 2.405 4.147 1.00 0.00 H new ATOM 302 N VAL A 25 -0.699 0.910 6.191 1.00 0.00 N ATOM 303 CA VAL A 25 -1.720 0.012 6.717 1.00 0.00 C ATOM 304 C VAL A 25 -3.041 0.188 5.977 1.00 0.00 C ATOM 305 O VAL A 25 -3.170 1.056 5.114 1.00 0.00 O ATOM 306 CB VAL A 25 -1.952 0.246 8.222 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.631 0.225 8.976 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.684 1.560 8.449 1.00 0.00 C ATOM 0 H VAL A 25 -1.002 1.878 6.088 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.355 -1.004 6.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.574 -0.562 8.606 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.815 0.392 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.149 -0.743 8.839 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.019 1.011 8.593 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.840 1.710 9.517 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.089 2.382 8.050 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.649 1.531 7.942 1.00 0.00 H new ATOM 318 N ALA A 26 -4.020 -0.642 6.320 1.00 0.00 N ATOM 319 CA ALA A 26 -5.333 -0.577 5.690 1.00 0.00 C ATOM 320 C ALA A 26 -6.394 -0.109 6.680 1.00 0.00 C ATOM 321 O ALA A 26 -6.841 -0.875 7.534 1.00 0.00 O ATOM 322 CB ALA A 26 -5.709 -1.933 5.112 1.00 0.00 C ATOM 0 H ALA A 26 -3.929 -1.368 7.031 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.284 0.150 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.692 -1.870 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.971 -2.228 4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.734 -2.675 5.910 1.00 0.00 H new ATOM 328 N SER A 27 -6.793 1.153 6.560 1.00 0.00 N ATOM 329 CA SER A 27 -7.800 1.725 7.447 1.00 0.00 C ATOM 330 C SER A 27 -9.065 0.873 7.453 1.00 0.00 C ATOM 331 O SER A 27 -9.783 0.814 8.452 1.00 0.00 O ATOM 332 CB SER A 27 -8.135 3.155 7.019 1.00 0.00 C ATOM 333 OG SER A 27 -9.380 3.569 7.553 1.00 0.00 O ATOM 0 H SER A 27 -6.434 1.799 5.857 1.00 0.00 H new ATOM 0 HA SER A 27 -7.391 1.743 8.457 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.349 3.832 7.354 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.165 3.215 5.931 1.00 0.00 H new ATOM 0 HG SER A 27 -9.570 4.487 7.266 1.00 0.00 H new ATOM 339 N LEU A 28 -9.334 0.216 6.330 1.00 0.00 N ATOM 340 CA LEU A 28 -10.513 -0.633 6.204 1.00 0.00 C ATOM 341 C LEU A 28 -10.353 -1.619 5.051 1.00 0.00 C ATOM 342 O LEU A 28 -9.627 -1.357 4.092 1.00 0.00 O ATOM 343 CB LEU A 28 -11.762 0.224 5.988 1.00 0.00 C ATOM 344 CG LEU A 28 -12.948 -0.474 5.321 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.259 0.135 5.791 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.832 -0.392 3.806 1.00 0.00 C ATOM 0 H LEU A 28 -8.751 0.255 5.494 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.624 -1.199 7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.088 0.606 6.956 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.486 1.087 5.382 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.936 -1.525 5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.091 -0.374 5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.345 0.023 6.872 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.282 1.194 5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.684 -0.894 3.348 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.818 0.654 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.910 -0.877 3.485 1.00 0.00 H new ATOM 358 N VAL A 29 -11.039 -2.753 5.149 1.00 0.00 N ATOM 359 CA VAL A 29 -10.976 -3.777 4.113 1.00 0.00 C ATOM 360 C VAL A 29 -12.371 -4.148 3.621 1.00 0.00 C ATOM 361 O VAL A 29 -13.079 -4.926 4.259 1.00 0.00 O ATOM 362 CB VAL A 29 -10.269 -5.048 4.622 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.442 -6.188 3.631 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.796 -4.770 4.878 1.00 0.00 C ATOM 0 H VAL A 29 -11.645 -2.986 5.936 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.402 -3.356 3.287 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.728 -5.347 5.565 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.936 -7.077 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.503 -6.401 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.011 -5.904 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.311 -5.678 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.320 -4.447 3.952 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.699 -3.986 5.629 1.00 0.00 H new ATOM 374 N SER A 30 -12.759 -3.584 2.481 1.00 0.00 N ATOM 375 CA SER A 30 -14.071 -3.853 1.904 1.00 0.00 C ATOM 376 C SER A 30 -14.037 -5.108 1.038 1.00 0.00 C ATOM 377 O SER A 30 -12.967 -5.597 0.673 1.00 0.00 O ATOM 378 CB SER A 30 -14.540 -2.657 1.072 1.00 0.00 C ATOM 379 OG SER A 30 -15.442 -3.064 0.058 1.00 0.00 O ATOM 0 H SER A 30 -12.184 -2.939 1.939 1.00 0.00 H new ATOM 0 HA SER A 30 -14.774 -4.016 2.721 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.023 -1.926 1.720 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.679 -2.164 0.621 1.00 0.00 H new ATOM 0 HG SER A 30 -15.295 -2.524 -0.746 1.00 0.00 H new ATOM 385 N THR A 31 -15.217 -5.626 0.711 1.00 0.00 N ATOM 386 CA THR A 31 -15.324 -6.825 -0.111 1.00 0.00 C ATOM 387 C THR A 31 -15.060 -6.510 -1.579 1.00 0.00 C ATOM 388 O THR A 31 -14.663 -7.384 -2.350 1.00 0.00 O ATOM 389 CB THR A 31 -16.715 -7.474 0.021 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.727 -6.557 -0.409 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.981 -7.894 1.459 1.00 0.00 C ATOM 0 H THR A 31 -16.112 -5.234 1.003 1.00 0.00 H new ATOM 0 HA THR A 31 -14.569 -7.524 0.249 1.00 0.00 H new ATOM 0 HB THR A 31 -16.739 -8.362 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.608 -6.978 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.969 -8.350 1.528 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.226 -8.615 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.939 -7.019 2.107 1.00 0.00 H new ATOM 399 N ARG A 32 -15.283 -5.256 -1.960 1.00 0.00 N ATOM 400 CA ARG A 32 -15.069 -4.826 -3.336 1.00 0.00 C ATOM 401 C ARG A 32 -13.949 -3.793 -3.416 1.00 0.00 C ATOM 402 O ARG A 32 -13.590 -3.334 -4.500 1.00 0.00 O ATOM 403 CB ARG A 32 -16.359 -4.242 -3.916 1.00 0.00 C ATOM 404 CG ARG A 32 -17.518 -5.224 -3.934 1.00 0.00 C ATOM 405 CD ARG A 32 -18.768 -4.601 -4.537 1.00 0.00 C ATOM 406 NE ARG A 32 -19.313 -3.542 -3.692 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.511 -2.998 -3.876 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.285 -3.412 -4.870 1.00 0.00 N ATOM 409 NH2 ARG A 32 -20.937 -2.039 -3.065 1.00 0.00 N ATOM 0 H ARG A 32 -15.612 -4.520 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.777 -5.698 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.645 -3.366 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.168 -3.900 -4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.238 -6.108 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.730 -5.557 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.532 -4.195 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.523 -5.373 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.743 -3.201 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.961 -4.150 -5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.204 -2.993 -5.009 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -20.345 -1.718 -2.299 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -21.857 -1.622 -3.207 1.00 0.00 H new ATOM 423 N PHE A 33 -13.402 -3.431 -2.260 1.00 0.00 N ATOM 424 CA PHE A 33 -12.324 -2.451 -2.198 1.00 0.00 C ATOM 425 C PHE A 33 -11.575 -2.549 -0.872 1.00 0.00 C ATOM 426 O PHE A 33 -11.903 -3.377 -0.022 1.00 0.00 O ATOM 427 CB PHE A 33 -12.881 -1.037 -2.379 1.00 0.00 C ATOM 428 CG PHE A 33 -13.348 -0.408 -1.098 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.463 0.287 -0.289 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.671 -0.512 -0.702 1.00 0.00 C ATOM 431 CE1 PHE A 33 -12.889 0.868 0.890 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.104 0.067 0.476 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.211 0.757 1.274 1.00 0.00 C ATOM 0 H PHE A 33 -13.688 -3.802 -1.354 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.625 -2.665 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.112 -0.406 -2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.713 -1.070 -3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.428 0.376 -0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.373 -1.052 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.189 1.408 1.510 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.139 -0.020 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.546 1.208 2.196 1.00 0.00 H new ATOM 443 N ILE A 34 -10.569 -1.698 -0.704 1.00 0.00 N ATOM 444 CA ILE A 34 -9.774 -1.688 0.518 1.00 0.00 C ATOM 445 C ILE A 34 -9.221 -0.295 0.802 1.00 0.00 C ATOM 446 O ILE A 34 -8.584 0.319 -0.053 1.00 0.00 O ATOM 447 CB ILE A 34 -8.604 -2.685 0.436 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.123 -4.089 0.119 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.817 -2.687 1.738 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.024 -5.090 -0.162 1.00 0.00 C ATOM 0 H ILE A 34 -10.285 -1.007 -1.398 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.438 -1.986 1.329 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.937 -2.374 -0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.721 -4.444 0.958 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.785 -4.036 -0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.993 -3.397 1.664 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.420 -1.689 1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.473 -2.976 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.465 -6.063 -0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.439 -4.757 -1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.375 -5.172 0.710 1.00 0.00 H new ATOM 462 N LYS A 35 -9.468 0.197 2.011 1.00 0.00 N ATOM 463 CA LYS A 35 -8.993 1.516 2.412 1.00 0.00 C ATOM 464 C LYS A 35 -7.552 1.449 2.907 1.00 0.00 C ATOM 465 O LYS A 35 -7.227 0.662 3.798 1.00 0.00 O ATOM 466 CB LYS A 35 -9.893 2.094 3.507 1.00 0.00 C ATOM 467 CG LYS A 35 -9.562 3.531 3.872 1.00 0.00 C ATOM 468 CD LYS A 35 -10.235 4.515 2.930 1.00 0.00 C ATOM 469 CE LYS A 35 -9.523 5.859 2.927 1.00 0.00 C ATOM 470 NZ LYS A 35 -9.808 6.635 1.688 1.00 0.00 N ATOM 0 H LYS A 35 -9.995 -0.298 2.731 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.029 2.168 1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.931 2.042 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.810 1.473 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.880 3.730 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.482 3.676 3.