USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 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 THR OG1 : rot 86:sc= 0.478 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.524 F(o=0.28,f=1) USER MOD Set 2.1: A 51 MET CE :methyl -111:sc= -3.69! (180deg=-1.86!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 145:sc= -1.38 (180deg=0) USER MOD Set 2.3: A 68 SER OG : rot 160:sc= 0.0064 USER MOD Set 3.1: A 23 TYR OH : rot -130:sc= -3.85! USER MOD Set 3.2: A 27 SER OG : rot 109:sc= 1.02 USER MOD Set 3.3: A 112 HIS : no HD1:sc= -9.88! C(o=-13!,f=-17!) USER MOD Single : A 12 TYR OH : rot 3:sc= -1.55! USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -171:sc= -2.9 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -3.01! C(o=-3!,f=-2.7!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= -1.45 (180deg=-1.62) USER MOD Single : A 34 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00127) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0.021 USER MOD Single : A 57 ASN : amide:sc= -4.56 K(o=-4.6,f=-12!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -152:sc= -1.87 (180deg=-4.25!) USER MOD Single : A 73 THR OG1 : rot 56:sc= -4.71! USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00686) USER MOD Single : A 77 LYS NZ :NH3+ 151:sc= -0.364 (180deg=-1.43!) USER MOD Single : A 79 SER OG : rot 62:sc= 1.13 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.57! USER MOD Single : A 83 SER OG : rot -65:sc= 1.14 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 87 ASN : amide:sc= -5.74! C(o=-5.7!,f=-8.5!) USER MOD Single : A 92 ASN : amide:sc= -0.387 K(o=-0.39,f=-5.9!) USER MOD Single : A 98 THR OG1 : rot -49:sc= 0.176 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -125:sc= -0.461 (180deg=-1.59!) USER MOD Single : A 110 SER OG : rot -56:sc= 0.323 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.100 2.095 14.737 1.00 0.00 N ATOM 194 CA TYR A 12 -3.051 3.332 15.507 1.00 0.00 C ATOM 195 C TYR A 12 -4.316 4.160 15.300 1.00 0.00 C ATOM 196 O TYR A 12 -5.122 4.318 16.219 1.00 0.00 O ATOM 197 CB TYR A 12 -1.810 4.140 15.096 1.00 0.00 C ATOM 198 CG TYR A 12 -0.693 3.274 14.543 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.889 2.504 13.402 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.542 3.201 15.175 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.104 1.689 12.907 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.546 2.385 14.684 1.00 0.00 C ATOM 203 CZ TYR A 12 1.321 1.631 13.551 1.00 0.00 C ATOM 204 OH TYR A 12 2.317 0.818 13.060 1.00 0.00 O ATOM 0 HA TYR A 12 -2.988 3.082 16.566 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.096 4.877 14.346 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.440 4.692 15.960 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.841 2.546 12.893 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.721 3.790 16.063 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.070 1.099 12.019 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.501 2.339 15.186 1.00 0.00 H new ATOM 0 HH TYR A 12 2.013 0.393 12.231 1.00 0.00 H new ATOM 214 N GLY A 13 -4.488 4.686 14.092 1.00 0.00 N ATOM 215 CA GLY A 13 -5.661 5.489 13.797 1.00 0.00 C ATOM 216 C GLY A 13 -5.707 5.951 12.355 1.00 0.00 C ATOM 217 O GLY A 13 -6.083 5.188 11.465 1.00 0.00 O ATOM 0 H GLY A 13 -3.839 4.571 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.557 4.909 14.017 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.675 6.359 14.453 1.00 0.00 H new ATOM 221 N ILE A 14 -5.329 7.205 12.123 1.00 0.00 N ATOM 222 CA ILE A 14 -5.334 7.770 10.777 1.00 0.00 C ATOM 223 C ILE A 14 -4.650 6.837 9.783 1.00 0.00 C ATOM 224 O ILE A 14 -5.159 6.600 8.687 1.00 0.00 O ATOM 225 CB ILE A 14 -4.644 9.153 10.747 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.896 9.853 9.405 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.152 9.019 11.023 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.094 9.288 8.249 1.00 0.00 C ATOM 0 H ILE A 14 -5.016 7.849 12.849 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.377 7.891 10.486 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.076 9.769 11.536 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.957 9.783 9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.662 10.912 9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.687 10.005 10.997 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.002 8.573 12.006 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.697 8.383 10.263 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.331 9.838 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.030 9.383 8.464 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -4.344 8.236 8.112 1.00 0.00 H new ATOM 240 N GLU A 15 -3.500 6.303 10.175 1.00 0.00 N ATOM 241 CA GLU A 15 -2.756 5.389 9.318 1.00 0.00 C ATOM 242 C GLU A 15 -3.447 4.031 9.257 1.00 0.00 C ATOM 243 O GLU A 15 -3.357 3.323 8.255 1.00 0.00 O ATOM 244 CB GLU A 15 -1.322 5.229 9.826 1.00 0.00 C ATOM 245 CG GLU A 15 -0.334 6.171 9.156 1.00 0.00 C ATOM 246 CD GLU A 15 0.594 6.847 10.147 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.103 7.319 11.193 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.812 6.901 9.877 1.00 0.00 O ATOM 0 H GLU A 15 -3.063 6.486 11.078 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.726 5.809 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.304 5.402 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.000 4.201 9.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.259 5.613 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.883 6.932 8.601 1.00 0.00 H new ATOM 255 N GLY A 16 -4.146 3.679 10.332 1.00 0.00 N ATOM 256 CA GLY A 16 -4.851 2.413 10.371 1.00 0.00 C ATOM 257 C GLY A 16 -6.148 2.462 9.591 1.00 0.00 C ATOM 258 O GLY A 16 -6.615 1.442 9.084 1.00 0.00 O ATOM 0 H GLY A 16 -4.236 4.247 11.174 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.212 1.630 9.963 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.061 2.147 11.407 1.00 0.00 H new ATOM 262 N ARG A 17 -6.728 3.654 9.489 1.00 0.00 N ATOM 263 CA ARG A 17 -7.975 3.834 8.758 1.00 0.00 C ATOM 264 C ARG A 17 -7.729 3.777 7.256 1.00 0.00 C ATOM 265 O ARG A 17 -8.618 3.413 6.491 1.00 0.00 O ATOM 266 CB ARG A 17 -8.627 5.166 9.134 1.00 0.00 C ATOM 267 CG ARG A 17 -9.459 5.099 10.404 1.00 0.00 C ATOM 268 CD ARG A 17 -9.415 6.413 11.168 1.00 0.00 C ATOM 269 NE ARG A 17 -9.608 6.218 12.603 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.764 5.851 13.153 1.00 0.00 C ATOM 271 NH1 ARG A 17 -11.830 5.639 12.391 1.00 0.00 N ATOM 272 NH2 ARG A 17 -10.853 5.697 14.467 1.00 0.00 N ATOM 0 H ARG A 17 -6.354 4.508 9.903 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.651 3.023 9.031 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.849 5.919 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.261 5.496 8.311 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -10.492 4.858 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.090 4.294 11.040 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.456 6.902 10.994 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -10.187 7.081 10.786 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.810 6.372 13.220 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.766 5.757 11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.713 5.358 12.817 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.036 5.860 15.056 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.738 5.416 14.889 1.00 0.00 H new ATOM 286 N TYR A 18 -6.515 4.128 6.836 1.00 0.00 N ATOM 287 CA TYR A 18 -6.167 4.098 5.420 1.00 0.00 C ATOM 288 C TYR A 18 -6.461 2.724 4.837 1.00 0.00 C ATOM 289 O TYR A 18 -7.069 2.603 3.773 1.00 0.00 O ATOM 290 CB TYR A 18 -4.687 4.441 5.223 1.00 0.00 C ATOM 291 CG TYR A 18 -4.447 5.832 4.684 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.761 6.952 5.443 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.904 6.027 3.420 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.542 8.227 4.958 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.682 7.299 2.927 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.003 8.395 3.700 1.00 0.00 C ATOM 297 OH TYR A 18 -3.783 9.663 3.215 1.00 0.00 O ATOM 0 H TYR A 18 -5.762 4.434 7.452 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.771 4.843 4.901 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.170 4.338 6.177 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.244 3.716 4.540 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.183 6.824 6.429 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.651 5.170 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.792 9.088 5.561 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.260 7.434 1.942 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.398 9.607 2.315 1.00 0.00 H new ATOM 307 N ALA A 19 -6.035 1.690 5.550 1.00 0.00 N ATOM 308 CA ALA A 19 -6.263 0.324 5.113 1.00 0.00 C ATOM 309 C ALA A 19 -7.729 -0.043 5.267 1.00 0.00 C ATOM 310 O ALA A 19 -8.292 -0.742 4.430 1.00 0.00 O ATOM 311 CB ALA A 19 -5.385 -0.640 5.898 1.00 0.00 C ATOM 0 H ALA A 19 -5.530 1.774 6.432 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.997 0.249 4.059 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.569 -1.659 5.558 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.336 -0.388 5.740 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.620 -0.564 6.960 1.00 0.00 H new ATOM 317 N THR A 20 -8.350 0.441 6.337 1.00 0.00 N ATOM 318 CA THR A 20 -9.756 0.158 6.581 1.00 0.00 C ATOM 319 C THR A 20 -10.634 0.878 5.568 1.00 0.00 C ATOM 320 O THR A 20 -11.704 0.390 5.204 1.00 0.00 O ATOM 321 CB THR A 20 -10.157 0.550 8.003 1.00 0.00 C ATOM 322 OG1 THR A 20 -9.012 0.834 8.789 1.00 0.00 O ATOM 323 CG2 THR A 20 -10.946 -0.530 8.710 1.00 0.00 C ATOM 0 H THR A 20 -7.904 1.027 7.043 1.00 0.00 H new ATOM 0 HA THR A 20 -9.904 -0.916 6.468 1.00 0.00 H new ATOM 0 HB THR A 20 -10.786 1.434 7.898 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.277 0.943 9.726 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.202 -0.195 9.715 1.00 0.00 H new ATOM 0 HG22 THR A 20 -11.859 -0.737 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.345 -1.437 8.773 1.00 0.00 H new ATOM 331 N ALA A 21 -10.172 2.032 5.097 1.00 0.00 N ATOM 332 CA ALA A 21 -10.921 2.794 4.110 1.00 0.00 C ATOM 333 C ALA A 21 -10.467 2.440 2.701 1.00 0.00 C ATOM 334 O ALA A 21 -10.859 3.082 1.727 1.00 0.00 O ATOM 335 CB ALA A 21 -10.784 4.287 4.363 1.00 0.00 C ATOM 0 H ALA A 21 -9.289 2.456 5.382 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.975 2.531 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.352 4.837 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.168 4.525 5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.733 4.571 4.303 1.00 0.00 H new ATOM 341 N LEU A 22 -9.660 1.389 2.602 1.00 0.00 N ATOM 342 CA LEU A 22 -9.174 0.914 1.318 1.00 0.00 C ATOM 343 C LEU A 22 -9.610 -0.517 1.150 1.00 0.00 C ATOM 344 O LEU A 22 -10.118 -0.913 0.101 1.00 0.00 O ATOM 345 CB LEU A 22 -7.653 1.017 1.231 1.00 0.00 C ATOM 346 CG LEU A 22 -7.048 0.442 -0.051 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.760 1.553 -1.048 1.00 0.00 C ATOM 348 CD2 LEU A 22 -5.786 -0.347 0.261 1.00 0.00 C ATOM 0 H LEU A 22 -9.329 0.850 3.402 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.588 1.533 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.368 2.066 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.217 0.500 2.086 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.771 -0.239 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.330 1.126 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.687 2.070 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.056 2.261 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.370 -0.748 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.055 0.309 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.028 -1.168 0.936 1.00 0.00 H new ATOM 360 N TYR A 23 -9.448 -1.281 2.216 1.00 0.00 N ATOM 361 CA TYR A 23 -9.865 -2.655 2.210 1.00 0.00 C ATOM 362 C TYR A 23 -11.390 -2.712 2.259 1.00 0.00 C ATOM 363 O TYR A 23 -11.985 -3.729 1.918 1.00 0.00 O ATOM 364 CB TYR A 23 -9.244 -3.408 3.386 1.00 0.00 C ATOM 365 CG TYR A 23 -10.257 -4.024 4.313 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.900 -5.197 3.962 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.579 -3.427 5.521 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.834 -5.770 4.789 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.520 -3.986 6.355 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.145 -5.161 5.987 1.00 0.00 C ATOM 371 OH TYR A 23 -13.092 -5.716 