USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 948 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 104 MET CE :methyl 180:sc= -0.77 (180deg=-0.595) USER MOD Set 1.2: A 131 GLN :FLIP amide:sc= -1.04 F(o=-2.7,f=-1.8) USER MOD Set 2.1: A 101 THR OG1 : rot -163:sc= 0.995 USER MOD Set 2.2: A 102 LYS NZ :NH3+ 143:sc= 1.17 (180deg=-0.167) USER MOD Set 3.1: A 54 SER OG : rot 97:sc= 0.0113 USER MOD Set 3.2: A 73 CYS SG : rot 143:sc= -2.66! USER MOD Set 4.1: A 67 GLN : amide:sc= -0.0235 X(o=-0.51,f=-0.61) USER MOD Set 4.2: A 97 MET CE :methyl -158:sc= -0.486 (180deg=-1.3) USER MOD Set 5.1: A 39 TYR OH : rot 180:sc= -0.0284 USER MOD Set 5.2: A 55 ASN : amide:sc=-0.00731 X(o=-0.036,f=-0.25) USER MOD Set 6.1: A 26 CYS SG : rot 80:sc= 0.0348 USER MOD Set 6.2: A 38 HIS : no HE2:sc= -0.152 K(o=-0.12,f=-9!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -152:sc= 0.804 (180deg=0.443) USER MOD Single : A 21 ASN : amide:sc= 0.148 X(o=0.15,f=-0.11) USER MOD Single : A 22 LYS NZ :NH3+ 178:sc= 0.638 (180deg=0.599) USER MOD Single : A 24 ASN : amide:sc= -0.0149 X(o=-0.015,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.305 X(o=0.3,f=-0.0022) USER MOD Single : A 29 LYS NZ :NH3+ 148:sc= -0.179 (180deg=-1.46!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0218 F(o=-1.7,f=-0.022) USER MOD Single : A 36 MET CE :methyl -144:sc= -1.42 (180deg=-2.29!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 61:sc= 1.17 USER MOD Single : A 44 LYS NZ :NH3+ 174:sc=-0.00168 (180deg=-0.0361) USER MOD Single : A 46 ASN : amide:sc= 0.138 K(o=0.14,f=-2.8!) USER MOD Single : A 48 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0313) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= 1.11 (180deg=0.356) USER MOD Single : A 53 TYR OH : rot 35:sc= 0.379 USER MOD Single : A 59 CYS SG : rot 147:sc= -1.66 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -77:sc= 0.57 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -128:sc= 0.477 (180deg=-0.208) USER MOD Single : A 76 CYS SG : rot -108:sc= -5.27! USER MOD Single : A 78 GLN : amide:sc= -0.0119 X(o=-0.012,f=-0.33) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.0992 (180deg=-0.625) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -159:sc= -2.26! (180deg=-3.41!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.176 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN :FLIP amide:sc= -0.04 F(o=-0.92,f=-0.04) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 82:sc= 0.259 USER MOD Single : A 117 CYS SG : rot 152:sc= -4.28! USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.553 F(o=-1.1,f=-0.55) USER MOD Single : A 127 CYS SG : rot 147:sc= -2.1! USER MOD Single : A 128 MET CE :methyl -157:sc= -0.104 (180deg=-0.616) USER MOD Single : A 129 MET CE :methyl -159:sc= -0.132 (180deg=-0.658) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 ASN :FLIP amide:sc= -0.0907 F(o=-1.1,f=-0.091) USER MOD ----------------------------------------------------------------- ATOM 221 N LEU A 15 10.018 20.714 -0.145 1.00 52.01 N ATOM 222 CA LEU A 15 8.646 20.966 -0.607 1.00 13.32 C ATOM 223 C LEU A 15 7.896 19.641 -0.856 1.00 40.34 C ATOM 224 O LEU A 15 6.693 19.538 -0.582 1.00 31.40 O ATOM 225 CB LEU A 15 8.658 21.855 -1.889 1.00 53.22 C ATOM 226 CG LEU A 15 9.272 23.303 -1.728 1.00 13.34 C ATOM 227 CD1 LEU A 15 10.821 23.307 -1.706 1.00 4.12 C ATOM 228 CD2 LEU A 15 8.738 24.269 -2.807 1.00 74.15 C ATOM 0 HA LEU A 15 8.113 21.505 0.176 1.00 13.32 H new ATOM 0 HB2 LEU A 15 9.216 21.330 -2.665 1.00 53.22 H new ATOM 0 HB3 LEU A 15 7.633 21.955 -2.246 1.00 53.22 H new ATOM 0 HG LEU A 15 8.943 23.660 -0.752 1.00 13.34 H new ATOM 0 HD11 LEU A 15 11.181 24.330 -1.593 1.00 4.12 H new ATOM 0 HD12 LEU A 15 11.175 22.704 -0.870 1.00 4.12 H new ATOM 0 HD13 LEU A 15 11.199 22.890 -2.639 1.00 4.12 H new ATOM 0 HD21 LEU A 15 9.182 25.254 -2.665 1.00 74.15 H new ATOM 0 HD22 LEU A 15 9.001 23.892 -3.795 1.00 74.15 H new ATOM 0 HD23 LEU A 15 7.654 24.344 -2.724 1.00 74.15 H new ATOM 240 N ALA A 16 8.654 18.616 -1.301 1.00 75.13 N ATOM 241 CA ALA A 16 8.113 17.273 -1.577 1.00 13.33 C ATOM 242 C ALA A 16 7.519 16.621 -0.322 1.00 21.33 C ATOM 243 O ALA A 16 6.561 15.843 -0.423 1.00 51.15 O ATOM 244 CB ALA A 16 9.186 16.369 -2.188 1.00 22.52 C ATOM 0 H ALA A 16 9.655 18.698 -1.478 1.00 75.13 H new ATOM 0 HA ALA A 16 7.304 17.397 -2.297 1.00 13.33 H new ATOM 0 HB1 ALA A 16 8.763 15.383 -2.383 1.00 22.52 H new ATOM 0 HB2 ALA A 16 9.539 16.804 -3.123 1.00 22.52 H new ATOM 0 HB3 ALA A 16 10.021 16.275 -1.494 1.00 22.52 H new ATOM 250 N LEU A 17 8.060 16.960 0.868 1.00 53.22 N ATOM 251 CA LEU A 17 7.549 16.396 2.123 1.00 50.02 C ATOM 252 C LEU A 17 6.257 17.128 2.524 1.00 41.53 C ATOM 253 O LEU A 17 5.391 16.550 3.176 1.00 74.21 O ATOM 254 CB LEU A 17 8.651 16.413 3.243 1.00 0.41 C ATOM 255 CG LEU A 17 8.738 17.664 4.212 1.00 51.03 C ATOM 256 CD1 LEU A 17 7.799 17.511 5.433 1.00 75.50 C ATOM 257 CD2 LEU A 17 10.191 17.938 4.671 1.00 72.11 C ATOM 0 H LEU A 17 8.837 17.611 0.980 1.00 53.22 H new ATOM 0 HA LEU A 17 7.296 15.345 1.980 1.00 50.02 H new ATOM 0 HB2 LEU A 17 8.507 15.527 3.861 1.00 0.41 H new ATOM 0 HB3 LEU A 17 9.619 16.307 2.754 1.00 0.41 H new ATOM 0 HG LEU A 17 8.402 18.527 3.637 1.00 51.03 H new ATOM 0 HD11 LEU A 17 7.888 18.389 6.073 1.00 75.50 H new ATOM 0 HD12 LEU A 17 6.769 17.415 5.090 1.00 75.50 H new ATOM 0 HD13 LEU A 17 8.078 16.621 5.997 1.00 75.50 H new ATOM 0 HD21 LEU A 17 10.206 18.803 5.334 1.00 72.11 H new ATOM 0 HD22 LEU A 17 10.575 17.067 5.203 1.00 72.11 H new ATOM 0 HD23 LEU A 17 10.816 18.137 3.801 1.00 72.11 H new ATOM 269 N MET A 18 6.115 18.387 2.077 1.00 74.42 N ATOM 270 CA MET A 18 4.995 19.260 2.479 1.00 43.45 C ATOM 271 C MET A 18 3.721 18.874 1.715 1.00 43.12 C ATOM 272 O MET A 18 2.608 18.878 2.263 1.00 45.10 O ATOM 273 CB MET A 18 5.366 20.742 2.206 1.00 13.51 C ATOM 274 CG MET A 18 6.669 21.192 2.879 1.00 53.20 C ATOM 275 SD MET A 18 6.583 21.099 4.678 1.00 63.32 S ATOM 276 CE MET A 18 8.196 21.712 5.156 1.00 61.43 C ATOM 0 H MET A 18 6.769 18.828 1.430 1.00 74.42 H new ATOM 0 HA MET A 18 4.806 19.134 3.545 1.00 43.45 H new ATOM 0 HB2 MET A 18 5.454 20.892 1.130 1.00 13.51 H new ATOM 0 HB3 MET A 18 4.552 21.379 2.551 1.00 13.51 H new ATOM 0 HG2 MET A 18 7.491 20.570 2.525 1.00 53.20 H new ATOM 0 HG3 MET A 18 6.893 22.216 2.581 1.00 53.20 H new ATOM 0 HE1 MET A 18 8.279 21.708 6.243 1.00 61.43 H new ATOM 0 HE2 MET A 18 8.969 21.072 4.731 1.00 61.43 H new ATOM 0 HE3 MET A 18 8.323 22.729 4.786 1.00 61.43 H new ATOM 286 N VAL A 19 3.923 18.512 0.443 1.00 32.32 N ATOM 287 CA VAL A 19 2.841 18.156 -0.481 1.00 72.21 C ATOM 288 C VAL A 19 2.317 16.716 -0.206 1.00 10.32 C ATOM 289 O VAL A 19 1.182 16.380 -0.566 1.00 41.23 O ATOM 290 CB VAL A 19 3.322 18.327 -1.968 1.00 44.52 C ATOM 291 CG1 VAL A 19 4.440 17.328 -2.313 1.00 61.15 C ATOM 292 CG2 VAL A 19 2.146 18.247 -2.972 1.00 54.31 C ATOM 0 H VAL A 19 4.851 18.458 0.023 1.00 32.32 H new ATOM 0 HA VAL A 19 2.004 18.835 -0.316 1.00 72.21 H new ATOM 0 HB VAL A 19 3.741 19.329 -2.059 1.00 44.52 H new ATOM 0 HG11 VAL A 19 4.750 17.472 -3.348 1.00 61.15 H new ATOM 0 HG12 VAL A 19 5.291 17.492 -1.653 1.00 61.15 H new ATOM 0 HG13 VAL A 19 4.071 16.310 -2.183 1.00 61.15 H new ATOM 0 HG21 VAL A 19 2.525 18.370 -3.987 1.00 54.31 H new ATOM 0 HG22 VAL A 19 1.657 17.277 -2.883 1.00 54.31 H new ATOM 0 HG23 VAL A 19 1.427 19.037 -2.754 1.00 54.31 H new ATOM 302 N LYS A 20 3.149 15.860 0.424 1.00 61.10 N ATOM 303 CA LYS A 20 2.701 14.518 0.860 1.00 34.02 C ATOM 304 C LYS A 20 1.935 14.599 2.201 1.00 32.15 C ATOM 305 O LYS A 20 1.083 13.742 2.482 1.00 32.41 O ATOM 306 CB LYS A 20 3.882 13.510 0.936 1.00 64.22 C ATOM 307 CG LYS A 20 4.810 13.625 2.170 1.00 32.14 C ATOM 308 CD LYS A 20 5.977 12.602 2.146 1.00 15.23 C ATOM 309 CE LYS A 20 6.961 12.865 0.995 1.00 54.50 C ATOM 310 NZ LYS A 20 7.968 11.786 0.838 1.00 74.14 N ATOM 0 H LYS A 20 4.123 16.069 0.641 1.00 61.10 H new ATOM 0 HA LYS A 20 2.012 14.141 0.105 1.00 34.02 H new ATOM 0 HB2 LYS A 20 3.471 12.501 0.911 1.00 64.22 H new ATOM 0 HB3 LYS A 20 4.490 13.629 0.039 1.00 64.22 H new ATOM 0 HG2 LYS A 20 5.219 14.634 2.218 1.00 32.14 H new ATOM 0 HG3 LYS A 20 4.222 13.476 3.076 1.00 32.14 H new ATOM 0 HD2 LYS A 20 6.512 12.643 3.095 1.00 15.23 H new ATOM 0 HD3 LYS A 20 5.572 11.594 2.051 1.00 15.23 H new ATOM 0 HE2 LYS A 20 6.403 12.973 0.065 1.00 54.50 H new ATOM 0 HE3 LYS A 20 7.474 13.811 1.171 1.00 54.50 H new ATOM 0 HZ1 LYS A 20 8.838 12.180 0.427 1.00 74.14 H new ATOM 0 HZ2 LYS A 20 8.181 11.372 1.768 1.00 74.14 H new ATOM 0 HZ3 LYS A 20 7.591 11.048 0.209 1.00 74.14 H new ATOM 324 N ASN A 21 2.246 15.640 3.023 1.00 21.24 N ATOM 325 CA ASN A 21 1.562 15.871 4.324 1.00 73.14 C ATOM 326 C ASN A 21 0.076 16.191 4.120 1.00 40.35 C ATOM 327 O ASN A 21 -0.773 15.637 4.822 1.00 71.01 O ATOM 328 CB ASN A 21 2.241 17.004 5.168 1.00 61.04 C ATOM 329 CG ASN A 21 3.292 16.479 6.153 1.00 44.50 C ATOM 330 OD1 ASN A 21 2.948 16.004 7.232 1.00 44.31 O ATOM 331 ND2 ASN A 21 4.560 16.607 5.824 1.00 51.10 N ATOM 0 H ASN A 21 2.965 16.330 2.806 1.00 21.24 H new ATOM 0 HA ASN A 21 1.653 14.941 4.886 1.00 73.14 H new ATOM 0 HB2 ASN A 21 2.711 17.719 4.492 1.00 61.04 H new ATOM 0 HB3 ASN A 21 1.473 17.545 5.721 1.00 61.04 H new ATOM 0 HD21 ASN A 21 5.288 16.308 6.473 1.00 51.10 H new ATOM 0 HD22 ASN A 21 4.815 17.005 4.920 1.00 51.10 H new ATOM 338 N LYS A 22 -0.227 17.080 3.156 1.00 73.02 N ATOM 339 CA LYS A 22 -1.618 17.471 2.847 1.00 34.53 C ATOM 340 C LYS A 22 -2.414 16.293 2.263 1.00 44.22 C ATOM 341 O LYS A 22 -3.617 16.205 2.473 1.00 43.32 O ATOM 342 CB LYS A 22 -1.635 18.658 1.864 1.00 74.45 C ATOM 343 CG LYS A 22 -0.806 18.402 0.597 1.00 63.15 C ATOM 344 CD LYS A 22 -0.970 19.476 -0.478 1.00 52.10 C ATOM 345 CE LYS A 22 -2.383 19.486 -1.089 1.00 33.51 C ATOM 346 NZ LYS A 22 -2.529 20.518 -2.147 1.00 12.11 N ATOM 0 H LYS A 22 0.473 17.543 2.576 1.00 73.02 H new ATOM 0 HA LYS A 22 -2.094 17.772 3.780 1.00 34.53 H new ATOM 0 HB2 LYS A 22 -2.665 18.872 1.580 1.00 74.45 H new ATOM 0 HB3 LYS A 22 -1.252 19.545 2.368 1.00 74.45 H new ATOM 0 HG2 LYS A 22 0.247 18.334 0.871 1.00 63.15 H new ATOM 0 HG3 LYS A 22 -1.089 17.436 0.178 1.00 63.15 H new ATOM 0 HD2 LYS A 22 -0.757 20.454 -0.046 1.00 52.10 H new ATOM 0 HD3 LYS A 22 -0.237 19.310 -1.268 1.00 52.10 H new ATOM 0 HE2 LYS A 22 -2.603 18.504 -1.509 1.00 33.51 H new ATOM 0 HE3 LYS A 22 -3.116 19.668 -0.303 1.00 33.51 H new ATOM 0 HZ1 LYS A 22 -3.485 20.466 -2.553 1.00 12.11 H new ATOM 0 HZ2 LYS A 22 -2.379 21.461 -1.735 1.00 12.11 H new ATOM 0 HZ3 LYS A 22 -1.826 20.351 -2.895 1.00 12.11 H new ATOM 360 N GLY A 23 -1.726 15.414 1.506 1.00 34.52 N ATOM 361 CA GLY A 23 -2.337 14.193 0.969 1.00 60.14 C ATOM 362 C GLY A 23 -2.795 13.238 2.067 1.00 11.44 C ATOM 363 O GLY A 23 -3.956 12.797 2.083 1.00 32.32 O ATOM 0 H GLY A 23 -0.744 15.533 1.255 1.00 34.52 H new ATOM 0 HA2 GLY A 23 -3.190 14.461 0.346 1.00 60.14 H new ATOM 0 HA3 GLY A 23 -1.619 13.684 0.325 1.00 60.14 H new ATOM 367 N ASN A 24 -1.851 12.925 2.974 1.00 3.34 N ATOM 368 CA ASN A 24 -2.088 12.115 4.187 1.00 14.15 C ATOM 369 C ASN A 24 -3.230 12.702 5.050 1.00 22.24 C ATOM 370 O ASN A 24 -4.110 11.964 5.529 1.00 21.13 O ATOM 371 CB ASN A 24 -0.771 12.020 5.002 1.00 34.22 C ATOM 372 CG ASN A 24 -0.939 11.357 6.378 1.00 64.44 C ATOM 373 OD1 ASN A 24 -0.855 10.140 6.513 1.00 54.45 O ATOM 374 ND2 ASN A 24 -1.178 12.157 7.409 1.00 41.12 N ATOM 0 H ASN A 24 -0.883 13.233 2.884 1.00 3.34 H new ATOM 0 HA ASN A 24 -2.401 11.116 3.885 1.00 14.15 H new ATOM 0 HB2 ASN A 24 -0.038 11.457 4.425 1.00 34.22 H new ATOM 0 HB3 ASN A 24 -0.367 13.023 5.139 1.00 34.22 H new ATOM 0 HD21 ASN A 24 -1.297 11.764 8.343 1.00 41.12 H new ATOM 0 HD22 ASN A 24 -1.243 13.165 7.268 1.00 41.12 H new ATOM 381 N GLU A 25 -3.199 14.038 5.213 1.00 13.22 N ATOM 382 CA GLU A 25 -4.174 14.782 6.001 1.00 14.20 C ATOM 383 C GLU A 25 -5.569 14.640 5.397 1.00 20.44 C ATOM 384 O GLU A 25 -6.477 14.185 6.078 1.00 24.31 O ATOM 385 CB GLU A 25 -3.733 16.279 6.102 1.00 4.22 C ATOM 386 CG GLU A 25 -4.871 17.299 6.249 1.00 42.45 C ATOM 387 CD GLU A 25 -4.376 18.738 6.377 1.00 42.04 C ATOM 388 OE1 GLU A 25 -4.036 19.156 7.501 1.00 42.42 O ATOM 389 OE2 GLU A 25 -4.300 19.446 5.350 1.00 71.05 O ATOM 0 H GLU A 25 -2.483 14.630 4.792 1.00 13.22 H new ATOM 0 HA GLU A 25 -4.217 14.372 7.010 1.00 14.20 H new ATOM 0 HB2 GLU A 25 -3.063 16.385 6.955 1.00 4.22 H new ATOM 0 HB3 GLU A 25 -3.157 16.530 5.211 1.00 4.22 H new ATOM 0 HG2 GLU A 25 -5.531 17.224 5.385 1.00 42.45 H new ATOM 0 HG3 GLU A 25 -5.465 17.047 7.127 1.00 42.45 H new ATOM 396 N CYS A 26 -5.702 14.988 4.103 1.00 71.04 N ATOM 397 CA CYS A 26 -7.001 15.080 3.418 1.00 11.01 C ATOM 398 C CYS A 26 -7.769 13.754 