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.245 4.105 1.920 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.274 4.653 3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.834 6.437 3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.448 5.701 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.919 7.011 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.255 6.013 0.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.449 7.423 1.912 1.00 0.00 H new ATOM 484 N LEU A 36 -6.693 2.278 2.327 1.00 0.00 N ATOM 485 CA LEU A 36 -5.285 2.313 2.710 1.00 0.00 C ATOM 486 C LEU A 36 -4.965 3.585 3.489 1.00 0.00 C ATOM 487 O LEU A 36 -5.642 4.603 3.344 1.00 0.00 O ATOM 488 CB LEU A 36 -4.396 2.224 1.469 1.00 0.00 C ATOM 489 CG LEU A 36 -4.020 0.814 1.012 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.154 0.128 2.058 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.270 -0.006 0.730 1.00 0.00 C ATOM 0 H LEU A 36 -6.946 2.936 1.589 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.087 1.455 3.353 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.904 2.728 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.478 2.778 1.664 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.446 0.892 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.896 -0.874 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.242 0.705 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.703 0.061 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.983 -1.006 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.871 -0.076 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.852 0.477 -0.055 1.00 0.00 H new ATOM 503 N THR A 37 -3.926 3.520 4.316 1.00 0.00 N ATOM 504 CA THR A 37 -3.515 4.666 5.118 1.00 0.00 C ATOM 505 C THR A 37 -2.038 4.578 5.485 1.00 0.00 C ATOM 506 O THR A 37 -1.584 3.573 6.033 1.00 0.00 O ATOM 507 CB THR A 37 -4.348 4.777 6.409 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.367 3.517 7.089 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.772 5.213 6.098 1.00 0.00 C ATOM 0 H THR A 37 -3.354 2.686 4.448 1.00 0.00 H new ATOM 0 HA THR A 37 -3.683 5.554 4.509 1.00 0.00 H new ATOM 0 HB THR A 37 -3.887 5.528 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.897 3.596 7.909 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.341 5.284 7.025 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.756 6.186 5.606 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.241 4.482 5.440 1.00 0.00 H new ATOM 517 N TRP A 38 -1.294 5.635 5.182 1.00 0.00 N ATOM 518 CA TRP A 38 0.133 5.677 5.482 1.00 0.00 C ATOM 519 C TRP A 38 0.548 7.062 5.965 1.00 0.00 C ATOM 520 O TRP A 38 -0.229 8.014 5.888 1.00 0.00 O ATOM 521 CB TRP A 38 0.946 5.289 4.246 1.00 0.00 C ATOM 522 CG TRP A 38 0.664 6.153 3.054 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.250 7.349 2.752 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.276 5.888 2.007 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.731 7.844 1.580 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.206 6.966 1.103 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.167 4.845 1.744 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.995 7.028 -0.043 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.950 4.909 0.607 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.860 5.993 -0.275 1.00 0.00 C ATOM 0 H TRP A 38 -1.655 6.475 4.729 1.00 0.00 H new ATOM 0 HA TRP A 38 0.332 4.961 6.279 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.008 5.348 4.485 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.734 4.251 3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.010 7.834 3.347 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.000 8.723 1.137 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.243 4.004 2.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.927 7.863 -0.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.644 4.109 0.395 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.485 6.013 -1.155 1.00 0.00 H new ATOM 541 N ARG A 39 1.776 7.168 6.461 1.00 0.00 N ATOM 542 CA ARG A 39 2.292 8.438 6.958 1.00 0.00 C ATOM 543 C ARG A 39 3.299 9.035 5.978 1.00 0.00 C ATOM 544 O ARG A 39 3.564 8.467 4.918 1.00 0.00 O ATOM 545 CB ARG A 39 2.949 8.246 8.326 1.00 0.00 C ATOM 546 CG ARG A 39 4.366 7.703 8.251 1.00 0.00 C ATOM 547 CD ARG A 39 5.082 7.828 9.587 1.00 0.00 C ATOM 548 NE ARG A 39 6.533 7.862 9.429 1.00 0.00 N ATOM 549 CZ ARG A 39 7.374 8.148 10.418 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.909 8.424 11.629 1.00 0.00 N ATOM 551 NH2 ARG A 39 8.682 8.159 10.196 1.00 0.00 N ATOM 0 H ARG A 39 2.432 6.390 6.530 1.00 0.00 H new ATOM 0 HA ARG A 39 1.454 9.128 7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.963 9.202 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.339 7.565 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.340 6.656 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.924 8.243 7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.751 8.735 10.092 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.806 6.989 10.226 1.00 0.00 H new ATOM 0 HE ARG A 39 6.923 7.655 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.904 8.417 11.803 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.556 8.643 12.386 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.043 7.948 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.326 8.379 10.956 1.00 0.00 H new ATOM 565 N THR A 40 3.857 10.186 6.340 1.00 0.00 N ATOM 566 CA THR A 40 4.832 10.862 5.493 1.00 0.00 C ATOM 567 C THR A 40 6.158 10.109 5.474 1.00 0.00 C ATOM 568 O THR A 40 6.590 9.538 6.475 1.00 0.00 O ATOM 569 CB THR A 40 5.082 12.306 5.966 1.00 0.00 C ATOM 570 OG1 THR A 40 5.055 12.365 7.397 1.00 0.00 O ATOM 571 CG2 THR A 40 4.035 13.251 5.395 1.00 0.00 C ATOM 0 H THR A 40 3.650 10.670 7.214 1.00 0.00 H new ATOM 0 HA THR A 40 4.415 10.885 4.486 1.00 0.00 H new ATOM 0 HB THR A 40 6.064 12.617 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.217 13.286 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.232 14.265 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.078 13.226 4.306 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.044 12.940 5.727 1.00 0.00 H new ATOM 579 N PRO A 41 6.821 10.108 4.308 1.00 0.00 N ATOM 580 CA PRO A 41 8.109 9.430 4.130 1.00 0.00 C ATOM 581 C PRO A 41 9.238 10.124 4.884 1.00 0.00 C ATOM 582 O PRO A 41 9.179 11.327 5.139 1.00 0.00 O ATOM 583 CB PRO A 41 8.346 9.509 2.620 1.00 0.00 C ATOM 584 CG PRO A 41 7.571 10.701 2.177 1.00 0.00 C ATOM 585 CD PRO A 41 6.365 10.768 3.073 1.00 0.00 C ATOM 0 HA PRO A 41 8.091 8.412 4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.406 9.618 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.003 8.605 2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.169 11.608 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.276 10.608 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.058 11.797 3.257 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.510 10.254 2.635 1.00 0.00 H new ATOM 593 N ALA A 42 10.265 9.359 5.237 1.00 0.00 N ATOM 594 CA ALA A 42 11.409 9.902 5.960 1.00 0.00 C ATOM 595 C ALA A 42 12.062 11.037 5.179 1.00 0.00 C ATOM 596 O ALA A 42 12.584 11.986 5.765 1.00 0.00 O ATOM 597 CB ALA A 42 12.423 8.803 6.245 1.00 0.00 C ATOM 0 H ALA A 42 10.329 8.361 5.034 1.00 0.00 H new ATOM 0 HA ALA A 42 11.051 10.306 6.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.272 9.222 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.956 8.025 6.850 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.768 8.373 5.304 1.00 0.00 H new ATOM 603 N SER A 43 12.031 10.934 3.855 1.00 0.00 N ATOM 604 CA SER A 43 12.624 11.951 2.994 1.00 0.00 C ATOM 605 C SER A 43 11.739 13.192 2.930 1.00 0.00 C ATOM 606 O SER A 43 12.229 14.320 2.984 1.00 0.00 O ATOM 607 CB SER A 43 12.843 11.393 1.586 1.00 0.00 C ATOM 608 OG SER A 43 13.831 10.377 1.588 1.00 0.00 O ATOM 0 H SER A 43 11.601 10.156 3.354 1.00 0.00 H new ATOM 0 HA SER A 43 13.587 12.235 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 43 11.906 10.992 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.145 12.197 0.916 1.00 0.00 H new ATOM 0 HG SER A 43 13.951 10.036 0.677 1.00 0.00 H new ATOM 614 N ASP A 44 10.434 12.974 2.815 1.00 0.00 N ATOM 615 CA ASP A 44 9.479 14.074 2.744 1.00 0.00 C ATOM 616 C ASP A 44 8.593 14.105 3.985 1.00 0.00 C ATOM 617 O ASP A 44 7.580 13.411 4.072 1.00 0.00 O ATOM 618 CB ASP A 44 8.614 13.947 1.488 1.00 0.00 C ATOM 619 CG ASP A 44 9.314 13.189 0.378 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.336 13.693 -0.132 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.840 12.090 0.019 1.00 0.00 O ATOM 0 H ASP A 44 10.013 12.046 2.769 1.00 0.00 H new ATOM 0 HA ASP A 44 10.040 15.007 2.696 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.684 13.438 1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.347 14.942 1.132 1.00 0.00 H new ATOM 626 N PRO A 45 8.982 14.928 4.971 1.00 0.00 N ATOM 627 CA PRO A 45 8.238 15.068 6.225 1.00 0.00 C ATOM 628 C PRO A 45 6.901 15.776 6.030 1.00 0.00 C ATOM 629 O PRO A 45 6.055 15.785 6.925 1.00 0.00 O ATOM 630 CB PRO A 45 9.168 15.915 7.097 1.00 0.00 C ATOM 631 CG PRO A 45 10.002 16.681 6.129 1.00 0.00 C ATOM 632 CD PRO A 45 10.180 15.784 4.935 1.00 0.00 C ATOM 0 HA PRO A 45 7.987 14.100 6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.602 16.583 7.747 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.785 15.289 7.742 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.514 17.614 5.847 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.965 16.944 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 