6.809 1.00 0.00 O ATOM 0 H TYR A 23 -9.030 -0.965 3.091 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.522 -3.139 1.296 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.593 -4.193 3.000 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.615 -2.722 3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.663 -5.671 3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.085 -2.511 5.812 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.322 -6.691 4.504 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.768 -3.509 7.291 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.739 -5.029 7.073 1.00 0.00 H new ATOM 381 N SER A 24 -12.027 -1.600 2.662 1.00 0.00 N ATOM 382 CA SER A 24 -13.483 -1.550 2.712 1.00 0.00 C ATOM 383 C SER A 24 -14.039 -2.027 1.380 1.00 0.00 C ATOM 384 O SER A 24 -15.059 -2.715 1.320 1.00 0.00 O ATOM 385 CB SER A 24 -13.967 -0.131 3.014 1.00 0.00 C ATOM 386 OG SER A 24 -13.106 0.836 2.438 1.00 0.00 O ATOM 0 H SER A 24 -11.559 -0.741 2.952 1.00 0.00 H new ATOM 0 HA SER A 24 -13.838 -2.200 3.512 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.978 0.002 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.016 0.018 4.093 1.00 0.00 H new ATOM 0 HG SER A 24 -13.438 1.734 2.645 1.00 0.00 H new ATOM 392 N ALA A 25 -13.320 -1.689 0.314 1.00 0.00 N ATOM 393 CA ALA A 25 -13.690 -2.110 -1.023 1.00 0.00 C ATOM 394 C ALA A 25 -13.179 -3.524 -1.253 1.00 0.00 C ATOM 395 O ALA A 25 -13.811 -4.323 -1.945 1.00 0.00 O ATOM 396 CB ALA A 25 -13.126 -1.155 -2.064 1.00 0.00 C ATOM 0 H ALA A 25 -12.474 -1.121 0.356 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.776 -2.097 -1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.416 -1.490 -3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.519 -0.153 -1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.039 -1.136 -1.990 1.00 0.00 H new ATOM 402 N ALA A 26 -12.035 -3.833 -0.639 1.00 0.00 N ATOM 403 CA ALA A 26 -11.450 -5.158 -0.750 1.00 0.00 C ATOM 404 C ALA A 26 -12.274 -6.175 0.036 1.00 0.00 C ATOM 405 O ALA A 26 -12.157 -7.379 -0.180 1.00 0.00 O ATOM 406 CB ALA A 26 -10.013 -5.144 -0.252 1.00 0.00 C ATOM 0 H ALA A 26 -11.502 -3.182 -0.063 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.453 -5.450 -1.800 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.587 -6.143 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.427 -4.446 -0.850 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.993 -4.833 0.792 1.00 0.00 H new ATOM 412 N SER A 27 -13.111 -5.680 0.949 1.00 0.00 N ATOM 413 CA SER A 27 -13.958 -6.543 1.762 1.00 0.00 C ATOM 414 C SER A 27 -15.087 -7.120 0.919 1.00 0.00 C ATOM 415 O SER A 27 -15.358 -8.320 0.963 1.00 0.00 O ATOM 416 CB SER A 27 -14.532 -5.765 2.947 1.00 0.00 C ATOM 417 OG SER A 27 -14.644 -6.591 4.093 1.00 0.00 O ATOM 0 H SER A 27 -13.218 -4.684 1.141 1.00 0.00 H new ATOM 0 HA SER A 27 -13.350 -7.363 2.144 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.891 -4.912 3.171 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.512 -5.367 2.684 1.00 0.00 H new ATOM 0 HG SER A 27 -13.970 -6.327 4.754 1.00 0.00 H new ATOM 423 N LYS A 28 -15.732 -6.259 0.135 1.00 0.00 N ATOM 424 CA LYS A 28 -16.822 -6.689 -0.732 1.00 0.00 C ATOM 425 C LYS A 28 -16.357 -7.835 -1.623 1.00 0.00 C ATOM 426 O LYS A 28 -17.134 -8.723 -1.974 1.00 0.00 O ATOM 427 CB LYS A 28 -17.314 -5.522 -1.591 1.00 0.00 C ATOM 428 CG LYS A 28 -18.427 -4.716 -0.941 1.00 0.00 C ATOM 429 CD LYS A 28 -17.871 -3.589 -0.086 1.00 0.00 C ATOM 430 CE LYS A 28 -18.820 -3.228 1.045 1.00 0.00 C ATOM 431 NZ LYS A 28 -18.631 -4.109 2.231 1.00 0.00 N ATOM 0 H LYS A 28 -15.518 -5.263 0.083 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.648 -7.034 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.475 -4.860 -1.805 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.667 -5.909 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.077 -4.303 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.041 -5.373 -0.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.907 -3.886 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.694 -2.712 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.661 -2.189 1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.849 -3.307 0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.297 -3.830 2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.808 -5.098 1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.656 -4.015 2.582 1.00 0.00 H new ATOM 445 N GLN A 29 -15.074 -7.809 -1.970 1.00 0.00 N ATOM 446 CA GLN A 29 -14.484 -8.847 -2.803 1.00 0.00 C ATOM 447 C GLN A 29 -13.885 -9.944 -1.932 1.00 0.00 C ATOM 448 O GLN A 29 -13.981 -11.128 -2.259 1.00 0.00 O ATOM 449 CB GLN A 29 -13.407 -8.253 -3.714 1.00 0.00 C ATOM 450 CG GLN A 29 -13.946 -7.244 -4.716 1.00 0.00 C ATOM 451 CD GLN A 29 -13.063 -7.111 -5.941 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.167 -7.895 -6.885 1.00 0.00 O ATOM 453 NE2 GLN A 29 -12.186 -6.114 -5.932 1.00 0.00 N ATOM 0 H GLN A 29 -14.423 -7.077 -1.685 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.268 -9.279 -3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.648 -7.771 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.914 -9.061 -4.254 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.947 -7.544 -5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.039 -6.272 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.134 -5.488 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.564 -5.974 -6.729 1.00 0.00 H new ATOM 462 N ASN A 30 -13.260 -9.535 -0.823 1.00 0.00 N ATOM 463 CA ASN A 30 -12.627 -10.460 0.119 1.00 0.00 C ATOM 464 C ASN A 30 -11.186 -10.708 -0.286 1.00 0.00 C ATOM 465 O ASN A 30 -10.668 -11.817 -0.152 1.00 0.00 O ATOM 466 CB ASN A 30 -13.387 -11.790 0.211 1.00 0.00 C ATOM 467 CG ASN A 30 -14.887 -11.596 0.319 1.00 0.00 C ATOM 468 OD1 ASN A 30 -15.649 -12.079 -0.519 1.00 0.00 O ATOM 469 ND2 ASN A 30 -15.320 -10.885 1.354 1.00 0.00 N ATOM 0 H ASN A 30 -13.179 -8.554 -0.555 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.653 -9.998 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.164 -12.393 -0.669 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.033 -12.348 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -16.319 -10.721 1.478 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.653 -10.503 2.025 1.00 0.00 H new ATOM 476 N LYS A 31 -10.545 -9.660 -0.787 1.00 0.00 N ATOM 477 CA LYS A 31 -9.162 -9.747 -1.219 1.00 0.00 C ATOM 478 C LYS A 31 -8.209 -9.310 -0.113 1.00 0.00 C ATOM 479 O LYS A 31 -7.049 -9.005 -0.380 1.00 0.00 O ATOM 480 CB LYS A 31 -8.943 -8.895 -2.470 1.00 0.00 C ATOM 481 CG LYS A 31 -9.058 -9.680 -3.767 1.00 0.00 C ATOM 482 CD LYS A 31 -10.452 -9.567 -4.365 1.00 0.00 C ATOM 483 CE LYS A 31 -10.436 -9.818 -5.864 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.756 -8.720 -6.605 1.00 0.00 N ATOM 0 H LYS A 31 -10.965 -8.738 -0.903 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.949 -10.790 -1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.671 -8.084 -2.480 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.956 -8.436 -2.419 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.323 -9.312 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.825 -10.728 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.116 -10.284 -3.882 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.856 -8.574 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.930 -10.761 -6.068 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.459 -9.920 -6.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.826 -8.896 -7.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.212 -7.813 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.754 -8.683 -6.328 1.00 0.00 H new ATOM 498 N LEU A 32 -8.692 -9.297 1.134 1.00 0.00 N ATOM 499 CA LEU A 32 -7.863 -8.915 2.278 1.00 0.00 C ATOM 500 C LEU A 32 -6.472 -9.519 2.144 1.00 0.00 C ATOM 501 O LEU A 32 -5.478 -8.910 2.528 1.00 0.00 O ATOM 502 CB LEU A 32 -8.521 -9.388 3.571 1.00 0.00 C ATOM 503 CG LEU A 32 -9.591 -8.444 4.104 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.355 -9.083 5.250 1.00 0.00 C ATOM 505 CD2 LEU A 32 -8.955 -7.137 4.537 1.00 0.00 C ATOM 0 H LEU A 32 -9.651 -9.546 1.375 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.769 -7.829 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.967 -10.368 3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.752 -9.515 4.333 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.305 -8.238 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.113 -8.389 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.836 -9.997 4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.665 -9.322 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.725 -6.466 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.223 -7.331 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.459 -6.674 3.684 1.00 0.00 H new ATOM 517 N GLU A 33 -6.416 -10.714 1.566 1.00 0.00 N ATOM 518 CA GLU A 33 -5.149 -11.400 1.347 1.00 0.00 C ATOM 519 C GLU A 33 -4.426 -10.787 0.153 1.00 0.00 C ATOM 520 O GLU A 33 -3.220 -10.544 0.198 1.00 0.00 O ATOM 521 CB GLU A 33 -5.383 -12.894 1.110 1.00 0.00 C ATOM 522 CG GLU A 33 -5.626 -13.682 2.386 1.00 0.00 C ATOM 523 CD GLU A 33 -7.100 -13.818 2.716 1.00 0.00 C ATOM 524 OE1 GLU A 33 -7.919 -13.839 1.775 1.00 0.00 O ATOM 525 OE2 GLU A 33 -7.434 -13.902 3.917 1.00 0.00 O ATOM 0 H GLU A 33 -7.235 -11.228 1.240 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.530 -11.283 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.240 -13.018 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.518 -13.311 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.187 -14.675 2.285 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.116 -13.191 3.215 1.00 0.00 H new ATOM 532 N GLN A 34 -5.183 -10.523 -0.909 1.00 0.00 N ATOM 533 CA GLN A 34 -4.634 -9.918 -2.116 1.00 0.00 C ATOM 534 C GLN A 34 -4.223 -8.470 -1.858 1.00 0.00 C ATOM 535 O GLN A 34 -3.427 -7.902 -2.603 1.00 0.00 O ATOM 536 CB GLN A 34 -5.655 -9.980 -3.255 1.00 0.00 C ATOM 537 CG GLN A 34 -5.240 -10.901 -4.391 1.00 0.00 C ATOM 538 CD GLN A 34 -4.640 -10.149 -5.564 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.997 -10.388 -6.717 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.720 -9.235 -5.274 1.00 0.00 N ATOM 0 H GLN A 34 -6.183 -10.720 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.747 -10.482 -2.406 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.612 -10.316 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.809 -8.976 -3.650 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.515 -11.625 -4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.108 -11.465 -4.732 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.454 -9.069 -4.303 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.280 -8.699 -6.022 1.00 0.00 H new ATOM 549 N VAL A 35 -4.768 -7.882 -0.795 1.00 0.00 N ATOM 550 CA VAL A 35 -4.451 -6.504 -0.437 1.00 0.00 C ATOM 551 C VAL A 35 -3.471 -6.468 0.733 1.00 0.00 C ATOM 552 O VAL A 35 -2.686 -5.531 0.869 1.00 0.00 O ATOM 553 CB VAL A 35 -5.714 -5.694 -0.052 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.589 -4.260 -0.539 1.00 0.00 C ATOM 555 CG2 VAL A 35 -6.991 -6.338 -0.596 1.00 0.00 C ATOM 0 H VAL A 35 -5.430 -8.339 -0.168 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.003 -6.047 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.788 -5.694 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.483 -3.702 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.715 -3.795 -0.082 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.478 -4.252 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.854 -5.739 -0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.937 -6.391 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.093 -7.344 -0.189 1.00 0.00 H new ATOM 565 N GLU A 36 -3.522 -7.501 1.571 1.00 0.00 N ATOM 566 CA GLU A 36 -2.637 -7.593 2.729 1.00 0.00 C ATOM 567 C GLU A 36 -1.237 -7.976 2.281 1.00 0.00 C ATOM 568 O GLU A 36 -0.255 -7.328 2.647 1.00 0.00 O ATOM 569 CB GLU A 36 -3.163 -8.619 3.737 1.00 0.00 C ATOM 570 CG GLU A 36 -2.231 -8.853 4.916 1.00 0.00 C ATOM 571 CD GLU A 36 -1.443 -10.142 4.790 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.691 -10.284 3.802 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.579 -11.010 5.679 1.00 0.00 O ATOM 0 H GLU A 36 -4.166 -8.285 1.470 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.605 -6.619 3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.130 -8.284 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.330 -9.566 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.539 -8.015 4.999 