3.467 1.00 44.54 C ATOM 399 O CYS A 26 -8.956 13.750 3.798 1.00 75.11 O ATOM 400 CB CYS A 26 -6.811 15.564 1.979 1.00 30.31 C ATOM 401 SG CYS A 26 -6.170 17.251 1.883 1.00 64.44 S ATOM 0 H CYS A 26 -4.908 15.213 3.504 1.00 71.04 H new ATOM 0 HA CYS A 26 -7.608 15.813 3.949 1.00 11.01 H new ATOM 0 HB2 CYS A 26 -6.127 14.891 1.462 1.00 30.31 H new ATOM 0 HB3 CYS A 26 -7.765 15.513 1.455 1.00 30.31 H new ATOM 0 HG CYS A 26 -4.884 17.238 2.074 1.00 64.44 H new ATOM 407 N PHE A 27 -7.055 12.638 3.215 1.00 53.23 N ATOM 408 CA PHE A 27 -7.608 11.267 3.340 1.00 3.51 C ATOM 409 C PHE A 27 -8.281 11.088 4.719 1.00 41.12 C ATOM 410 O PHE A 27 -9.464 10.714 4.824 1.00 54.22 O ATOM 411 CB PHE A 27 -6.459 10.234 3.147 1.00 44.30 C ATOM 412 CG PHE A 27 -6.909 8.775 3.031 1.00 62.01 C ATOM 413 CD1 PHE A 27 -7.354 8.255 1.815 1.00 21.32 C ATOM 414 CD2 PHE A 27 -6.878 7.924 4.133 1.00 4.14 C ATOM 415 CE1 PHE A 27 -7.751 6.935 1.710 1.00 74.43 C ATOM 416 CE2 PHE A 27 -7.274 6.605 4.028 1.00 1.31 C ATOM 417 CZ PHE A 27 -7.709 6.110 2.816 1.00 72.24 C ATOM 0 H PHE A 27 -6.079 12.658 2.919 1.00 53.23 H new ATOM 0 HA PHE A 27 -8.365 11.105 2.573 1.00 3.51 H new ATOM 0 HB2 PHE A 27 -5.901 10.498 2.249 1.00 44.30 H new ATOM 0 HB3 PHE A 27 -5.770 10.320 3.987 1.00 44.30 H new ATOM 0 HD1 PHE A 27 -7.389 8.893 0.944 1.00 21.32 H new ATOM 0 HD2 PHE A 27 -6.538 8.302 5.086 1.00 4.14 H new ATOM 0 HE1 PHE A 27 -8.094 6.549 0.762 1.00 74.43 H new ATOM 0 HE2 PHE A 27 -7.243 5.961 4.895 1.00 1.31 H new ATOM 0 HZ PHE A 27 -8.016 5.078 2.733 1.00 72.24 H new ATOM 427 N GLN A 28 -7.517 11.468 5.755 1.00 43.13 N ATOM 428 CA GLN A 28 -7.933 11.409 7.160 1.00 51.22 C ATOM 429 C GLN A 28 -9.087 12.404 7.458 1.00 74.24 C ATOM 430 O GLN A 28 -9.881 12.177 8.376 1.00 72.33 O ATOM 431 CB GLN A 28 -6.699 11.706 8.062 1.00 35.44 C ATOM 432 CG GLN A 28 -6.959 11.641 9.579 1.00 61.22 C ATOM 433 CD GLN A 28 -7.407 10.257 10.051 1.00 42.02 C ATOM 434 OE1 GLN A 28 -6.581 9.411 10.381 1.00 52.31 O ATOM 435 NE2 GLN A 28 -8.713 10.021 10.099 1.00 65.22 N ATOM 0 H GLN A 28 -6.572 11.833 5.634 1.00 43.13 H new ATOM 0 HA GLN A 28 -8.314 10.411 7.374 1.00 51.22 H new ATOM 0 HB2 GLN A 28 -5.910 10.996 7.815 1.00 35.44 H new ATOM 0 HB3 GLN A 28 -6.322 12.699 7.817 1.00 35.44 H new ATOM 0 HG2 GLN A 28 -6.050 11.923 10.110 1.00 61.22 H new ATOM 0 HG3 GLN A 28 -7.722 12.373 9.843 1.00 61.22 H new ATOM 0 HE21 GLN A 28 -9.373 10.746 9.818 1.00 65.22 H new ATOM 0 HE22 GLN A 28 -9.056 9.115 10.417 1.00 65.22 H new ATOM 444 N LYS A 29 -9.198 13.497 6.660 1.00 11.12 N ATOM 445 CA LYS A 29 -10.278 14.497 6.843 1.00 34.34 C ATOM 446 C LYS A 29 -11.583 13.994 6.191 1.00 24.11 C ATOM 447 O LYS A 29 -12.626 14.639 6.316 1.00 70.40 O ATOM 448 CB LYS A 29 -9.904 15.892 6.246 1.00 23.40 C ATOM 449 CG LYS A 29 -8.515 16.446 6.631 1.00 24.42 C ATOM 450 CD LYS A 29 -8.222 16.544 8.156 1.00 20.01 C ATOM 451 CE LYS A 29 -8.876 17.761 8.850 1.00 62.50 C ATOM 452 NZ LYS A 29 -10.366 17.706 8.886 1.00 12.43 N ATOM 0 H LYS A 29 -8.560 13.706 5.892 1.00 11.12 H new ATOM 0 HA LYS A 29 -10.419 14.621 7.917 1.00 34.34 H new ATOM 0 HB2 LYS A 29 -9.958 15.826 5.159 1.00 23.40 H new ATOM 0 HB3 LYS A 29 -10.659 16.613 6.559 1.00 23.40 H new ATOM 0 HG2 LYS A 29 -7.754 15.814 6.174 1.00 24.42 H new ATOM 0 HG3 LYS A 29 -8.408 17.439 6.195 1.00 24.42 H new ATOM 0 HD2 LYS A 29 -8.571 15.632 8.641 1.00 20.01 H new ATOM 0 HD3 LYS A 29 -7.143 16.591 8.305 1.00 20.01 H new ATOM 0 HE2 LYS A 29 -8.500 17.831 9.871 1.00 62.50 H new ATOM 0 HE3 LYS A 29 -8.568 18.670 8.334 1.00 62.50 H new ATOM 0 HZ1 LYS A 29 -10.710 18.173 9.749 1.00 12.43 H new ATOM 0 HZ2 LYS A 29 -10.752 18.193 8.052 1.00 12.43 H new ATOM 0 HZ3 LYS A 29 -10.677 16.714 8.882 1.00 12.43 H new ATOM 466 N GLY A 30 -11.505 12.843 5.483 1.00 0.01 N ATOM 467 CA GLY A 30 -12.669 12.243 4.828 1.00 1.14 C ATOM 468 C GLY A 30 -12.624 12.371 3.316 1.00 71.52 C ATOM 469 O GLY A 30 -13.530 11.891 2.630 1.00 54.05 O ATOM 0 H GLY A 30 -10.640 12.317 5.356 1.00 0.01 H new ATOM 0 HA2 GLY A 30 -12.728 11.188 5.097 1.00 1.14 H new ATOM 0 HA3 GLY A 30 -13.576 12.719 5.202 1.00 1.14 H new ATOM 473 N ASP A 31 -11.556 13.004 2.797 1.00 50.24 N ATOM 474 CA ASP A 31 -11.333 13.180 1.354 1.00 42.31 C ATOM 475 C ASP A 31 -10.565 11.972 0.801 1.00 71.02 C ATOM 476 O ASP A 31 -9.388 12.086 0.458 1.00 22.11 O ATOM 477 CB ASP A 31 -10.535 14.491 1.074 1.00 5.42 C ATOM 478 CG ASP A 31 -11.188 15.742 1.662 1.00 13.34 C ATOM 479 OD1 ASP A 31 -11.079 15.956 2.891 1.00 62.12 O ATOM 480 OD2 ASP A 31 -11.813 16.517 0.913 1.00 65.20 O ATOM 0 H ASP A 31 -10.819 13.410 3.374 1.00 50.24 H new ATOM 0 HA ASP A 31 -12.301 13.255 0.858 1.00 42.31 H new ATOM 0 HB2 ASP A 31 -9.530 14.389 1.484 1.00 5.42 H new ATOM 0 HB3 ASP A 31 -10.429 14.619 -0.003 1.00 5.42 H new ATOM 485 N TYR A 32 -11.228 10.803 0.754 1.00 31.20 N ATOM 486 CA TYR A 32 -10.610 9.549 0.268 1.00 14.14 C ATOM 487 C TYR A 32 -10.230 9.648 -1.243 1.00 35.11 C ATOM 488 O TYR A 32 -9.063 9.418 -1.578 1.00 31.42 O ATOM 489 CB TYR A 32 -11.511 8.304 0.566 1.00 2.31 C ATOM 490 CG TYR A 32 -11.642 7.938 2.058 1.00 40.14 C ATOM 491 CD1 TYR A 32 -12.095 8.865 2.994 1.00 11.53 C ATOM 492 CD2 TYR A 32 -11.322 6.661 2.528 1.00 14.44 C ATOM 493 CE1 TYR A 32 -12.227 8.541 4.328 1.00 4.24 C ATOM 494 CE2 TYR A 32 -11.451 6.332 3.864 1.00 30.41 C ATOM 495 CZ TYR A 32 -11.901 7.275 4.760 1.00 13.51 C ATOM 496 OH TYR A 32 -12.042 6.950 6.090 1.00 64.13 O ATOM 0 H TYR A 32 -12.199 10.697 1.048 1.00 31.20 H new ATOM 0 HA TYR A 32 -9.683 9.406 0.823 1.00 14.14 H new ATOM 0 HB2 TYR A 32 -12.507 8.490 0.164 1.00 2.31 H new ATOM 0 HB3 TYR A 32 -11.107 7.445 0.031 1.00 2.31 H new ATOM 0 HD1 TYR A 32 -12.349 9.862 2.667 1.00 11.53 H new ATOM 0 HD2 TYR A 32 -10.966 5.916 1.832 1.00 14.44 H new ATOM 0 HE1 TYR A 32 -12.585 9.278 5.032 1.00 4.24 H new ATOM 0 HE2 TYR A 32 -11.200 5.338 4.204 1.00 30.41 H new ATOM 0 HH TYR A 32 -11.771 6.019 6.230 1.00 64.13 H new ATOM 506 N PRO A 33 -11.177 10.021 -2.190 1.00 51.20 N ATOM 507 CA PRO A 33 -10.826 10.184 -3.625 1.00 61.22 C ATOM 508 C PRO A 33 -9.818 11.333 -3.861 1.00 52.05 C ATOM 509 O PRO A 33 -8.798 11.151 -4.539 1.00 21.13 O ATOM 510 CB PRO A 33 -12.186 10.479 -4.325 1.00 64.50 C ATOM 511 CG PRO A 33 -13.233 10.055 -3.337 1.00 74.31 C ATOM 512 CD PRO A 33 -12.630 10.284 -1.973 1.00 51.53 C ATOM 0 HA PRO A 33 -10.332 9.295 -4.018 1.00 61.22 H new ATOM 0 HB2 PRO A 33 -12.282 11.536 -4.571 1.00 64.50 H new ATOM 0 HB3 PRO A 33 -12.277 9.924 -5.259 1.00 64.50 H new ATOM 0 HG2 PRO A 33 -14.147 10.636 -3.463 1.00 74.31 H new ATOM 0 HG3 PRO A 33 -13.500 9.007 -3.476 1.00 74.31 H new ATOM 0 HD2 PRO A 33 -12.806 11.300 -1.621 1.00 51.53 H new ATOM 0 HD3 PRO A 33 -13.054 9.611 -1.228 1.00 51.53 H new ATOM 520 N GLN A 34 -10.098 12.504 -3.250 1.00 63.21 N ATOM 521 CA GLN A 34 -9.281 13.725 -3.436 1.00 4.21 C ATOM 522 C GLN A 34 -7.835 13.522 -2.929 1.00 15.25 C ATOM 523 O GLN A 34 -6.894 14.148 -3.445 1.00 44.43 O ATOM 524 CB GLN A 34 -9.941 14.932 -2.716 1.00 0.25 C ATOM 525 CG GLN A 34 -9.379 16.328 -3.102 1.00 62.35 C ATOM 526 CD GLN A 34 -9.971 16.941 -4.390 1.00 13.42 C ATOM 527 OE1 GLN A 34 -10.376 16.131 -5.364 1.00 34.43 O flip ATOM 528 NE2 GLN A 34 -10.054 18.162 -4.513 1.00 42.43 N flip ATOM 0 H GLN A 34 -10.889 12.631 -2.619 1.00 63.21 H new ATOM 0 HA GLN A 34 -9.233 13.933 -4.505 1.00 4.21 H new ATOM 0 HB2 GLN A 34 -11.010 14.919 -2.927 1.00 0.25 H new ATOM 0 HB3 GLN A 34 -9.827 14.798 -1.640 1.00 0.25 H new ATOM 0 HG2 GLN A 34 -9.559 17.016 -2.276 1.00 62.35 H new ATOM 0 HG3 GLN A 34 -8.298 16.247 -3.220 1.00 62.35 H new ATOM 0 HE21 GLN A 34 -9.740 18.773 -3.759 1.00 42.43 H new ATOM 0 HE22 GLN A 34 -10.437 18.563 -5.369 1.00 42.43 H new ATOM 537 N ALA A 35 -7.678 12.621 -1.933 1.00 2.55 N ATOM 538 CA ALA A 35 -6.362 12.238 -1.396 1.00 13.22 C ATOM 539 C ALA A 35 -5.462 11.668 -2.492 1.00 31.21 C ATOM 540 O ALA A 35 -4.268 11.940 -2.486 1.00 34.21 O ATOM 541 CB ALA A 35 -6.503 11.218 -0.267 1.00 42.10 C ATOM 0 H ALA A 35 -8.459 12.143 -1.484 1.00 2.55 H new ATOM 0 HA ALA A 35 -5.901 13.142 -0.998 1.00 13.22 H new ATOM 0 HB1 ALA A 35 -5.515 10.954 0.110 1.00 42.10 H new ATOM 0 HB2 ALA A 35 -7.096 11.648 0.540 1.00 42.10 H new ATOM 0 HB3 ALA A 35 -6.998 10.324 -0.645 1.00 42.10 H new ATOM 547 N MET A 36 -6.055 10.910 -3.448 1.00 70.31 N ATOM 548 CA MET A 36 -5.293 10.279 -4.550 1.00 2.02 C ATOM 549 C MET A 36 -4.648 11.356 -5.426 1.00 35.25 C ATOM 550 O MET A 36 -3.494 11.224 -5.823 1.00 64.03 O ATOM 551 CB MET A 36 -6.198 9.389 -5.429 1.00 52.41 C ATOM 552 CG MET A 36 -6.931 8.277 -4.681 1.00 73.22 C ATOM 553 SD MET A 36 -7.947 7.287 -5.787 1.00 71.11 S ATOM 554 CE MET A 36 -9.010 8.528 -6.534 1.00 61.13 C ATOM 0 H MET A 36 -7.057 10.722 -3.476 1.00 70.31 H new ATOM 0 HA MET A 36 -4.523 9.652 -4.100 1.00 2.02 H new ATOM 0 HB2 MET A 36 -6.936 10.022 -5.923 1.00 52.41 H new ATOM 0 HB3 MET A 36 -5.589 8.939 -6.213 1.00 52.41 H new ATOM 0 HG2 MET A 36 -6.205 7.635 -4.182 1.00 73.22 H new ATOM 0 HG3 MET A 36 -7.558 8.714 -3.904 1.00 73.22 H new ATOM 0 HE1 MET A 36 -10.004 8.109 -6.692 1.00 61.13 H new ATOM 0 HE2 MET A 36 -9.081 9.392 -5.873 1.00 61.13 H new ATOM 0 HE3 MET A 36 -8.591 8.838 -7.491 1.00 61.13 H new ATOM 564 N LYS A 37 -5.417 12.429 -5.687 1.00 64.15 N ATOM 565 CA LYS A 37 -4.964 13.586 -6.486 1.00 43.44 C ATOM 566 C LYS A 37 -3.911 14.387 -5.712 1.00 53.42 C ATOM 567 O LYS A 37 -2.976 14.933 -6.297 1.00 71.43 O ATOM 568 CB LYS A 37 -6.164 14.492 -6.856 1.00 74.24 C ATOM 569 CG LYS A 37 -7.302 13.745 -7.573 1.00 34.02 C ATOM 570 CD LYS A 37 -8.448 14.679 -8.026 1.00 44.31 C ATOM 571 CE LYS A 37 -9.549 13.916 -8.784 1.00 63.52 C ATOM 572 NZ LYS A 37 -10.611 14.819 -9.298 1.00 73.24 N ATOM 0 H LYS A 37 -6.375 12.520 -5.349 1.00 64.15 H new ATOM 0 HA LYS A 37 -4.514 13.216 -7.407 1.00 43.44 H new ATOM 0 HB2 LYS A 37 -6.557 14.950 -5.948 1.00 74.24 H new ATOM 0 HB3 LYS A 37 -5.813 15.302 -7.495 1.00 74.24 H new ATOM 0 HG2 LYS A 37 -6.898 13.227 -8.443 1.00 34.02 H new ATOM 0 HG3 LYS A 37 -7.705 12.982 -6.907 1.00 34.02 H new ATOM 0 HD2 LYS A 37 -8.881 15.170 -7.155 1.00 44.31 H new ATOM 0 HD3 LYS A 37 -8.045 15.464 -8.666 1.00 44.31 H new ATOM 0 HE2 LYS A 37 -9.103 13.372 -9.617 1.00 63.52 H new ATOM 0 HE3 LYS A 37 -9.995 13.174 -8.122 1.00 63.52 H new ATOM 0 HZ1 LYS A 37 -11.329 14.259 -9.801 1.00 73.24 H new ATOM 0 HZ2 LYS A 37 -11.056 15.319 -8.502 1.00 73.24 H new ATOM 0 HZ3 LYS A 37 -10.192 15.511 -9.951 1.00 73.24 H new ATOM 586 N HIS A 38 -4.087 14.437 -4.381 1.00 31.45 N ATOM 587 CA HIS A 38 -3.128 15.077 -3.462 1.00 35.35 C ATOM 588 C HIS A 38 -1.838 14.245 -3.320 1.00 34.21 C ATOM 589 O HIS A 38 -0.800 14.768 -2.900 1.00 10.42 O ATOM 590 CB HIS A 38 -3.786 15.353 -2.090 1.00 35.44 C ATOM 591 CG HIS A 38 -4.851 16.419 -2.115 1.00 33.41 C ATOM 592 ND1 HIS A 38 -5.403 16.947 -0.973 1.00 32.22 N ATOM 593 CD2 HIS A 38 -5.461 17.058 -3.145 1.00 31.31 C ATOM 594 CE1 HIS A 38 -6.303 17.851 -1.297 1.00 43.11 C ATOM 595 NE2 HIS A 38 -6.352 17.943 -2.607 1.00 41.11 N ATOM 0 H HIS A 38 -4.898 14.035 -3.911 1.00 31.45 H new ATOM 0 HA HIS A 38 -2.840 16.036 -3.891 1.00 35.35 H new ATOM 0 HB2 HIS A 38 -4.224 14.427 -1.718 1.00 35.44 H new ATOM 0 HB3 HIS A 38 -3.011 15.646 -1.381 1.00 35.44 H new ATOM 0 HD1 HIS A 38 -5.154 16.680 -0.021 1.00 32.22 H new ATOM 0 HD2 HIS A 38 -5.276 16.897 -4.197 1.00 31.31 H new ATOM 0 HE1 HIS A 38 -6.901 18.422 -0.602 1.00 43.11 H new ATOM 604 N TYR A 39 -1.921 12.941 -3.643 1.00 43.23 N ATOM 605 CA TYR A 39 -0.736 12.081 -3.788 1.00 21.45 C ATOM 606 C TYR A 39 -0.140 12.242 -5.186 1.00 31.22 C ATOM 607 O TYR A 39 1.060 12.157 -5.338 1.00 2.14 O ATOM 608 CB TYR A 39 -1.064 10.587 -3.505 1.00 71.05 C ATOM 609 CG TYR A 39 -1.506 10.312 -2.057 1.00 41.04 C ATOM 610 CD1 TYR A 39 -0.849 10.918 -0.977 1.00 3.11 C ATOM 611 CD2 TYR A 39 -2.587 9.473 -1.766 1.00 41.10 C ATOM 612 CE1 TYR A 39 -1.250 10.692 0.319 1.00 62.23 C ATOM 613 CE2 TYR A 39 -2.995 9.254 -0.464 1.00 23.24 C ATOM 614 CZ TYR A 39 -2.325 9.864 0.573 1.00 21.05 C ATOM 615 OH TYR A 39 -2.742 9.653 1.869 1.00 1.13 O ATOM 0 H TYR A 39 -2.804 12.459 -3.809 1.00 43.23 H new ATOM 0 HA TYR A 39 -0.003 12.398 -3.046 1.00 21.45 H new ATOM 0 HB2 TYR A 39 -1.853 10.263 -4.184 1.00 71.05 H new ATOM 0 HB3 TYR A 39 -0.184 9.983 -3.727 1.00 71.05 H new ATOM 0 HD1 TYR A 39 -0.013 11.574 -1.166 1.00 3.11 H new ATOM 0 HD2 TYR A 39 -3.113 8.987 -2.575 1.00 41.10 H new ATOM 0 HE1 TYR A 39 -0.724 11.162 1.137 1.00 62.23 H new ATOM 0 HE2 TYR A 39 -3.836 8.607 -0.261 1.00 23.24 H new ATOM 0 HH TYR A 39 -3.511 9.046 1.870 1.00 1.13 H new ATOM 625 N THR A 40 -0.985 12.505 -6.195 1.00 61.13 N ATOM 626 CA THR A 40 -0.543 12.658 -7.595 1.00 74.11 C ATOM 627 C THR A 