45 10.238 16.355 4.008 1.00 0.00 H new ATOM 0 HD3 PRO A 45 11.096 15.197 5.006 1.00 0.00 H new ATOM 640 N HIS A 46 6.716 16.368 4.854 1.00 0.00 N ATOM 641 CA HIS A 46 5.481 17.077 4.542 1.00 0.00 C ATOM 642 C HIS A 46 4.725 16.381 3.414 1.00 0.00 C ATOM 643 O HIS A 46 3.503 16.485 3.315 1.00 0.00 O ATOM 644 CB HIS A 46 5.784 18.524 4.151 1.00 0.00 C ATOM 645 CG HIS A 46 6.111 19.404 5.318 1.00 0.00 C ATOM 646 ND1 HIS A 46 5.217 19.668 6.335 1.00 0.00 N ATOM 647 CD2 HIS A 46 7.241 20.080 5.628 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.784 20.470 7.218 1.00 0.00 C ATOM 649 NE2 HIS A 46 7.013 20.735 6.813 1.00 0.00 N ATOM 0 H HIS A 46 7.405 16.370 4.102 1.00 0.00 H new ATOM 0 HA HIS A 46 4.853 17.073 5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.621 18.535 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.924 18.937 3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.153 20.101 5.050 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.321 20.846 8.119 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.683 21.329 7.301 1.00 0.00 H new ATOM 658 N GLY A 47 5.461 15.671 2.564 1.00 0.00 N ATOM 659 CA GLY A 47 4.844 14.970 1.454 1.00 0.00 C ATOM 660 C GLY A 47 3.602 15.673 0.942 1.00 0.00 C ATOM 661 O GLY A 47 2.615 15.027 0.591 1.00 0.00 O ATOM 0 H GLY A 47 6.474 15.569 2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.565 14.876 0.642 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.583 13.959 1.767 1.00 0.00 H new ATOM 665 N ASP A 48 3.650 17.000 0.902 1.00 0.00 N ATOM 666 CA ASP A 48 2.520 17.792 0.430 1.00 0.00 C ATOM 667 C ASP A 48 2.709 18.191 -1.030 1.00 0.00 C ATOM 668 O ASP A 48 1.748 18.532 -1.719 1.00 0.00 O ATOM 669 CB ASP A 48 2.349 19.041 1.296 1.00 0.00 C ATOM 670 CG ASP A 48 0.959 19.636 1.184 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.022 18.902 1.426 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.852 20.836 0.856 1.00 0.00 O ATOM 0 H ASP A 48 4.459 17.550 1.191 1.00 0.00 H new ATOM 0 HA ASP A 48 1.621 17.181 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.550 18.788 2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.086 19.788 1.001 1.00 0.00 H new ATOM 677 N ASN A 49 3.953 18.147 -1.494 1.00 0.00 N ATOM 678 CA ASN A 49 4.268 18.507 -2.873 1.00 0.00 C ATOM 679 C ASN A 49 4.586 17.264 -3.699 1.00 0.00 C ATOM 680 O ASN A 49 5.349 17.326 -4.664 1.00 0.00 O ATOM 681 CB ASN A 49 5.451 19.475 -2.912 1.00 0.00 C ATOM 682 CG ASN A 49 6.481 19.174 -1.840 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.801 20.028 -1.013 1.00 0.00 O ATOM 684 ND2 ASN A 49 7.005 17.954 -1.850 1.00 0.00 N ATOM 0 H ASN A 49 4.760 17.866 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 49 3.394 18.995 -3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.926 19.425 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.087 20.495 -2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.703 17.693 -1.153 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.710 17.278 -2.554 1.00 0.00 H new ATOM 691 N LEU A 50 3.996 16.138 -3.315 1.00 0.00 N ATOM 692 CA LEU A 50 4.215 14.880 -4.021 1.00 0.00 C ATOM 693 C LEU A 50 2.995 13.971 -3.905 1.00 0.00 C ATOM 694 O LEU A 50 2.397 13.849 -2.835 1.00 0.00 O ATOM 695 CB LEU A 50 5.450 14.169 -3.465 1.00 0.00 C ATOM 696 CG LEU A 50 5.746 14.399 -1.983 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.064 13.339 -1.132 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.247 14.401 -1.733 1.00 0.00 C ATOM 0 H LEU A 50 3.362 16.070 -2.519 1.00 0.00 H new ATOM 0 HA LEU A 50 4.377 15.106 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.333 13.098 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.318 14.487 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 50 5.349 15.374 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.286 13.519 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.986 13.385 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.430 12.353 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.439 14.566 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.667 13.441 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.712 15.198 -2.314 1.00 0.00 H new ATOM 710 N THR A 51 2.632 13.333 -5.013 1.00 0.00 N ATOM 711 CA THR A 51 1.485 12.434 -5.036 1.00 0.00 C ATOM 712 C THR A 51 1.871 11.037 -4.562 1.00 0.00 C ATOM 713 O THR A 51 3.054 10.708 -4.468 1.00 0.00 O ATOM 714 CB THR A 51 0.877 12.334 -6.448 1.00 0.00 C ATOM 715 OG1 THR A 51 1.093 13.557 -7.161 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.614 12.040 -6.375 1.00 0.00 C ATOM 0 H THR A 51 3.116 13.422 -5.906 1.00 0.00 H new ATOM 0 HA THR A 51 0.742 12.853 -4.357 1.00 0.00 H new ATOM 0 HB THR A 51 1.367 11.515 -6.975 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.705 13.485 -8.058 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.022 11.974 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.773 11.095 -5.856 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.117 12.841 -5.832 1.00 0.00 H new ATOM 724 N TYR A 52 0.867 10.220 -4.264 1.00 0.00 N ATOM 725 CA TYR A 52 1.103 8.858 -3.798 1.00 0.00 C ATOM 726 C TYR A 52 0.376 7.847 -4.680 1.00 0.00 C ATOM 727 O TYR A 52 -0.847 7.888 -4.812 1.00 0.00 O ATOM 728 CB TYR A 52 0.645 8.708 -2.346 1.00 0.00 C ATOM 729 CG TYR A 52 1.495 9.479 -1.361 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.809 9.106 -1.107 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.983 10.578 -0.683 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.589 9.807 -0.207 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.756 11.285 0.217 1.00 0.00 C ATOM 734 CZ TYR A 52 3.058 10.896 0.452 1.00 0.00 C ATOM 735 OH TYR A 52 3.830 11.597 1.349 1.00 0.00 O ATOM 0 H TYR A 52 -0.118 10.477 -4.337 1.00 0.00 H new ATOM 0 HA TYR A 52 2.173 8.660 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.388 9.045 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.659 7.652 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.228 8.254 -1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.037 10.885 -0.863 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.609 9.504 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.343 12.138 0.734 1.00 0.00 H new ATOM 0 HH TYR A 52 3.256 11.981 2.044 1.00 0.00 H new ATOM 745 N SER A 53 1.139 6.940 -5.280 1.00 0.00 N ATOM 746 CA SER A 53 0.569 5.919 -6.152 1.00 0.00 C ATOM 747 C SER A 53 0.447 4.586 -5.420 1.00 0.00 C ATOM 748 O SER A 53 1.351 4.182 -4.688 1.00 0.00 O ATOM 749 CB SER A 53 1.431 5.749 -7.405 1.00 0.00 C ATOM 750 OG SER A 53 1.004 6.619 -8.439 1.00 0.00 O ATOM 0 H SER A 53 2.153 6.891 -5.179 1.00 0.00 H new ATOM 0 HA SER A 53 -0.429 6.244 -6.447 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.474 5.951 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.378 4.716 -7.749 1.00 0.00 H new ATOM 0 HG SER A 53 1.608 7.389 -8.489 1.00 0.00 H new ATOM 756 N VAL A 54 -0.677 3.907 -5.624 1.00 0.00 N ATOM 757 CA VAL A 54 -0.918 2.618 -4.985 1.00 0.00 C ATOM 758 C VAL A 54 -1.035 1.505 -6.020 1.00 0.00 C ATOM 759 O VAL A 54 -2.006 1.443 -6.774 1.00 0.00 O ATOM 760 CB VAL A 54 -2.200 2.647 -4.131 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.473 1.275 -3.532 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.090 3.702 -3.041 1.00 0.00 C ATOM 0 H VAL A 54 -1.435 4.228 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.063 2.420 -4.338 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.039 2.910 -4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.382 1.314 -2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.598 0.547 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.634 0.980 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.004 3.709 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.241 3.473 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.946 4.682 -3.496 1.00 0.00 H new ATOM 772 N PHE A 55 -0.038 0.627 -6.051 1.00 0.00 N ATOM 773 CA PHE A 55 -0.028 -0.485 -6.995 1.00 0.00 C ATOM 774 C PHE A 55 -0.541 -1.762 -6.335 1.00 0.00 C ATOM 775 O PHE A 55 0.055 -2.263 -5.381 1.00 0.00 O ATOM 776 CB PHE A 55 1.385 -0.710 -7.536 1.00 0.00 C ATOM 777 CG PHE A 55 1.972 0.503 -8.200 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.378 1.593 -7.447 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.117 0.553 -9.577 1.00 0.00 C ATOM 780 CE1 PHE A 55 2.919 2.711 -8.055 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.658 1.668 -10.190 1.00 0.00 C ATOM 782 CZ PHE A 55 3.058 2.748 -9.429 1.00 0.00 C ATOM 0 H PHE A 55 0.773 0.664 -5.434 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.690 -0.232 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.035 -1.016 -6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.365 -1.532 -8.251 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.271 1.569 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.804 -0.288 -10.178 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.232 3.554 -7.457 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.768 1.694 -11.264 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.479 3.620 -9.907 1.00 0.00 H new ATOM 792 N TYR A 56 -1.649 -2.283 -6.851 1.00 0.00 N ATOM 793 CA TYR A 56 -2.244 -3.500 -6.311 1.00 0.00 C ATOM 794 C TYR A 56 -2.212 -4.625 -7.341 1.00 0.00 C ATOM 795 O TYR A 56 -2.341 -4.388 -8.542 1.00 0.00 O ATOM 796 CB TYR A 56 -3.685 -3.236 -5.872 1.00 0.00 C ATOM 797 CG TYR A 56 -4.470 -2.390 -6.848 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.267 -1.017 -6.928 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.416 -2.961 -7.690 1.00 0.00 C ATOM 800 CE1 TYR A 56 -4.982 -0.240 -7.818 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.135 -2.192 -8.584 1.00 0.00 C ATOM 802 CZ TYR A 56 -5.915 -0.831 -8.644 1.00 0.00 C ATOM 803 OH TYR A 56 -6.630 -0.061 -9.532 1.00 0.00 O ATOM 0 H TYR A 56 -2.153 -1.882 -7.642 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.658 -3.808 -5.445 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.196 -4.190 -5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.675 -2.741 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.537 -0.550 -6.283 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.592 -4.026 -7.645 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.811 0.825 -7.867 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.865 -2.653 -9.232 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.244 -0.632 -10.039 1.00 0.00 H new ATOM 813 N THR A 57 -2.040 -5.853 -6.861 1.00 0.00 N ATOM 814 CA THR A 57 -1.991 -7.016 -7.738 1.00 0.00 C ATOM 815 C THR A 57 -2.246 -8.302 -6.960 1.00 0.00 C ATOM 816 O THR A 57 -1.655 -8.530 -5.904 1.00 0.00 O ATOM 817 CB THR A 57 -0.630 -7.124 -8.452 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.448 -8.449 -8.962 1.00 0.00 O ATOM 819 CG2 THR A 57 0.508 -6.779 -7.504 1.00 0.00 C ATOM 0 H THR A 57 -1.932 -6.067 -5.870 1.00 0.00 H new ATOM 0 HA THR A 57 -2.775 -6.883 -8.483 1.00 0.00 H new ATOM 0 HB THR A 57 -0.621 -6.413 -9.278 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.419 -8.509 -9.416 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.459 -6.862 -8.