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.814 -8.877 5.836 1.00 0.00 H new ATOM 580 N LYS A 37 -1.156 -9.017 1.460 1.00 0.00 N ATOM 581 CA LYS A 37 0.121 -9.464 0.932 1.00 0.00 C ATOM 582 C LYS A 37 0.673 -8.389 0.015 1.00 0.00 C ATOM 583 O LYS A 37 1.886 -8.235 -0.132 1.00 0.00 O ATOM 584 CB LYS A 37 -0.037 -10.784 0.173 1.00 0.00 C ATOM 585 CG LYS A 37 1.281 -11.487 -0.105 1.00 0.00 C ATOM 586 CD LYS A 37 1.067 -12.801 -0.839 1.00 0.00 C ATOM 587 CE LYS A 37 0.967 -13.969 0.128 1.00 0.00 C ATOM 588 NZ LYS A 37 2.306 -14.527 0.465 1.00 0.00 N ATOM 0 H LYS A 37 -1.959 -9.564 1.148 1.00 0.00 H new ATOM 0 HA LYS A 37 0.813 -9.636 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.680 -11.450 0.749 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.543 -10.591 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.923 -10.837 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.800 -11.674 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.156 -12.742 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.891 -12.970 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.469 -13.643 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.348 -14.751 -0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.194 -15.322 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.771 -14.862 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.889 -13.788 0.907 1.00 0.00 H new ATOM 602 N GLU A 38 -0.241 -7.627 -0.579 1.00 0.00 N ATOM 603 CA GLU A 38 0.123 -6.539 -1.460 1.00 0.00 C ATOM 604 C GLU A 38 0.303 -5.247 -0.662 1.00 0.00 C ATOM 605 O GLU A 38 0.357 -4.156 -1.225 1.00 0.00 O ATOM 606 CB GLU A 38 -0.954 -6.363 -2.524 1.00 0.00 C ATOM 607 CG GLU A 38 -0.855 -7.362 -3.666 1.00 0.00 C ATOM 608 CD GLU A 38 -0.766 -8.797 -3.182 1.00 0.00 C ATOM 609 OE1 GLU A 38 0.278 -9.164 -2.602 1.00 0.00 O ATOM 610 OE2 GLU A 38 -1.738 -9.554 -3.386 1.00 0.00 O ATOM 0 H GLU A 38 -1.246 -7.751 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 38 1.069 -6.773 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.934 -6.456 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.890 -5.353 -2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.725 -7.255 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.023 -7.131 -4.270 1.00 0.00 H new ATOM 617 N LEU A 39 0.407 -5.383 0.657 1.00 0.00 N ATOM 618 CA LEU A 39 0.601 -4.240 1.533 1.00 0.00 C ATOM 619 C LEU A 39 2.004 -4.287 2.117 1.00 0.00 C ATOM 620 O LEU A 39 2.660 -3.259 2.279 1.00 0.00 O ATOM 621 CB LEU A 39 -0.447 -4.237 2.650 1.00 0.00 C ATOM 622 CG LEU A 39 -1.273 -2.954 2.764 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.413 -2.960 1.756 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.812 -2.791 4.178 1.00 0.00 C ATOM 0 H LEU A 39 0.359 -6.280 1.141 1.00 0.00 H new ATOM 0 HA LEU A 39 0.483 -3.322 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.126 -5.075 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.058 -4.411 3.600 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.624 -2.107 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.989 -2.040 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.006 -3.029 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.062 -3.815 1.945 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.397 -1.873 4.241 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.445 -3.643 4.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.980 -2.740 4.881 1.00 0.00 H new ATOM 636 N LEU A 40 2.466 -5.500 2.411 1.00 0.00 N ATOM 637 CA LEU A 40 3.801 -5.695 2.954 1.00 0.00 C ATOM 638 C LEU A 40 4.849 -5.426 1.880 1.00 0.00 C ATOM 639 O LEU A 40 5.976 -5.034 2.182 1.00 0.00 O ATOM 640 CB LEU A 40 3.955 -7.118 3.494 1.00 0.00 C ATOM 641 CG LEU A 40 5.140 -7.328 4.439 1.00 0.00 C ATOM 642 CD1 LEU A 40 4.804 -6.827 5.834 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.536 -8.795 4.477 1.00 0.00 C ATOM 0 H LEU A 40 1.933 -6.360 2.281 1.00 0.00 H new ATOM 0 HA LEU A 40 3.948 -4.993 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.039 -7.393 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.057 -7.801 2.651 1.00 0.00 H new ATOM 0 HG LEU A 40 5.987 -6.754 4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.658 -6.984 6.493 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.569 -5.763 5.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.943 -7.373 6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.380 -8.927 5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.693 -9.390 4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.819 -9.122 3.476 1.00 0.00 H new ATOM 655 N ARG A 41 4.467 -5.633 0.621 1.00 0.00 N ATOM 656 CA ARG A 41 5.372 -5.404 -0.497 1.00 0.00 C ATOM 657 C ARG A 41 5.712 -3.923 -0.614 1.00 0.00 C ATOM 658 O ARG A 41 6.865 -3.557 -0.839 1.00 0.00 O ATOM 659 CB ARG A 41 4.746 -5.902 -1.801 1.00 0.00 C ATOM 660 CG ARG A 41 4.672 -7.417 -1.901 1.00 0.00 C ATOM 661 CD ARG A 41 6.043 -8.054 -1.735 1.00 0.00 C ATOM 662 NE ARG A 41 6.183 -9.270 -2.532 1.00 0.00 N ATOM 663 CZ ARG A 41 7.320 -9.949 -2.655 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.419 -9.536 -2.035 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.360 -11.046 -3.399 1.00 0.00 N ATOM 0 H ARG A 41 3.538 -5.958 0.353 1.00 0.00 H new ATOM 0 HA ARG A 41 6.291 -5.961 -0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.741 -5.491 -1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.324 -5.519 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.996 -7.801 -1.136 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.253 -7.699 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.812 -7.339 -2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.208 -8.289 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 41 5.360 -9.619 -3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.394 -8.694 -1.460 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.288 -10.061 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.519 -11.369 -3.877 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.232 -11.567 -3.493 1.00 0.00 H new ATOM 679 N VAL A 42 4.701 -3.074 -0.453 1.00 0.00 N ATOM 680 CA VAL A 42 4.897 -1.631 -0.534 1.00 0.00 C ATOM 681 C VAL A 42 5.863 -1.150 0.545 1.00 0.00 C ATOM 682 O VAL A 42 6.479 -0.091 0.413 1.00 0.00 O ATOM 683 CB VAL A 42 3.561 -0.873 -0.397 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.776 0.627 -0.532 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.559 -1.366 -1.430 1.00 0.00 C ATOM 0 H VAL A 42 3.740 -3.360 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 42 5.321 -1.420 -1.516 1.00 0.00 H new ATOM 0 HB VAL A 42 3.157 -1.070 0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.821 1.142 -0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.456 0.969 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.206 0.846 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.622 -0.820 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.958 -1.201 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.378 -2.431 -1.282 1.00 0.00 H new ATOM 695 N GLY A 43 5.997 -1.935 1.609 1.00 0.00 N ATOM 696 CA GLY A 43 6.894 -1.575 2.689 1.00 0.00 C ATOM 697 C GLY A 43 8.335 -1.909 2.363 1.00 0.00 C ATOM 698 O GLY A 43 9.245 -1.144 2.682 1.00 0.00 O ATOM 0 H GLY A 43 5.499 -2.815 1.742 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.806 -0.508 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.597 -2.099 3.597 1.00 0.00 H new ATOM 702 N GLN A 44 8.541 -3.052 1.719 1.00 0.00 N ATOM 703 CA GLN A 44 9.878 -3.486 1.339 1.00 0.00 C ATOM 704 C GLN A 44 10.426 -2.611 0.217 1.00 0.00 C ATOM 705 O GLN A 44 11.634 -2.398 0.115 1.00 0.00 O ATOM 706 CB GLN A 44 9.858 -4.950 0.897 1.00 0.00 C ATOM 707 CG GLN A 44 9.629 -5.928 2.038 1.00 0.00 C ATOM 708 CD GLN A 44 10.184 -7.307 1.746 1.00 0.00 C ATOM 709 OE1 GLN A 44 9.454 -8.209 1.333 1.00 0.00 O ATOM 710 NE2 GLN A 44 11.484 -7.480 1.958 1.00 0.00 N ATOM 0 H GLN A 44 7.797 -3.695 1.449 1.00 0.00 H new ATOM 0 HA GLN A 44 10.529 -3.389 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.074 -5.085 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.805 -5.187 0.411 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.093 -5.538 2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.560 -6.005 2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.052 -6.705 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 44 11.914 -8.387 1.778 1.00 0.00 H new ATOM 719 N ILE A 45 9.526 -2.099 -0.619 1.00 0.00 N ATOM 720 CA ILE A 45 9.915 -1.242 -1.729 1.00 0.00 C ATOM 721 C ILE A 45 10.528 0.058 -1.217 1.00 0.00 C ATOM 722 O ILE A 45 11.521 0.544 -1.757 1.00 0.00 O ATOM 723 CB ILE A 45 8.707 -0.925 -2.637 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.112 -2.218 -3.194 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.107 0.006 -3.776 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.632 -2.124 -3.495 1.00 0.00 C ATOM 0 H ILE A 45 8.522 -2.265 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 45 10.660 -1.780 -2.315 1.00 0.00 H new ATOM 0 HB ILE A 45 7.953 -0.418 -2.035 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.643 -2.489 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.278 -3.023 -2.478 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.237 0.213 -4.400 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.489 0.940 -3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.881 -0.468 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.279 -3.078 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.089 -1.884 -2.581 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.460 -1.342 -4.235 1.00 0.00 H new ATOM 738 N LEU A 46 9.932 0.612 -0.168 1.00 0.00 N ATOM 739 CA LEU A 46 10.423 1.852 0.421 1.00 0.00 C ATOM 740 C LEU A 46 11.693 1.597 1.225 1.00 0.00 C ATOM 741 O LEU A 46 12.609 2.418 1.237 1.00 0.00 O ATOM 742 CB LEU A 46 9.351 2.474 1.319 1.00 0.00 C ATOM 743 CG LEU A 46 9.645 3.900 1.793 1.00 0.00 C ATOM 744 CD1 LEU A 46 10.744 3.899 2.845 1.00 0.00 C ATOM 745 CD2 LEU A 46 10.030 4.787 0.617 1.00 0.00 C ATOM 0 H LEU A 46 9.109 0.223 0.292 1.00 0.00 H new ATOM 0 HA LEU A 46 10.655 2.547 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.404 2.476 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.218 1.837 2.194 1.00 0.00 H new ATOM 0 HG LEU A 46 8.739 4.304 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.938 4.921 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 46 10.429 3.301 3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.654 3.474 2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.235 5.796 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.921 4.385 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.210 4.816 -0.101 1.00 0.00 H new ATOM 757 N LYS A 47 11.738 0.450 1.894 1.00 0.00 N ATOM 758 CA LYS A 47 12.893 0.079 2.702 1.00 0.00 C ATOM 759 C LYS A 47 14.040 -0.406 1.821 1.00 0.00 C ATOM 760 O LYS A 47 15.207 -0.312 2.199 1.00 0.00 O ATOM 761 CB LYS A 47 12.512 -1.009 3.707 1.00 0.00 C ATOM 762 CG LYS A 47 13.593 -1.292 4.737 1.00 0.00 C ATOM 763 CD LYS A 47 13.614 -2.759 5.134 1.00 0.00 C ATOM 764 CE LYS A 47 14.652 -3.536 4.340 1.00 0.00 C ATOM 765 NZ LYS A 47 16.032 -3.289 4.840 1.00 0.00 N ATOM 0 H LYS A 47 10.986 -0.240 1.892 1.00 0.00 H new ATOM 0 HA LYS A 47 13.224 0.965 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.599 -0.711 4.223 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.287 -1.928 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.565 -1.009 4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.425 -0.677 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.829 -2.846 6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.628 -3.195 4.971 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.430 -4.602 4.398 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.591 -3.254 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.721 -3.590 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.155 -2.275 5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.186 -3.830 5.715 1.00 0.00 H new ATOM 779 N GLU A 48 13.702 -0.923 0.642 1.00 0.00 N ATOM 780 CA GLU A 48 14.708 -1.421 -0.289 1.00 0.00 C ATOM 781 C GLU A 48 15.714 -0.324 -0.639 1.00 0.00 C ATOM 782 O GLU A 48 15.363 0.661 -1.288 1.00 0.00 O ATOM 783 CB GLU A 48 14.039 -1.940 -1.563 1.00 0.00 C ATOM 784 CG GLU A 48 13.656 -3.409 -1.493 1.00 0.00 C ATOM 785 CD GLU A 48 14.641 -4.304 -2.219 1.00 0.00 C ATOM 786 OE1 GLU A 48 14.626 -4.312 -3.468 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.428 -4.996 -1.539 1.00 0.00 O ATOM 0 H GLU A 48 12.741 -1.007 0.310 1.00 0.00 H new ATOM 0 HA GLU A 48 15.242 -2.240 0.193 