40 0.341 13.912 -7.760 1.00 70.02 C ATOM 628 O THR A 40 1.389 13.857 -8.413 1.00 14.43 O ATOM 629 CB THR A 40 -1.765 12.723 -8.572 1.00 22.31 C ATOM 630 OG1 THR A 40 -2.571 11.540 -8.421 1.00 42.43 O ATOM 631 CG2 THR A 40 -1.324 12.848 -10.042 1.00 10.43 C ATOM 0 H THR A 40 -1.991 12.618 -6.067 1.00 61.13 H new ATOM 0 HA THR A 40 0.050 11.780 -7.850 1.00 74.11 H new ATOM 0 HB THR A 40 -2.341 13.612 -8.315 1.00 22.31 H new ATOM 0 HG1 THR A 40 -2.913 11.492 -7.504 1.00 42.43 H new ATOM 0 HG21 THR A 40 -2.204 12.890 -10.684 1.00 10.43 H new ATOM 0 HG22 THR A 40 -0.738 13.758 -10.170 1.00 10.43 H new ATOM 0 HG23 THR A 40 -0.717 11.985 -10.314 1.00 10.43 H new ATOM 639 N GLU A 41 -0.088 15.029 -7.143 1.00 62.43 N ATOM 640 CA GLU A 41 0.694 16.283 -7.114 1.00 53.44 C ATOM 641 C GLU A 41 1.971 16.108 -6.264 1.00 55.23 C ATOM 642 O GLU A 41 2.992 16.760 -6.523 1.00 1.13 O ATOM 643 CB GLU A 41 -0.170 17.460 -6.581 1.00 54.13 C ATOM 644 CG GLU A 41 -0.736 17.246 -5.164 1.00 61.24 C ATOM 645 CD GLU A 41 -1.486 18.462 -4.606 1.00 62.23 C ATOM 646 OE1 GLU A 41 -0.832 19.478 -4.326 1.00 73.10 O ATOM 647 OE2 GLU A 41 -2.724 18.409 -4.429 1.00 40.42 O ATOM 0 H GLU A 41 -0.981 15.090 -6.653 1.00 62.43 H new ATOM 0 HA GLU A 41 0.995 16.522 -8.134 1.00 53.44 H new ATOM 0 HB2 GLU A 41 0.433 18.368 -6.584 1.00 54.13 H new ATOM 0 HB3 GLU A 41 -0.999 17.626 -7.269 1.00 54.13 H new ATOM 0 HG2 GLU A 41 -1.411 16.390 -5.178 1.00 61.24 H new ATOM 0 HG3 GLU A 41 0.083 16.995 -4.490 1.00 61.24 H new ATOM 654 N ALA A 42 1.897 15.207 -5.254 1.00 22.23 N ATOM 655 CA ALA A 42 3.047 14.850 -4.410 1.00 61.32 C ATOM 656 C ALA A 42 4.099 14.077 -5.215 1.00 42.32 C ATOM 657 O ALA A 42 5.292 14.328 -5.070 1.00 34.51 O ATOM 658 CB ALA A 42 2.592 14.067 -3.167 1.00 62.43 C ATOM 0 H ALA A 42 1.039 14.713 -5.008 1.00 22.23 H new ATOM 0 HA ALA A 42 3.516 15.771 -4.063 1.00 61.32 H new ATOM 0 HB1 ALA A 42 3.460 13.814 -2.558 1.00 62.43 H new ATOM 0 HB2 ALA A 42 1.905 14.679 -2.583 1.00 62.43 H new ATOM 0 HB3 ALA A 42 2.088 13.152 -3.478 1.00 62.43 H new ATOM 664 N ILE A 43 3.621 13.179 -6.101 1.00 21.43 N ATOM 665 CA ILE A 43 4.460 12.397 -7.042 1.00 74.33 C ATOM 666 C ILE A 43 5.286 13.337 -7.951 1.00 60.44 C ATOM 667 O ILE A 43 6.417 13.024 -8.322 1.00 71.24 O ATOM 668 CB ILE A 43 3.545 11.397 -7.906 1.00 1.11 C ATOM 669 CG1 ILE A 43 3.504 9.962 -7.279 1.00 22.35 C ATOM 670 CG2 ILE A 43 3.957 11.309 -9.407 1.00 0.30 C ATOM 671 CD1 ILE A 43 2.895 9.846 -5.903 1.00 1.32 C ATOM 0 H ILE A 43 2.626 12.971 -6.187 1.00 21.43 H new ATOM 0 HA ILE A 43 5.164 11.796 -6.467 1.00 74.33 H new ATOM 0 HB ILE A 43 2.545 11.831 -7.875 1.00 1.11 H new ATOM 0 HG12 ILE A 43 2.949 9.310 -7.954 1.00 22.35 H new ATOM 0 HG13 ILE A 43 4.524 9.580 -7.234 1.00 22.35 H new ATOM 0 HG21 ILE A 43 3.295 10.616 -9.926 1.00 0.30 H new ATOM 0 HG22 ILE A 43 3.880 12.296 -9.864 1.00 0.30 H new ATOM 0 HG23 ILE A 43 4.985 10.954 -9.482 1.00 0.30 H new ATOM 0 HD11 ILE A 43 2.925 8.806 -5.578 1.00 1.32 H new ATOM 0 HD12 ILE A 43 3.460 10.461 -5.202 1.00 1.32 H new ATOM 0 HD13 ILE A 43 1.860 10.187 -5.933 1.00 1.32 H new ATOM 683 N LYS A 44 4.710 14.500 -8.280 1.00 44.20 N ATOM 684 CA LYS A 44 5.347 15.489 -9.172 1.00 5.24 C ATOM 685 C LYS A 44 6.545 16.182 -8.491 1.00 43.01 C ATOM 686 O LYS A 44 7.440 16.706 -9.161 1.00 45.40 O ATOM 687 CB LYS A 44 4.296 16.524 -9.636 1.00 34.13 C ATOM 688 CG LYS A 44 3.042 15.903 -10.292 1.00 52.31 C ATOM 689 CD LYS A 44 3.368 15.000 -11.508 1.00 53.14 C ATOM 690 CE LYS A 44 2.117 14.319 -12.090 1.00 53.13 C ATOM 691 NZ LYS A 44 1.102 15.303 -12.551 1.00 15.31 N ATOM 0 H LYS A 44 3.792 14.786 -7.939 1.00 44.20 H new ATOM 0 HA LYS A 44 5.738 14.964 -10.044 1.00 5.24 H new ATOM 0 HB2 LYS A 44 3.986 17.120 -8.778 1.00 34.13 H new ATOM 0 HB3 LYS A 44 4.763 17.207 -10.346 1.00 34.13 H new ATOM 0 HG2 LYS A 44 2.504 15.317 -9.547 1.00 52.31 H new ATOM 0 HG3 LYS A 44 2.374 16.703 -10.611 1.00 52.31 H new ATOM 0 HD2 LYS A 44 3.845 15.599 -12.283 1.00 53.14 H new ATOM 0 HD3 LYS A 44 4.086 14.237 -11.207 1.00 53.14 H new ATOM 0 HE2 LYS A 44 2.408 13.682 -12.925 1.00 53.13 H new ATOM 0 HE3 LYS A 44 1.674 13.671 -11.334 1.00 53.13 H new ATOM 0 HZ1 LYS A 44 0.324 14.802 -13.026 1.00 15.31 H new ATOM 0 HZ2 LYS A 44 0.729 15.826 -11.733 1.00 15.31 H new ATOM 0 HZ3 LYS A 44 1.542 15.970 -13.217 1.00 15.31 H new ATOM 705 N ARG A 45 6.542 16.176 -7.151 1.00 12.44 N ATOM 706 CA ARG A 45 7.639 16.719 -6.329 1.00 41.01 C ATOM 707 C ARG A 45 8.626 15.620 -5.920 1.00 31.32 C ATOM 708 O ARG A 45 9.825 15.882 -5.778 1.00 13.41 O ATOM 709 CB ARG A 45 7.054 17.416 -5.083 1.00 4.01 C ATOM 710 CG ARG A 45 6.319 18.726 -5.400 1.00 51.34 C ATOM 711 CD ARG A 45 7.280 19.822 -5.911 1.00 21.43 C ATOM 712 NE ARG A 45 6.578 21.052 -6.312 1.00 72.13 N ATOM 713 CZ ARG A 45 6.975 21.888 -7.287 1.00 61.30 C ATOM 714 NH1 ARG A 45 8.079 21.647 -7.987 1.00 55.45 N ATOM 715 NH2 ARG A 45 6.266 22.973 -7.538 1.00 73.05 N ATOM 0 H ARG A 45 5.774 15.792 -6.600 1.00 12.44 H new ATOM 0 HA ARG A 45 8.190 17.448 -6.923 1.00 41.01 H new ATOM 0 HB2 ARG A 45 6.365 16.734 -4.585 1.00 4.01 H new ATOM 0 HB3 ARG A 45 7.861 17.623 -4.380 1.00 4.01 H new ATOM 0 HG2 ARG A 45 5.552 18.538 -6.151 1.00 51.34 H new ATOM 0 HG3 ARG A 45 5.808 19.081 -4.505 1.00 51.34 H new ATOM 0 HD2 ARG A 45 8.002 20.059 -5.130 1.00 21.43 H new ATOM 0 HD3 ARG A 45 7.844 19.437 -6.761 1.00 21.43 H new ATOM 0 HE ARG A 45 5.722 21.289 -5.810 1.00 72.13 H new ATOM 0 HH11 ARG A 45 8.639 20.818 -7.788 1.00 55.45 H new ATOM 0 HH12 ARG A 45 8.367 22.291 -8.724 1.00 55.45 H new ATOM 0 HH21 ARG A 45 5.426 23.170 -6.994 1.00 73.05 H new ATOM 0 HH22 ARG A 45 6.558 23.614 -8.276 1.00 73.05 H new ATOM 729 N ASN A 46 8.114 14.396 -5.732 1.00 22.44 N ATOM 730 CA ASN A 46 8.939 13.220 -5.370 1.00 14.33 C ATOM 731 C ASN A 46 8.626 11.993 -6.274 1.00 13.03 C ATOM 732 O ASN A 46 8.017 11.016 -5.836 1.00 75.03 O ATOM 733 CB ASN A 46 8.837 12.922 -3.830 1.00 74.25 C ATOM 734 CG ASN A 46 7.418 12.887 -3.211 1.00 22.24 C ATOM 735 OD1 ASN A 46 7.192 13.474 -2.160 1.00 51.32 O ATOM 736 ND2 ASN A 46 6.477 12.152 -3.787 1.00 44.20 N ATOM 0 H ASN A 46 7.120 14.187 -5.825 1.00 22.44 H new ATOM 0 HA ASN A 46 9.985 13.454 -5.566 1.00 14.33 H new ATOM 0 HB2 ASN A 46 9.313 11.960 -3.639 1.00 74.25 H new ATOM 0 HB3 ASN A 46 9.419 13.676 -3.300 1.00 74.25 H new ATOM 0 HD21 ASN A 46 5.556 12.072 -3.355 1.00 44.20 H new ATOM 0 HD22 ASN A 46 6.674 11.666 -4.662 1.00 44.20 H new ATOM 743 N PRO A 47 9.090 12.008 -7.579 1.00 2.14 N ATOM 744 CA PRO A 47 8.784 10.923 -8.559 1.00 24.51 C ATOM 745 C PRO A 47 9.581 9.624 -8.309 1.00 51.13 C ATOM 746 O PRO A 47 9.406 8.635 -9.027 1.00 63.41 O ATOM 747 CB PRO A 47 9.167 11.572 -9.910 1.00 11.54 C ATOM 748 CG PRO A 47 10.291 12.496 -9.565 1.00 65.12 C ATOM 749 CD PRO A 47 9.945 13.066 -8.200 1.00 61.13 C ATOM 0 HA PRO A 47 7.746 10.596 -8.500 1.00 24.51 H new ATOM 0 HB2 PRO A 47 9.476 10.823 -10.639 1.00 11.54 H new ATOM 0 HB3 PRO A 47 8.326 12.112 -10.345 1.00 11.54 H new ATOM 0 HG2 PRO A 47 11.242 11.964 -9.538 1.00 65.12 H new ATOM 0 HG3 PRO A 47 10.390 13.288 -10.307 1.00 65.12 H new ATOM 0 HD2 PRO A 47 10.840 13.256 -7.607 1.00 61.13 H new ATOM 0 HD3 PRO A 47 9.412 14.013 -8.285 1.00 61.13 H new ATOM 757 N LYS A 48 10.466 9.645 -7.299 1.00 61.43 N ATOM 758 CA LYS A 48 11.254 8.467 -6.893 1.00 22.13 C ATOM 759 C LYS A 48 10.636 7.815 -5.644 1.00 62.14 C ATOM 760 O LYS A 48 10.840 6.621 -5.401 1.00 63.42 O ATOM 761 CB LYS A 48 12.735 8.856 -6.612 1.00 44.35 C ATOM 762 CG LYS A 48 13.517 9.449 -7.822 1.00 42.35 C ATOM 763 CD LYS A 48 13.235 10.948 -8.084 1.00 24.44 C ATOM 764 CE LYS A 48 13.614 11.862 -6.907 1.00 63.22 C ATOM 765 NZ LYS A 48 15.050 11.755 -6.552 1.00 33.50 N ATOM 0 H LYS A 48 10.656 10.477 -6.741 1.00 61.43 H new ATOM 0 HA LYS A 48 11.237 7.751 -7.714 1.00 22.13 H new ATOM 0 HB2 LYS A 48 12.753 9.582 -5.800 1.00 44.35 H new ATOM 0 HB3 LYS A 48 13.264 7.970 -6.260 1.00 44.35 H new ATOM 0 HG2 LYS A 48 14.585 9.316 -7.651 1.00 42.35 H new ATOM 0 HG3 LYS A 48 13.265 8.881 -8.717 1.00 42.35 H new ATOM 0 HD2 LYS A 48 13.787 11.263 -8.970 1.00 24.44 H new ATOM 0 HD3 LYS A 48 12.176 11.076 -8.306 1.00 24.44 H new ATOM 0 HE2 LYS A 48 13.381 12.896 -7.163 1.00 63.22 H new ATOM 0 HE3 LYS A 48 13.007 11.604 -6.039 1.00 63.22 H new ATOM 0 HZ1 LYS A 48 15.270 12.426 -5.788 1.00 33.50 H new ATOM 0 HZ2 LYS A 48 15.258 10.787 -6.233 1.00 33.50 H new ATOM 0 HZ3 LYS A 48 15.631 11.977 -7.385 1.00 33.50 H new ATOM 779 N ASP A 49 9.884 8.620 -4.863 1.00 34.53 N ATOM 780 CA ASP A 49 9.302 8.203 -3.566 1.00 24.11 C ATOM 781 C ASP A 49 8.140 7.227 -3.818 1.00 4.14 C ATOM 782 O ASP A 49 6.986 7.638 -3.980 1.00 22.12 O ATOM 783 CB ASP A 49 8.829 9.459 -2.774 1.00 72.50 C ATOM 784 CG ASP A 49 8.631 9.214 -1.273 1.00 52.24 C ATOM 785 OD1 ASP A 49 9.619 8.858 -0.600 1.00 71.12 O ATOM 786 OD2 ASP A 49 7.511 9.406 -0.751 1.00 44.43 O ATOM 0 H ASP A 49 9.662 9.583 -5.115 1.00 34.53 H new ATOM 0 HA ASP A 49 10.054 7.691 -2.966 1.00 24.11 H new ATOM 0 HB2 ASP A 49 9.560 10.256 -2.908 1.00 72.50 H new ATOM 0 HB3 ASP A 49 7.890 9.812 -3.201 1.00 72.50 H new ATOM 791 N ALA A 50 8.476 5.933 -3.900 1.00 62.44 N ATOM 792 CA ALA A 50 7.579 4.911 -4.446 1.00 60.10 C ATOM 793 C ALA A 50 6.478 4.488 -3.470 1.00 71.52 C ATOM 794 O ALA A 50 5.411 4.066 -3.917 1.00 73.03 O ATOM 795 CB ALA A 50 8.385 3.718 -4.923 1.00 43.30 C ATOM 0 H ALA A 50 9.376 5.567 -3.590 1.00 62.44 H new ATOM 0 HA ALA A 50 7.061 5.357 -5.295 1.00 60.10 H new ATOM 0 HB1 ALA A 50 7.712 2.962 -5.328 1.00 43.30 H new ATOM 0 HB2 ALA A 50 9.081 4.036 -5.699 1.00 43.30 H new ATOM 0 HB3 ALA A 50 8.942 3.297 -4.086 1.00 43.30 H new ATOM 801 N LYS A 51 6.716 4.590 -2.145 1.00 43.23 N ATOM 802 CA LYS A 51 5.652 4.285 -1.148 1.00 41.44 C ATOM 803 C LYS A 51 4.492 5.299 -1.276 1.00 23.14 C ATOM 804 O LYS A 51 3.357 5.005 -0.891 1.00 11.12 O ATOM 805 CB LYS A 51 6.181 4.235 0.324 1.00 10.50 C ATOM 806 CG LYS A 51 6.453 5.606 1.001 1.00 1.21 C ATOM 807 CD LYS A 51 7.732 6.297 0.492 1.00 12.44 C ATOM 808 CE LYS A 51 9.015 5.669 1.047 1.00 63.41 C ATOM 809 NZ LYS A 51 10.230 6.273 0.438 1.00 32.02 N ATOM 0 H LYS A 51 7.609 4.873 -1.742 1.00 43.23 H new ATOM 0 HA LYS A 51 5.287 3.283 -1.376 1.00 41.44 H new ATOM 0 HB2 LYS A 51 5.457 3.691 0.930 1.00 10.50 H new ATOM 0 HB3 LYS A 51 7.105 3.657 0.337 1.00 10.50 H new ATOM 0 HG2 LYS A 51 5.601 6.263 0.829 1.00 1.21 H new ATOM 0 HG3 LYS A 51 6.531 5.462 2.079 1.00 1.21 H new ATOM 0 HD2 LYS A 51 7.754 6.252 -0.597 1.00 12.44 H new ATOM 0 HD3 LYS A 51 7.702 7.351 0.767 1.00 12.44 H new ATOM 0 HE2 LYS A 51 9.046 5.800 2.129 1.00 63.41 H new ATOM 0 HE3 LYS A 51 9.007 4.596 0.856 1.00 63.41 H new ATOM 0 HZ1 LYS A 51 11.023 6.209 1.108 1.00 32.02 H new ATOM 0 HZ2 LYS A 51 10.472 5.761 -0.434 1.00 32.02 H new ATOM 0 HZ3 LYS A 51 10.046 7.272 0.214 1.00 32.02 H new ATOM 823 N LEU A 52 4.807 6.489 -1.841 1.00 44.11 N ATOM 824 CA LEU A 52 3.825 7.543 -2.134 1.00 44.12 C ATOM 825 C LEU A 52 2.951 7.121 -3.341 1.00 0.51 C ATOM 826 O LEU A 52 1.744 7.413 -3.384 1.00 1.30 O ATOM 827 CB LEU A 52 4.566 8.907 -2.380 1.00 5.41 C ATOM 828 CG LEU A 52 3.983 10.154 -1.638 1.00 2.40 C ATOM 829 CD1 LEU A 52 2.562 10.506 -2.125 1.00 33.44 C ATOM 830 CD2 LEU A 52 4.016 9.943 -0.099 1.00 33.12 C ATOM 0 H LEU A 52 5.760 6.740 -2.106 1.00 44.11 H new ATOM 0 HA LEU A 52 3.160 7.684 -1.282 1.00 44.12 H new ATOM 0 HB2 LEU A 52 5.608 8.789 -2.084 1.00 5.41 H new ATOM 0 HB3 LEU A 52 4.560 9.112 -3.451 1.00 5.41 H new ATOM 0 HG LEU A 52 4.619 11.005 -1.880 1.00 2.40 H new ATOM 0 HD11 LEU A 52 2.197 11.378 -1.582 1.00 33.44 H new ATOM 0 HD12 LEU A 52 2.587 10.727 -3.192 1.00 33.44 H new ATOM 0 HD13 LEU A 52 1.896 9.662 -1.945 1.00 33.44 H new ATOM 0 HD21 LEU A 52 3.606 10.822 0.398 1.00 33.12 H new ATOM 0 HD22 LEU A 52 3.420 9.068 0.161 1.00 33.12 H new ATOM 0 HD23 LEU A 52 5.045 9.790 0.225 1.00 33.12 H new ATOM 842 N TYR A 53 3.585 6.432 -4.314 1.00 71.02 N ATOM 843 CA TYR A 53 2.881 5.785 -5.439 1.00 14.30 C ATOM 844 C TYR A 53 1.935 4.682 -4.919 1.00 55.21 C ATOM 845 O TYR A 53 0.771 4.618 -5.306 1.00 43.32 O ATOM 846 CB TYR A 53 3.885 5.173 -6.460 1.00 40.12 C ATOM 847 CG TYR A 53 4.597 6.187 -7.365 1.00 51.10 C ATOM 848 CD1 TYR A 53 5.745 6.867 -6.951 1.00 41.11 C ATOM 849 CD2 TYR A 53 4.124 6.450 -8.651 1.00 25.14 C ATOM 850 CE1 TYR A 53 6.389 7.765 -7.785 1.00 54.43 C ATOM 851 CE2 TYR A 53 4.764 7.335 -9.486 1.00 22.22 C ATOM 852 CZ TYR A 53 5.893 7.991 -9.057 1.00 2.02 C ATOM 853 OH TYR A 53 6.528 8.874 -9.907 1.00 5.21 O ATOM 0 H TYR A 53 4.597 6.310 -4.341 1.00 71.02 H new ATOM 0 HA TYR A 53 2.298 6.553 -5.947 1.00 14.30 H new ATOM 0 HB2 TYR A 53 4.639 4.609 -5.910 1.00 40.12 H new ATOM 0 HB3 TYR A 53 3.350 4.462 -7.089 1.00 40.12 H new ATOM 0 HD1 TYR A 53 6.138 6.689 -5.961 1.00 41.11 H new ATOM 0 HD2 TYR A 53 3.234 5.946 -8.999 1.00 25.14 H new ATOM 0 HE1 TYR A 53 7.272 8.285 -7.445 1.00 54.43 H new ATOM 0 HE2 TYR A 53 4.380 7.515 -10.479 1.00 22.22 H new ATOM 0 HH TYR A 53 7.497 8.825 -9.766 1.00 5.21 H new ATOM 863 N SER A 54 2.459 3.838 -4.021 1.00 44.11 N ATOM 864 CA SER A 54 1.722 2.696 -3.450 1.00 22.31 C ATOM 865 C SER A 54 0.619 3.162 -2.469 1.00 21.51 C ATOM 866 O SER A 54 -0.309 2.402 -2.169 1.00 63.15 O ATOM 867 CB SER A 54 2.708 1.731 -2.749 1.00 14.21 C ATOM 868 OG SER A 54 2.072 0.520 -2.368 1.00 21.53 O ATOM 0 H SER A 54 3.411 3.926 -3.666 1.00 44.11 H new ATOM 0 HA SER A 54 1.227 2.169 -4.266 1.00 22.31 H new ATOM 0 HB2 SER A 54 3.540 1.511 -3.418 1.00 14.21 H new ATOM 0 HB3 SER A 54 3.127 2.216 -1.867 1.00 14.21 H new ATOM 0 HG SER A 54 2.236 -0.164 -3.050 1.00 21.53 H new ATOM 874 N ASN A 55 0.748 4.405 -1.962 1.00 54.20 N ATOM 875 CA ASN A 55 -0.224 5.007 -1.019 1.00 70.22 C ATOM 876 C ASN A 55 -1.592 5.223 -1.708 1.00 2.11 C ATOM 877 O ASN A 55 -2.646 5.014 -1.093 1.00 21.41 O ATOM 878 CB ASN A 55 0.334 6.353 -0.466 1.00 31.44 C ATOM 879 CG ASN A 55 -0.382 6.871 0.795 1.00 12.53 C ATOM 880 OD1 ASN A 55 -1.546 6.573 1.055 1.00 54.35 O ATOM 881 ND2 ASN A 55 0.310 7.682 1.576 1.00 55.44 N ATOM 0 H ASN A 55 1.527 5.021 -2.193 1.00 54.20 H new ATOM 0 HA ASN A 55 -0.373 4.322 -0.185 1.00 70.22 H new ATOM 0 HB2 ASN A 55 1.393 6.228 -0.241 1.00 31.44 H new ATOM 0 HB3 ASN A 55 0.261 7.110 -1.247 1.00 31.44 H new ATOM 0 HD21 ASN A 55 -0.121 8.074 2.413 1.00 55.44 H new ATOM 0 HD22 ASN A 55 1.275 7.916 1.341 1.00 55.44 H new ATOM 888 N ARG A 56 -1.565 5.620 -2.999 1.00 33.41 N ATOM 889 CA ARG A 56 -2.802 5.828 -3.787 1.00 14.51 C ATOM 890 C ARG A 56 -3.480 4.469 -4.081 1.00 41.13 C ATOM 891 O ARG A 56 -4.705 4.396 -4.207 1.00 52.34 O ATOM 892 CB ARG A 56 -2.509 6.615 -5.098 1.00 63.15 C ATOM 893 CG ARG A 56 -1.990 5.765 -6.285 1.00 54.14 C ATOM 894 CD ARG A 56 -1.516 6.614 -7.472 1.00 71.12 C ATOM 895 NE ARG A 56 -1.192 5.799 -8.657 1.00 63.44 N ATOM 896 CZ ARG A 56 -0.006 5.226 -8.924 1.00 72.12 C ATOM 897 NH1 ARG A 56 1.016 5.330 -8.105 1.00 74.24 N ATOM 898 NH2 ARG A 56 0.152 4.583 -10.060 1.00 43.23 N ATOM 0 H ARG A 56 -0.705 5.802 -3.516 1.00 33.41 H new ATOM 0 HA ARG A 56 -3.491 6.433 -3.198 1.00 14.51 H new ATOM 0 HB2 ARG A 56 -3.423 7.122 -5.409 1.00 63.15 H new ATOM 0 HB3 ARG A 56 -1.774 7.389 -4.880 1.00 63.15 H new ATOM 0 HG2 ARG A 56 -1.167 5.138 -5.943 1.00 54.14 H new ATOM 0 HG3 ARG A 56 -2.783 5.095 -6.619 1.00 54.14 H new ATOM 0 HD2 ARG A 56 -2.292 7.334 -7.732 1.00 71.12 H new ATOM 0 HD3 ARG A 56 -0.636 7.186 -7.177 1.00 71.12 H new ATOM 0 HE ARG A 56 -1.938 5.657 -9.338 1.00 63.44 H new ATOM 0 HH11 ARG A 56 0.922 5.858 -7.237 1.00 74.24 H new ATOM 0 HH12 ARG A 56 1.903 4.883 -8.337 1.00 74.24 H new ATOM 0 HH21 ARG A 56 -0.620 4.524 -10.724 1.00 43.23 H new ATOM 0 HH22 ARG A 56 1.046 4.143 -10.277 1.00 43.23 H new ATOM 912 N ALA A 57 -2.656 3.396 -4.172 1.00 75.52 N ATOM 913 CA ALA A 57 -3.140 2.008 -4.310 1.00 74.53 C ATOM 914 C ALA A 57 -3.862 1.566 -3.029 1.00 42.25 C ATOM 915 O ALA A 57 -4.922 0.929 -3.075 1.00 54.32 O ATOM 916 CB ALA A 57 -1.977 1.064 -4.637 1.00 13.33 C ATOM 0 H ALA A 57 -1.639 3.473 -4.151 1.00 75.52 H new ATOM 0 HA ALA A 57 -3.851 1.966 -5.135 1.00 74.53 H new ATOM 0 HB1 ALA A 57 -2.352 0.045 -4.735 1.00 13.33 H new ATOM 0 HB2 ALA A 57 -1.511 1.371 -5.573 1.00 13.33 H new ATOM 0 HB3 ALA A 57 -1.240 1.104 -3.835 1.00 13.33 H new ATOM 922 N ALA A 58 -3.281 1.961 -1.884 1.00 51.44 N ATOM 923 CA ALA A 58 -3.862 1.732 -0.550 1.00 32.43 C ATOM 924 C ALA A 58 -5.187 2.510 -0.375 1.00 11.20 C ATOM 925 O ALA A 58 -6.016 2.152 0.464 1.00 4.23 O ATOM 926 CB ALA A 58 -2.847 2.132 0.532 1.00 52.11 C ATOM 0 H ALA A 58 -2.388 2.452 -1.858 1.00 51.44 H new ATOM 0 HA ALA A 58 -4.091 0.671 -0.448 1.00 32.43 H new ATOM 0 HB1 ALA A 58 -3.280 1.961 1.518 1.00 52.11 H new ATOM 0 HB2 ALA A 58 -1.944 1.532 0.423 1.00 52.11 H new ATOM 0 HB3 ALA A 58 -2.596 3.187 0.423 1.00 52.11 H new ATOM 932 N CYS A 59 -5.350 3.593 -1.159 1.00 53.14 N ATOM 933 CA CYS A 59 -6.602 4.366 -1.221 1.00 45.51 C ATOM 934 C CYS A 59 -7.627 3.696 -2.165 1.00 53.15 C ATOM 935 O CYS A 59 -8.827 3.692 -1.868 1.00 22.30 O ATOM 936 CB CYS A 59 -6.315 5.813 -1.667 1.00 41.54 C ATOM 937 SG CYS A 59 -7.782 6.858 -1.752 1.00 13.13 S ATOM 0 H CYS A 59 -4.616 3.956 -1.767 1.00 53.14 H new ATOM 0 HA CYS A 59 -7.037 4.388 -0.222 1.00 45.51 H new ATOM 0 HB2 CYS A 59 -5.602 6.261 -0.975 1.00 41.54 H new ATOM 0 HB3 CYS A 59 -5.839 5.793 -2.647 1.00 41.54 H new ATOM 0 HG CYS A 59 -7.462 8.081 -1.447 1.00 13.13 H new ATOM 943 N TYR A 60 -7.146 3.113 -3.296 1.00 33.25 N ATOM 944 CA TYR A 60 -8.020 2.429 -4.290 1.00 4.54 C ATOM 945 C TYR A 60 -8.849 1.299 -3.659 1.00 20.00 C ATOM 946 O TYR A 60 -9.969 1.047 -4.100 1.00 0.41 O ATOM 947 CB TYR A 60 -7.211 1.871 -5.491 1.00 53.11 C ATOM 948 CG TYR A 60 -6.655 2.935 -6.452 1.00 33.52 C ATOM 949 CD1 TYR A 60 -7.431 4.027 -6.865 1.00 24.11 C ATOM 950 CD2 TYR A 60 -5.368 2.831 -6.975 1.00 43.12 C ATOM 951 CE1 TYR A 60 -6.929 4.967 -7.749 1.00 23.43 C ATOM 952 CE2 TYR A 60 -4.871 3.770 -7.849 1.00 14.54 C ATOM 953 CZ TYR A 60 -5.650 4.831 -8.235 1.00 4.12 C ATOM 954 OH TYR A 60 -5.139 5.764 -9.112 1.00 24.15 O ATOM 0 H TYR A 60 -6.156 3.103 -3.543 1.00 33.25 H new ATOM 0 HA TYR A 60 -8.705 3.194 -4.656 1.00 4.54 H new ATOM 0 HB2 TYR A 60 -6.379 1.281 -5.106 1.00 53.11 H new ATOM 0 HB3 TYR A 60 -7.850 1.192 -6.056 1.00 53.11 H new ATOM 0 HD1 TYR A 60 -8.437 4.137 -6.487 1.00 24.11 H new ATOM 0 HD2 TYR A 60 -4.747 1.995 -6.688 1.00 43.12 H new ATOM 0 HE1 TYR A 60 -7.539 5.804 -8.056 1.00 23.43 H new ATOM 0 HE2 TYR A 60 -3.866 3.672 -8.232 1.00 14.54 H new ATOM 0 HH TYR A 60 -4.222 5.517 -9.355 1.00 24.15 H new ATOM 964 N THR A 61 -8.298 0.634 -2.621 1.00 13.01 N ATOM 965 CA THR A 61 -9.026 -0.404 -1.860 1.00 23.32 C ATOM 966 C THR A 61 -10.344 0.161 -1.281 1.00 53.22 C ATOM 967 O THR A 61 -11.390 -0.501 -1.323 1.00 35.43 O ATOM 968 CB THR A 61 -8.162 -0.989 -0.688 1.00 23.34 C ATOM 969 OG1 THR A 61 -7.808 0.047 0.236 1.00 4.41 O ATOM 970 CG2 THR A 61 -6.888 -1.681 -1.193 1.00 15.25 C ATOM 0 H THR A 61 -7.347 0.799 -2.290 1.00 13.01 H new ATOM 0 HA THR A 61 -9.247 -1.208 -2.562 1.00 23.32 H new ATOM 0 HB THR A 61 -8.774 -1.739 -0.187 1.00 23.34 H new ATOM 0 HG1 THR A 61 -7.084 0.589 -0.142 1.00 4.41 H new ATOM 0 HG21 THR A 61 -6.324 -2.069 -0.345 1.00 15.25 H new ATOM 0 HG22 THR A 61 -7.159 -2.503 -1.856 1.00 15.25 H new ATOM 0 HG23 THR A 61 -6.275 -0.963 -1.738 1.00 15.25 H new ATOM 978 N LYS A 62 -10.284 1.427 -0.805 1.00 61.34 N ATOM 979 CA LYS A 62 -11.427 2.113 -0.155 1.00 43.34 C ATOM 980 C LYS A 62 -12.531 2.394 -1.178 1.00 41.44 C ATOM 981 O LYS A 62 -13.720 2.387 -0.851 1.00 15.13 O ATOM 982 CB LYS A 62 -10.960 3.441 0.503 1.00 1.21 C ATOM 983 CG LYS A 62 -9.702 3.300 1.387 1.00 51.34 C ATOM 984 CD LYS A 62 -9.875 2.270 2.524 1.00 45.34 C ATOM 985 CE LYS A 62 -8.574 2.033 3.302 1.00 53.34 C ATOM 986 NZ LYS A 62 -8.755 1.012 4.366 1.00 32.43 N ATOM 0 H LYS A 62 -9.443 2.001 -0.860 1.00 61.34 H new ATOM 0 HA LYS A 62 -11.825 1.459 0.621 1.00 43.34 H new ATOM 0 HB2 LYS A 62 -10.760 4.171 -0.281 1.00 1.21 H new ATOM 0 HB3 LYS A 62 -11.774 3.839 1.109 1.00 1.21 H new ATOM 0 HG2 LYS A 62 -8.858 3.006 0.763 1.00 51.34 H new ATOM 0 HG3 LYS A 62 -9.457 4.271 1.818 1.00 51.34 H new ATOM 0 HD2 LYS A 62 -10.647 2.617 3.210 1.00 45.34 H new ATOM 0 HD3 LYS A 62 -10.222 1.325 2.105 1.00 45.34 H new ATOM 0 HE2 LYS A 62 -7.792 1.710 2.615 1.00 53.34 H new ATOM 0 HE3 LYS A 62 -8.240 2.970 3.748 1.00 53.34 H new ATOM 0 HZ1 LYS A 62 -7.857 0.876 4.873 1.00 32.43 H new ATOM 0 HZ2 LYS A 62 -9.484 1.333 5.034 1.00 32.43 H new ATOM 0 HZ3 LYS A 62 -9.050 0.112 3.937 1.00 32.43 H new ATOM 1000 N LEU A 63 -12.099 2.624 -2.426 1.00 1.51 N ATOM 1001 CA LEU A 63 -12.987 2.888 -3.566 1.00 53.14 C ATOM 1002 C LEU A 63 -13.459 1.576 -4.219 1.00 64.23 C ATOM 1003 O LEU A 63 -14.129 1.615 -5.256 1.00 53.21 O ATOM 1004 CB LEU A 63 -12.241 3.764 -4.602 1.00 73.01 C ATOM 1005 CG LEU A 63 -11.565 5.055 -4.042 1.00 44.15 C ATOM 1006 CD1 LEU A 63 -10.813 5.796 -5.156 1.00 12.40 C ATOM 1007 CD2 LEU A 63 -12.585 5.980 -3.328 1.00 21.43 C ATOM 0 H LEU A 63 -11.110 2.632 -2.675 1.00 1.51 H new ATOM 0 HA LEU A 63 -13.870 3.416 -3.207 1.00 53.14 H new ATOM 0 HB2 LEU A 63 -11.475 3.154 -5.080 1.00 73.01 H new ATOM 0 HB3 LEU A 63 -12.948 4.055 -5.379 1.00 73.01 H new ATOM 0 HG LEU A 63 -10.839 4.750 -3.288 1.00 44.15 H new ATOM 0 HD11 LEU A 63 -10.348 6.693 -4.747 1.00 12.40 H new ATOM 0 HD12 LEU A 63 -10.043 5.145 -5.570 1.00 12.40 H new ATOM 0 HD13 LEU A 63 -11.513 6.077 -5.943 1.00 12.40 H new ATOM 0 HD21 LEU A 63 -12.073 6.866 -2.954 1.00 21.43 H new ATOM 0 HD22 LEU A 63 -13.360 6.280 -4.033 1.00 21.43 H new ATOM 0 HD23 LEU A 63 -13.040 5.445 -2.495 1.00 21.43 H new ATOM 1019 N LEU A 64 -13.083 0.421 -3.601 1.00 42.52 N ATOM 1020 CA LEU A 64 -13.397 -0.938 -4.099 1.00 23.43 C ATOM 1021 C LEU A 64 -12.658 -1.244 -5.421 1.00 71.31 C ATOM 1022 O LEU A 64 -12.936 -2.255 -6.064 1.00 72.22 O ATOM 1023 CB LEU A 64 -14.947 -1.186 -4.227 1.00 62.20 C ATOM 1024 CG LEU A 64 -15.760 -1.373 -2.890 1.00 25.32 C ATOM 1025 CD1 LEU A 64 -15.221 -2.563 -2.063 1.00 35.41 C ATOM 1026 CD2 LEU A 64 -15.807 -0.076 -2.042 1.00 3.14 C ATOM 0 H LEU A 64 -12.547 0.414 -2.733 1.00 42.52 H new ATOM 0 HA LEU A 64 -13.030 -1.639 -3.350 1.00 23.43 H new ATOM 0 HB2 LEU A 64 -15.380 -0.346 -4.771 1.00 62.20 H new ATOM 0 HB3 LEU A 64 -15.097 -2.074 -4.841 1.00 62.20 H new ATOM 0 HG LEU A 64 -16.786 -1.601 -3.177 1.00 25.32 H new ATOM 0 HD11 LEU A 64 -15.804 -2.664 -1.148 1.00 35.41 H new ATOM 0 HD12 LEU A 64 -15.303 -3.479 -2.648 1.00 35.41 H new ATOM 0 HD13 LEU A 64 -14.176 -2.386 -1.810 1.00 35.41 H new ATOM 0 HD21 LEU A 64 -16.378 -0.257 -1.132 1.00 3.14 H new ATOM 0 HD22 LEU A 64 -14.792 0.224 -1.780 1.00 3.14 H new ATOM 0 HD23 LEU A 64 -16.283 0.718 -2.617 1.00 3.14 H new ATOM 1038 N GLU A 65 -11.678 -0.389 -5.780 1.00 61.41 N ATOM 1039 CA GLU A 65 -10.845 -0.527 -6.985 1.00 62.15 C ATOM 1040 C GLU A 65 -9.594 -1.378 -6.682 1.00 12.20 C ATOM 1041 O GLU A 65 -8.467 -0.987 -7.001 1.00 65.23 O ATOM 1042 CB GLU A 65 -10.444 0.894 -7.485 1.00 31.32 C ATOM 1043 CG GLU A 65 -11.622 1.779 -7.935 1.00 41.44 C ATOM 1044 CD GLU A 65 -12.395 1.179 -9.124 1.00 71.23 C ATOM 1045 OE1 GLU A 65 -11.857 1.182 -10.249 1.00 72.23 O ATOM 1046 OE2 GLU A 65 -13.528 0.684 -8.938 1.00 21.22 O ATOM 0 H GLU A 65 -11.441 0.434 -5.225 1.00 61.41 H new ATOM 0 HA GLU A 65 -11.409 -1.037 -7.766 1.00 62.15 H new ATOM 0 HB2 GLU A 65 -9.908 1.406 -6.686 1.00 31.32 H new ATOM 0 HB3 GLU A 65 -9.749 0.788 -8.318 1.00 31.32 H new ATOM 0 HG2 GLU A 65 -12.305 1.921 -7.097 1.00 41.44 H new ATOM 0 HG3 GLU A 65 -11.246 2.764 -8.211 1.00 41.44 H new ATOM 1053 N PHE A 66 -9.827 -2.566 -6.097 1.00 42.24 N ATOM 1054 CA PHE A 66 -8.767 -3.509 -5.692 1.00 22.03 C ATOM 1055 C PHE A 66 -7.890 -3.941 -6.880 1.00 20.14 C ATOM 1056 O PHE A 66 -6.695 -4.196 -6.703 1.00 12.43 O ATOM 1057 CB PHE A 66 -9.379 -4.751 -5.006 1.00 52.21 C ATOM 1058 CG PHE A 66 -9.909 -4.501 -3.599 1.00 55.11 C ATOM 1059 CD1 PHE A 66 -11.188 -3.994 -3.387 1.00 3.24 C ATOM 1060 CD2 PHE A 66 -9.116 -4.778 -2.482 1.00 65.41 C ATOM 1061 CE1 PHE A 66 -11.657 -3.773 -2.110 1.00 54.21 C ATOM 1062 CE2 PHE A 66 -9.587 -4.555 -1.205 1.00 42.45 C ATOM 1063 CZ PHE A 66 -10.858 -4.052 -1.021 1.00 61.13 C ATOM 0 H PHE A 66 -10.767 -2.903 -5.889 1.00 42.24 H new ATOM 0 HA PHE A 66 -8.126 -2.985 -4.983 1.00 22.03 H new ATOM 0 HB2 PHE A 66 -10.193 -5.128 -5.625 1.00 52.21 H new ATOM 0 HB3 PHE A 66 -8.623 -5.535 -4.962 1.00 52.21 H new ATOM 0 HD1 PHE A 66 -11.821 -3.771 -4.234 1.00 3.24 H new ATOM 0 HD2 PHE A 66 -8.120 -5.172 -2.621 1.00 65.41 H new ATOM 0 HE1 PHE A 66 -12.652 -3.381 -1.962 1.00 54.21 H new ATOM 0 HE2 PHE A 66 -8.962 -4.774 -0.352 1.00 42.45 H new ATOM 0 HZ PHE A 66 -11.228 -3.876 -0.022 1.00 61.13 H new ATOM 1073 N GLN A 67 -8.497 -4.003 -8.082 1.00 11.21 N ATOM 1074 CA GLN A 67 -7.776 -4.277 -9.341 1.00 53.24 C ATOM 1075 C GLN A 67 -6.640 -3.259 -9.535 1.00 54.34 C ATOM 1076 O GLN A 67 -5.520 -3.621 -9.914 1.00 64.20 O ATOM 1077 CB GLN A 67 -8.745 -4.222 -10.551 1.00 51.23 C ATOM 1078 CG GLN A 67 -9.878 -5.271 -10.524 1.00 74.43 C ATOM 1079 CD GLN A 67 -9.371 -6.714 -10.565 1.00 74.10 C ATOM 1080 OE1 GLN A 67 -9.178 -7.277 -11.638 1.00 63.35 O ATOM 1081 NE2 GLN A 67 -9.173 -7.326 -9.403 1.00 1.31 N ATOM 0 H GLN A 67 -9.500 -3.865 -8.207 1.00 11.21 H new ATOM 0 HA GLN A 67 -7.351 -5.279 -9.280 1.00 53.24 H new ATOM 0 HB2 GLN A 67 -9.191 -3.228 -10.596 1.00 51.23 