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.383 -5.759 -7.141 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.500 -7.468 -6.660 1.00 0.00 H new ATOM 827 N LYS A 58 -3.130 -9.142 -7.489 1.00 0.00 N ATOM 828 CA LYS A 58 -3.463 -10.407 -6.845 1.00 0.00 C ATOM 829 C LYS A 58 -2.223 -11.280 -6.686 1.00 0.00 C ATOM 830 O LYS A 58 -1.414 -11.398 -7.605 1.00 0.00 O ATOM 831 CB LYS A 58 -4.523 -11.153 -7.660 1.00 0.00 C ATOM 832 CG LYS A 58 -5.085 -12.375 -6.953 1.00 0.00 C ATOM 833 CD LYS A 58 -6.104 -13.099 -7.816 1.00 0.00 C ATOM 834 CE LYS A 58 -5.443 -14.148 -8.697 1.00 0.00 C ATOM 835 NZ LYS A 58 -6.285 -14.492 -9.877 1.00 0.00 N ATOM 0 H LYS A 58 -3.628 -8.969 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.861 -10.188 -5.854 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.340 -10.469 -7.890 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.088 -11.462 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.272 -13.056 -6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.551 -12.072 -6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.850 -13.575 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.632 -12.378 -8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.475 -13.779 -9.037 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.254 -15.048 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.800 -15.210 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.199 -14.868 -9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.444 -13.639 -10.450 1.00 0.00 H new ATOM 924 N GLU A 64 -0.131 -5.331 -12.016 1.00 0.00 N ATOM 925 CA GLU A 64 -0.689 -4.487 -10.966 1.00 0.00 C ATOM 926 C GLU A 64 -1.235 -3.185 -11.546 1.00 0.00 C ATOM 927 O GLU A 64 -0.829 -2.757 -12.627 1.00 0.00 O ATOM 928 CB GLU A 64 0.373 -4.180 -9.909 1.00 0.00 C ATOM 929 CG GLU A 64 1.438 -3.204 -10.381 1.00 0.00 C ATOM 930 CD GLU A 64 2.315 -3.781 -11.475 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.577 -5.002 -11.444 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.739 -3.012 -12.362 1.00 0.00 O ATOM 0 HA GLU A 64 -1.511 -5.030 -10.499 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.115 -3.772 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.853 -5.111 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.957 -2.297 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.062 -2.916 -9.535 1.00 0.00 H new ATOM 939 N ARG A 65 -2.158 -2.562 -10.821 1.00 0.00 N ATOM 940 CA ARG A 65 -2.761 -1.311 -11.264 1.00 0.00 C ATOM 941 C ARG A 65 -2.428 -0.175 -10.301 1.00 0.00 C ATOM 942 O ARG A 65 -2.482 -0.344 -9.083 1.00 0.00 O ATOM 943 CB ARG A 65 -4.279 -1.465 -11.382 1.00 0.00 C ATOM 944 CG ARG A 65 -4.711 -2.405 -12.495 1.00 0.00 C ATOM 945 CD ARG A 65 -4.822 -3.839 -12.002 1.00 0.00 C ATOM 946 NE ARG A 65 -6.039 -4.058 -11.225 1.00 0.00 N ATOM 947 CZ ARG A 65 -7.251 -4.131 -11.762 1.00 0.00 C ATOM 948 NH1 ARG A 65 -7.408 -4.003 -13.072 1.00 0.00 N ATOM 949 NH2 ARG A 65 -8.310 -4.332 -10.988 1.00 0.00 N ATOM 0 H ARG A 65 -2.505 -2.903 -9.924 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.350 -1.066 -12.243 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.673 -1.832 -10.434 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.723 -0.484 -11.553 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.672 -2.081 -12.894 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.993 -2.355 -13.314 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.810 -4.518 -12.855 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.953 -4.080 -11.390 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.953 -4.161 -10.214 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.596 -3.848 -13.670 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.340 -4.060 -13.482 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -8.193 -4.431 -9.980 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.241 -4.388 -11.402 1.00 0.00 H new ATOM 963 N VAL A 66 -2.081 0.982 -10.856 1.00 0.00 N ATOM 964 CA VAL A 66 -1.739 2.146 -10.047 1.00 0.00 C ATOM 965 C VAL A 66 -2.939 3.072 -9.882 1.00 0.00 C ATOM 966 O VAL A 66 -3.709 3.278 -10.819 1.00 0.00 O ATOM 967 CB VAL A 66 -0.574 2.938 -10.668 1.00 0.00 C ATOM 968 CG1 VAL A 66 -1.081 3.859 -11.768 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.163 3.728 -9.598 1.00 0.00 C ATOM 0 H VAL A 66 -2.029 1.138 -11.863 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.434 1.774 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 66 0.127 2.231 -11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.244 4.411 -12.195 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.560 3.266 -12.547 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.803 4.561 -11.351 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.983 4.282 -10.055 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.526 4.426 -9.122 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.560 3.043 -8.849 1.00 0.00 H new ATOM 979 N GLU A 67 -3.090 3.628 -8.684 1.00 0.00 N ATOM 980 CA GLU A 67 -4.197 4.533 -8.396 1.00 0.00 C ATOM 981 C GLU A 67 -3.695 5.814 -7.737 1.00 0.00 C ATOM 982 O GLU A 67 -3.312 5.813 -6.568 1.00 0.00 O ATOM 983 CB GLU A 67 -5.223 3.847 -7.491 1.00 0.00 C ATOM 984 CG GLU A 67 -6.640 4.364 -7.677 1.00 0.00 C ATOM 985 CD GLU A 67 -6.898 5.647 -6.911 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.026 6.540 -6.936 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.974 5.757 -6.286 1.00 0.00 O ATOM 0 H GLU A 67 -2.460 3.468 -7.898 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.674 4.795 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.208 2.775 -7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.928 3.986 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.824 4.535 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.347 3.601 -7.350 1.00 0.00 H new ATOM 994 N ASN A 68 -3.701 6.905 -8.496 1.00 0.00 N ATOM 995 CA ASN A 68 -3.245 8.193 -7.986 1.00 0.00 C ATOM 996 C ASN A 68 -4.268 8.790 -7.024 1.00 0.00 C ATOM 997 O ASN A 68 -5.438 8.957 -7.370 1.00 0.00 O ATOM 998 CB ASN A 68 -2.990 9.161 -9.143 1.00 0.00 C ATOM 999 CG ASN A 68 -2.015 8.602 -10.161 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.811 8.844 -10.082 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.533 7.849 -11.124 1.00 0.00 N ATOM 0 H ASN A 68 -4.016 6.923 -9.466 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.313 8.032 -7.443 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.935 9.390 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.601 10.100 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.926 7.445 -11.837 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.538 7.675 -11.150 1.00 0.00 H new ATOM 1008 N THR A 69 -3.819 9.110 -5.815 1.00 0.00 N ATOM 1009 CA THR A 69 -4.694 9.688 -4.803 1.00 0.00 C ATOM 1010 C THR A 69 -5.434 10.905 -5.346 1.00 0.00 C ATOM 1011 O THR A 69 -4.823 11.817 -5.903 1.00 0.00 O ATOM 1012 CB THR A 69 -3.904 10.100 -3.546 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.882 11.040 -3.896 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.276 8.886 -2.879 1.00 0.00 C ATOM 0 H THR A 69 -2.854 8.979 -5.513 1.00 0.00 H new ATOM 0 HA THR A 69 -5.416 8.918 -4.533 1.00 0.00 H new ATOM 0 HB THR A 69 -4.598 10.562 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.257 11.945 -3.898 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.724 9.202 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.059 8.186 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.595 8.399 -3.577 1.00 0.00 H new ATOM 1022 N SER A 70 -6.752 10.914 -5.179 1.00 0.00 N ATOM 1023 CA SER A 70 -7.576 12.018 -5.655 1.00 0.00 C ATOM 1024 C SER A 70 -6.849 13.349 -5.491 1.00 0.00 C ATOM 1025 O SER A 70 -7.047 14.279 -6.273 1.00 0.00 O ATOM 1026 CB SER A 70 -8.906 12.054 -4.899 1.00 0.00 C ATOM 1027 OG SER A 70 -9.731 10.961 -5.266 1.00 0.00 O ATOM 0 H SER A 70 -7.273 10.168 -4.717 1.00 0.00 H new ATOM 0 HA SER A 70 -7.773 11.860 -6.715 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.719 12.028 -3.826 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.423 12.990 -5.110 1.00 0.00 H new ATOM 0 HG SER A 70 -10.574 11.006 -4.768 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.006 13.433 -4.466 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.248 14.649 -4.198 1.00 0.00 C ATOM 1035 C HIS A 71 -3.824 14.317 -3.761 1.00 0.00 C ATOM 1036 O HIS A 71 -3.566 13.292 -3.129 1.00 0.00 O ATOM 1037 CB HIS A 71 -5.943 15.482 -3.120 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.425 15.589 -3.309 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.006 16.418 -4.245 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.445 14.963 -2.677 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.320 16.300 -4.179 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.613 15.423 -3.235 1.00 0.00 N ATOM 0 H HIS A 71 -5.831 12.673 -3.808 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.201 15.228 -5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.740 15.041 -2.144 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.513 16.483 -3.112 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.357 14.237 -1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.034 16.830 -4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.553 15.135 -2.965 1.00 0.00 H new ATOM 1051 N PRO A 72 -2.877 15.202 -4.105 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.463 15.023 -3.759 1.00 0.00 C ATOM 1053 C PRO A 72 -1.208 15.184 -2.264 1.00 0.00 C ATOM 1054 O PRO A 72 -1.559 16.203 -1.670 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.763 16.136 -4.543 1.00 0.00 C ATOM 1056 CG PRO A 72 -1.807 17.181 -4.732 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.112 16.445 -4.858 1.00 0.00 C ATOM 0 HA PRO A 72 -1.107 14.022 -4.002 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.094 16.527 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.390 15.772 -5.500 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.827 17.869 -3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.607 17.776 -5.623 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.939 17.018 -4.439 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.360 16.243 -5.900 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.594 14.170 -1.661 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.302 14.219 -0.240 1.00 0.00 C ATOM 1067 C GLY A 73 -1.265 13.382 0.579 1.00 0.00 C ATOM 1068 O GLY A 73 -0.945 12.968 1.692 1.00 0.00 O ATOM 0 H GLY A 73 -0.294 13.316 -2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.716 13.868 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.344 15.253 0.101 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.449 13.135 0.027 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.462 12.344 0.716 1.00 0.00 C ATOM 1074 C GLU A 74 -2.834 11.136 1.405 1.00 0.00 C ATOM 1075 O GLU A 74 -2.268 10.260 0.751 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.537 11.880 -0.270 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.907 11.704 0.362 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.992 11.432 -0.662 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.655 10.974 -1.774 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.176 11.677 -0.352 1.00 0.00 O ATOM 0 H GLU A 74 -2.730 13.471 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.923 12.975 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.611 12.604 -1.081 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.227 10.934 -0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.871 10.880 1.075 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.161 12.602 0.925 1.00 0.00 H new ATOM 1087 N MET A 75 -2.938 11.098 2.729 1.00 0.00 N ATOM 1088 CA MET A 75 -2.380 9.997 3.508 1.00 0.00 C ATOM 1089 C MET A 75 -3.340 8.812 3.539 1.00 0.00 C ATOM 1090 O MET A 75 -3.157 7.874 4.314 1.00 0.00 O ATOM 1091 CB MET A 75 -2.074 10.458 4.934 1.00 0.00 C ATOM 1092 CG MET A 75 -0.966 11.495 5.013 1.00 0.00 C ATOM 1093 SD MET A 75 0.668 10.754 5.191 1.00 0.00 S ATOM 1094 CE MET A 75 1.207 10.706 3.484 1.00 0.00 C ATOM 0 H MET A 75 -3.403 11.816 3.285 1.00 0.00 H new ATOM 0 HA MET A 75 -1.454 9.679 3.030 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.980 10.872 5.375 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.794 9.593 5.535 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.985 12.111 4.114 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.154 12.158 5.857 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.190 10.239 3.426 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.495 10.128 2.894 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.264 11.721 3.092 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.363 8.863 2.691 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.352 7.793 2.624 1.00 0.00 C ATOM 1106 C GLN A 76 -5.966 7.707 1.230 1.00 0.00 C ATOM 1107 O GLN A 76 -6.264 8.726 0.608 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.450 8.018 3.665 1.00 0.00 C ATOM 1109 CG GLN A 76 -5.948 8.658 4.949 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.077 9.112 5.854 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -7.823 8.294 6.392 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -7.207 10.422 6.027 1.00 0.00 N ATOM 0 H GLN A 76 -4.528 9.632 2.042 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.847 6.851 2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.225 8.650 3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.915 7.061 3.903 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.322 7.945 5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.319 9.513 4.703 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.566 11.064 5.561 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.948 10.786 6.626 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.152 6.483 0.746 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.731 6.263 -0.574 1.00 0.00 C ATOM 1123 C VAL A 77 -7.607 5.015 -0.589 1.00 0.00 C ATOM 1124 O VAL A 77 -7.484 4.146 0.275 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.639 6.124 -1.650 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.026 4.732 -1.613 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.207 6.428 -3.028 1.00 0.00 C ATOM 0 H VAL A 77 -5.910 5.629 1.248 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.344 7.136 -0.800 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.852 6.848 -1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.256 4.653 -2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.581 4.556 -0.634 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.801 3.988 -1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.421 6.325 -3.776 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.014 5.730 -3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.593 7.447 -3.046 1.00 0.00 H new ATOM 1137 N THR A 78 -8.492 4.932 -1.578 1.00 0.00 N ATOM 1138 CA THR A 78 -9.389 3.790 -1.706 1.00 0.00 C ATOM 1139 C THR A 78 -9.129 3.029 -3.001 1.00 0.00 C ATOM 1140 O THR A 78 -8.953 3.631 -4.061 1.00 0.00 O ATOM 1141 CB THR A 78 -10.865 4.229 -1.670 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.103 5.052 -0.522 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.788 3.020 -1.633 1.00 0.00 C ATOM 0 H THR A 78 -8.607 5.642 -2.302 1.00 0.00 H new ATOM 0 HA THR A 78 -9.191 3.136 -0.857 1.00 0.00 H new ATOM 0 HB THR A 78 -11.074 4.799 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.043 5.329 -0.507 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.825 3.355 -1.608 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.625 2.410 -2.522 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.576 2.428 -0.743 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.106 1.704 -2.908 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.869 0.861 -4.073 1.00 0.00 C ATOM 1153 C ILE A 79 -10.090 0.005 -4.391 1.00 0.00 C ATOM 1154 O ILE A 79 -10.276 -1.066 -3.814 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.652 -0.059 -3.865 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.459 0.746 -3.344 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.293 -0.767 -5.163 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.006 1.835 -4.290 1.00 0.00 C ATOM 0 H ILE A 79 -9.249 1.191 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.670 1.530 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.910 -0.814 -3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.724 1.195 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.626 0.067 -3.158 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.431 -1.413 -4.999 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.139 -1.368 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.052 -0.027 -5.926 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.158 2.364 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.709 1.391 -5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.824 2.536 -4.456 1.00 0.00 H new ATOM 1170 N GLN A 80 -10.919 0.485 -5.312 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.123 -0.237 -5.707 1.00 0.00 C ATOM 1172 C GLN A 80 -11.828 -1.205 -6.848 1.00 0.00 C ATOM 1173 O GLN A 80 -10.687 -1.324 -7.294 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.218 0.745 -6.126 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.459 1.856 -5.116 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.448 2.892 -5.613 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.216 2.639 -6.541 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.434 4.067 -4.995 1.00 0.00 N ATOM 0 H GLN A 80 -10.779 1.370 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.469 -0.812 -4.848 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.949 1.189 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.147 0.196 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.829 1.423 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.512 2.344 -4.886 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.780 4.233 -4.230 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.077 4.804 -5.285 1.00 0.00 H new ATOM 1187 N ASN A 81 -12.863 -1.894 -7.315 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.714 -2.853 -8.404 1.00 0.00 C ATOM 1189 C ASN A 81 -11.853 -4.036 -7.973 1.00 0.00 C ATOM 1190 O ASN A 81 -10.962 -4.470 -8.706 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.093 -2.175 -9.627 1.00 0.00 C ATOM 1192 CG ASN A 81 -12.722 -0.826 -9.922 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -13.911 -0.737 -10.226 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -11.923 0.231 -9.833 1.00 0.00 N ATOM 0 H ASN A 81 -13.814 -1.807 -6.957 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.705 -3.224 -8.666 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.023 -2.046 -9.463 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.207 -2.824 -10.496 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.289 1.164 -10.020 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.943 0.109 -9.577 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.124 -4.555 -6.781 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.375 -5.689 -6.251 1.00 0.00 C ATOM 1203 C LEU A 82 -12.291 -6.887 -6.021 1.00 0.00 C ATOM 1204 O LEU A 82 -13.515 -6.760 -6.052 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.683 -5.303 -4.943 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.689 -4.144 -5.026 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.050 -3.891 -3.669 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.624 -4.430 -6.074 1.00 0.00 C ATOM 0 H LEU A 82 -12.857 -4.208 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.619 -5.968 -6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.450 -5.046 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.158 -6.179 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.231 -3.246 -5.