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.145 -1.349 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.714 -1.789 -2.405 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.594 -3.715 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.664 -3.543 -1.924 1.00 0.00 H new ATOM 794 N PRO A 49 16.983 -0.478 -0.216 1.00 0.00 N ATOM 795 CA PRO A 49 18.029 0.513 -0.495 1.00 0.00 C ATOM 796 C PRO A 49 18.130 0.845 -1.980 1.00 0.00 C ATOM 797 O PRO A 49 18.528 1.948 -2.352 1.00 0.00 O ATOM 798 CB PRO A 49 19.309 -0.171 -0.011 1.00 0.00 C ATOM 799 CG PRO A 49 18.853 -1.149 1.016 1.00 0.00 C ATOM 800 CD PRO A 49 17.497 -1.618 0.564 1.00 0.00 C ATOM 0 HA PRO A 49 17.829 1.465 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.825 -0.670 -0.831 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.007 0.551 0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.549 -1.984 1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.798 -0.685 2.001 1.00 0.00 H new ATOM 0 HD2 PRO A 49 17.566 -2.521 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.850 -1.850 1.410 1.00 0.00 H new ATOM 808 N LYS A 50 17.759 -0.113 -2.821 1.00 0.00 N ATOM 809 CA LYS A 50 17.801 0.084 -4.266 1.00 0.00 C ATOM 810 C LYS A 50 16.484 0.669 -4.773 1.00 0.00 C ATOM 811 O LYS A 50 16.306 0.868 -5.974 1.00 0.00 O ATOM 812 CB LYS A 50 18.091 -1.240 -4.974 1.00 0.00 C ATOM 813 CG LYS A 50 19.573 -1.519 -5.161 1.00 0.00 C ATOM 814 CD LYS A 50 20.248 -0.424 -5.970 1.00 0.00 C ATOM 815 CE LYS A 50 21.302 -0.993 -6.907 1.00 0.00 C ATOM 816 NZ LYS A 50 20.758 -1.238 -8.271 1.00 0.00 N ATOM 0 H LYS A 50 17.426 -1.032 -2.529 1.00 0.00 H new ATOM 0 HA LYS A 50 18.601 0.789 -4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 50 17.646 -2.054 -4.401 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.605 -1.235 -5.950 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.054 -1.602 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.703 -2.477 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 50 19.499 0.117 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.710 0.296 -5.295 1.00 0.00 H new ATOM 0 HE2 LYS A 50 22.143 -0.302 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.687 -1.927 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.507 -1.626 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.972 -1.917 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.414 -0.343 -8.673 1.00 0.00 H new ATOM 830 N MET A 51 15.563 0.938 -3.851 1.00 0.00 N ATOM 831 CA MET A 51 14.265 1.496 -4.203 1.00 0.00 C ATOM 832 C MET A 51 13.795 2.507 -3.157 1.00 0.00 C ATOM 833 O MET A 51 12.621 2.876 -3.124 1.00 0.00 O ATOM 834 CB MET A 51 13.237 0.370 -4.344 1.00 0.00 C ATOM 835 CG MET A 51 11.940 0.800 -5.010 1.00 0.00 C ATOM 836 SD MET A 51 12.200 1.578 -6.615 1.00 0.00 S ATOM 837 CE MET A 51 10.796 2.689 -6.679 1.00 0.00 C ATOM 0 H MET A 51 15.695 0.777 -2.852 1.00 0.00 H new ATOM 0 HA MET A 51 14.365 2.018 -5.155 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.679 -0.442 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 51 13.011 -0.029 -3.355 1.00 0.00 H new ATOM 0 HG2 MET A 51 11.295 -0.070 -5.134 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.415 1.496 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.096 2.347 -7.441 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.299 2.703 -5.709 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.138 3.694 -6.926 1.00 0.00 H new ATOM 847 N ALA A 52 14.714 2.954 -2.303 1.00 0.00 N ATOM 848 CA ALA A 52 14.381 3.920 -1.263 1.00 0.00 C ATOM 849 C ALA A 52 14.621 5.347 -1.742 1.00 0.00 C ATOM 850 O ALA A 52 13.835 6.249 -1.455 1.00 0.00 O ATOM 851 CB ALA A 52 15.190 3.641 -0.005 1.00 0.00 C ATOM 0 H ALA A 52 15.691 2.663 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 52 13.321 3.816 -1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.931 4.370 0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.966 2.637 0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.253 3.716 -0.232 1.00 0.00 H new ATOM 857 N ALA A 53 15.712 5.544 -2.474 1.00 0.00 N ATOM 858 CA ALA A 53 16.056 6.862 -2.993 1.00 0.00 C ATOM 859 C ALA A 53 15.071 7.303 -4.071 1.00 0.00 C ATOM 860 O ALA A 53 14.819 8.495 -4.246 1.00 0.00 O ATOM 861 CB ALA A 53 17.475 6.858 -3.543 1.00 0.00 C ATOM 0 H ALA A 53 16.373 4.808 -2.721 1.00 0.00 H new ATOM 0 HA ALA A 53 15.997 7.575 -2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.719 7.848 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.173 6.595 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.551 6.127 -4.348 1.00 0.00 H new ATOM 867 N SER A 54 14.516 6.334 -4.792 1.00 0.00 N ATOM 868 CA SER A 54 13.559 6.623 -5.853 1.00 0.00 C ATOM 869 C SER A 54 12.188 6.967 -5.278 1.00 0.00 C ATOM 870 O SER A 54 11.390 7.648 -5.922 1.00 0.00 O ATOM 871 CB SER A 54 13.441 5.431 -6.801 1.00 0.00 C ATOM 872 OG SER A 54 14.608 4.628 -6.762 1.00 0.00 O ATOM 0 H SER A 54 14.713 5.342 -4.660 1.00 0.00 H new ATOM 0 HA SER A 54 13.925 7.487 -6.408 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.574 4.830 -6.528 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.275 5.787 -7.818 1.00 0.00 H new ATOM 0 HG SER A 54 14.505 3.871 -7.376 1.00 0.00 H new ATOM 878 N LEU A 55 11.923 6.499 -4.063 1.00 0.00 N ATOM 879 CA LEU A 55 10.649 6.767 -3.404 1.00 0.00 C ATOM 880 C LEU A 55 10.760 7.988 -2.495 1.00 0.00 C ATOM 881 O LEU A 55 10.048 8.102 -1.498 1.00 0.00 O ATOM 882 CB LEU A 55 10.202 5.549 -2.593 1.00 0.00 C ATOM 883 CG LEU A 55 9.748 4.350 -3.427 1.00 0.00 C ATOM 884 CD1 LEU A 55 9.560 3.126 -2.543 1.00 0.00 C ATOM 885 CD2 LEU A 55 8.461 4.673 -4.172 1.00 0.00 C ATOM 0 H LEU A 55 12.571 5.933 -3.515 1.00 0.00 H new ATOM 0 HA LEU A 55 9.904 6.972 -4.172 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.026 5.236 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.384 5.848 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 55 10.523 4.129 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.237 2.283 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.504 2.881 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.805 3.337 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.154 3.808 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.678 4.921 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.628 5.522 -4.835 1.00 0.00 H new ATOM 897 N LEU A 56 11.663 8.896 -2.850 1.00 0.00 N ATOM 898 CA LEU A 56 11.879 10.111 -2.074 1.00 0.00 C ATOM 899 C LEU A 56 12.471 11.218 -2.946 1.00 0.00 C ATOM 900 O LEU A 56 12.171 12.396 -2.754 1.00 0.00 O ATOM 901 CB LEU A 56 12.806 9.828 -0.891 1.00 0.00 C ATOM 902 CG LEU A 56 12.994 10.996 0.079 1.00 0.00 C ATOM 903 CD1 LEU A 56 13.181 10.487 1.499 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.179 11.852 -0.343 1.00 0.00 C ATOM 0 H LEU A 56 12.259 8.812 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 56 10.913 10.447 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.413 8.975 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.783 9.535 -1.276 1.00 0.00 H new ATOM 0 HG LEU A 56 12.096 11.613 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.313 11.332 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.302 9.916 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.062 9.847 1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.299 12.678 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 56 15.084 11.245 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.004 12.247 -1.344 1.00 0.00 H new ATOM 916 N ASN A 57 13.312 10.832 -3.904 1.00 0.00 N ATOM 917 CA ASN A 57 13.944 11.794 -4.802 1.00 0.00 C ATOM 918 C ASN A 57 12.900 12.689 -5.470 1.00 0.00 C ATOM 919 O ASN A 57 11.771 12.265 -5.715 1.00 0.00 O ATOM 920 CB ASN A 57 14.763 11.063 -5.868 1.00 0.00 C ATOM 921 CG ASN A 57 13.906 10.174 -6.747 1.00 0.00 C ATOM 922 OD1 ASN A 57 12.977 9.522 -6.270 1.00 0.00 O ATOM 923 ND2 ASN A 57 14.217 10.141 -8.037 1.00 0.00 N ATOM 0 H ASN A 57 13.571 9.861 -4.077 1.00 0.00 H new ATOM 0 HA ASN A 57 14.607 12.424 -4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.280 11.794 -6.490 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.529 10.459 -5.382 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.677 9.558 -8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.996 10.698 -8.388 1.00 0.00 H new ATOM 930 N PRO A 58 13.267 13.948 -5.773 1.00 0.00 N ATOM 931 CA PRO A 58 12.358 14.904 -6.412 1.00 0.00 C ATOM 932 C PRO A 58 12.168 14.635 -7.903 1.00 0.00 C ATOM 933 O PRO A 58 11.395 15.322 -8.571 1.00 0.00 O ATOM 934 CB PRO A 58 13.061 16.243 -6.198 1.00 0.00 C ATOM 935 CG PRO A 58 14.509 15.901 -6.144 1.00 0.00 C ATOM 936 CD PRO A 58 14.595 14.536 -5.511 1.00 0.00 C ATOM 0 HA PRO A 58 11.354 14.853 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.847 16.937 -7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 58 12.732 16.721 -5.275 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.945 15.895 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.061 16.637 -5.559 1.00 0.00 H new ATOM 0 HD2 PRO A 58 15.392 13.939 -5.953 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.801 14.602 -4.443 1.00 0.00 H new ATOM 944 N TYR A 59 12.877 13.636 -8.424 1.00 0.00 N ATOM 945 CA TYR A 59 12.780 13.288 -9.837 1.00 0.00 C ATOM 946 C TYR A 59 11.680 12.257 -10.073 1.00 0.00 C ATOM 947 O TYR A 59 11.082 12.211 -11.148 1.00 0.00 O ATOM 948 CB TYR A 59 14.119 12.749 -10.342 1.00 0.00 C ATOM 949 CG TYR A 59 15.288 13.663 -10.050 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.855 13.714 -8.783 1.00 0.00 C ATOM 951 CD2 TYR A 59 15.823 14.475 -11.042 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.922 14.549 -8.512 1.00 0.00 C ATOM 953 CE2 TYR A 59 16.891 15.312 -10.779 1.00 0.00 C ATOM 954 CZ TYR A 59 17.435 15.346 -9.513 1.00 0.00 C ATOM 955 OH TYR A 59 18.498 16.179 -9.247 1.00 0.00 O ATOM 0 H TYR A 59 13.523 13.055 -7.889 1.00 0.00 H new ATOM 0 HA TYR A 59 12.527 14.192 -10.391 1.00 0.00 H new ATOM 0 HB2 TYR A 59 14.306 11.777 -9.885 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.054 12.588 -11.418 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.455 13.091 -7.997 1.00 0.00 H new ATOM 0 HD2 TYR A 59 15.398 14.452 -12.034 1.00 0.00 H new ATOM 0 HE1 TYR A 59 17.352 14.577 -7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.297 15.936 -11.561 1.00 0.00 H new ATOM 0 HH TYR A 59 18.739 16.671 -10.059 1.00 0.00 H new ATOM 965 N VAL A 60 11.420 11.433 -9.065 1.00 0.00 N ATOM 966 CA VAL A 60 10.392 10.403 -9.164 1.00 0.00 C ATOM 967 C VAL A 60 9.027 11.012 -9.473 1.00 0.00 C ATOM 968 O VAL A 60 8.175 10.368 -10.085 1.00 0.00 O ATOM 969 CB VAL A 60 10.297 9.578 -7.865 1.00 0.00 C ATOM 970 CG1 VAL A 60 9.907 10.465 -6.691 1.00 0.00 C ATOM 971 CG2 VAL A 60 9.310 8.432 -8.029 1.00 0.00 C ATOM 0 H VAL A 60 11.907 11.458 -8.169 1.00 0.00 H new ATOM 0 HA VAL A 60 10.682 9.744 -9.982 1.00 0.00 H new ATOM 0 HB VAL A 60 11.279 9.154 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.846 9.863 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.657 11.244 -6.559 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.938 10.924 -6.888 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.257 7.862 -7.102 1.00 0.00 H new ATOM 0 HG22 VAL A 60 8.324 8.832 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.641 7.780 -8.837 1.00 0.00 H new ATOM 981 N LYS A 61 8.825 12.254 -9.047 1.00 0.00 N ATOM 982 CA LYS A 61 7.563 12.946 -9.281 1.00 0.00 C ATOM 983 C LYS A 61 6.401 12.185 -8.651 1.00 0.00 C ATOM 984 O LYS A 61 6.599 11.170 -7.983 1.00 0.00 O ATOM 985 CB LYS A 61 7.322 13.118 -10.781 1.00 0.00 C ATOM 986 CG LYS A 61 7.873 14.419 -11.341 1.00 0.00 C ATOM 987 CD LYS A 61 6.806 15.500 -11.390 1.00 0.00 C ATOM 988 CE LYS A 61 5.828 15.266 -12.530 1.00 0.00 C ATOM 989 NZ LYS A 61 4.861 16.389 -12.673 1.00 0.00 N ATOM 0 H LYS A 61 9.519 12.802 -8.538 1.00 0.00 H new ATOM 0 HA LYS A 61 7.625 13.930 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.778 12.282 -11.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.250 13.073 -10.976 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.707 14.757 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.265 14.248 -12.343 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.265 15.522 -10.444 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.279 16.475 -11.509 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.380 15.142 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.283 14.338 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.212 16.190 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.316 16.492 -11.