H new ATOM 0 HB3 GLN A 67 -8.168 -4.355 -11.466 1.00 51.23 H new ATOM 0 HG2 GLN A 67 -10.474 -5.128 -9.622 1.00 74.43 H new ATOM 0 HG3 GLN A 67 -10.540 -5.102 -11.373 1.00 74.43 H new ATOM 0 HE21 GLN A 67 -9.343 -6.828 -8.529 1.00 1.31 H new ATOM 0 HE22 GLN A 67 -8.851 -8.294 -9.385 1.00 1.31 H new ATOM 1090 N LEU A 68 -6.939 -1.986 -9.215 1.00 2.44 N ATOM 1091 CA LEU A 68 -5.978 -0.884 -9.351 1.00 74.55 C ATOM 1092 C LEU A 68 -5.019 -0.901 -8.156 1.00 12.53 C ATOM 1093 O LEU A 68 -3.850 -0.579 -8.285 1.00 41.20 O ATOM 1094 CB LEU A 68 -6.706 0.487 -9.459 1.00 24.22 C ATOM 1095 CG LEU A 68 -7.925 0.569 -10.441 1.00 34.41 C ATOM 1096 CD1 LEU A 68 -8.365 2.038 -10.643 1.00 24.44 C ATOM 1097 CD2 LEU A 68 -7.647 -0.139 -11.793 1.00 74.23 C ATOM 0 H LEU A 68 -7.849 -1.697 -8.857 1.00 2.44 H new ATOM 0 HA LEU A 68 -5.409 -1.021 -10.271 1.00 74.55 H new ATOM 0 HB2 LEU A 68 -7.053 0.766 -8.464 1.00 24.22 H new ATOM 0 HB3 LEU A 68 -5.975 1.236 -9.763 1.00 24.22 H new ATOM 0 HG LEU A 68 -8.751 0.027 -9.980 1.00 34.41 H new ATOM 0 HD11 LEU A 68 -9.212 2.073 -11.328 1.00 24.44 H new ATOM 0 HD12 LEU A 68 -8.656 2.466 -9.684 1.00 24.44 H new ATOM 0 HD13 LEU A 68 -7.537 2.612 -11.060 1.00 24.44 H new ATOM 0 HD21 LEU A 68 -8.523 -0.053 -12.436 1.00 74.23 H new ATOM 0 HD22 LEU A 68 -6.792 0.330 -12.280 1.00 74.23 H new ATOM 0 HD23 LEU A 68 -7.431 -1.192 -11.614 1.00 74.23 H new ATOM 1109 N ALA A 69 -5.539 -1.323 -6.993 1.00 13.11 N ATOM 1110 CA ALA A 69 -4.757 -1.446 -5.751 1.00 41.11 C ATOM 1111 C ALA A 69 -3.638 -2.495 -5.882 1.00 12.14 C ATOM 1112 O ALA A 69 -2.627 -2.414 -5.185 1.00 71.34 O ATOM 1113 CB ALA A 69 -5.680 -1.786 -4.578 1.00 4.32 C ATOM 0 H ALA A 69 -6.518 -1.590 -6.886 1.00 13.11 H new ATOM 0 HA ALA A 69 -4.280 -0.485 -5.561 1.00 41.11 H new ATOM 0 HB1 ALA A 69 -5.091 -1.874 -3.665 1.00 4.32 H new ATOM 0 HB2 ALA A 69 -6.421 -0.995 -4.457 1.00 4.32 H new ATOM 0 HB3 ALA A 69 -6.187 -2.731 -4.776 1.00 4.32 H new ATOM 1119 N LEU A 70 -3.852 -3.496 -6.759 1.00 33.04 N ATOM 1120 CA LEU A 70 -2.819 -4.490 -7.096 1.00 50.02 C ATOM 1121 C LEU A 70 -1.690 -3.855 -7.946 1.00 62.24 C ATOM 1122 O LEU A 70 -0.527 -3.798 -7.513 1.00 54.35 O ATOM 1123 CB LEU A 70 -3.449 -5.699 -7.843 1.00 55.12 C ATOM 1124 CG LEU A 70 -4.535 -6.515 -7.060 1.00 32.24 C ATOM 1125 CD1 LEU A 70 -5.129 -7.642 -7.936 1.00 35.21 C ATOM 1126 CD2 LEU A 70 -3.985 -7.073 -5.725 1.00 32.24 C ATOM 0 H LEU A 70 -4.736 -3.636 -7.248 1.00 33.04 H new ATOM 0 HA LEU A 70 -2.379 -4.847 -6.165 1.00 50.02 H new ATOM 0 HB2 LEU A 70 -3.897 -5.334 -8.767 1.00 55.12 H new ATOM 0 HB3 LEU A 70 -2.647 -6.381 -8.126 1.00 55.12 H new ATOM 0 HG LEU A 70 -5.341 -5.824 -6.813 1.00 32.24 H new ATOM 0 HD11 LEU A 70 -5.879 -8.190 -7.365 1.00 35.21 H new ATOM 0 HD12 LEU A 70 -5.593 -7.208 -8.822 1.00 35.21 H new ATOM 0 HD13 LEU A 70 -4.335 -8.324 -8.240 1.00 35.21 H new ATOM 0 HD21 LEU A 70 -4.769 -7.632 -5.214 1.00 32.24 H new ATOM 0 HD22 LEU A 70 -3.141 -7.733 -5.927 1.00 32.24 H new ATOM 0 HD23 LEU A 70 -3.657 -6.248 -5.093 1.00 32.24 H new ATOM 1138 N LYS A 71 -2.060 -3.354 -9.142 1.00 23.15 N ATOM 1139 CA LYS A 71 -1.086 -2.901 -10.169 1.00 44.42 C ATOM 1140 C LYS A 71 -0.334 -1.603 -9.773 1.00 34.24 C ATOM 1141 O LYS A 71 0.862 -1.464 -10.060 1.00 40.33 O ATOM 1142 CB LYS A 71 -1.769 -2.749 -11.557 1.00 65.25 C ATOM 1143 CG LYS A 71 -3.048 -1.882 -11.557 1.00 72.15 C ATOM 1144 CD LYS A 71 -3.557 -1.542 -12.978 1.00 41.24 C ATOM 1145 CE LYS A 71 -2.560 -0.667 -13.756 1.00 33.33 C ATOM 1146 NZ LYS A 71 -2.263 0.607 -13.049 1.00 63.03 N ATOM 0 H LYS A 71 -3.034 -3.250 -9.427 1.00 23.15 H new ATOM 0 HA LYS A 71 -0.329 -3.682 -10.235 1.00 44.42 H new ATOM 0 HB2 LYS A 71 -1.052 -2.314 -12.254 1.00 65.25 H new ATOM 0 HB3 LYS A 71 -2.019 -3.741 -11.934 1.00 65.25 H new ATOM 0 HG2 LYS A 71 -3.834 -2.406 -11.013 1.00 72.15 H new ATOM 0 HG3 LYS A 71 -2.850 -0.955 -11.018 1.00 72.15 H new ATOM 0 HD2 LYS A 71 -3.735 -2.465 -13.529 1.00 41.24 H new ATOM 0 HD3 LYS A 71 -4.513 -1.024 -12.906 1.00 41.24 H new ATOM 0 HE2 LYS A 71 -1.634 -1.221 -13.908 1.00 33.33 H new ATOM 0 HE3 LYS A 71 -2.965 -0.447 -14.744 1.00 33.33 H new ATOM 0 HZ1 LYS A 71 -2.407 1.406 -13.699 1.00 63.03 H new ATOM 0 HZ2 LYS A 71 -2.898 0.706 -12.231 1.00 63.03 H new ATOM 0 HZ3 LYS A 71 -1.276 0.601 -12.722 1.00 63.03 H new ATOM 1160 N ASP A 72 -1.036 -0.669 -9.117 1.00 11.15 N ATOM 1161 CA ASP A 72 -0.453 0.619 -8.660 1.00 23.14 C ATOM 1162 C ASP A 72 0.453 0.420 -7.424 1.00 71.32 C ATOM 1163 O ASP A 72 1.271 1.290 -7.099 1.00 33.41 O ATOM 1164 CB ASP A 72 -1.570 1.666 -8.387 1.00 35.35 C ATOM 1165 CG ASP A 72 -2.343 2.080 -9.661 1.00 64.34 C ATOM 1166 OD1 ASP A 72 -2.944 1.212 -10.316 1.00 3.11 O ATOM 1167 OD2 ASP A 72 -2.368 3.277 -10.007 1.00 65.11 O ATOM 0 H ASP A 72 -2.023 -0.776 -8.884 1.00 11.15 H new ATOM 0 HA ASP A 72 0.176 1.006 -9.461 1.00 23.14 H new ATOM 0 HB2 ASP A 72 -2.272 1.257 -7.661 1.00 35.35 H new ATOM 0 HB3 ASP A 72 -1.125 2.553 -7.936 1.00 35.35 H new ATOM 1172 N CYS A 73 0.259 -0.704 -6.710 1.00 13.41 N ATOM 1173 CA CYS A 73 1.152 -1.116 -5.610 1.00 50.23 C ATOM 1174 C CYS A 73 2.409 -1.818 -6.146 1.00 75.03 C ATOM 1175 O CYS A 73 3.517 -1.522 -5.705 1.00 61.21 O ATOM 1176 CB CYS A 73 0.408 -2.045 -4.632 1.00 52.23 C ATOM 1177 SG CYS A 73 1.391 -2.606 -3.228 1.00 73.40 S ATOM 0 H CYS A 73 -0.514 -1.348 -6.877 1.00 13.41 H new ATOM 0 HA CYS A 73 1.463 -0.216 -5.080 1.00 50.23 H new ATOM 0 HB2 CYS A 73 -0.473 -1.524 -4.256 1.00 52.23 H new ATOM 0 HB3 CYS A 73 0.052 -2.917 -5.180 1.00 52.23 H new ATOM 0 HG CYS A 73 0.642 -2.655 -2.166 1.00 73.40 H new ATOM 1183 N GLU A 74 2.237 -2.747 -7.104 1.00 65.15 N ATOM 1184 CA GLU A 74 3.356 -3.584 -7.602 1.00 24.55 C ATOM 1185 C GLU A 74 4.318 -2.808 -8.516 1.00 23.42 C ATOM 1186 O GLU A 74 5.457 -3.222 -8.674 1.00 62.23 O ATOM 1187 CB GLU A 74 2.835 -4.849 -8.314 1.00 35.31 C ATOM 1188 CG GLU A 74 2.052 -4.574 -9.597 1.00 71.04 C ATOM 1189 CD GLU A 74 1.447 -5.837 -10.205 1.00 61.15 C ATOM 1190 OE1 GLU A 74 0.438 -6.339 -9.661 1.00 55.32 O ATOM 1191 OE2 GLU A 74 1.978 -6.339 -11.214 1.00 11.23 O ATOM 0 H GLU A 74 1.340 -2.940 -7.550 1.00 65.15 H new ATOM 0 HA GLU A 74 3.925 -3.887 -6.723 1.00 24.55 H new ATOM 0 HB2 GLU A 74 3.682 -5.493 -8.551 1.00 35.31 H new ATOM 0 HB3 GLU A 74 2.197 -5.402 -7.625 1.00 35.31 H new ATOM 0 HG2 GLU A 74 1.255 -3.861 -9.385 1.00 71.04 H new ATOM 0 HG3 GLU A 74 2.713 -4.106 -10.327 1.00 71.04 H new ATOM 1198 N GLU A 75 3.863 -1.692 -9.126 1.00 14.22 N ATOM 1199 CA GLU A 75 4.761 -0.805 -9.919 1.00 3.23 C ATOM 1200 C GLU A 75 5.847 -0.188 -9.016 1.00 33.31 C ATOM 1201 O GLU A 75 6.980 0.052 -9.456 1.00 20.55 O ATOM 1202 CB GLU A 75 3.970 0.324 -10.629 1.00 44.22 C ATOM 1203 CG GLU A 75 3.179 1.241 -9.668 1.00 24.31 C ATOM 1204 CD GLU A 75 2.651 2.530 -10.308 1.00 33.43 C ATOM 1205 OE1 GLU A 75 1.920 2.457 -11.317 1.00 50.11 O ATOM 1206 OE2 GLU A 75 2.936 3.631 -9.783 1.00 15.25 O ATOM 0 H GLU A 75 2.892 -1.381 -9.089 1.00 14.22 H new ATOM 0 HA GLU A 75 5.233 -1.422 -10.683 1.00 3.23 H new ATOM 0 HB2 GLU A 75 4.666 0.934 -11.205 1.00 44.22 H new ATOM 0 HB3 GLU A 75 3.276 -0.125 -11.339 1.00 44.22 H new ATOM 0 HG2 GLU A 75 2.337 0.680 -9.263 1.00 24.31 H new ATOM 0 HG3 GLU A 75 3.821 1.504 -8.827 1.00 24.31 H new ATOM 1213 N CYS A 76 5.478 0.025 -7.739 1.00 44.34 N ATOM 1214 CA CYS A 76 6.342 0.635 -6.728 1.00 4.33 C ATOM 1215 C CYS A 76 7.629 -0.174 -6.504 1.00 15.11 C ATOM 1216 O CYS A 76 8.657 0.411 -6.178 1.00 73.43 O ATOM 1217 CB CYS A 76 5.559 0.801 -5.416 1.00 43.23 C ATOM 1218 SG CYS A 76 6.535 1.376 -4.025 1.00 53.42 S ATOM 0 H CYS A 76 4.557 -0.228 -7.382 1.00 44.34 H new ATOM 0 HA CYS A 76 6.650 1.616 -7.090 1.00 4.33 H new ATOM 0 HB2 CYS A 76 4.742 1.503 -5.583 1.00 43.23 H new ATOM 0 HB3 CYS A 76 5.108 -0.156 -5.155 1.00 43.23 H new ATOM 0 HG CYS A 76 6.712 0.399 -3.186 1.00 53.42 H new ATOM 1224 N ILE A 77 7.568 -1.510 -6.726 1.00 21.31 N ATOM 1225 CA ILE A 77 8.751 -2.416 -6.606 1.00 15.43 C ATOM 1226 C ILE A 77 9.903 -1.962 -7.543 1.00 25.22 C ATOM 1227 O ILE A 77 11.085 -2.136 -7.221 1.00 52.05 O ATOM 1228 CB ILE A 77 8.339 -3.935 -6.887 1.00 74.14 C ATOM 1229 CG1 ILE A 77 9.267 -4.983 -6.155 1.00 43.33 C ATOM 1230 CG2 ILE A 77 8.275 -4.252 -8.404 1.00 1.32 C ATOM 1231 CD1 ILE A 77 10.596 -5.313 -6.832 1.00 43.53 C ATOM 0 H ILE A 77 6.709 -1.992 -6.991 1.00 21.31 H new ATOM 0 HA ILE A 77 9.117 -2.354 -5.581 1.00 15.43 H new ATOM 0 HB ILE A 77 7.339 -4.037 -6.465 1.00 74.14 H new ATOM 0 HG12 ILE A 77 9.479 -4.609 -5.154 1.00 43.33 H new ATOM 0 HG13 ILE A 77 8.706 -5.910 -6.037 1.00 43.33 H new ATOM 0 HG21 ILE A 77 7.991 -5.295 -8.546 1.00 1.32 H new ATOM 0 HG22 ILE A 77 7.536 -3.607 -8.880 1.00 1.32 H new ATOM 0 HG23 ILE A 77 9.252 -4.077 -8.854 1.00 1.32 H new ATOM 0 HD11 ILE A 77 11.139 -6.043 -6.232 1.00 43.53 H new ATOM 0 HD12 ILE A 77 10.407 -5.727 -7.823 1.00 43.53 H new ATOM 0 HD13 ILE A 77 11.192 -4.405 -6.926 1.00 43.53 H new ATOM 1243 N GLN A 78 9.532 -1.337 -8.682 1.00 54.11 N ATOM 1244 CA GLN A 78 10.478 -0.946 -9.738 1.00 45.24 C ATOM 1245 C GLN A 78 11.316 0.275 -9.322 1.00 3.41 C ATOM 1246 O GLN A 78 12.509 0.342 -9.626 1.00 25.33 O ATOM 1247 CB GLN A 78 9.706 -0.668 -11.058 1.00 13.21 C ATOM 1248 CG GLN A 78 8.906 -1.885 -11.578 1.00 53.32 C ATOM 1249 CD GLN A 78 9.791 -3.074 -11.981 1.00 45.45 C ATOM 1250 OE1 GLN A 78 10.909 -2.905 -12.465 1.00 4.44 O ATOM 1251 NE2 GLN A 78 9.308 -4.281 -11.760 1.00 51.33 N ATOM 0 H GLN A 78 8.564 -1.091 -8.891 1.00 54.11 H new ATOM 0 HA GLN A 78 11.172 -1.770 -9.900 1.00 45.24 H new ATOM 0 HB2 GLN A 78 9.021 0.165 -10.899 1.00 13.21 H new ATOM 0 HB3 GLN A 78 10.415 -0.356 -11.825 1.00 13.21 H new ATOM 0 HG2 GLN A 78 8.208 -2.208 -10.806 1.00 53.32 H new ATOM 0 HG3 GLN A 78 8.311 -1.578 -12.438 1.00 53.32 H new ATOM 0 HE21 GLN A 78 8.377 -4.392 -11.357 1.00 51.33 H new ATOM 0 HE22 GLN A 78 9.865 -5.103 -11.992 1.00 51.33 H new ATOM 1260 N LEU A 79 10.688 1.229 -8.623 1.00 31.42 N ATOM 1261 CA LEU A 79 11.366 2.455 -8.149 1.00 74.15 C ATOM 1262 C LEU A 79 12.055 2.197 -6.789 1.00 54.52 C ATOM 1263 O LEU A 79 13.222 2.551 -6.588 1.00 41.44 O ATOM 1264 CB LEU A 79 10.343 3.620 -8.031 1.00 60.11 C ATOM 1265 CG LEU A 79 9.518 3.952 -9.321 1.00 43.52 C ATOM 1266 CD1 LEU A 79 8.474 5.059 -9.046 1.00 62.21 C ATOM 1267 CD2 LEU A 79 10.441 4.335 -10.502 1.00 53.10 C ATOM 0 H LEU A 79 9.702 1.179 -8.368 1.00 31.42 H new ATOM 0 HA LEU A 79 12.131 2.736 -8.873 1.00 74.15 H new ATOM 0 HB2 LEU A 79 9.644 3.382 -7.230 1.00 60.11 H new ATOM 0 HB3 LEU A 79 10.881 4.518 -7.728 1.00 60.11 H new ATOM 0 HG LEU A 79 8.979 3.048 -9.607 1.00 43.52 H new ATOM 0 HD11 LEU A 79 7.917 5.268 -9.959 1.00 62.21 H new ATOM 0 HD12 LEU A 79 7.786 4.725 -8.269 1.00 62.21 H new ATOM 0 HD13 LEU A 79 8.983 5.965 -8.716 1.00 62.21 H new ATOM 0 HD21 LEU A 79 9.835 4.559 -11.380 1.00 53.10 H new ATOM 0 HD22 LEU A 79 11.030 5.212 -10.234 1.00 53.10 H new ATOM 0 HD23 LEU A 79 11.110 3.504 -10.725 1.00 53.10 H new ATOM 1279 N GLU A 80 11.312 1.560 -5.878 1.00 12.53 N ATOM 1280 CA GLU A 80 11.733 1.304 -4.490 1.00 14.05 C ATOM 1281 C GLU A 80 11.032 0.025 -3.974 1.00 70.14 C ATOM 1282 O GLU A 80 9.839 0.067 -3.660 1.00 3.21 O ATOM 1283 CB GLU A 80 11.386 2.527 -3.605 1.00 52.23 C ATOM 1284 CG GLU A 80 11.564 2.331 -2.086 1.00 54.11 C ATOM 1285 CD GLU A 80 11.067 3.530 -1.263 1.00 72.15 C ATOM 1286 OE1 GLU A 80 10.037 4.152 -1.641 1.00 25.01 O ATOM 1287 OE2 GLU A 80 11.702 3.865 -0.237 1.00 42.20 O ATOM 0 H GLU A 80 10.381 1.199 -6.086 1.00 12.53 H new ATOM 0 HA GLU A 80 12.811 1.151 -4.448 1.00 14.05 H new ATOM 0 HB2 GLU A 80 12.007 3.366 -3.919 1.00 52.23 H new ATOM 0 HB3 GLU A 80 10.350 2.808 -3.797 1.00 52.23 H new ATOM 0 HG2 GLU A 80 11.025 1.436 -1.775 1.00 54.11 H new ATOM 0 HG3 GLU A 80 12.618 2.160 -1.868 1.00 54.11 H new ATOM 1294 N PRO A 81 11.756 -1.140 -3.889 1.00 31.34 N ATOM 1295 CA PRO A 81 11.159 -2.436 -3.473 1.00 55.24 C ATOM 1296 C PRO A 81 11.004 -2.586 -1.944 1.00 21.35 C ATOM 1297 O PRO A 81 10.520 -3.614 -1.466 1.00 72.13 O ATOM 1298 CB PRO A 81 12.176 -3.453 -4.036 1.00 72.00 C ATOM 1299 CG PRO A 81 13.499 -2.754 -3.955 1.00 73.52 C ATOM 1300 CD PRO A 81 13.212 -1.280 -4.184 1.00 72.53 C ATOM 0 HA PRO A 81 10.140 -2.560 -3.840 1.00 55.24 H new ATOM 0 HB2 PRO A 81 12.179 -4.374 -3.453 1.00 72.00 H new ATOM 0 HB3 PRO A 81 11.935 -3.726 -5.063 1.00 72.00 H new ATOM 0 HG2 PRO A 81 13.965 -2.914 -2.983 1.00 73.52 H new ATOM 0 HG3 PRO A 81 14.189 -3.138 -4.706 1.00 73.52 H new ATOM 0 HD2 PRO A 81 13.813 -0.651 -3.528 1.00 72.53 H new ATOM 0 HD3 PRO A 81 13.441 -0.984 -5.208 1.00 72.53 H new ATOM 1308 N THR A 82 11.418 -1.555 -1.188 1.00 20.22 N ATOM 1309 CA THR A 82 11.395 -1.577 0.284 1.00 53.13 C ATOM 1310 