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.346 -3.063 -3.747 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.824 -3.642 -2.943 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.522 -4.787 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.925 -3.595 -6.120 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.086 -5.339 -5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.097 -4.561 -7.047 1.00 0.00 H new ATOM 1220 N MET A 83 -11.690 -8.049 -5.788 1.00 0.00 N ATOM 1221 CA MET A 83 -12.452 -9.269 -5.549 1.00 0.00 C ATOM 1222 C MET A 83 -12.399 -9.664 -4.077 1.00 0.00 C ATOM 1223 O MET A 83 -11.351 -9.610 -3.432 1.00 0.00 O ATOM 1224 CB MET A 83 -11.913 -10.410 -6.415 1.00 0.00 C ATOM 1225 CG MET A 83 -12.669 -11.717 -6.236 1.00 0.00 C ATOM 1226 SD MET A 83 -14.056 -11.879 -7.377 1.00 0.00 S ATOM 1227 CE MET A 83 -13.192 -12.126 -8.926 1.00 0.00 C ATOM 0 H MET A 83 -10.678 -8.171 -5.760 1.00 0.00 H new ATOM 0 HA MET A 83 -13.491 -9.077 -5.818 1.00 0.00 H new ATOM 0 HB2 MET A 83 -11.959 -10.113 -7.463 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.862 -10.572 -6.176 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.984 -12.552 -6.383 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.036 -11.782 -5.212 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.855 -12.618 -9.638 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.881 -11.161 -9.327 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.313 -12.749 -8.757 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.554 -10.069 -3.530 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.664 -10.480 -2.127 1.00 0.00 C ATOM 1239 C PRO A 84 -12.957 -11.804 -1.853 1.00 0.00 C ATOM 1240 O PRO A 84 -12.713 -12.588 -2.769 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.174 -10.627 -1.918 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.718 -10.910 -3.275 1.00 0.00 C ATOM 1243 CD PRO A 84 -14.842 -10.158 -4.238 1.00 0.00 C ATOM 0 HA PRO A 84 -13.194 -9.763 -1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.401 -11.436 -1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.606 -9.718 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.702 -11.979 -3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.755 -10.585 -3.355 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.743 -10.685 -5.187 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.246 -9.171 -4.462 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.632 -12.045 -0.588 1.00 0.00 N ATOM 1252 CA ALA A 85 -11.955 -13.274 -0.194 1.00 0.00 C ATOM 1253 C ALA A 85 -10.714 -13.515 -1.046 1.00 0.00 C ATOM 1254 O ALA A 85 -10.356 -14.658 -1.333 1.00 0.00 O ATOM 1255 CB ALA A 85 -12.907 -14.457 -0.299 1.00 0.00 C ATOM 0 H ALA A 85 -12.827 -11.405 0.182 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.636 -13.168 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.389 -15.369 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.762 -14.295 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.253 -14.555 -1.328 1.00 0.00 H new ATOM 1261 N THR A 86 -10.059 -12.430 -1.450 1.00 0.00 N ATOM 1262 CA THR A 86 -8.859 -12.523 -2.271 1.00 0.00 C ATOM 1263 C THR A 86 -7.814 -11.503 -1.834 1.00 0.00 C ATOM 1264 O THR A 86 -8.076 -10.300 -1.815 1.00 0.00 O ATOM 1265 CB THR A 86 -9.180 -12.307 -3.762 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.118 -13.292 -4.209 1.00 0.00 O ATOM 1267 CG2 THR A 86 -7.915 -12.384 -4.604 1.00 0.00 C ATOM 0 H THR A 86 -10.340 -11.477 -1.221 1.00 0.00 H new ATOM 0 HA THR A 86 -8.460 -13.528 -2.135 1.00 0.00 H new ATOM 0 HB THR A 86 -9.615 -11.314 -3.878 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.987 -13.133 -3.784 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.166 -12.229 -5.653 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.215 -11.614 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.456 -13.365 -4.482 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.627 -11.990 -1.485 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.541 -11.119 -1.050 1.00 0.00 C ATOM 1277 C VAL A 87 -5.125 -10.163 -2.162 1.00 0.00 C ATOM 1278 O VAL A 87 -5.370 -10.421 -3.341 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.314 -11.934 -0.602 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -4.455 -12.358 0.852 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.122 -13.146 -1.502 1.00 0.00 C ATOM 0 H VAL A 87 -6.393 -12.983 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.915 -10.545 -0.203 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.430 -11.302 -0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.578 -12.933 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.540 -11.473 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.348 -12.973 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.250 -13.711 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.006 -13.781 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.971 -12.816 -2.530 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.493 -9.059 -1.780 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.043 -8.063 -2.745 1.00 0.00 C ATOM 1293 C TYR A 88 -2.795 -7.343 -2.243 1.00 0.00 C ATOM 1294 O TYR A 88 -2.822 -6.682 -1.204 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.156 -7.049 -3.018 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.232 -7.566 -3.945 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.960 -7.824 -5.282 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.522 -7.796 -3.482 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.941 -8.296 -6.133 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.509 -8.269 -4.326 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.214 -8.517 -5.650 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.193 -8.989 -6.494 1.00 0.00 O ATOM 0 H TYR A 88 -4.281 -8.831 -0.809 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.794 -8.578 -3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.612 -6.759 -2.071 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.718 -6.149 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.964 -7.653 -5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.757 -7.602 -2.446 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.712 -8.491 -7.170 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.506 -8.444 -3.950 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.784 -9.544 -7.191 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.704 -7.475 -2.989 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.446 -6.837 -2.621 1.00 0.00 C ATOM 1314 C ILE A 89 -0.462 -5.352 -2.968 1.00 0.00 C ATOM 1315 O ILE A 89 -0.314 -4.973 -4.130 1.00 0.00 O ATOM 1316 CB ILE A 89 0.750 -7.504 -3.325 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.570 -9.023 -3.355 1.00 0.00 C ATOM 1318 CG2 ILE A 89 2.050 -7.132 -2.627 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.344 -9.631 -1.989 1.00 0.00 C ATOM 0 H ILE A 89 -1.665 -8.018 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.335 -6.955 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 89 0.796 -7.143 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.276 -9.268 -3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.453 -9.477 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.886 -7.611 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.181 -6.050 -2.654 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.016 -7.468 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.225 -10.710 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.200 -9.417 -1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.556 -9.205 -1.545 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.641 -4.515 -1.951 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.675 -3.070 -2.147 1.00 0.00 C ATOM 1333 C PHE A 90 0.701 -2.455 -1.903 1.00 0.00 C ATOM 1334 O PHE A 90 1.398 -2.823 -0.957 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.704 -2.431 -1.213 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.115 -2.864 -1.490 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.622 -4.023 -0.926 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.935 -2.111 -2.316 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -4.921 -4.424 -1.179 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.234 -2.507 -2.572 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.727 -3.665 -2.004 1.00 0.00 C ATOM 0 H PHE A 90 -0.765 -4.812 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.963 -2.876 -3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.452 -2.680 -0.182 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.641 -1.347 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.995 -4.621 -0.281 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.555 -1.205 -2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.304 -5.329 -0.732 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.863 -1.911 -3.216 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.741 -3.977 -2.205 1.00 0.00 H new ATOM 1351 N ARG A 91 1.084 -1.518 -2.764 1.00 0.00 N ATOM 1352 CA ARG A 91 2.376 -0.854 -2.644 1.00 0.00 C ATOM 1353 C ARG A 91 2.230 0.655 -2.823 1.00 0.00 C ATOM 1354 O ARG A 91 1.808 1.127 -3.879 1.00 0.00 O ATOM 1355 CB ARG A 91 3.357 -1.408 -3.679 1.00 0.00 C ATOM 1356 CG ARG A 91 3.720 -2.867 -3.454 1.00 0.00 C ATOM 1357 CD ARG A 91 4.650 -3.384 -4.539 1.00 0.00 C ATOM 1358 NE ARG A 91 4.186 -3.023 -5.876 1.00 0.00 N ATOM 1359 CZ ARG A 91 4.488 -1.876 -6.475 1.00 0.00 C ATOM 1360 NH1 ARG A 91 5.252 -0.984 -5.859 1.00 0.00 N ATOM 1361 NH2 ARG A 91 4.028 -1.620 -7.692 1.00 0.00 N ATOM 0 H ARG A 91 0.518 -1.202 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 91 2.765 -1.049 -1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.923 -1.299 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.267 -0.809 -3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.198 -2.978 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.812 -3.470 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.650 -2.981 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.728 -4.469 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 91 3.598 -3.688 -6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.609 -1.178 -4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.482 -0.104 -6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.441 -2.304 -8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.261 -0.739 -8.150 1.00 0.00 H new ATOM 1375 N VAL A 92 2.582 1.406 -1.784 1.00 0.00 N ATOM 1376 CA VAL A 92 2.491 2.860 -1.826 1.00 0.00 C ATOM 1377 C VAL A 92 3.828 3.484 -2.209 1.00 0.00 C ATOM 1378 O VAL A 92 4.881 3.055 -1.738 1.00 0.00 O ATOM 1379 CB VAL A 92 2.038 3.434 -0.470 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.553 4.866 -0.632 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.954 2.561 0.142 1.00 0.00 C ATOM 0 H VAL A 92 2.933 1.031 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 92 1.748 3.108 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 92 2.893 3.440 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.237 5.255 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.362 5.482 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.711 4.889 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.646 2.981 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.097 2.521 -0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.342 1.554 0.296 1.00 0.00 H new ATOM 1391 N MET A 93 3.779 4.498 -3.065 1.00 0.00 N ATOM 1392 CA MET A 93 4.987 5.183 -3.510 1.00 0.00 C ATOM 1393 C MET A 93 4.723 6.670 -3.722 1.00 0.00 C ATOM 1394 O MET A 93 3.679 7.056 -4.246 1.00 0.00 O ATOM 1395 CB MET A 93 5.507 4.556 -4.805 1.00 0.00 C ATOM 1396 CG MET A 93 6.359 5.500 -5.638 1.00 0.00 C ATOM 1397 SD MET A 93 5.389 6.435 -6.837 1.00 0.00 S ATOM 1398 CE MET A 93 4.979 5.151 -8.016 1.00 0.00 C ATOM 0 H MET A 93 2.915 4.864 -3.465 1.00 0.00 H new ATOM 0 HA MET A 93 5.743 5.074 -2.733 1.00 0.00 H new ATOM 0 HB2 MET A 93 6.094 3.671 -4.560 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.659 4.221 -5.403 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.879 6.193 -4.977 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.123 4.926 -6.163 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.925 5.225 -8.282 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.589 5.271 -8.912 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.174 4.174 -7.573 1.00 0.00 H new ATOM 1408 N ALA A 94 5.676 7.500 -3.310 1.00 0.00 N ATOM 1409 CA ALA A 94 5.547 8.945 -3.457 1.00 0.00 C ATOM 1410 C ALA A 94 6.011 9.400 -4.836 1.00 0.00 C ATOM 1411 O ALA A 94 6.779 8.707 -5.502 1.00 0.00 O ATOM 1412 CB ALA A 94 6.337 9.658 -2.370 1.00 0.00 C ATOM 0 H ALA A 94 6.546 7.197 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 94 4.493 9.204 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.232 10.736 -2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.956 9.364 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.389 9.385 -2.447 1.00 0.00 H new ATOM 1418 N GLN A 95 5.538 10.569 -5.258 1.00 0.00 N ATOM 1419 CA GLN A 95 5.905 11.115 -6.559 1.00 0.00 C ATOM 1420 C GLN A 95 6.002 12.636 -6.503 1.00 0.00 C ATOM 1421 O GLN A 95 5.040 13.317 -6.152 1.00 0.00 O ATOM 1422 CB GLN A 95 4.882 10.697 -7.618 1.00 0.00 C ATOM 1423 CG GLN A 95 5.266 9.431 -8.367 1.00 0.00 C ATOM 1424 CD GLN A 95 4.060 8.619 -8.796 1.00 0.00 C ATOM 1425 OE1 GLN A 95 2.921 9.076 -8.694 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.304 7.407 -9.281 1.00 0.00 N ATOM 0 H GLN A 95 4.901 11.155 -4.718 1.00 0.00 H new ATOM 0 HA GLN A 95 6.883 10.716 -6.830 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.915 10.546 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.759 11.510 -8.334 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.852 9.697 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.905 8.817 -7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.264 7.068 -9.348 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.532 6.815 -9.587 1.00 0.00 H new ATOM 1435 N ASN A 96 7.172 13.162 -6.851 1.00 0.00 N ATOM 1436 CA ASN A 96 7.396 14.603 -6.839 1.00 0.00 C ATOM 1437 C ASN A 96 7.793 15.103 -8.225 1.00 0.00 C ATOM 1438 O ASN A 96 7.887 14.326 -9.175 1.00 0.00 O ATOM 1439 CB ASN A 96 8.483 14.963 -5.824 1.00 0.00 C ATOM 1440 CG ASN A 96 9.874 14.615 -6.319 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.643 15.493 -6.709 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.203 13.328 -6.303 1.00 0.00 N ATOM 0 H ASN A 96 7.979 12.612 -7.145 1.00 0.00 H new ATOM 0 HA ASN A 96 6.464 15.088 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.434 16.030 -5.606 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.291 14.438 -4.888 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.126 13.033 -6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.533 12.634 -5.971 1.00 0.00 H new ATOM 1449 N LYS A 97 8.027 16.407 -8.333 1.00 0.00 N ATOM 1450 CA LYS A 97 8.416 17.013 -9.601 1.00 0.00 C ATOM 1451 C LYS A 97 9.362 16.099 -10.373 1.00 0.00 C ATOM 1452 O LYS A 97 9.421 16.145 -11.602 1.00 0.00 O ATOM 1453 CB LYS A 97 9.084 18.368 -9.358 1.00 0.00 C ATOM 1454 CG LYS A 97 10.539 18.262 -8.937 1.00 0.00 C ATOM 1455 CD LYS A 97 11.002 19.514 -8.212 1.00 0.00 C ATOM 1456 CE LYS A 97 12.415 19.355 -7.672 1.00 0.00 C ATOM 1457 NZ LYS A 97 12.850 20.548 -6.894 1.00 0.00 N ATOM 0 H LYS A 97 7.954 17.065 -7.557 1.00 0.00 H new ATOM 0 HA LYS A 97 7.515 17.160 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.021 18.963 -10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.530 18.904 -8.588 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.669 17.396 -8.288 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.162 18.098 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.965 20.365 -8.893 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.320 19.733 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.464 18.470 -7.037 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.104 19.191 -8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.818 20.400 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.828 21.388 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.208 20.690 -6.088 1.00 0.00 H new ATOM 1471 N HIS A 98 10.100 15.267 -9.644 1.00 0.00 N ATOM 1472 CA HIS A 98 11.042 14.340 -10.262 1.00 0.00 C ATOM 1473 C HIS A 98 10.306 13.190 -10.941 1.00 0.00 C ATOM 1474 O HIS A 98 10.242 13.119 -12.168 1.00 0.00 O ATOM 1475 CB HIS A 98 12.012 13.793 -9.214 1.00 0.00 C ATOM 1476 CG HIS A 98 12.791 14.857 -8.505 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.274 15.984 -9.136 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.169 14.962 -7.209 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.917 16.735 -8.260 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.867 16.138 -7.083 1.00 0.00 N ATOM 0 H HIS A 98 10.064 15.216 -8.626 1.00 0.00 H new ATOM 0 HA HIS A 98 11.606 14.884 -11.020 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.452 13.214 -8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.707 13.107 -9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.960 14.253 -6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.401 17.677 -8.470 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.280 16.493 -6.220 1.00 0.00 H new ATOM 1489 N GLY A 99 9.751 12.289 -10.135 1.00 0.00 N ATOM 1490 CA GLY A 99 9.028 11.154 -10.677 1.00 0.00 C ATOM 1491 C GLY A 99 8.677 10.130 -9.616 1.00 0.00 C ATOM 1492 O GLY A 99 8.230 10.485 -8.525 1.00 0.00 O ATOM 0 H GLY A 99 9.790 12.326 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.114 11.505 -11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.631 10.679 -11.451 1.00 0.00 H new ATOM 1496 N SER A 100 8.877 8.856 -9.936 1.00 0.00 N ATOM 1497 CA SER A 100 8.573 7.777 -9.004 1.00 0.00 C ATOM 1498 C SER A 100 9.815 7.376 -8.213 1.00 0.00 C ATOM 1499 O SER A 100 10.798 6.899 -8.778 1.00 0.00 O ATOM 1500 CB SER A 100 8.021 6.565 -9.756 1.00 0.00 C ATOM 1501 OG SER A 100 6.815 6.887 -10.427 1.00 0.00 O ATOM 0 H SER A 100 9.248 8.546 -10.834 1.00 0.00 H new ATOM 0 HA SER A 100 7.818 8.137 -8.305 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.759 6.213 -10.477 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.845 5.748 -9.056 1.00 0.00 H new ATOM 0 HG SER A 100 6.483 6.096 -10.901 1.00 0.00 H new ATOM 1507 N GLY A 101 9.761 7.574 -6.899 1.00 0.00 N ATOM 1508 CA GLY A 101 10.887 7.229 -6.050 1.00 0.00 C ATOM 1509 C GLY A 101 10.904 5.759 -5.680 1.00 0.00 C ATOM 1510 O GLY A 101 10.852 4.892 -6.552 1.00 0.00 O ATOM 0 H GLY A 101 8.958 7.967 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.815 7.483 -6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.850 7.829 -5.141 1.00 0.00 H new ATOM 1514 N GLU A 102 10.979 5.478 -4.383 1.00 0.00 N ATOM 1515 CA GLU A 102 11.006 4.102 -3.900 1.00 0.00 C ATOM 1516 C GLU A 102 9.606 3.634 -3.513 1.00 0.00 C ATOM 1517 O GLU A 102 8.801 4.410 -2.998 1.00 0.00 O ATOM 1518 CB GLU A 102 11.948 3.978 -2.700 1.00 0.00 C ATOM 1519 CG GLU A 102 12.217 2.541 -2.285 1.00 0.00 C ATOM 1520 CD GLU A 102 12.967 2.445 -0.970 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.344 2.677 0.087 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.177 2.137 -0.999 1.00 0.00 O ATOM 0 H GLU A 102 11.022 6.184 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 102 11.372 3.467 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.895 4.462 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.520 4.518 -1.855 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.270 2.008 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.793 2.043 -3.065 1.00 0.00 H new ATOM 1529 N SER A 103 9.324 2.360 -3.765 1.00 0.00 N ATOM 1530 CA SER A 103 8.021 1.789 -3.447 1.00 0.00 C ATOM 1531 C SER A 103 8.053 1.081 -2.096 1.00 0.00 C ATOM 1532 O SER A 103 8.926 0.253 -1.837 1.00 0.00 O