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.379 17.270 -12.865 1.00 0.00 H new ATOM 1003 N ARG A 62 5.187 12.683 -8.866 1.00 0.00 N ATOM 1004 CA ARG A 62 3.993 12.050 -8.320 1.00 0.00 C ATOM 1005 C ARG A 62 3.248 11.269 -9.397 1.00 0.00 C ATOM 1006 O ARG A 62 2.763 10.164 -9.153 1.00 0.00 O ATOM 1007 CB ARG A 62 3.068 13.103 -7.707 1.00 0.00 C ATOM 1008 CG ARG A 62 1.859 12.512 -6.999 1.00 0.00 C ATOM 1009 CD ARG A 62 0.723 13.519 -6.903 1.00 0.00 C ATOM 1010 NE ARG A 62 0.734 14.237 -5.631 1.00 0.00 N ATOM 1011 CZ ARG A 62 -0.305 14.921 -5.156 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -1.438 14.983 -5.845 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -0.211 15.545 -3.990 1.00 0.00 N ATOM 0 H ARG A 62 5.005 13.523 -9.415 1.00 0.00 H new ATOM 0 HA ARG A 62 4.306 11.353 -7.543 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.636 13.705 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.725 13.776 -8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.518 11.627 -7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.145 12.187 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.801 14.233 -7.723 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.230 13.003 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 62 1.588 14.213 -5.074 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.516 14.505 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.231 15.508 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.657 15.501 -3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.007 16.069 -3.626 1.00 0.00 H new ATOM 1027 N SER A 63 3.162 11.850 -10.590 1.00 0.00 N ATOM 1028 CA SER A 63 2.476 11.207 -11.704 1.00 0.00 C ATOM 1029 C SER A 63 3.358 10.140 -12.345 1.00 0.00 C ATOM 1030 O SER A 63 2.886 9.059 -12.697 1.00 0.00 O ATOM 1031 CB SER A 63 2.075 12.248 -12.752 1.00 0.00 C ATOM 1032 OG SER A 63 1.097 13.136 -12.238 1.00 0.00 O ATOM 0 H SER A 63 3.559 12.764 -10.809 1.00 0.00 H new ATOM 0 HA SER A 63 1.578 10.726 -11.315 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.954 12.811 -13.065 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.686 11.746 -13.638 1.00 0.00 H new ATOM 0 HG SER A 63 0.858 13.793 -12.925 1.00 0.00 H new ATOM 1038 N VAL A 64 4.643 10.450 -12.493 1.00 0.00 N ATOM 1039 CA VAL A 64 5.589 9.517 -13.091 1.00 0.00 C ATOM 1040 C VAL A 64 5.648 8.214 -12.300 1.00 0.00 C ATOM 1041 O VAL A 64 5.631 7.126 -12.877 1.00 0.00 O ATOM 1042 CB VAL A 64 7.003 10.122 -13.170 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.931 9.214 -13.962 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.954 11.513 -13.785 1.00 0.00 C ATOM 0 H VAL A 64 5.051 11.340 -12.207 1.00 0.00 H new ATOM 0 HA VAL A 64 5.235 9.311 -14.101 1.00 0.00 H new ATOM 0 HB VAL A 64 7.397 10.210 -12.158 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.925 9.659 -14.006 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.991 8.241 -13.475 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.543 9.090 -14.973 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.962 11.925 -13.833 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.539 11.452 -14.791 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.326 12.160 -13.172 1.00 0.00 H new ATOM 1054 N LYS A 65 5.716 8.331 -10.978 1.00 0.00 N ATOM 1055 CA LYS A 65 5.774 7.159 -10.109 1.00 0.00 C ATOM 1056 C LYS A 65 4.583 6.239 -10.361 1.00 0.00 C ATOM 1057 O LYS A 65 4.683 5.022 -10.206 1.00 0.00 O ATOM 1058 CB LYS A 65 5.806 7.588 -8.639 1.00 0.00 C ATOM 1059 CG LYS A 65 5.818 6.424 -7.660 1.00 0.00 C ATOM 1060 CD LYS A 65 7.237 5.986 -7.330 1.00 0.00 C ATOM 1061 CE LYS A 65 7.967 5.484 -8.565 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.996 4.462 -8.227 1.00 0.00 N ATOM 0 H LYS A 65 5.732 9.224 -10.485 1.00 0.00 H new ATOM 0 HA LYS A 65 6.688 6.610 -10.337 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.690 8.203 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.938 8.214 -8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.303 6.713 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.267 5.585 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.786 6.822 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.210 5.198 -6.577 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.247 5.057 -9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.443 6.324 -9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.044 3.754 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.923 4.923 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.741 3.995 -7.334 1.00 0.00 H new ATOM 1076 N VAL A 66 3.458 6.828 -10.752 1.00 0.00 N ATOM 1077 CA VAL A 66 2.251 6.060 -11.026 1.00 0.00 C ATOM 1078 C VAL A 66 2.491 5.046 -12.139 1.00 0.00 C ATOM 1079 O VAL A 66 2.092 3.885 -12.031 1.00 0.00 O ATOM 1080 CB VAL A 66 1.077 6.976 -11.424 1.00 0.00 C ATOM 1081 CG1 VAL A 66 -0.211 6.176 -11.547 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.917 8.104 -10.417 1.00 0.00 C ATOM 0 H VAL A 66 3.358 7.834 -10.886 1.00 0.00 H new ATOM 0 HA VAL A 66 1.993 5.535 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 66 1.298 7.415 -12.397 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.027 6.841 -11.829 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.090 5.407 -12.310 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.440 5.706 -10.591 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.084 8.741 -10.714 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.720 7.685 -9.430 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.832 8.695 -10.385 1.00 0.00 H new ATOM 1092 N LYS A 67 3.152 5.488 -13.204 1.00 0.00 N ATOM 1093 CA LYS A 67 3.451 4.614 -14.331 1.00 0.00 C ATOM 1094 C LYS A 67 4.555 3.628 -13.968 1.00 0.00 C ATOM 1095 O LYS A 67 4.585 2.502 -14.464 1.00 0.00 O ATOM 1096 CB LYS A 67 3.866 5.439 -15.550 1.00 0.00 C ATOM 1097 CG LYS A 67 2.696 6.079 -16.279 1.00 0.00 C ATOM 1098 CD LYS A 67 2.222 7.339 -15.573 1.00 0.00 C ATOM 1099 CE LYS A 67 1.549 8.300 -16.540 1.00 0.00 C ATOM 1100 NZ LYS A 67 2.514 9.282 -17.108 1.00 0.00 N ATOM 0 H LYS A 67 3.490 6.445 -13.310 1.00 0.00 H new ATOM 0 HA LYS A 67 2.549 4.053 -14.576 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.556 6.220 -15.232 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.409 4.798 -16.244 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.991 6.322 -17.300 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.874 5.367 -16.345 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.524 7.072 -14.779 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.070 7.833 -15.099 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.086 7.736 -17.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.749 8.833 -16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.016 9.919 -17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.937 9.838 -16.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.263 8.775 -17.621 1.00 0.00 H new ATOM 1114 N SER A 68 5.458 4.059 -13.093 1.00 0.00 N ATOM 1115 CA SER A 68 6.562 3.215 -12.655 1.00 0.00 C ATOM 1116 C SER A 68 6.083 2.185 -11.638 1.00 0.00 C ATOM 1117 O SER A 68 6.631 1.085 -11.549 1.00 0.00 O ATOM 1118 CB SER A 68 7.678 4.070 -12.049 1.00 0.00 C ATOM 1119 OG SER A 68 8.544 3.289 -11.245 1.00 0.00 O ATOM 0 H SER A 68 5.446 4.989 -12.674 1.00 0.00 H new ATOM 0 HA SER A 68 6.953 2.688 -13.525 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.249 4.546 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.242 4.869 -11.449 1.00 0.00 H new ATOM 0 HG SER A 68 9.399 3.756 -11.136 1.00 0.00 H new ATOM 1125 N LEU A 69 5.056 2.546 -10.875 1.00 0.00 N ATOM 1126 CA LEU A 69 4.504 1.651 -9.867 1.00 0.00 C ATOM 1127 C LEU A 69 3.658 0.561 -10.516 1.00 0.00 C ATOM 1128 O LEU A 69 3.664 -0.586 -10.074 1.00 0.00 O ATOM 1129 CB LEU A 69 3.660 2.440 -8.862 1.00 0.00 C ATOM 1130 CG LEU A 69 4.435 3.008 -7.672 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.598 4.042 -6.935 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.855 1.890 -6.729 1.00 0.00 C ATOM 0 H LEU A 69 4.590 3.451 -10.936 1.00 0.00 H new ATOM 0 HA LEU A 69 5.333 1.178 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.174 3.263 -9.386 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.870 1.791 -8.485 1.00 0.00 H new ATOM 0 HG LEU A 69 5.333 3.498 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.165 4.435 -6.091 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.346 4.857 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.682 3.576 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.405 2.311 -5.888 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.969 1.373 -6.361 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.492 1.184 -7.262 1.00 0.00 H new ATOM 1144 N SER A 70 2.932 0.928 -11.566 1.00 0.00 N ATOM 1145 CA SER A 70 2.082 -0.020 -12.276 1.00 0.00 C ATOM 1146 C SER A 70 2.917 -1.023 -13.061 1.00 0.00 C ATOM 1147 O SER A 70 2.489 -2.153 -13.296 1.00 0.00 O ATOM 1148 CB SER A 70 1.126 0.718 -13.215 1.00 0.00 C ATOM 1149 OG SER A 70 -0.012 1.191 -12.517 1.00 0.00 O ATOM 0 H SER A 70 2.915 1.875 -11.944 1.00 0.00 H new ATOM 0 HA SER A 70 1.498 -0.567 -11.536 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.644 1.556 -13.681 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.812 0.050 -14.018 1.00 0.00 H new ATOM 0 HG SER A 70 -0.606 1.660 -13.139 1.00 0.00 H new ATOM 1155 N ASP A 71 4.116 -0.612 -13.454 1.00 0.00 N ATOM 1156 CA ASP A 71 5.011 -1.490 -14.194 1.00 0.00 C ATOM 1157 C ASP A 71 5.925 -2.225 -13.227 1.00 0.00 C ATOM 1158 O ASP A 71 6.303 -3.373 -13.460 1.00 0.00 O ATOM 1159 CB ASP A 71 5.836 -0.694 -15.206 1.00 0.00 C ATOM 1160 CG ASP A 71 6.245 -1.528 -16.404 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.381 -2.761 -16.250 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.427 -0.951 -17.496 1.00 0.00 O ATOM 0 H ASP A 71 4.489 0.320 -13.273 1.00 0.00 H new ATOM 0 HA ASP A 71 4.413 -2.218 -14.743 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.258 0.165 -15.546 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.729 -0.304 -14.716 1.00 0.00 H new ATOM 1167 N MET A 72 6.256 -1.559 -12.127 1.00 0.00 N ATOM 1168 CA MET A 72 7.102 -2.152 -11.107 1.00 0.00 C ATOM 1169 C MET A 72 6.279 -3.071 -10.224 1.00 0.00 C ATOM 1170 O MET A 72 6.798 -4.048 -9.683 1.00 0.00 O ATOM 1171 CB MET A 72 7.776 -1.066 -10.264 1.00 0.00 C ATOM 1172 CG MET A 72 8.623 -1.612 -9.126 1.00 0.00 C ATOM 1173 SD MET A 72 9.209 -0.320 -8.014 1.00 0.00 S ATOM 1174 CE MET A 72 7.779 -0.110 -6.957 1.00 0.00 C ATOM 0 H MET A 72 5.950 -0.608 -11.922 1.00 0.00 H new ATOM 0 HA MET A 72 7.882 -2.735 -11.597 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.404 -0.454 -10.911 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.009 -0.410 -9.852 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.039 -2.337 -8.559 1.00 0.00 H new ATOM 0 HG3 MET A 72 9.479 -2.146 -9.539 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.756 0.911 -6.575 1.00 0.00 H new ATOM 0 HE2 MET A 72 6.872 -0.304 -7.529 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.838 -0.808 -6.122 1.00 0.00 H new ATOM 1184 N THR A 73 4.987 -2.776 -10.093 1.00 0.00 N ATOM 1185 CA THR A 73 4.122 -3.617 -9.288 1.00 0.00 C ATOM 1186 C THR A 73 4.010 -4.987 -9.926 1.00 0.00 C ATOM 1187 O THR A 73 3.856 -5.993 -9.232 1.00 0.00 O ATOM 1188 CB THR A 73 2.736 -3.012 -9.120 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.961 -3.839 -8.285 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.975 -2.857 -10.411 1.00 0.00 C ATOM 0 H THR A 73 4.528 -1.975 -10.527 1.00 0.00 H new ATOM 0 HA THR A 73 4.567 -3.701 -8.296 1.00 0.00 H new ATOM 0 HB THR A 73 2.899 -2.020 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.424 -3.967 -7.431 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.998 -2.419 -10.207 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.531 -2.205 -11.085 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.845 -3.834 -10.876 1.00 0.00 H new ATOM 1198 N ALA A 74 4.110 -5.028 -11.254 1.00 0.00 N ATOM 1199 CA ALA A 74 4.043 -6.291 -11.970 1.00 0.00 C ATOM 1200 C ALA A 74 4.993 -7.295 -11.331 1.00 0.00 C ATOM 1201 O ALA A 74 4.758 -8.503 -11.368 1.00 0.00 O ATOM 1202 CB ALA A 74 4.382 -6.091 -13.440 1.00 0.00 C ATOM 0 H ALA A 74 4.236 -4.207 -11.847 1.00 0.00 H new ATOM 0 HA ALA A 74 3.026 -6.679 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.327 -7.048 -13.960 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.672 -5.394 -13.886 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.391 -5.688 -13.529 1.00 0.00 H new ATOM 1208 N LYS A 75 6.065 -6.778 -10.730 1.00 0.00 N ATOM 1209 CA LYS A 75 7.045 -7.625 -10.066 1.00 0.00 C ATOM 1210 C LYS A 75 6.800 -7.673 -8.561 1.00 0.00 C ATOM 1211 O LYS A 75 7.217 -8.617 -7.890 1.00 0.00 O ATOM 1212 CB LYS A 75 8.463 -7.130 -10.354 1.00 0.00 C ATOM 1213 CG LYS A 75 9.075 -7.734 -11.608 1.00 0.00 C ATOM 1214 CD LYS A 75 10.529 -7.322 -11.772 1.00 0.00 C ATOM 1215 CE LYS A 75 11.259 -8.230 -12.748 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.694 -8.137 -14.122 1.00 0.00 N ATOM 0 H LYS A 75 6.273 -5.780 -10.691 1.00 0.00 H new ATOM 0 HA LYS A 75 6.937 -8.635 -10.461 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.447 -6.045 -10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.100 -7.362 -9.501 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.007 -8.821 -11.560 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.505 -7.417 -12.481 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.579 -6.292 -12.125 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.028 -7.351 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.316 -7.963 -12.771 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.198 -9.261 -12.