C THR A 82 10.124 -0.915 0.844 1.00 33.22 C ATOM 1311 O THR A 82 10.068 -0.583 2.036 1.00 52.14 O ATOM 1312 CB THR A 82 12.672 -0.871 0.841 1.00 1.00 C ATOM 1313 OG1 THR A 82 12.703 0.498 0.404 1.00 24.42 O ATOM 1314 CG2 THR A 82 13.953 -1.583 0.370 1.00 73.05 C ATOM 0 H THR A 82 11.777 -0.684 -1.580 1.00 20.22 H new ATOM 0 HA THR A 82 11.387 -2.618 0.608 1.00 53.13 H new ATOM 0 HB THR A 82 12.631 -0.914 1.929 1.00 1.00 H new ATOM 0 HG1 THR A 82 13.505 0.936 0.758 1.00 24.42 H new ATOM 0 HG21 THR A 82 14.825 -1.068 0.774 1.00 73.05 H new ATOM 0 HG22 THR A 82 13.946 -2.615 0.721 1.00 73.05 H new ATOM 0 HG23 THR A 82 13.997 -1.571 -0.719 1.00 73.05 H new ATOM 1322 N PHE A 83 9.110 -0.724 -0.020 1.00 4.21 N ATOM 1323 CA PHE A 83 7.816 -0.170 0.387 1.00 1.11 C ATOM 1324 C PHE A 83 7.037 -1.227 1.223 1.00 42.23 C ATOM 1325 O PHE A 83 6.369 -2.121 0.713 1.00 4.12 O ATOM 1326 CB PHE A 83 7.028 0.329 -0.858 1.00 42.52 C ATOM 1327 CG PHE A 83 6.517 -0.772 -1.797 1.00 74.04 C ATOM 1328 CD1 PHE A 83 7.369 -1.466 -2.649 1.00 52.42 C ATOM 1329 CD2 PHE A 83 5.169 -1.098 -1.815 1.00 61.22 C ATOM 1330 CE1 PHE A 83 6.884 -2.444 -3.493 1.00 40.02 C ATOM 1331 CE2 PHE A 83 4.681 -2.078 -2.653 1.00 10.02 C ATOM 1332 CZ PHE A 83 5.540 -2.748 -3.495 1.00 25.31 C ATOM 0 H PHE A 83 9.169 -0.949 -1.013 1.00 4.21 H new ATOM 0 HA PHE A 83 7.962 0.700 1.027 1.00 1.11 H new ATOM 0 HB2 PHE A 83 6.176 0.916 -0.516 1.00 42.52 H new ATOM 0 HB3 PHE A 83 7.670 1.001 -1.428 1.00 42.52 H new ATOM 0 HD1 PHE A 83 8.424 -1.237 -2.650 1.00 52.42 H new ATOM 0 HD2 PHE A 83 4.489 -0.574 -1.160 1.00 61.22 H new ATOM 0 HE1 PHE A 83 7.558 -2.971 -4.152 1.00 40.02 H new ATOM 0 HE2 PHE A 83 3.628 -2.319 -2.649 1.00 10.02 H new ATOM 0 HZ PHE A 83 5.160 -3.512 -4.157 1.00 25.31 H new ATOM 1342 N ILE A 84 7.180 -1.127 2.528 1.00 11.25 N ATOM 1343 CA ILE A 84 6.670 -2.130 3.477 1.00 42.21 C ATOM 1344 C ILE A 84 5.137 -2.057 3.583 1.00 3.20 C ATOM 1345 O ILE A 84 4.436 -3.081 3.536 1.00 11.41 O ATOM 1346 CB ILE A 84 7.341 -1.919 4.884 1.00 65.14 C ATOM 1347 CG1 ILE A 84 8.884 -2.175 4.792 1.00 32.44 C ATOM 1348 CG2 ILE A 84 6.683 -2.803 5.960 1.00 20.32 C ATOM 1349 CD1 ILE A 84 9.643 -2.049 6.103 1.00 2.43 C ATOM 0 H ILE A 84 7.656 -0.345 2.977 1.00 11.25 H new ATOM 0 HA ILE A 84 6.927 -3.124 3.110 1.00 42.21 H new ATOM 0 HB ILE A 84 7.185 -0.883 5.186 1.00 65.14 H new ATOM 0 HG12 ILE A 84 9.046 -3.176 4.392 1.00 32.44 H new ATOM 0 HG13 ILE A 84 9.310 -1.473 4.076 1.00 32.44 H new ATOM 0 HG21 ILE A 84 7.171 -2.632 6.920 1.00 20.32 H new ATOM 0 HG22 ILE A 84 5.625 -2.552 6.041 1.00 20.32 H new ATOM 0 HG23 ILE A 84 6.786 -3.852 5.682 1.00 20.32 H new ATOM 0 HD11 ILE A 84 10.701 -2.245 5.931 1.00 2.43 H new ATOM 0 HD12 ILE A 84 9.520 -1.041 6.499 1.00 2.43 H new ATOM 0 HD13 ILE A 84 9.252 -2.771 6.820 1.00 2.43 H new ATOM 1361 N LYS A 85 4.644 -0.820 3.689 1.00 32.42 N ATOM 1362 CA LYS A 85 3.224 -0.523 3.929 1.00 55.13 C ATOM 1363 C LYS A 85 2.348 -0.901 2.724 1.00 1.32 C ATOM 1364 O LYS A 85 1.173 -1.269 2.891 1.00 51.14 O ATOM 1365 CB LYS A 85 3.084 0.978 4.293 1.00 32.33 C ATOM 1366 CG LYS A 85 3.910 1.455 5.527 1.00 53.13 C ATOM 1367 CD LYS A 85 3.426 0.888 6.904 1.00 11.11 C ATOM 1368 CE LYS A 85 3.931 -0.532 7.222 1.00 44.45 C ATOM 1369 NZ LYS A 85 3.473 -1.003 8.549 1.00 51.21 N ATOM 0 H LYS A 85 5.224 0.015 3.610 1.00 32.42 H new ATOM 0 HA LYS A 85 2.867 -1.130 4.761 1.00 55.13 H new ATOM 0 HB2 LYS A 85 3.381 1.572 3.429 1.00 32.33 H new ATOM 0 HB3 LYS A 85 2.031 1.191 4.479 1.00 32.33 H new ATOM 0 HG2 LYS A 85 4.952 1.171 5.380 1.00 53.13 H new ATOM 0 HG3 LYS A 85 3.879 2.544 5.568 1.00 53.13 H new ATOM 0 HD2 LYS A 85 3.753 1.562 7.696 1.00 11.11 H new ATOM 0 HD3 LYS A 85 2.336 0.884 6.918 1.00 11.11 H new ATOM 0 HE2 LYS A 85 3.582 -1.221 6.453 1.00 44.45 H new ATOM 0 HE3 LYS A 85 5.020 -0.544 7.190 1.00 44.45 H new ATOM 0 HZ1 LYS A 85 3.436 -2.042 8.555 1.00 51.21 H new ATOM 0 HZ2 LYS A 85 4.136 -0.677 9.281 1.00 51.21 H new ATOM 0 HZ3 LYS A 85 2.526 -0.621 8.745 1.00 51.21 H new ATOM 1383 N GLY A 86 2.945 -0.828 1.521 1.00 35.45 N ATOM 1384 CA GLY A 86 2.272 -1.246 0.296 1.00 64.14 C ATOM 1385 C GLY A 86 2.065 -2.746 0.237 1.00 24.02 C ATOM 1386 O GLY A 86 0.999 -3.196 -0.166 1.00 11.12 O ATOM 0 H GLY A 86 3.894 -0.482 1.380 1.00 35.45 H new ATOM 0 HA2 GLY A 86 1.306 -0.745 0.225 1.00 64.14 H new ATOM 0 HA3 GLY A 86 2.860 -0.928 -0.565 1.00 64.14 H new ATOM 1390 N TYR A 87 3.088 -3.521 0.670 1.00 4.43 N ATOM 1391 CA TYR A 87 3.000 -4.999 0.752 1.00 41.23 C ATOM 1392 C TYR A 87 1.907 -5.461 1.731 1.00 44.41 C ATOM 1393 O TYR A 87 1.262 -6.494 1.506 1.00 50.01 O ATOM 1394 CB TYR A 87 4.364 -5.621 1.159 1.00 11.45 C ATOM 1395 CG TYR A 87 5.418 -5.611 0.042 1.00 64.52 C ATOM 1396 CD1 TYR A 87 5.130 -6.150 -1.216 1.00 1.11 C ATOM 1397 CD2 TYR A 87 6.691 -5.085 0.240 1.00 1.44 C ATOM 1398 CE1 TYR A 87 6.072 -6.159 -2.220 1.00 23.55 C ATOM 1399 CE2 TYR A 87 7.635 -5.094 -0.768 1.00 4.52 C ATOM 1400 CZ TYR A 87 7.322 -5.633 -1.993 1.00 5.33 C ATOM 1401 OH TYR A 87 8.259 -5.639 -3.001 1.00 54.44 O ATOM 0 H TYR A 87 3.988 -3.145 0.969 1.00 4.43 H new ATOM 0 HA TYR A 87 2.732 -5.349 -0.245 1.00 41.23 H new ATOM 0 HB2 TYR A 87 4.756 -5.078 2.019 1.00 11.45 H new ATOM 0 HB3 TYR A 87 4.200 -6.650 1.480 1.00 11.45 H new ATOM 0 HD1 TYR A 87 4.151 -6.567 -1.403 1.00 1.11 H new ATOM 0 HD2 TYR A 87 6.946 -4.662 1.200 1.00 1.44 H new ATOM 0 HE1 TYR A 87 5.829 -6.579 -3.185 1.00 23.55 H new ATOM 0 HE2 TYR A 87 8.617 -4.679 -0.594 1.00 4.52 H new ATOM 0 HH TYR A 87 9.089 -5.230 -2.678 1.00 54.44 H new ATOM 1411 N THR A 88 1.707 -4.686 2.806 1.00 52.21 N ATOM 1412 CA THR A 88 0.714 -5.005 3.842 1.00 1.43 C ATOM 1413 C THR A 88 -0.730 -4.848 3.288 1.00 4.13 C ATOM 1414 O THR A 88 -1.635 -5.607 3.654 1.00 71.31 O ATOM 1415 CB THR A 88 0.934 -4.100 5.104 1.00 4.50 C ATOM 1416 OG1 THR A 88 2.338 -4.048 5.428 1.00 60.14 O ATOM 1417 CG2 THR A 88 0.161 -4.627 6.328 1.00 44.14 C ATOM 0 H THR A 88 2.225 -3.825 2.982 1.00 52.21 H new ATOM 0 HA THR A 88 0.845 -6.045 4.140 1.00 1.43 H new ATOM 0 HB THR A 88 0.560 -3.105 4.862 1.00 4.50 H new ATOM 0 HG1 THR A 88 2.471 -3.480 6.216 1.00 60.14 H new ATOM 0 HG21 THR A 88 0.340 -3.972 7.181 1.00 44.14 H new ATOM 0 HG22 THR A 88 -0.905 -4.647 6.104 1.00 44.14 H new ATOM 0 HG23 THR A 88 0.501 -5.635 6.567 1.00 44.14 H new ATOM 1425 N ARG A 89 -0.911 -3.863 2.382 1.00 33.01 N ATOM 1426 CA ARG A 89 -2.200 -3.613 1.686 1.00 64.45 C ATOM 1427 C ARG A 89 -2.366 -4.539 0.465 1.00 13.11 C ATOM 1428 O ARG A 89 -3.494 -4.877 0.097 1.00 34.44 O ATOM 1429 CB ARG A 89 -2.304 -2.112 1.251 1.00 55.34 C ATOM 1430 CG ARG A 89 -2.958 -1.146 2.277 1.00 15.54 C ATOM 1431 CD ARG A 89 -2.295 -1.142 3.673 1.00 15.12 C ATOM 1432 NE ARG A 89 -2.821 -2.198 4.555 1.00 1.42 N ATOM 1433 CZ ARG A 89 -2.478 -2.384 5.841 1.00 65.10 C ATOM 1434 NH1 ARG A 89 -1.591 -1.594 6.445 1.00 64.43 N ATOM 1435 NH2 ARG A 89 -3.019 -3.382 6.515 1.00 75.12 N ATOM 0 H ARG A 89 -0.170 -3.217 2.110 1.00 33.01 H new ATOM 0 HA ARG A 89 -3.006 -3.833 2.386 1.00 64.45 H new ATOM 0 HB2 ARG A 89 -1.300 -1.749 1.030 1.00 55.34 H new ATOM 0 HB3 ARG A 89 -2.873 -2.063 0.323 1.00 55.34 H new ATOM 0 HG2 ARG A 89 -2.929 -0.134 1.873 1.00 15.54 H new ATOM 0 HG3 ARG A 89 -4.009 -1.414 2.389 1.00 15.54 H new ATOM 0 HD2 ARG A 89 -1.219 -1.271 3.560 1.00 15.12 H new ATOM 0 HD3 ARG A 89 -2.452 -0.171 4.142 1.00 15.12 H new ATOM 0 HE ARG A 89 -3.503 -2.843 4.156 1.00 1.42 H new ATOM 0 HH11 ARG A 89 -1.156 -0.828 5.930 1.00 64.43 H new ATOM 0 HH12 ARG A 89 -1.347 -1.755 7.422 1.00 64.43 H new ATOM 0 HH21 ARG A 89 -3.689 -4.001 6.059 1.00 75.12 H new ATOM 0 HH22 ARG A 89 -2.767 -3.534 7.492 1.00 75.12 H new ATOM 1449 N LYS A 90 -1.236 -4.920 -0.156 1.00 34.03 N ATOM 1450 CA LYS A 90 -1.207 -5.768 -1.359 1.00 45.10 C ATOM 1451 C LYS A 90 -1.696 -7.179 -1.025 1.00 55.21 C ATOM 1452 O LYS A 90 -2.586 -7.715 -1.687 1.00 3.31 O ATOM 1453 CB LYS A 90 0.236 -5.826 -1.931 1.00 61.00 C ATOM 1454 CG LYS A 90 0.393 -6.659 -3.219 1.00 42.12 C ATOM 1455 CD LYS A 90 -0.414 -6.086 -4.409 1.00 50.33 C ATOM 1456 CE LYS A 90 -0.153 -6.848 -5.720 1.00 54.24 C ATOM 1457 NZ LYS A 90 1.272 -6.782 -6.125 1.00 71.22 N ATOM 0 H LYS A 90 -0.308 -4.645 0.167 1.00 34.03 H new ATOM 0 HA LYS A 90 -1.870 -5.337 -2.109 1.00 45.10 H new ATOM 0 HB2 LYS A 90 0.573 -4.809 -2.131 1.00 61.00 H new ATOM 0 HB3 LYS A 90 0.897 -6.237 -1.168 1.00 61.00 H new ATOM 0 HG2 LYS A 90 1.448 -6.704 -3.490 1.00 42.12 H new ATOM 0 HG3 LYS A 90 0.069 -7.682 -3.026 1.00 42.12 H new ATOM 0 HD2 LYS A 90 -1.478 -6.126 -4.175 1.00 50.33 H new ATOM 0 HD3 LYS A 90 -0.157 -5.036 -4.546 1.00 50.33 H new ATOM 0 HE2 LYS A 90 -0.448 -7.890 -5.599 1.00 54.24 H new ATOM 0 HE3 LYS A 90 -0.775 -6.431 -6.512 1.00 54.24 H new ATOM 0 HZ1 LYS A 90 1.353 -6.979 -7.143 1.00 71.22 H new ATOM 0 HZ2 LYS A 90 1.646 -5.832 -5.925 1.00 71.22 H new ATOM 0 HZ3 LYS A 90 1.818 -7.488 -5.591 1.00 71.22 H new ATOM 1471 N ALA A 91 -1.097 -7.754 0.026 1.00 43.54 N ATOM 1472 CA ALA A 91 -1.433 -9.091 0.517 1.00 73.32 C ATOM 1473 C ALA A 91 -2.850 -9.116 1.113 1.00 42.24 C ATOM 1474 O ALA A 91 -3.551 -10.123 1.011 1.00 22.45 O ATOM 1475 CB ALA A 91 -0.393 -9.528 1.540 1.00 65.43 C ATOM 0 H ALA A 91 -0.359 -7.298 0.562 1.00 43.54 H new ATOM 0 HA ALA A 91 -1.422 -9.794 -0.316 1.00 73.32 H new ATOM 0 HB1 ALA A 91 -0.640 -10.524 1.908 1.00 65.43 H new ATOM 0 HB2 ALA A 91 0.591 -9.548 1.072 1.00 65.43 H new ATOM 0 HB3 ALA A 91 -0.384 -8.825 2.373 1.00 65.43 H new ATOM 1481 N ALA A 92 -3.255 -7.984 1.725 1.00 65.51 N ATOM 1482 CA ALA A 92 -4.629 -7.785 2.225 1.00 53.32 C ATOM 1483 C ALA A 92 -5.640 -7.863 1.071 1.00 32.42 C ATOM 1484 O ALA A 92 -6.711 -8.459 1.209 1.00 65.11 O ATOM 1485 CB ALA A 92 -4.744 -6.439 2.947 1.00 4.54 C ATOM 0 H ALA A 92 -2.641 -7.186 1.886 1.00 65.51 H new ATOM 0 HA ALA A 92 -4.856 -8.580 2.935 1.00 53.32 H new ATOM 0 HB1 ALA A 92 -5.763 -6.307 3.310 1.00 4.54 H new ATOM 0 HB2 ALA A 92 -4.053 -6.418 3.790 1.00 4.54 H new ATOM 0 HB3 ALA A 92 -4.498 -5.633 2.256 1.00 4.54 H new ATOM 1491 N ALA A 93 -5.270 -7.265 -0.074 1.00 53.31 N ATOM 1492 CA ALA A 93 -6.084 -7.312 -1.294 1.00 24.11 C ATOM 1493 C ALA A 93 -6.156 -8.754 -1.833 1.00 53.44 C ATOM 1494 O ALA A 93 -7.244 -9.249 -2.123 1.00 30.10 O ATOM 1495 CB ALA A 93 -5.531 -6.343 -2.348 1.00 73.43 C ATOM 0 H ALA A 93 -4.402 -6.739 -0.177 1.00 53.31 H new ATOM 0 HA ALA A 93 -7.099 -6.994 -1.054 1.00 24.11 H new ATOM 0 HB1 ALA A 93 -6.147 -6.392 -3.246 1.00 73.43 H new ATOM 0 HB2 ALA A 93 -5.546 -5.328 -1.952 1.00 73.43 H new ATOM 0 HB3 ALA A 93 -4.507 -6.621 -2.596 1.00 73.43 H new ATOM 1501 N LEU A 94 -4.986 -9.433 -1.898 1.00 43.04 N ATOM 1502 CA LEU A 94 -4.876 -10.844 -2.354 1.00 12.25 C ATOM 1503 C LEU A 94 -5.753 -11.789 -1.499 1.00 31.11 C ATOM 1504 O LEU A 94 -6.365 -12.722 -2.027 1.00 52.54 O ATOM 1505 CB LEU A 94 -3.394 -11.309 -2.326 1.00 1.45 C ATOM 1506 CG LEU A 94 -2.422 -10.557 -3.294 1.00 43.45 C ATOM 1507 CD1 LEU A 94 -0.952 -10.972 -3.055 1.00 53.43 C ATOM 1508 CD2 LEU A 94 -2.833 -10.762 -4.772 1.00 54.12 C ATOM 0 H LEU A 94 -4.091 -9.020 -1.636 1.00 43.04 H new ATOM 0 HA LEU A 94 -5.242 -10.889 -3.380 1.00 12.25 H new ATOM 0 HB2 LEU A 94 -3.019 -11.200 -1.309 1.00 1.45 H new ATOM 0 HB3 LEU A 94 -3.363 -12.372 -2.565 1.00 1.45 H new ATOM 0 HG LEU A 94 -2.499 -9.492 -3.075 1.00 43.45 H new ATOM 0 HD11 LEU A 94 -0.304 -10.430 -3.744 1.00 53.43 H new ATOM 0 HD12 LEU A 94 -0.669 -10.735 -2.029 1.00 53.43 H new ATOM 0 HD13 LEU A 94 -0.845 -12.044 -3.222 1.00 53.43 H new ATOM 0 HD21 LEU A 94 -2.139 -10.227 -5.420 1.00 54.12 H new ATOM 0 HD22 LEU A 94 -2.809 -11.825 -5.012 1.00 54.12 H new ATOM 0 HD23 LEU A 94 -3.842 -10.378 -4.926 1.00 54.12 H new ATOM 1520 N GLU A 95 -5.831 -11.505 -0.184 1.00 2.11 N ATOM 1521 CA GLU A 95 -6.693 -12.241 0.768 1.00 41.10 C ATOM 1522 C GLU A 95 -8.176 -12.076 0.367 1.00 35.42 C ATOM 1523 O GLU A 95 -8.969 -13.020 0.454 1.00 43.22 O ATOM 1524 CB GLU A 95 -6.408 -11.726 2.216 1.00 14.12 C ATOM 1525 CG GLU A 95 -7.009 -12.555 3.384 1.00 74.24 C ATOM 1526 CD GLU A 95 -8.511 -12.335 3.642 1.00 2.20 C ATOM 1527 OE1 GLU A 95 -8.918 -11.183 3.849 1.00 42.33 O ATOM 1528 OE2 GLU A 95 -9.284 -13.309 3.691 1.00 3.45 O ATOM 0 H GLU A 95 -5.295 -10.754 0.252 1.00 2.11 H new ATOM 0 HA GLU A 95 -6.470 -13.308 0.741 1.00 41.10 H new ATOM 0 HB2 GLU A 95 -5.328 -11.679 2.353 1.00 14.12 H new ATOM 0 HB3 GLU A 95 -6.784 -10.706 2.294 1.00 14.12 H new ATOM 0 HG2 GLU A 95 -6.843 -13.613 3.180 1.00 74.24 H new ATOM 0 HG3 GLU A 95 -6.462 -12.317 4.296 1.00 74.24 H new ATOM 1535 N ALA A 96 -8.519 -10.881 -0.151 1.00 41.10 N ATOM 1536 CA ALA A 96 -9.884 -10.568 -0.609 1.00 75.30 C ATOM 1537 C ALA A 96 -10.139 -11.140 -2.027 1.00 21.05 C