ATOM 1533 CB SER A 103 7.590 0.808 -4.539 1.00 0.00 C ATOM 1534 OG SER A 103 7.939 1.291 -5.825 1.00 0.00 O ATOM 0 H SER A 103 9.980 1.704 -4.188 1.00 0.00 H new ATOM 0 HA SER A 103 7.298 2.603 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.062 -0.160 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.513 0.650 -4.486 1.00 0.00 H new ATOM 0 HG SER A 103 7.654 0.645 -6.505 1.00 0.00 H new ATOM 1540 N SER A 104 7.093 1.412 -1.238 1.00 0.00 N ATOM 1541 CA SER A 104 7.012 0.812 0.088 1.00 0.00 C ATOM 1542 C SER A 104 6.901 -0.707 -0.009 1.00 0.00 C ATOM 1543 O SER A 104 6.744 -1.260 -1.096 1.00 0.00 O ATOM 1544 CB SER A 104 5.812 1.374 0.853 1.00 0.00 C ATOM 1545 OG SER A 104 4.603 1.132 0.155 1.00 0.00 O ATOM 0 H SER A 104 6.360 2.093 -1.438 1.00 0.00 H new ATOM 0 HA SER A 104 7.926 1.059 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.762 0.919 1.842 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.941 2.446 1.002 1.00 0.00 H new ATOM 0 HG SER A 104 4.592 1.657 -0.672 1.00 0.00 H new ATOM 1551 N ALA A 105 6.985 -1.374 1.138 1.00 0.00 N ATOM 1552 CA ALA A 105 6.893 -2.828 1.184 1.00 0.00 C ATOM 1553 C ALA A 105 5.508 -3.303 0.757 1.00 0.00 C ATOM 1554 O ALA A 105 4.500 -2.632 0.976 1.00 0.00 O ATOM 1555 CB ALA A 105 7.219 -3.333 2.581 1.00 0.00 C ATOM 0 H ALA A 105 7.117 -0.930 2.047 1.00 0.00 H new ATOM 0 HA ALA A 105 7.621 -3.237 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.146 -4.420 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.232 -3.032 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.513 -2.909 3.295 1.00 0.00 H new ATOM 1561 N PRO A 106 5.456 -4.489 0.131 1.00 0.00 N ATOM 1562 CA PRO A 106 4.200 -5.080 -0.340 1.00 0.00 C ATOM 1563 C PRO A 106 3.307 -5.537 0.809 1.00 0.00 C ATOM 1564 O PRO A 106 3.637 -6.482 1.527 1.00 0.00 O ATOM 1565 CB PRO A 106 4.663 -6.282 -1.168 1.00 0.00 C ATOM 1566 CG PRO A 106 5.996 -6.638 -0.606 1.00 0.00 C ATOM 1567 CD PRO A 106 6.618 -5.343 -0.164 1.00 0.00 C ATOM 0 HA PRO A 106 3.598 -4.365 -0.900 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.963 -7.114 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.734 -6.030 -2.226 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.895 -7.328 0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.615 -7.133 -1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.249 -5.480 0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.246 -4.912 -0.944 1.00 0.00 H new ATOM 1575 N LEU A 107 2.176 -4.861 0.977 1.00 0.00 N ATOM 1576 CA LEU A 107 1.235 -5.198 2.040 1.00 0.00 C ATOM 1577 C LEU A 107 0.215 -6.226 1.558 1.00 0.00 C ATOM 1578 O LEU A 107 -0.426 -6.040 0.524 1.00 0.00 O ATOM 1579 CB LEU A 107 0.516 -3.940 2.529 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.534 -4.149 3.621 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.124 -4.607 4.913 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.328 -2.870 3.849 1.00 0.00 C ATOM 0 H LEU A 107 1.888 -4.077 0.392 1.00 0.00 H new ATOM 0 HA LEU A 107 1.798 -5.632 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.264 -3.240 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.033 -3.466 1.674 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.223 -4.927 3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.638 -4.751 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.647 -5.548 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.835 -3.852 5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.071 -3.037 4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.652 -2.072 4.156 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.831 -2.584 2.925 1.00 0.00 H new ATOM 1594 N ARG A 108 0.070 -7.308 2.316 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.873 -8.364 1.967 1.00 0.00 C ATOM 1596 C ARG A 108 -2.202 -8.167 2.690 1.00 0.00 C ATOM 1597 O ARG A 108 -2.314 -8.430 3.887 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.288 -9.734 2.316 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.142 -10.899 1.842 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.307 -12.153 1.633 1.00 0.00 C ATOM 1601 NE ARG A 108 -1.133 -13.355 1.567 1.00 0.00 N ATOM 1602 CZ ARG A 108 -1.757 -13.877 2.617 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -1.651 -13.303 3.808 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -2.491 -14.973 2.477 1.00 0.00 N ATOM 0 H ARG A 108 0.593 -7.476 3.175 1.00 0.00 H new ATOM 0 HA ARG A 108 -1.053 -8.316 0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.705 -9.819 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.163 -9.802 3.397 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.925 -11.099 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.639 -10.632 0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 108 0.267 -12.057 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.411 -12.251 2.447 1.00 0.00 H new ATOM 0 HE ARG A 108 -1.237 -13.820 0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -1.089 -12.459 3.919 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -2.131 -13.706 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -2.577 -15.416 1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.970 -15.373 3.284 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.207 -7.702 1.954 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.528 -7.471 2.524 1.00 0.00 C ATOM 1620 C VAL A 109 -5.555 -8.435 1.941 1.00 0.00 C ATOM 1621 O VAL A 109 -5.683 -8.558 0.723 1.00 0.00 O ATOM 1622 CB VAL A 109 -5.000 -6.025 2.279 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.406 -5.822 2.823 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -4.029 -5.035 2.905 1.00 0.00 C ATOM 0 H VAL A 109 -3.131 -7.478 0.962 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.443 -7.641 3.597 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.023 -5.846 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.722 -4.795 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.092 -6.507 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.413 -6.019 3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.378 -4.019 2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.971 -5.211 3.979 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.041 -5.165 2.463 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.285 -9.116 2.819 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.301 -10.070 2.389 1.00 0.00 C ATOM 1636 C GLU A 110 -8.702 -9.492 2.572 1.00 0.00 C ATOM 1637 O GLU A 110 -9.096 -9.127 3.680 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.170 -11.376 3.175 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.077 -12.485 2.668 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.077 -13.700 3.576 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.525 -13.575 4.735 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.629 -14.775 3.126 1.00 0.00 O ATOM 0 H GLU A 110 -6.192 -9.025 3.831 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.146 -10.274 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.135 -11.715 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.397 -11.183 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.094 -12.104 2.577 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.757 -12.782 1.669 1.00 0.00 H new ATOM 1649 N THR A 111 -9.449 -9.411 1.476 1.00 0.00 N ATOM 1650 CA THR A 111 -10.805 -8.876 1.513 1.00 0.00 C ATOM 1651 C THR A 111 -11.734 -9.788 2.305 1.00 0.00 C ATOM 1652 O THR A 111 -11.315 -10.831 2.807 1.00 0.00 O ATOM 1653 CB THR A 111 -11.374 -8.689 0.094 1.00 0.00 C ATOM 1654 OG1 THR A 111 -10.952 -9.767 -0.749 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.919 -7.365 -0.502 1.00 0.00 C ATOM 0 H THR A 111 -9.138 -9.709 0.551 1.00 0.00 H new ATOM 0 HA THR A 111 -10.748 -7.905 2.004 1.00 0.00 H new ATOM 0 HB THR A 111 -12.462 -8.684 0.161 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.080 -9.517 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.333 -7.256 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.267 -6.545 0.126 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.830 -7.345 -0.555 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.997 -9.389 2.412 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.986 -10.172 3.144 1.00 0.00 C ATOM 1665 C GLN A 112 -14.920 -10.903 2.185 1.00 0.00 C ATOM 1666 O GLN A 112 -15.317 -10.377 1.145 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.796 -9.268 4.075 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.038 -8.035 4.538 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.843 -8.377 5.406 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.397 -9.524 5.444 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -12.317 -7.381 6.109 1.00 0.00 N ATOM 0 H GLN A 112 -13.360 -8.529 2.001 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.456 -10.914 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.705 -8.954 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.105 -9.843 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.701 -7.472 3.668 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.713 -7.386 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.719 -6.445 6.047 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.511 -7.551 6.711 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.280 -12.145 2.541 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.172 -12.975 1.725 1.00 0.00 C ATOM 1682 C PRO A 113 -17.605 -12.455 1.722 1.00 0.00 C ATOM 1683 O PRO A 113 -18.393 -12.777 2.610 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.101 -14.345 2.404 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.731 -14.049 3.817 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.844 -12.835 3.767 1.00 0.00 C ATOM 0 HA PRO A 113 -15.872 -12.988 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.057 -14.866 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.360 -14.986 1.926 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.618 -13.860 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.211 -14.894 4.270 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.972 -12.207 4.649 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.790 -13.109 3.721 1.00 0.00 H new