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.230 -8.758 -14.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.697 -8.432 -14.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.760 -7.155 -14.459 1.00 0.00 H new ATOM 1230 N GLU A 76 6.119 -6.660 -8.029 1.00 0.00 N ATOM 1231 CA GLU A 76 5.827 -6.616 -6.604 1.00 0.00 C ATOM 1232 C GLU A 76 4.743 -7.627 -6.249 1.00 0.00 C ATOM 1233 O GLU A 76 4.996 -8.581 -5.515 1.00 0.00 O ATOM 1234 CB GLU A 76 5.384 -5.210 -6.193 1.00 0.00 C ATOM 1235 CG GLU A 76 6.441 -4.144 -6.436 1.00 0.00 C ATOM 1236 CD GLU A 76 7.635 -4.287 -5.511 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.455 -4.790 -4.383 1.00 0.00 O ATOM 1238 OE2 GLU A 76 8.750 -3.898 -5.918 1.00 0.00 O ATOM 0 H GLU A 76 5.763 -5.866 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 76 6.737 -6.872 -6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.481 -4.947 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.122 -5.215 -5.135 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.779 -4.201 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.996 -3.158 -6.300 1.00 0.00 H new ATOM 1245 N LYS A 77 3.542 -7.407 -6.790 1.00 0.00 N ATOM 1246 CA LYS A 77 2.388 -8.288 -6.557 1.00 0.00 C ATOM 1247 C LYS A 77 1.077 -7.550 -6.825 1.00 0.00 C ATOM 1248 O LYS A 77 0.115 -8.136 -7.321 1.00 0.00 O ATOM 1249 CB LYS A 77 2.368 -8.830 -5.118 1.00 0.00 C ATOM 1250 CG LYS A 77 2.427 -10.349 -5.036 1.00 0.00 C ATOM 1251 CD LYS A 77 3.652 -10.906 -5.744 1.00 0.00 C ATOM 1252 CE LYS A 77 3.387 -12.292 -6.308 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.158 -12.324 -7.149 1.00 0.00 N ATOM 0 H LYS A 77 3.339 -6.616 -7.401 1.00 0.00 H new ATOM 0 HA LYS A 77 2.487 -9.125 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.212 -8.412 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.462 -8.483 -4.621 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.441 -10.656 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.526 -10.772 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.945 -10.234 -6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.488 -10.950 -5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.243 -12.611 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.285 -13.004 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.255 -13.060 -7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.334 -12.534 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.027 -11.400 -7.607 1.00 0.00 H new ATOM 1267 N PHE A 78 1.040 -6.266 -6.469 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.156 -5.445 -6.642 1.00 0.00 C ATOM 1269 C PHE A 78 -0.767 -5.590 -8.010 1.00 0.00 C ATOM 1270 O PHE A 78 -0.243 -6.284 -8.881 1.00 0.00 O ATOM 1271 CB PHE A 78 0.143 -3.965 -6.423 1.00 0.00 C ATOM 1272 CG PHE A 78 1.215 -3.722 -5.424 1.00 0.00 C ATOM 1273 CD1 PHE A 78 1.129 -4.281 -4.167 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.315 -2.955 -5.750 1.00 0.00 C ATOM 1275 CE1 PHE A 78 2.132 -4.077 -3.243 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.321 -2.746 -4.837 1.00 0.00 C ATOM 1277 CZ PHE A 78 3.233 -3.308 -3.578 1.00 0.00 C ATOM 0 H PHE A 78 1.830 -5.770 -6.057 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.861 -5.806 -5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.433 -3.516 -7.373 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.768 -3.462 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.271 -4.882 -3.904 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.386 -2.514 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.059 -4.517 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.178 -2.144 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.021 -3.148 -2.857 1.00 0.00 H new ATOM 1287 N SER A 79 -1.874 -4.877 -8.179 1.00 0.00 N ATOM 1288 CA SER A 79 -2.610 -4.841 -9.432 1.00 0.00 C ATOM 1289 C SER A 79 -4.112 -4.703 -9.203 1.00 0.00 C ATOM 1290 O SER A 79 -4.784 -3.964 -9.922 1.00 0.00 O ATOM 1291 CB SER A 79 -2.345 -6.083 -10.293 1.00 0.00 C ATOM 1292 OG SER A 79 -1.201 -5.903 -11.111 1.00 0.00 O ATOM 0 H SER A 79 -2.287 -4.304 -7.443 1.00 0.00 H new ATOM 0 HA SER A 79 -2.249 -3.962 -9.965 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.203 -6.951 -9.650 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.214 -6.288 -10.918 1.00 0.00 H new ATOM 0 HG SER A 79 -0.412 -5.772 -10.545 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.683 -5.453 -8.248 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.108 -5.432 -7.998 1.00 0.00 C ATOM 1300 C PRO A 80 -6.549 -4.583 -6.812 1.00 0.00 C ATOM 1301 O PRO A 80 -7.187 -3.546 -6.998 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.395 -6.910 -7.742 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.114 -7.474 -7.182 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.027 -6.437 -7.389 1.00 0.00 C ATOM 0 HA PRO A 80 -6.651 -4.977 -8.826 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.219 -7.035 -7.040 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.680 -7.420 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.228 -7.703 -6.122 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.854 -8.406 -7.684 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.701 -5.998 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.144 -6.865 -7.864 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.230 -5.011 -5.596 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.634 -4.253 -4.421 1.00 0.00 C ATOM 1314 C LEU A 81 -5.515 -3.338 -3.985 1.00 0.00 C ATOM 1315 O LEU A 81 -5.599 -2.665 -2.958 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.017 -5.188 -3.282 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.384 -5.858 -3.425 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.481 -4.813 -3.548 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.396 -6.790 -4.628 1.00 0.00 C ATOM 0 H LEU A 81 -5.703 -5.862 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.505 -3.652 -4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.256 -5.964 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.002 -4.624 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.573 -6.449 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.446 -5.309 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.487 -4.185 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.297 -4.194 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.376 -7.259 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.185 -6.219 -5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.636 -7.560 -4.499 1.00 0.00 H new ATOM 1331 N THR A 82 -4.461 -3.327 -4.778 1.00 0.00 N ATOM 1332 CA THR A 82 -3.308 -2.515 -4.497 1.00 0.00 C ATOM 1333 C THR A 82 -2.964 -1.624 -5.684 1.00 0.00 C ATOM 1334 O THR A 82 -2.018 -0.841 -5.623 1.00 0.00 O ATOM 1335 CB THR A 82 -2.142 -3.416 -4.134 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.575 -4.762 -4.025 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.490 -3.038 -2.822 1.00 0.00 C ATOM 0 H THR A 82 -4.386 -3.881 -5.631 1.00 0.00 H new ATOM 0 HA THR A 82 -3.528 -1.858 -3.655 1.00 0.00 H new ATOM 0 HB THR A 82 -1.412 -3.296 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.136 -4.862 -3.228 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.663 -3.718 -2.617 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.113 -2.017 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.223 -3.106 -2.018 1.00 0.00 H new ATOM 1345 N SER A 83 -3.749 -1.721 -6.762 1.00 0.00 N ATOM 1346 CA SER A 83 -3.508 -0.885 -7.929 1.00 0.00 C ATOM 1347 C SER A 83 -4.272 0.428 -7.803 1.00 0.00 C ATOM 1348 O SER A 83 -4.653 1.050 -8.795 1.00 0.00 O ATOM 1349 CB SER A 83 -3.909 -1.599 -9.214 1.00 0.00 C ATOM 1350 OG SER A 83 -3.841 -0.725 -10.328 1.00 0.00 O ATOM 0 H SER A 83 -4.541 -2.359 -6.846 1.00 0.00 H new ATOM 0 HA SER A 83 -2.439 -0.676 -7.976 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.253 -2.454 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.922 -1.989 -9.116 1.00 0.00 H new ATOM 0 HG SER A 83 -4.500 -0.008 -10.222 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.467 0.836 -6.563 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.154 2.070 -6.226 1.00 0.00 C ATOM 1358 C ASN A 84 -4.466 2.635 -5.005 1.00 0.00 C ATOM 1359 O ASN A 84 -4.120 3.815 -4.948 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.636 1.814 -5.942 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.492 1.929 -7.187 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.513 1.027 -8.025 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.204 3.043 -7.316 1.00 0.00 N ATOM 0 H ASN A 84 -4.148 0.312 -5.748 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.110 2.773 -7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.754 0.819 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -6.988 2.526 -5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.798 3.177 -8.134 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.156 3.765 -6.597 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.211 1.744 -4.053 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.494 2.100 -2.853 1.00 0.00 C ATOM 1372 C LEU A 85 -2.061 2.441 -3.234 1.00 0.00 C ATOM 1373 O LEU A 85 -1.369 3.159 -2.513 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.511 0.938 -1.854 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.644 1.143 -0.609 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.288 2.149 0.334 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -2.409 -0.183 0.099 1.00 0.00 C ATOM 0 H LEU A 85 -4.496 0.766 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.971 2.958 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.540 0.766 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.179 0.034 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.679 1.541 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.656 2.280 1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.403 3.105 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.267 1.783 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.791 -0.020 0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.366 -0.609 0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.901 -0.871 -0.577 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.619 1.922 -4.390 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.274 2.184 -4.864 1.00 0.00 C ATOM 1391 C ILE A 86 -0.092 3.674 -5.132 1.00 0.00 C ATOM 1392 O ILE A 86 0.870 4.287 -4.666 1.00 0.00 O ATOM 1393 CB ILE A 86 0.053 1.356 -6.136 1.00 0.00 C ATOM 1394 CG1 ILE A 86 1.061 0.255 -5.804 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.587 2.234 -7.262 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.558 -0.734 -4.778 1.00 0.00 C ATOM 0 H ILE A 86 -2.177 1.325 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 86 0.423 1.877 -4.084 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.876 0.903 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.316 -0.281 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.979 0.713 -5.436 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.803 1.616 -8.134 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.160 2.983 -7.525 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.500 2.731 -6.934 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.324 -1.486 -4.591 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.330 -0.211 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.343 -1.220 -5.152 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.030 4.252 -5.873 1.00 0.00 N ATOM 1409 CA ASN A 87 -0.980 5.673 -6.188 1.00 0.00 C ATOM 1410 C ASN A 87 -1.258 6.493 -4.935 1.00 0.00 C ATOM 1411 O ASN A 87 -0.693 7.569 -4.745 1.00 0.00 O ATOM 1412 CB ASN A 87 -1.999 6.014 -7.277 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.631 5.417 -8.621 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.583 4.786 -8.767 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.492 5.613 -9.612 1.00 0.00 N ATOM 0 H ASN A 87 -1.832 3.759 -6.266 1.00 0.00 H new ATOM 0 HA ASN A 87 0.017 5.915 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.982 5.650 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.076 7.097 -7.372 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.297 5.235 -10.539 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.348 6.142 -9.447 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.129 5.967 -4.080 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.483 6.638 -2.836 1.00 0.00 C ATOM 1424 C LEU A 88 -1.286 6.694 -1.896 1.00 0.00 C ATOM 1425 O LEU A 88 -1.077 7.690 -1.203 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.652 5.918 -2.158 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.765 6.832 -1.644 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.093 6.092 -1.616 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.419 7.364 -0.262 1.00 0.00 C ATOM 0 H LEU A 88 -2.603 5.076 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.786 7.658 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.082 5.210 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.265 5.337 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.859 7.678 -2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.873 6.758 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.346 5.759 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.014 5.227 -0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.221 8.013 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.298 6.530 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.490 7.931 -0.313 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.496 5.625 -1.881 1.00 0.00 N ATOM 1442 CA LEU A 89 0.683 5.571 -1.028 1.00 0.00 C ATOM 1443 C LEU A 89 1.851 6.325 -1.660 1.00 0.00 C ATOM 1444 O LEU A 89 2.837 6.631 -0.992 1.00 0.00 O ATOM 1445 CB LEU A 89 1.076 4.118 -0.754 1.00 0.00 C ATOM 1446 CG LEU A 89 0.392 3.488 0.461 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.886 2.067 0.676 1.00 0.00 C ATOM 1448 CD2 LEU A 89 0.634 4.334 1.702 1.00 0.00 C ATOM 0 H LEU A 89 -0.650 4.790 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 89 0.438 6.054 -0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.843 3.521 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.156 4.069 -0.612 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.681 3.450 0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.388 1.636 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.662 1.467 -0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.963 2.078 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.141 3.873 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.705 4.402 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.229 5.334 1.545 1.00 0.00 H new ATOM 1460 N ALA A 90 1.729 6.628 -2.951 1.00 0.00 N ATOM 1461 CA ALA A 90 2.772 7.353 -3.666 1.00 0.00 C ATOM 1462 C ALA A 90 2.284 8.728 -4.121 1.00 0.00 C ATOM 1463 O ALA A 90 2.958 9.407 -4.894 1.00 0.00 O ATOM 1464 CB ALA A 90 3.251 6.541 -4.861 1.00 0.00 C ATOM 0 H ALA A 90 0.919 6.382 -3.520 1.00 0.00 H new ATOM 0 HA ALA A 90 3.606 7.505 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.030 7.093 -5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.651 5.588 -4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.415 6.360 -5.537 1.00 0.00 H new ATOM 1470 N GLU A 91 1.112 9.138 -3.637 1.00 0.00 N ATOM 1471 CA GLU A 91 0.549 10.433 -3.999 1.00 0.00 C ATOM 1472 C GLU A 91 0.650 11.409 -2.832 1.00 0.00 C ATOM 1473 O GLU A 91 1.399 12.385 -2.888 1.00 0.00 O ATOM 1474 CB GLU A 91 -0.912 10.278 -4.431 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.612 11.598 -4.715 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.155 12.253 -3.460 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.258 11.866 -3.019 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -1.477 13.152 -2.919 1.00 0.00 O ATOM 0 H GLU A 91 0.537 8.592 -2.995 1.00 0.00 H new ATOM 0 HA GLU A 91 1.122 10.833 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.953 9.656 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.458 9.749 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.913 12.278 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.430 11.428 -5.414 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.107 11.138 -1.775 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.102 11.991 -0.593 1.00 0.00 C ATOM 1487 C ASN A 92 1.291 12.058 0.026 1.00 0.00 C ATOM 1488 O ASN A 92 1.636 13.031 0.697 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.107 11.475 0.439 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.470 11.204 -0.167 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.610 10.373 -1.064 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.485 11.908 0.322 1.00 0.00 N ATOM 0 H ASN A 92 -0.732 10.334 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.391 12.996 -0.901 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -0.724 10.559 0.889 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.208 12.206 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.426 11.770 -0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.323 12.587 1.066 1.00 0.00 H new ATOM 1499 N GLY A 93 2.088 11.018 -0.204 1.00 0.00 N ATOM 1500 CA GLY A 93 3.432 10.980 0.339 1.00 0.00 C ATOM 1501 C GLY A 93 3.526 10.125 1.586 1.00 0.00 C ATOM 1502 O GLY A 93 4.215 10.481 2.542 1.00 0.00 O ATOM 0 H GLY A 93 1.826 10.202 -0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.116 10.593 -0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.756 11.994 0.572 1.00 0.00 H new ATOM 1506 N ARG A 94 2.830 8.992 1.577 1.00 0.00 N ATOM 1507 CA ARG A 94 2.835 8.082 2.716 1.00 0.00 C ATOM 1508 C ARG A 94 3.846 6.956 2.518 1.00 0.00 C ATOM 1509 O ARG A 94 3.720 5.888 3.117 1.00 0.00 O ATOM 1510 CB ARG A 94 1.439 7.497 2.933 1.00 0.00 C ATOM 1511 CG ARG A 94 0.556 8.348 3.832 1.00 0.00 C ATOM 1512 CD ARG A 94 0.882 8.131 5.301 1.00 0.00 C ATOM 1513 NE ARG A 94 0.341 9.194 6.144 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.866 10.415 6.226 1.00 0.00 C ATOM 1515 NH1 ARG A 94 1.942 10.731 5.516 1.00 0.00 N ATOM 1516 NH2 ARG A 94 0.311 11.322 7.018 1.00 0.00 N ATOM 0 H ARG A 94 2.255 8.683 0.793 1.00 0.00 H new ATOM 0 HA ARG A 94 3.126 8.651 3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.950 7.377 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.535 6.502 3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.687 9.401 3.581 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.491 8.105 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.479 7.171 5.624 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.963 8.082 5.429 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.487 8.989 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.371 10.037 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.340 11.668 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.517 11.084 7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.712 12.258 7.082 1.00 0.00 H new ATOM 1530 N LEU A 95 4.849 7.198 1.678 1.00 0.00 N ATOM 1531 CA LEU A 95 5.876 6.199 1.414 1.00 0.00 C ATOM 1532 C LEU A 95 7.086 6.421 2.315 1.00 0.00 C ATOM 1533 O LEU A 95 8.228 6.443 1.856 1.00 0.00 O ATOM 1534 CB LEU A 95 6.293 6.234 -0.059 1.00 0.00 C ATOM 1535 CG LEU A 95 5.502 5.300 -0.976 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.415 5.877 -2.381 1.00 0.00 C ATOM 1537 CD2 LEU A 95 6.137 3.916 -1.005 1.00 0.00 C ATOM 0 H LEU A 95 4.971 8.075 1.171 1.00 0.00 H new ATOM 0 HA LEU A 95 5.460 5.215 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.188 7.255 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.350 5.977 -0.128 1.00 0.00 H new ATOM 0 HG LEU A 95 4.491 5.206 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.849 5.198 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.915 6.845 -2.347 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.419 6.002 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.561 3.265 -1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.159 3.992 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.146 3.499 0.002 1.00 0.00 H new ATOM 1549 N THR A 96 6.816 6.575 3.604 1.00 0.00 N ATOM 1550 CA THR A 96 7.862 6.785 4.596 1.00 0.00 C ATOM 1551 C THR A 96 7.604 5.902 5.809 1.00 0.00 C ATOM 1552 O THR A 96 8.509 5.239 6.317 1.00 0.00 O ATOM 1553 CB THR A 96 7.915 8.255 5.016 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.707 8.639 5.649 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.147 9.200 3.857 1.00 0.00 C ATOM 0 H THR A 96 5.872 6.558 3.990 1.00 0.00 H new ATOM 0 HA THR A 96 8.823 6.518 4.156 1.00 0.00 H new ATOM 0 HB THR A 96 8.760 8.330 5.700 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.753 8.419 6.603 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.174 10.226 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.096 8.961 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.338 9.094 3.134 1.00 0.00 H new ATOM 1563 N ASN A 97 6.353 5.888 6.253 1.00 0.00 N ATOM 1564 CA ASN A 97 5.946 5.076 7.389 1.00 0.00 C ATOM 1565 C ASN A 97 4.915 4.035 6.956 1.00 0.00 C ATOM 1566 O ASN A 97 4.186 3.486 7.782 1.00 0.00 O ATOM 1567 CB ASN A 97 5.364 5.960 8.494 1.00 0.00 C ATOM 1568 CG ASN A 97 6.412 6.847 9.137 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.648 8.010 8.543 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 7.002 6.490 10.157 1.00 0.00 N flip ATOM 0 H ASN A 97 5.599 6.435 5.838 1.00 0.00 H new ATOM 0 HA ASN A 97 6.825 4.561 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.571 6.582 8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.908 5.330 9.257 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.788 5.587 10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.704 7.098 10.579 1.00 0.00 H new ATOM 1577 N THR A 98 4.860 3.771 5.648 1.00 0.00 N ATOM 1578 CA THR A 98 3.921 2.802 5.094 1.00 0.00 C ATOM 1579 C THR A 98 3.934 1.490 5.879 1.00 0.00 C ATOM 1580 O THR A 98 2.880 0.976 6.253 1.00 0.00 O ATOM 1581 CB THR A 98 4.248 2.533 3.625 1.00 0.00 C ATOM 1582 OG1 THR A 98 4.984 3.609 3.071 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.020 2.327 2.767 1.00 0.00 C ATOM 0 H THR A 98 5.458 4.218 4.954 1.00 0.00 H new ATOM 0 HA THR A 98 2.921 3.229 5.172 1.00 0.00 H new ATOM 0 HB THR A 98 4.831 1.612 3.622 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.540 4.455 3.289 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.323 2.141 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.455 1.472 3.139 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.395 3.219 2.806 1.00 0.00 H new ATOM 1591 N PRO A 99 5.129 0.924 6.137 1.00 0.00 N ATOM 1592 CA PRO A 99 5.264 -0.334 6.878 1.00 0.00 C ATOM 1593 C PRO A 99 4.349 -0.394 8.096 1.00 0.00 C ATOM 1594 O PRO A 99 3.823 -1.455 8.436 1.00 0.00 O ATOM 1595 CB PRO A 99 6.730 -0.325 7.300 1.00 0.00 C ATOM 1596 CG PRO A 99 7.422 0.426 6.216 1.00 0.00 C ATOM 1597 CD PRO A 99 6.442 1.463 5.729 1.00 0.00 C ATOM 0 HA PRO A 99 4.982 -1.200 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.862 0.160 8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 99 7.122 -1.337 7.395 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.332 0.896 6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.716 -0.242 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.633 2.437 6.180 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.502 1.595 4.649 1.00 0.00 H new ATOM 1605 N ALA A 100 4.151 0.749 8.743 1.00 0.00 N ATOM 1606 CA ALA A 100 3.288 0.819 9.913 1.00 0.00 C ATOM 1607 C ALA A 100 1.831 0.652 9.508 1.00 0.00 C ATOM 1608 O ALA A 100 1.064 -0.045 10.174 1.00 0.00 O ATOM 1609 CB ALA A 100 3.491 2.137 10.646 1.00 0.00 C ATOM 0 H ALA A 100 4.576 1.637 8.477 1.00 0.00 H new ATOM 0 HA ALA A 100 3.554 0.006 10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.838 2.173 11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.530 2.219 10.967 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.251 2.965 9.979 1.00 0.00 H new ATOM 1615 N VAL A 101 1.457 1.283 8.399 1.00 0.00 N ATOM 1616 CA VAL A 101 0.096 1.192 7.893 1.00 0.00 C ATOM 1617 C VAL A 101 -0.219 -0.238 7.467 1.00 0.00 C ATOM 1618 O VAL A 101 -1.378 -0.656 7.466 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.126 2.136 6.695 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.585 2.124 6.264 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.324 3.549 7.038 1.00 0.00 C ATOM 0 H VAL A 101 2.079 1.862 7.835 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.571 1.492 8.701 1.00 0.00 H new ATOM 0 HB VAL A 101 0.477 1.779 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.720 2.797 5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.870 1.113 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.212 2.453 7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.160 4.201 6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.249 3.917 7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.384 3.542 7.291 1.00 0.00 H new ATOM 1631 N ILE A 102 0.822 -0.986 7.111 1.00 0.00 N ATOM 1632 CA ILE A 102 0.661 -2.369 6.688 1.00 0.00 C ATOM 1633 C ILE A 102 0.167 -3.238 7.838 1.00 0.00 C ATOM 1634 O ILE A 102 -0.770 -4.021 7.679 1.00 0.00 O ATOM 1635 CB ILE A 102 1.984 -2.952 6.150 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.603 -2.010 5.111 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.755 -4.334 5.555 1.00 0.00 C ATOM 1638 CD1 ILE A 102 1.618 -1.510 4.074 1.00 0.00 C ATOM 0 H ILE A 102 1.787 -0.654 7.108 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.079 -2.371 5.888 1.00 0.00 H new ATOM 0 HB ILE A 102 2.682 -3.049 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.040 -1.154 5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.418 -2.528 4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.699 -4.730 5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.361 -5.000 6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.040 -4.263 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.130 -0.849 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.199 -2.358 3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.816 -0.963 4.569 1.00 0.00 H new ATOM 1650 N SER A 103 0.802 -3.096 8.997 1.00 0.00 N ATOM 1651 CA SER A 103 0.421 -3.869 10.172 1.00 0.00 C ATOM 1652 C SER A 103 -0.966 -3.463 10.660 1.00 0.00 C ATOM 1653 O SER A 103 -1.671 -4.254 11.286 1.00 0.00 O ATOM 1654 CB SER A 103 1.449 -3.680 11.290 1.00 0.00 C ATOM 1655 OG SER A 103 1.931 -4.928 11.757 1.00 0.00 O ATOM 0 H SER A 103 1.581 -2.454 9.147 1.00 0.00 H new ATOM 0 HA SER A 103 0.394 -4.922 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.282 -3.079 10.925 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.996 -3.130 12.115 1.00 0.00 H new ATOM 0 HG SER A 103 2.587 -4.779 12.469 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.352 -2.226 10.365 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.656 -1.716 10.770 1.00 0.00 C ATOM 1663 C ALA A 104 -3.774 -2.376 9.971 1.00 0.00 C ATOM 1664 O ALA A 104 -4.893 -2.526 10.461 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.705 -0.205 10.605 1.00 0.00 C ATOM 0 H ALA A 104 -0.780 -1.559 9.847 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.805 -1.959 11.822 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.684 0.163 10.911 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -1.935 0.254 11.225 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.531 0.053 9.560 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.466 -2.768 8.737 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.452 -3.412 7.877 1.00 0.00 C ATOM 1673 C PHE A 105 -4.850 -4.773 8.432 1.00 0.00 C ATOM 1674 O PHE A 105 -6.030 -5.119 8.459 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.907 -3.572 6.452 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.867 -4.250 5.507 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.234 -4.209 5.736 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.406 -4.927 4.389 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.112 -4.824 4.873 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.283 -5.543 3.524 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.637 -5.492 3.765 1.00 0.00 C ATOM 0 H PHE A 105 -2.546 -2.651 8.313 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.335 -2.774 7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.656 -2.588 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.981 -4.146 6.489 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.614 -3.688 6.602 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.345 -4.972 4.193 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.174 -4.783 5.064 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.908 -6.066 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.326 -5.974 3.087 1.00 0.00 H new ATOM 1691 N SER A 106 -3.859 -5.543 8.870 1.00 0.00 N ATOM 1692 CA SER A 106 -4.112 -6.871 9.419 1.00 0.00 C ATOM 1693 C SER A 106 -5.085 -6.804 10.593 1.00 0.00 C ATOM 1694 O SER A 106 -5.866 -7.728 10.816 1.00 0.00 O ATOM 1695 CB SER A 106 -2.800 -7.519 9.865 1.00 0.00 C ATOM 1696 OG SER A 106 -3.040 -8.732 10.557 1.00 0.00 O ATOM 0 H SER A 106 -2.876 -5.272 8.856 1.00 0.00 H new ATOM 0 HA SER A 106 -4.563 -7.479 8.635 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.172 -7.711 8.995 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.252 -6.832 10.509 1.00 0.00 H new ATOM 0 HG SER A 106 -2.186 -9.127 10.830 1.00 0.00 H new ATOM 1702 N THR A 107 -5.034 -5.704 11.339 1.00 0.00 N ATOM 1703 CA THR A 107 -5.916 -5.525 12.486 1.00 0.00 C ATOM 1704 C THR A 107 -7.353 -5.316 12.034 1.00 0.00 C ATOM 1705 O THR A 107 -8.253 -6.050 12.441 1.00 0.00 O ATOM 1706 CB THR A 107 -5.453 -4.342 13.339 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.041 -4.313 13.430 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.004 -4.369 14.748 1.00 0.00 C ATOM 0 H THR A 107 -4.395 -4.927 11.170 1.00 0.00 H new ATOM 0 HA THR A 107 -5.873 -6.431 13.091 1.00 0.00 H new ATOM 0 HB THR A 107 -5.834 -3.454 12.834 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.764 -3.549 13.978 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.637 -3.503 15.299 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.093 -4.342 14.713 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.679 -5.281 15.248 1.00 0.00 H new ATOM 1716 N MET A 108 -7.567 -4.325 11.175 1.00 0.00 N ATOM 1717 CA MET A 108 -8.899 -4.052 10.663 1.00 0.00 C ATOM 1718 C MET A 108 -9.331 -5.170 9.724 1.00 0.00 C ATOM 1719 O MET A 108 -10.521 -5.368 9.475 1.00 0.00 O ATOM 1720 CB MET A 108 -8.928 -2.710 9.934 1.00 0.00 C ATOM 1721 CG MET A 108 -8.309 -1.572 10.731 1.00 0.00 C ATOM 1722 SD MET A 108 -9.377 -0.998 12.066 1.00 0.00 S ATOM 1723 CE MET A 108 -8.417 0.374 12.702 1.00 0.00 C ATOM 0 H MET A 108 -6.839 -3.703 10.823 1.00 0.00 H new ATOM 0 HA MET A 108 -9.593 -4.003 11.502 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.399 -2.809 8.986 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.961 -2.457 9.697 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.357 -1.901 11.148 1.00 0.00 H new ATOM 0 HG3 MET A 108 -8.092 -0.740 10.061 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.948 0.834 13.535 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.448 0.012 13.045 1.00 0.00 H new ATOM 0 HE3 MET A 108 -8.271 1.112 11.913 1.00 0.00 H new ATOM 1733 N MET A 109 -8.347 -5.907 9.215 1.00 0.00 N ATOM 1734 CA MET A 109 -8.603 -7.016 8.311 1.00 0.00 C ATOM 1735 C MET A 109 -9.067 -8.248 9.089 1.00 0.00 C ATOM 1736 O MET A 109 -9.610 -9.183 8.507 1.00 0.00 O ATOM 1737 CB MET A 109 -7.335 -7.337 7.507 1.00 0.00 C ATOM 1738 CG MET A 109 -7.317 -8.728 6.887 1.00 0.00 C ATOM 1739 SD MET A 109 -5.759 -9.096 6.056 1.00 0.00 S ATOM 1740 CE MET A 109 -5.956 -10.844 5.727 1.00 0.00 C ATOM 0 H MET A 109 -7.359 -5.751 9.417 1.00 0.00 H new ATOM 0 HA MET A 109 -9.397 -6.730 7.621 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.226 -6.598 6.714 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.469 -7.233 8.161 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.494 -9.471 7.665 1.00 0.00 H new ATOM 0 HG3 MET A 109 -8.135 -8.814 6.172 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.112 -11.391 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.881 -11.198 6.183 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.996 -11.009 4.650 1.00 0.00 H new ATOM 1750 N SER A 110 -8.845 -8.248 10.404 1.00 0.00 N ATOM 1751 CA SER A 110 -9.247 -9.373 11.242 1.00 0.00 C ATOM 1752 C SER A 110 -10.544 -9.062 11.976 1.00 0.00 C ATOM 1753 O SER A 110 -11.393 -9.937 12.152 1.00 0.00 O ATOM 1754 CB SER A 110 -8.140 -9.714 12.244 1.00 0.00 C ATOM 1755 OG SER A 110 -8.263 -8.943 13.427 1.00 0.00 O ATOM 0 H SER A 110 -8.392 -7.485 10.907 1.00 0.00 H new ATOM 0 HA SER A 110 -9.415 -10.236 10.597 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.185 -10.775 12.492 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.166 -9.534 11.789 1.00 0.00 H new ATOM 0 HG SER A 110 -8.266 -7.990 13.198 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.700 -7.812 12.391 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.904 -7.392 13.092 1.00 0.00 C ATOM 1763 C VAL A 111 -13.131 -7.537 12.195 1.00 0.00 C ATOM 1764 O VAL A 111 -14.266 -7.530 12.674 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.798 -5.931 13.575 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.673 -4.981 12.394 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.997 -5.567 14.438 1.00 0.00 C ATOM 0 H VAL A 111 -10.010 -7.074 12.255 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.010 -8.040 13.962 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.898 -5.834 14.182 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.600 -3.956 12.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.779 -5.228 11.822 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.551 -5.077 11.755 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.906 -4.533 14.770 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.912 -5.682 13.857 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -13.034 -6.225 15.306 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.899 -7.672 10.889 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.978 -7.819 9.933 1.00 0.00 C ATOM 1779 C HIS A 112 -14.662 -9.175 10.087 1.00 0.00 C ATOM 1780 O HIS A 112 -15.845 -9.322 9.779 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.428 -7.654 8.517 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.841 -8.902 7.935 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -12.036 -9.766 8.645 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -12.958 -9.430 6.700 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.686 -10.775 7.866 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.235 -10.595 6.681 1.00 0.00 N ATOM 0 H HIS A 112 -11.967 -7.682 10.475 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.724 -7.047 10.122 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.230 -7.306 7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.664 -6.876 8.525 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.518 -9.012 5.877 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.057 -11.605 8.152 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.138 -11.220 5.881 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.909 -10.164 10.561 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.446 -11.506 10.749 1.00 0.00 C ATOM 1797 C ARG A 113 -15.568 -11.505 11.781 1.00 0.00 C ATOM 1798 O ARG A 113 -16.550 -12.235 11.645 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.336 -12.466 11.184 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.453 -13.851 10.567 1.00 0.00 C ATOM 1801 CD ARG A 113 -12.089 -14.415 10.201 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.474 -15.127 11.318 1.00 0.00 N ATOM 1803 CZ ARG A 113 -10.428 -15.941 11.193 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -9.880 -16.149 10.002 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -9.929 -16.549 12.261 1.00 0.00 N ATOM 0 H ARG A 113 -12.928 -10.061 10.821 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.855 -11.843 9.797 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.370 -12.038 10.915 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.352 -12.559 12.270 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.949 -14.522 11.268 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.079 -13.802 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.192 -15.091 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.434 -13.603 9.884 1.00 0.00 H new ATOM 0 HE ARG A 113 -11.869 -14.993 12.249 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.260 -15.684 9.177 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.079 -16.774 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -10.347 -16.393 13.178 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.128 -17.173 12.165 1.00 0.00 H new