ATOM 1538 O ALA A 96 -11.247 -11.029 -2.552 1.00 63.23 O ATOM 1539 CB ALA A 96 -10.107 -9.044 -0.580 1.00 52.25 C ATOM 0 H ALA A 96 -7.861 -10.110 -0.263 1.00 41.10 H new ATOM 0 HA ALA A 96 -10.597 -11.039 0.067 1.00 75.30 H new ATOM 0 HB1 ALA A 96 -11.118 -8.818 -0.920 1.00 52.25 H new ATOM 0 HB2 ALA A 96 -9.975 -8.676 0.438 1.00 52.25 H new ATOM 0 HB3 ALA A 96 -9.386 -8.558 -1.238 1.00 52.25 H new ATOM 1545 N MET A 97 -9.096 -11.751 -2.641 1.00 1.10 N ATOM 1546 CA MET A 97 -9.186 -12.389 -3.972 1.00 40.32 C ATOM 1547 C MET A 97 -9.204 -13.919 -3.845 1.00 41.03 C ATOM 1548 O MET A 97 -9.172 -14.608 -4.866 1.00 35.33 O ATOM 1549 CB MET A 97 -7.975 -11.978 -4.854 1.00 10.10 C ATOM 1550 CG MET A 97 -7.805 -10.479 -5.052 1.00 73.20 C ATOM 1551 SD MET A 97 -9.263 -9.700 -5.761 1.00 65.11 S ATOM 1552 CE MET A 97 -8.663 -8.030 -5.958 1.00 51.34 C ATOM 0 H MET A 97 -8.167 -11.814 -2.223 1.00 1.10 H new ATOM 0 HA MET A 97 -10.113 -12.053 -4.436 1.00 40.32 H new ATOM 0 HB2 MET A 97 -7.065 -12.376 -4.404 1.00 10.10 H new ATOM 0 HB3 MET A 97 -8.080 -12.449 -5.831 1.00 10.10 H new ATOM 0 HG2 MET A 97 -7.580 -10.014 -4.092 1.00 73.20 H new ATOM 0 HG3 MET A 97 -6.949 -10.298 -5.702 1.00 73.20 H new ATOM 0 HE1 MET A 97 -9.508 -7.343 -6.007 1.00 51.34 H new ATOM 0 HE2 MET A 97 -8.031 -7.768 -5.109 1.00 51.34 H new ATOM 0 HE3 MET A 97 -8.083 -7.958 -6.878 1.00 51.34 H new ATOM 1562 N LYS A 98 -9.244 -14.425 -2.578 1.00 44.43 N ATOM 1563 CA LYS A 98 -9.114 -15.866 -2.231 1.00 65.54 C ATOM 1564 C LYS A 98 -7.676 -16.391 -2.449 1.00 13.22 C ATOM 1565 O LYS A 98 -7.423 -17.594 -2.298 1.00 0.24 O ATOM 1566 CB LYS A 98 -10.135 -16.761 -3.007 1.00 40.20 C ATOM 1567 CG LYS A 98 -11.629 -16.436 -2.762 1.00 25.12 C ATOM 1568 CD LYS A 98 -12.089 -16.701 -1.310 1.00 33.10 C ATOM 1569 CE LYS A 98 -11.875 -18.166 -0.863 1.00 54.20 C ATOM 1570 NZ LYS A 98 -12.568 -19.150 -1.730 1.00 24.21 N ATOM 0 H LYS A 98 -9.370 -13.831 -1.759 1.00 44.43 H new ATOM 0 HA LYS A 98 -9.346 -15.935 -1.168 1.00 65.54 H new ATOM 0 HB2 LYS A 98 -9.932 -16.671 -4.074 1.00 40.20 H new ATOM 0 HB3 LYS A 98 -9.959 -17.802 -2.735 1.00 40.20 H new ATOM 0 HG2 LYS A 98 -11.809 -15.389 -3.006 1.00 25.12 H new ATOM 0 HG3 LYS A 98 -12.238 -17.032 -3.442 1.00 25.12 H new ATOM 0 HD2 LYS A 98 -11.545 -16.039 -0.636 1.00 33.10 H new ATOM 0 HD3 LYS A 98 -13.146 -16.450 -1.219 1.00 33.10 H new ATOM 0 HE2 LYS A 98 -10.807 -18.385 -0.858 1.00 54.20 H new ATOM 0 HE3 LYS A 98 -12.229 -18.282 0.161 1.00 54.20 H new ATOM 0 HZ1 LYS A 98 -12.386 -20.112 -1.378 1.00 24.21 H new ATOM 0 HZ2 LYS A 98 -13.591 -18.965 -1.717 1.00 24.21 H new ATOM 0 HZ3 LYS A 98 -12.214 -19.065 -2.704 1.00 24.21 H new ATOM 1584 N ASP A 99 -6.727 -15.480 -2.741 1.00 25.12 N ATOM 1585 CA ASP A 99 -5.324 -15.830 -3.048 1.00 44.23 C ATOM 1586 C ASP A 99 -4.473 -15.856 -1.776 1.00 73.41 C ATOM 1587 O ASP A 99 -3.366 -15.321 -1.768 1.00 70.42 O ATOM 1588 CB ASP A 99 -4.728 -14.824 -4.082 1.00 74.23 C ATOM 1589 CG ASP A 99 -5.192 -15.088 -5.511 1.00 32.31 C ATOM 1590 OD1 ASP A 99 -4.834 -16.153 -6.057 1.00 22.21 O ATOM 1591 OD2 ASP A 99 -5.896 -14.246 -6.101 1.00 0.23 O ATOM 0 H ASP A 99 -6.911 -14.477 -2.771 1.00 25.12 H new ATOM 0 HA ASP A 99 -5.311 -16.829 -3.483 1.00 44.23 H new ATOM 0 HB2 ASP A 99 -5.009 -13.810 -3.797 1.00 74.23 H new ATOM 0 HB3 ASP A 99 -3.640 -14.876 -4.044 1.00 74.23 H new ATOM 1596 N TYR A 100 -4.975 -16.534 -0.730 1.00 34.32 N ATOM 1597 CA TYR A 100 -4.305 -16.641 0.591 1.00 34.41 C ATOM 1598 C TYR A 100 -2.867 -17.151 0.474 1.00 3.15 C ATOM 1599 O TYR A 100 -1.993 -16.728 1.228 1.00 2.21 O ATOM 1600 CB TYR A 100 -5.101 -17.582 1.519 1.00 42.55 C ATOM 1601 CG TYR A 100 -6.596 -17.282 1.546 1.00 74.31 C ATOM 1602 CD1 TYR A 100 -7.054 -15.998 1.805 1.00 54.41 C ATOM 1603 CD2 TYR A 100 -7.543 -18.271 1.292 1.00 63.03 C ATOM 1604 CE1 TYR A 100 -8.392 -15.717 1.816 1.00 24.32 C ATOM 1605 CE2 TYR A 100 -8.886 -17.989 1.305 1.00 14.21 C ATOM 1606 CZ TYR A 100 -9.306 -16.709 1.567 1.00 41.14 C ATOM 1607 OH TYR A 100 -10.648 -16.427 1.589 1.00 44.34 O ATOM 0 H TYR A 100 -5.865 -17.030 -0.771 1.00 34.32 H new ATOM 0 HA TYR A 100 -4.273 -15.636 1.012 1.00 34.41 H new ATOM 0 HB2 TYR A 100 -4.950 -18.612 1.196 1.00 42.55 H new ATOM 0 HB3 TYR A 100 -4.704 -17.504 2.531 1.00 42.55 H new ATOM 0 HD1 TYR A 100 -6.343 -15.209 2.001 1.00 54.41 H new ATOM 0 HD2 TYR A 100 -7.215 -19.278 1.081 1.00 63.03 H new ATOM 0 HE1 TYR A 100 -8.730 -14.712 2.021 1.00 24.32 H new ATOM 0 HE2 TYR A 100 -9.607 -18.769 1.110 1.00 14.21 H new ATOM 0 HH TYR A 100 -10.791 -15.496 1.320 1.00 44.34 H new ATOM 1617 N THR A 101 -2.660 -18.067 -0.485 1.00 34.13 N ATOM 1618 CA THR A 101 -1.341 -18.610 -0.817 1.00 23.10 C ATOM 1619 C THR A 101 -0.386 -17.487 -1.264 1.00 3.45 C ATOM 1620 O THR A 101 0.749 -17.417 -0.802 1.00 70.12 O ATOM 1621 CB THR A 101 -1.459 -19.683 -1.942 1.00 5.24 C ATOM 1622 OG1 THR A 101 -2.174 -19.128 -3.063 1.00 51.32 O ATOM 1623 CG2 THR A 101 -2.167 -20.953 -1.446 1.00 52.51 C ATOM 0 H THR A 101 -3.413 -18.453 -1.055 1.00 34.13 H new ATOM 0 HA THR A 101 -0.934 -19.080 0.079 1.00 23.10 H new ATOM 0 HB THR A 101 -0.451 -19.965 -2.247 1.00 5.24 H new ATOM 0 HG1 THR A 101 -2.484 -19.853 -3.645 1.00 51.32 H new ATOM 0 HG21 THR A 101 -2.229 -21.676 -2.259 1.00 52.51 H new ATOM 0 HG22 THR A 101 -1.603 -21.385 -0.619 1.00 52.51 H new ATOM 0 HG23 THR A 101 -3.172 -20.701 -1.107 1.00 52.51 H new ATOM 1631 N LYS A 102 -0.888 -16.589 -2.139 1.00 21.24 N ATOM 1632 CA LYS A 102 -0.107 -15.463 -2.676 1.00 11.21 C ATOM 1633 C LYS A 102 0.123 -14.407 -1.597 1.00 13.51 C ATOM 1634 O LYS A 102 1.214 -13.841 -1.493 1.00 23.22 O ATOM 1635 CB LYS A 102 -0.834 -14.826 -3.893 1.00 3.01 C ATOM 1636 CG LYS A 102 -1.166 -15.785 -5.068 1.00 52.45 C ATOM 1637 CD LYS A 102 0.083 -16.431 -5.741 1.00 14.22 C ATOM 1638 CE LYS A 102 0.506 -17.773 -5.110 1.00 23.04 C ATOM 1639 NZ LYS A 102 -0.500 -18.839 -5.333 1.00 43.50 N ATOM 0 H LYS A 102 -1.845 -16.628 -2.490 1.00 21.24 H new ATOM 0 HA LYS A 102 0.859 -15.846 -3.005 1.00 11.21 H new ATOM 0 HB2 LYS A 102 -1.764 -14.379 -3.542 1.00 3.01 H new ATOM 0 HB3 LYS A 102 -0.215 -14.015 -4.276 1.00 3.01 H new ATOM 0 HG2 LYS A 102 -1.818 -16.578 -4.701 1.00 52.45 H new ATOM 0 HG3 LYS A 102 -1.727 -15.235 -5.823 1.00 52.45 H new ATOM 0 HD2 LYS A 102 -0.126 -16.588 -6.799 1.00 14.22 H new ATOM 0 HD3 LYS A 102 0.918 -15.733 -5.681 1.00 14.22 H new ATOM 0 HE2 LYS A 102 1.462 -18.085 -5.530 1.00 23.04 H new ATOM 0 HE3 LYS A 102 0.658 -17.637 -4.039 1.00 23.04 H new ATOM 0 HZ1 LYS A 102 -0.016 -19.745 -5.493 1.00 43.50 H new ATOM 0 HZ2 LYS A 102 -1.114 -18.917 -4.497 1.00 43.50 H new ATOM 0 HZ3 LYS A 102 -1.077 -18.603 -6.165 1.00 43.50 H new ATOM 1653 N ALA A 103 -0.931 -14.170 -0.802 1.00 13.10 N ATOM 1654 CA ALA A 103 -0.942 -13.167 0.258 1.00 62.33 C ATOM 1655 C ALA A 103 0.107 -13.485 1.319 1.00 44.11 C ATOM 1656 O ALA A 103 0.925 -12.635 1.657 1.00 63.12 O ATOM 1657 CB ALA A 103 -2.339 -13.082 0.888 1.00 11.21 C ATOM 0 H ALA A 103 -1.810 -14.681 -0.884 1.00 13.10 H new ATOM 0 HA ALA A 103 -0.694 -12.200 -0.179 1.00 62.33 H new ATOM 0 HB1 ALA A 103 -2.337 -12.331 1.678 1.00 11.21 H new ATOM 0 HB2 ALA A 103 -3.066 -12.804 0.125 1.00 11.21 H new ATOM 0 HB3 ALA A 103 -2.608 -14.051 1.309 1.00 11.21 H new ATOM 1663 N MET A 104 0.101 -14.743 1.784 1.00 61.54 N ATOM 1664 CA MET A 104 0.959 -15.200 2.890 1.00 0.13 C ATOM 1665 C MET A 104 2.453 -15.142 2.523 1.00 31.11 C ATOM 1666 O MET A 104 3.308 -15.031 3.412 1.00 13.42 O ATOM 1667 CB MET A 104 0.552 -16.624 3.345 1.00 10.53 C ATOM 1668 CG MET A 104 0.897 -17.765 2.391 1.00 34.44 C ATOM 1669 SD MET A 104 0.467 -19.379 3.077 1.00 14.02 S ATOM 1670 CE MET A 104 -1.291 -19.203 3.390 1.00 71.33 C ATOM 0 H MET A 104 -0.500 -15.474 1.404 1.00 61.54 H new ATOM 0 HA MET A 104 0.809 -14.515 3.725 1.00 0.13 H new ATOM 0 HB2 MET A 104 1.028 -16.825 4.305 1.00 10.53 H new ATOM 0 HB3 MET A 104 -0.525 -16.634 3.515 1.00 10.53 H new ATOM 0 HG2 MET A 104 0.370 -17.620 1.448 1.00 34.44 H new ATOM 0 HG3 MET A 104 1.963 -17.739 2.167 1.00 34.44 H new ATOM 0 HE1 MET A 104 -1.680 -20.129 3.814 1.00 71.33 H new ATOM 0 HE2 MET A 104 -1.456 -18.385 4.092 1.00 71.33 H new ATOM 0 HE3 MET A 104 -1.807 -18.988 2.455 1.00 71.33 H new ATOM 1680 N ASP A 105 2.752 -15.206 1.204 1.00 75.14 N ATOM 1681 CA ASP A 105 4.118 -15.001 0.688 1.00 42.52 C ATOM 1682 C ASP A 105 4.528 -13.538 0.884 1.00 50.41 C ATOM 1683 O ASP A 105 5.649 -13.255 1.288 1.00 2.02 O ATOM 1684 CB ASP A 105 4.233 -15.350 -0.824 1.00 42.23 C ATOM 1685 CG ASP A 105 3.778 -16.768 -1.201 1.00 34.35 C ATOM 1686 OD1 ASP A 105 4.010 -17.718 -0.425 1.00 54.12 O ATOM 1687 OD2 ASP A 105 3.210 -16.938 -2.307 1.00 34.30 O ATOM 0 H ASP A 105 2.060 -15.399 0.480 1.00 75.14 H new ATOM 0 HA ASP A 105 4.777 -15.668 1.244 1.00 42.52 H new ATOM 0 HB2 ASP A 105 3.642 -14.632 -1.393 1.00 42.23 H new ATOM 0 HB3 ASP A 105 5.271 -15.224 -1.132 1.00 42.23 H new ATOM 1692 N VAL A 106 3.578 -12.621 0.620 1.00 1.23 N ATOM 1693 CA VAL A 106 3.823 -11.166 0.635 1.00 21.20 C ATOM 1694 C VAL A 106 3.871 -10.654 2.091 1.00 53.03 C ATOM 1695 O VAL A 106 4.561 -9.673 2.396 1.00 22.12 O ATOM 1696 CB VAL A 106 2.720 -10.412 -0.201 1.00 61.34 C ATOM 1697 CG1 VAL A 106 2.955 -8.885 -0.236 1.00 22.22 C ATOM 1698 CG2 VAL A 106 2.632 -10.985 -1.634 1.00 32.21 C ATOM 0 H VAL A 106 2.616 -12.869 0.390 1.00 1.23 H new ATOM 0 HA VAL A 106 4.788 -10.963 0.170 1.00 21.20 H new ATOM 0 HB VAL A 106 1.767 -10.579 0.301 1.00 61.34 H new ATOM 0 HG11 VAL A 106 2.170 -8.409 -0.824 1.00 22.22 H new ATOM 0 HG12 VAL A 106 2.937 -8.491 0.780 1.00 22.22 H new ATOM 0 HG13 VAL A 106 3.924 -8.676 -0.689 1.00 22.22 H new ATOM 0 HG21 VAL A 106 1.864 -10.450 -2.193 1.00 32.21 H new ATOM 0 HG22 VAL A 106 3.594 -10.866 -2.133 1.00 32.21 H new ATOM 0 HG23 VAL A 106 2.376 -12.043 -1.588 1.00 32.21 H new ATOM 1708 N TYR A 107 3.146 -11.357 2.984 1.00 73.02 N ATOM 1709 CA TYR A 107 3.211 -11.128 4.437 1.00 23.13 C ATOM 1710 C TYR A 107 4.579 -11.564 4.976 1.00 10.04 C ATOM 1711 O TYR A 107 5.162 -10.885 5.826 1.00 71.02 O ATOM 1712 CB TYR A 107 2.074 -11.883 5.176 1.00 23.33 C ATOM 1713 CG TYR A 107 0.669 -11.300 4.946 1.00 23.14 C ATOM 1714 CD1 TYR A 107 0.412 -9.948 5.168 1.00 20.24 C ATOM 1715 CD2 TYR A 107 -0.402 -12.096 4.563 1.00 71.41 C ATOM 1716 CE1 TYR A 107 -0.853 -9.414 5.024 1.00 61.55 C ATOM 1717 CE2 TYR A 107 -1.664 -11.564 4.403 1.00 64.40 C ATOM 1718 CZ TYR A 107 -1.888 -10.228 4.639 1.00 2.14 C ATOM 1719 OH TYR A 107 -3.156 -9.710 4.497 1.00 13.22 O ATOM 0 H TYR A 107 2.500 -12.099 2.716 1.00 73.02 H new ATOM 0 HA TYR A 107 3.078 -10.062 4.620 1.00 23.13 H new ATOM 0 HB2 TYR A 107 2.079 -12.925 4.856 1.00 23.33 H new ATOM 0 HB3 TYR A 107 2.286 -11.877 6.245 1.00 23.33 H new ATOM 0 HD1 TYR A 107 1.225 -9.300 5.461 1.00 20.24 H new ATOM 0 HD2 TYR A 107 -0.244 -13.150 4.387 1.00 71.41 H new ATOM 0 HE1 TYR A 107 -1.026 -8.365 5.213 1.00 61.55 H new ATOM 0 HE2 TYR A 107 -2.480 -12.199 4.091 1.00 64.40 H new ATOM 0 HH TYR A 107 -3.770 -10.421 4.218 1.00 13.22 H new ATOM 1729 N GLN A 108 5.082 -12.704 4.452 1.00 54.50 N ATOM 1730 CA GLN A 108 6.426 -13.217 4.772 1.00 52.53 C ATOM 1731 C GLN A 108 7.473 -12.181 4.309 1.00 33.35 C ATOM 1732 O GLN A 108 8.391 -11.861 5.058 1.00 51.13 O ATOM 1733 CB GLN A 108 6.644 -14.617 4.096 1.00 13.14 C ATOM 1734 CG GLN A 108 7.798 -15.491 4.668 1.00 10.35 C ATOM 1735 CD GLN A 108 9.202 -15.104 4.179 1.00 15.40 C ATOM 1736 OE1 GLN A 108 9.839 -14.184 4.875 1.00 42.12 O flip ATOM 1737 NE2 GLN A 108 9.687 -15.614 3.171 1.00 70.54 N flip ATOM 0 H GLN A 108 4.566 -13.291 3.797 1.00 54.50 H new ATOM 0 HA GLN A 108 6.534 -13.361 5.847 1.00 52.53 H new ATOM 0 HB2 GLN A 108 5.716 -15.183 4.175 1.00 13.14 H new ATOM 0 HB3 GLN A 108 6.830 -14.458 3.034 1.00 13.14 H new ATOM 0 HG2 GLN A 108 7.777 -15.428 5.756 1.00 10.35 H new ATOM 0 HG3 GLN A 108 7.611 -16.532 4.405 1.00 10.35 H new ATOM 0 HE21 GLN A 108 9.165 -16.324 2.657 1.00 70.54 H new ATOM 0 HE22 GLN A 108 10.611 -15.327 2.849 1.00 70.54 H new ATOM 1746 N LYS A 109 7.278 -11.637 3.088 1.00 10.42 N ATOM 1747 CA LYS A 109 8.158 -10.606 2.500 1.00 0.44 C ATOM 1748 C LYS A 109 8.129 -9.310 3.322 1.00 2.35 C ATOM 1749 O LYS A 109 9.161 -8.660 3.471 1.00 0.33 O ATOM 1750 CB LYS A 109 7.760 -10.314 1.025 1.00 3.10 C ATOM 1751 CG LYS A 109 7.958 -11.508 0.070 1.00 41.13 C ATOM 1752 CD LYS A 109 9.435 -11.916 -0.118 1.00 20.14 C ATOM 1753 CE LYS A 109 10.268 -10.840 -0.842 1.00 31.34 C ATOM 1754 NZ LYS A 109 11.659 -11.298 -1.111 1.00 10.22 N ATOM 0 H LYS A 109 6.502 -11.902 2.481 1.00 10.42 H new ATOM 0 HA LYS A 109 9.175 -10.997 2.517 1.00 0.44 H new ATOM 0 HB2 LYS A 109 6.714 -10.009 0.996 1.00 3.10 H new ATOM 0 HB3 LYS A 109 8.348 -9.471 0.662 1.00 3.10 H new ATOM 0 HG2 LYS A 109 7.400 -12.363 0.452 1.00 41.13 H new ATOM 0 HG3 LYS A 109 7.533 -11.258 -0.902 1.00 41.13 H new ATOM 0 HD2 LYS A 109 9.878 -12.116 0.858 1.00 20.14 H new ATOM 0 HD3 LYS A 109 9.480 -12.846 -0.685 1.00 20.14 H new ATOM 0 HE2 LYS A 109 9.784 -10.579 -1.783 1.00 31.34 H new ATOM 0 HE3 LYS A 109 10.295 -9.934 -0.236 1.00 31.34 H new ATOM 0 HZ1 LYS A 109 12.184 -10.545 -1.599 1.00 10.22 H new ATOM 0 HZ2 LYS A 109 12.131 -11.522 -0.212 1.00 10.22 H new ATOM 0 HZ3 LYS A 109 11.635 -12.147 -1.711 1.00 10.22 H new ATOM 1768 N ALA A 110 6.947 -8.955 3.856 1.00 64.01 N ATOM 1769 CA ALA A 110 6.784 -7.775 4.732 1.00 74.14 C ATOM 1770 C ALA A 110 7.615 -7.957 6.018 1.00 50.13 C ATOM 1771 O ALA A 110 8.385 -7.074 6.401 1.00 72.40 O ATOM 1772 CB ALA A 110 5.299 -7.537 5.059 1.00 14.13 C ATOM 0 H ALA A 110 6.082 -9.472 3.696 1.00 64.01 H new ATOM 0 HA ALA A 110 7.150 -6.893 4.206 1.00 74.14 H new ATOM 0 HB1 ALA A 110 5.204 -6.664 5.705 1.00 14.13 H new ATOM 0 HB2 ALA A 110 4.746 -7.367 4.135 1.00 14.13 H new ATOM 0 HB3 ALA A 110 4.894 -8.411 5.569 1.00 14.13 H new ATOM 1778 N LEU A 111 7.474 -9.144 6.640 1.00 10.33 N ATOM 1779 CA LEU A 111 8.246 -9.538 7.842 1.00 20.11 C ATOM 1780 C LEU A 111 9.753 -9.669 7.534 1.00 35.33 C ATOM 1781 O LEU A 111 10.598 -9.486 8.417 1.00 71.10 O ATOM 1782 CB LEU A 111 7.710 -10.884 8.385 1.00 54.01 C ATOM 1783 CG LEU A 111 6.233 -10.891 8.882 1.00 34.53 C ATOM 1784 CD1 LEU A 111 5.758 -12.336 9.174 1.00 51.43 C ATOM 1785 CD2 LEU A 111 6.056 -9.970 10.112 1.00 42.31 C ATOM 0 H LEU A 111 6.820 -9.861 6.324 1.00 10.33 H new ATOM 0 HA LEU A 111 8.122 -8.756 8.591 1.00 20.11 H new ATOM 0 HB2 LEU A 111 7.810 -11.633 7.600 1.00 54.01 H new ATOM 0 HB3 LEU A 111 8.350 -11.199 9.210 1.00 54.01 H new ATOM 0 HG LEU A 111 5.603 -10.493 8.087 1.00 34.53 H new ATOM 0 HD11 LEU A 111 4.724 -12.316 9.520 1.00 51.43 H new ATOM 0 HD12 LEU A 111 5.825 -12.932 8.264 1.00 51.43 H new ATOM 0 HD13 LEU A 111 6.390 -12.778 9.944 1.00 51.43 H new ATOM 0 HD21 LEU A 111 5.016 -9.994 10.438 1.00 42.31 H new ATOM 0 HD22 LEU A 111 6.698 -10.317 10.922 1.00 42.31 H new ATOM 0 HD23 LEU A 111 6.329 -8.949 9.844 1.00 42.31 H new ATOM 1797 N ASP A 112 10.060 -10.011 6.272 1.00 72.21 N ATOM 1798 CA ASP A 112 11.433 -10.177 5.766 1.00 50.34 C ATOM 1799 C ASP A 112 12.118 -8.808 5.643 1.00 2.11 C ATOM 1800 O ASP A 112 13.325 -8.687 5.887 1.00 75.42 O ATOM 1801 CB ASP A 112 11.394 -10.918 4.402 1.00 30.44 C ATOM 1802 CG ASP A 112 12.764 -11.090 3.735 1.00 43.13 C ATOM 1803 OD1 ASP A 112 13.542 -11.959 4.173 1.00 23.22 O ATOM 1804 OD2 ASP A 112 13.073 -10.348 2.775 1.00 54.41 O ATOM 0 H ASP A 112 9.348 -10.183 5.562 1.00 72.21 H new ATOM 0 HA ASP A 112 12.015 -10.777 6.466 1.00 50.34 H new ATOM 0 HB2 ASP A 112 10.949 -11.902 4.550 1.00 30.44 H new ATOM 0 HB3 ASP A 112 10.739 -10.371 3.724 1.00 30.44 H new ATOM 1809 N LEU A 113 11.330 -7.778 5.293 1.00 65.45 N ATOM 1810 CA LEU A 113 11.813 -6.392 5.234 1.00 75.11 C ATOM 1811 C LEU A 113 11.957 -5.821 6.655 1.00 35.43 C ATOM 1812 O LEU A 113 12.913 -5.093 6.941 1.00 32.21 O ATOM 1813 CB LEU A 113 10.869 -5.505 4.380 1.00 32.11 C ATOM 1814 CG LEU A 113 10.684 -5.924 2.885 1.00 13.53 C ATOM 1815 CD1 LEU A 113 9.798 -4.911 2.130 1.00 72.31 C ATOM 1816 CD2 LEU A 113 12.043 -6.133 2.173 1.00 74.24 C ATOM 0 H LEU A 113 10.346 -7.883 5.045 1.00 65.45 H new ATOM 0 HA LEU A 113 12.792 -6.391 4.754 1.00 75.11 H new ATOM 0 HB2 LEU A 113 9.888 -5.494 4.855 1.00 32.11 H new ATOM 0 HB3 LEU A 113 11.247 -4.483 4.404 1.00 32.11 H new ATOM 0 HG LEU A 113 10.170 -6.885 2.876 1.00 13.53 H new ATOM 0 HD11 LEU A 113 9.686 -5.227 1.093 1.00 72.31 H new ATOM 0 HD12 LEU A 113 8.817 -4.863 2.602 1.00 72.31 H new ATOM 0 HD13 LEU A 113 10.264 -3.926 2.161 1.00 72.31 H new ATOM 0 HD21 LEU A 113 11.870 -6.423 1.137 1.00 74.24 H new ATOM 0 HD22 LEU A 113 12.614 -5.205 2.199 1.00 74.24 H new ATOM 0 HD23 LEU A 113 12.603 -6.918 2.681 1.00 74.24 H new ATOM 1828 N ASP A 114 11.002 -6.169 7.540 1.00 32.54 N ATOM 1829 CA ASP A 114 11.000 -5.709 8.941 1.00 74.31 C ATOM 1830 C ASP A 114 9.999 -6.526 9.771 1.00 65.33 C ATOM 1831 O ASP A 114 8.823 -6.601 9.428 1.00 54.20 O ATOM 1832 CB ASP A 114 10.652 -4.190 9.017 1.00 35.01 C ATOM 1833 CG ASP A 114 10.777 -3.557 10.414 1.00 11.11 C ATOM 1834 OD1 ASP A 114 11.381 -4.162 11.339 1.00 74.22 O ATOM 1835 OD2 ASP A 114 10.273 -2.431 10.593 1.00 52.32 O ATOM 0 H ASP A 114 10.215 -6.774 7.305 1.00 32.54 H new ATOM 0 HA ASP A 114 11.998 -5.857 9.353 1.00 74.31 H new ATOM 0 HB2 ASP A 114 11.305 -3.650 8.331 1.00 35.01 H new ATOM 0 HB3 ASP A 114 9.631 -4.050 8.662 1.00 35.01 H new ATOM 1840 N SER A 115 10.469 -7.089 10.894 1.00 32.54 N ATOM 1841 CA SER A 115 9.635 -7.882 11.817 1.00 41.14 C ATOM 1842 C SER A 115 8.506 -7.021 12.428 1.00 43.41 C ATOM 1843 O SER A 115 7.416 -7.535 12.720 1.00 21.34 O ATOM 1844 CB SER A 115 10.515 -8.505 12.921 1.00 31.15 C ATOM 1845 OG SER A 115 11.262 -7.516 13.613 1.00 61.43 O ATOM 0 H SER A 115 11.441 -7.008 11.191 1.00 32.54 H new ATOM 0 HA SER A 115 9.163 -8.686 11.252 1.00 41.14 H new ATOM 0 HB2 SER A 115 9.885 -9.047 13.627 1.00 31.15 H new ATOM 0 HB3 SER A 115 11.195 -9.232 12.478 1.00 31.15 H new ATOM 0 HG SER A 115 11.807 -7.943 14.306 1.00 61.43 H new ATOM 1851 N SER A 116 8.752 -5.682 12.537 1.00 75.42 N ATOM 1852 CA SER A 116 7.753 -4.706 13.041 1.00 51.01 C ATOM 1853 C SER A 116 6.459 -4.727 12.202 1.00 14.02 C ATOM 1854 O SER A 116 5.433 -4.208 12.637 1.00 60.53 O ATOM 1855 CB SER A 116 8.338 -3.283 13.062 1.00 43.31 C ATOM 1856 OG SER A 116 9.607 -3.264 13.690 1.00 34.32 O ATOM 0 H SER A 116 9.643 -5.257 12.279 1.00 75.42 H new ATOM 0 HA SER A 116 7.502 -5.003 14.059 1.00 51.01 H new ATOM 0 HB2 SER A 116 8.427 -2.908 12.042 1.00 43.31 H new ATOM 0 HB3 SER A 116 7.658 -2.614 13.589 1.00 43.31 H new ATOM 0 HG SER A 116 10.294 -3.537 13.047 1.00 34.32 H new ATOM 1862 N CYS A 117 6.517 -5.380 11.015 1.00 12.34 N ATOM 1863 CA CYS A 117 5.348 -5.696 10.180 1.00 62.30 C ATOM 1864 C CYS A 117 4.424 -6.762 10.814 1.00 34.32 C ATOM 1865 O CYS A 117 3.672 -7.405 10.097 1.00 5.25 O ATOM 1866 CB CYS A 117 5.823 -6.142 8.792 1.00 10.33 C ATOM 1867 SG CYS A 117 6.949 -4.974 8.037 1.00 15.52 S ATOM 0 H CYS A 117 7.396 -5.704 10.611 1.00 12.34 H new ATOM 0 HA CYS A 117 4.748 -4.790 10.094 1.00 62.30 H new ATOM 0 HB2 CYS A 117 6.314 -7.112 8.875 1.00 10.33 H new ATOM 0 HB3 CYS A 117 4.958 -6.277 8.143 1.00 10.33 H new ATOM 0 HG CYS A 117 7.750 -5.603 7.229 1.00 15.52 H new ATOM 1873 N LYS A 118 4.560 -7.006 12.134 1.00 1.21 N ATOM 1874 CA LYS A 118 3.599 -7.797 12.942 1.00 53.13 C ATOM 1875 C LYS A 118 2.107 -7.570 12.562 1.00 52.44 C ATOM 1876 O LYS A 118 1.329 -8.529 12.590 1.00 34.13 O ATOM 1877 CB LYS A 118 3.779 -7.470 14.450 1.00 54.32 C ATOM 1878 CG LYS A 118 5.186 -7.752 15.019 1.00 13.33 C ATOM 1879 CD LYS A 118 5.609 -9.239 14.905 1.00 45.35 C ATOM 1880 CE LYS A 118 4.685 -10.192 15.685 1.00 11.12 C ATOM 1881 NZ LYS A 118 5.111 -11.609 15.539 1.00 24.01 N ATOM 0 H LYS A 118 5.349 -6.657 12.678 1.00 1.21 H new ATOM 0 HA LYS A 118 3.828 -8.841 12.728 1.00 53.13 H new ATOM 0 HB2 LYS A 118 3.545 -6.417 14.608 1.00 54.32 H new ATOM 0 HB3 LYS A 118 3.051 -8.047 15.020 1.00 54.32 H new ATOM 0 HG2 LYS A 118 5.913 -7.134 14.493 1.00 13.33 H new ATOM 0 HG3 LYS A 118 5.213 -7.454 16.067 1.00 13.33 H new ATOM 0 HD2 LYS A 118 5.616 -9.529 13.854 1.00 45.35 H new ATOM 0 HD3 LYS A 118 6.629 -9.350 15.273 1.00 45.35 H new ATOM 0 HE2 LYS A 118 4.686 -9.918 16.740 1.00 11.12 H new ATOM 0 HE3 LYS A 118 3.661 -10.081 15.328 1.00 11.12 H new ATOM 0 HZ1 LYS A 118 4.466 -12.223 16.077 1.00 24.01 H new ATOM 0 HZ2 LYS A 118 5.086 -11.877 14.534 1.00 24.01 H new ATOM 0 HZ3 LYS A 118 6.079 -11.720 15.903 1.00 24.01 H new ATOM 1895 N GLU A 119 1.726 -6.329 12.187 1.00 43.41 N ATOM 1896 CA GLU A 119 0.360 -6.021 11.673 1.00 50.10 C ATOM 1897 C GLU A 119 0.001 -6.917 10.459 1.00 4.53 C ATOM 1898 O GLU A 119 -1.121 -7.423 10.345 1.00 74.35 O ATOM 1899 CB GLU A 119 0.241 -4.518 11.286 1.00 32.53 C ATOM 1900 CG GLU A 119 1.181 -4.050 10.147 1.00 45.41 C ATOM 1901 CD GLU A 119 1.002 -2.568 9.793 1.00 43.13 C ATOM 1902 OE1 GLU A 119 1.516 -1.715 10.532 1.00 12.43 O ATOM 1903 OE2 GLU A 119 0.351 -2.244 8.775 1.00 64.15 O ATOM 0 H GLU A 119 2.343 -5.518 12.228 1.00 43.41 H new ATOM 0 HA GLU A 119 -0.349 -6.232 12.474 1.00 50.10 H new ATOM 0 HB2 GLU A 119 -0.789 -4.317 10.991 1.00 32.53 H new ATOM 0 HB3 GLU A 119 0.442 -3.915 12.171 1.00 32.53 H new ATOM 0 HG2 GLU A 119 2.216 -4.225 10.442 1.00 45.41 H new ATOM 0 HG3 GLU A 119 0.996 -4.655 9.259 1.00 45.41 H new ATOM 1910 N ALA A 120 0.995 -7.117 9.582 1.00 71.25 N ATOM 1911 CA ALA A 120 0.903 -7.997 8.414 1.00 1.53 C ATOM 1912 C ALA A 120 0.951 -9.477 8.841 1.00 44.05 C ATOM 1913 O ALA A 120 0.393 -10.340 8.160 1.00 45.30 O ATOM 1914 CB ALA A 120 2.044 -7.667 7.432 1.00 13.54 C ATOM 0 H ALA A 120 1.903 -6.661 9.669 1.00 71.25 H new ATOM 0 HA ALA A 120 -0.051 -7.830 7.914 1.00 1.53 H new ATOM 0 HB1 ALA A 120 1.976 -8.321 6.563 1.00 13.54 H new ATOM 0 HB2 ALA A 120 1.960 -6.628 7.112 1.00 13.54 H new ATOM 0 HB3 ALA A 120 3.004 -7.818 7.926 1.00 13.54 H new ATOM 1920 N ALA A 121 1.586 -9.760 9.999 1.00 23.44 N ATOM 1921 CA ALA A 121 1.713 -11.136 10.512 1.00 50.02 C ATOM 1922 C ALA A 121 0.349 -11.628 11.007 1.00 14.45 C ATOM 1923 O ALA A 121 0.009 -12.785 10.835 1.00 61.40 O ATOM 1924 CB ALA A 121 2.757 -11.216 11.624 1.00 30.03 C ATOM 0 H ALA A 121 2.017 -9.052 10.594 1.00 23.44 H new ATOM 0 HA ALA A 121 2.051 -11.782 9.701 1.00 50.02 H new ATOM 0 HB1 ALA A 121 2.829 -12.243 11.983 1.00 30.03 H new ATOM 0 HB2 ALA A 121 3.725 -10.898 11.237 1.00 30.03 H new ATOM 0 HB3 ALA A 121 2.463 -10.564 12.447 1.00 30.03 H new ATOM 1930 N ASP A 122 -0.439 -10.714 11.593 1.00 22.34 N ATOM 1931 CA ASP A 122 -1.832 -10.995 11.984 1.00 41.23 C ATOM 1932 C ASP A 122 -2.694 -11.245 10.725 1.00 63.43 C ATOM 1933 O ASP A 122 -3.628 -12.063 10.745 1.00 61.22 O ATOM 1934 CB ASP A 122 -2.393 -9.827 12.828 1.00 73.45 C ATOM 1935 CG ASP A 122 -3.861 -10.034 13.239 1.00 10.32 C ATOM 1936 OD1 ASP A 122 -4.124 -10.792 14.196 1.00 12.02 O ATOM 1937 OD2 ASP A 122 -4.761 -9.450 12.592 1.00 33.42 O ATOM 0 H ASP A 122 -0.133 -9.765 11.809 1.00 22.34 H new ATOM 0 HA ASP A 122 -1.861 -11.896 12.597 1.00 41.23 H new ATOM 0 HB2 ASP A 122 -1.784 -9.708 13.724 1.00 73.45 H new ATOM 0 HB3 ASP A 122 -2.308 -8.901 12.259 1.00 73.45 H new ATOM 1942 N GLY A 123 -2.341 -10.542 9.629 1.00 54.00 N ATOM 1943 CA GLY A 123 -2.942 -10.776 8.313 1.00 4.23 C ATOM 1944 C GLY A 123 -2.559 -12.140 7.738 1.00 41.10 C ATOM 1945 O GLY A 123 -3.330 -12.733 6.974 1.00 41.21 O ATOM 0 H GLY A 123 -1.637 -9.804 9.637 1.00 54.00 H new ATOM 0 HA2 GLY A 123 -4.027 -10.709 8.394 1.00 4.23 H new ATOM 0 HA3 GLY A 123 -2.625 -9.992 7.626 1.00 4.23 H new ATOM 1949 N TYR A 124 -1.346 -12.620 8.087 1.00 15.42 N ATOM 1950 CA TYR A 124 -0.894 -13.983 7.748 1.00 51.41 C ATOM 1951 C TYR A 124 -1.805 -15.025 8.421 1.00 71.22 C ATOM 1952 O TYR A 124 -2.385 -15.868 7.719 1.00 52.25 O ATOM 1953 CB TYR A 124 0.593 -14.185 8.148 1.00 44.11 C ATOM 1954 CG TYR A 124 1.138 -15.618 7.977 1.00 52.51 C ATOM 1955 CD1 TYR A 124 0.903 -16.349 6.812 1.00 24.13 C ATOM 1956 CD2 TYR A 124 1.892 -16.237 8.980 1.00 53.32 C ATOM 1957 CE1 TYR A 124 1.387 -17.631 6.657 1.00 15.51 C ATOM 1958 CE2 TYR A 124 2.378 -17.523 8.823 1.00 13.23 C ATOM 1959 CZ TYR A 124 2.121 -18.212 7.657 1.00 42.50 C ATOM 1960 OH TYR A 124 2.606 -19.488 7.486 1.00 30.24 O ATOM 0 H TYR A 124 -0.658 -12.076 8.608 1.00 15.42 H new ATOM 0 HA TYR A 124 -0.963 -14.119 6.669 1.00 51.41 H new ATOM 0 HB2 TYR A 124 1.206 -13.508 7.553 1.00 44.11 H new ATOM 0 HB3 TYR A 124 0.714 -13.891 9.191 1.00 44.11 H new ATOM 0 HD1 TYR A 124 0.329 -15.901 6.014 1.00 24.13 H new ATOM 0 HD2 TYR A 124 2.099 -15.701 9.894 1.00 53.32 H new ATOM 0 HE1 TYR A 124 1.187 -18.177 5.747 1.00 15.51 H new ATOM 0 HE2 TYR A 124 2.956 -17.985 9.610 1.00 13.23 H new ATOM 0 HH TYR A 124 3.107 -19.757 8.284 1.00 30.24 H new ATOM 1970 N GLN A 125 -1.950 -14.942 9.774 1.00 63.45 N ATOM 1971 CA GLN A 125 -2.859 -15.829 10.546 1.00 23.13 C ATOM 1972 C GLN A 125 -4.279 -15.826 9.959 1.00 72.12 C ATOM 1973 O GLN A 125 -4.937 -16.869 9.930 1.00 44.14 O ATOM 1974 CB GLN A 125 -2.897 -15.448 12.056 1.00 61.24 C ATOM 1975 CG GLN A 125 -1.759 -16.041 12.919 1.00 55.44 C ATOM 1976 CD GLN A 125 -0.368 -15.665 12.433 1.00 35.41 C ATOM 1977 OE1 GLN A 125 0.095 -14.499 12.821 1.00 12.41 O flip ATOM 1978 NE2 GLN A 125 0.263 -16.399 11.673 1.00 41.45 N flip ATOM 0 H GLN A 125 -1.447 -14.268 10.350 1.00 63.45 H new ATOM 0 HA GLN A 125 -2.456 -16.838 10.465 1.00 23.13 H new ATOM 0 HB2 GLN A 125 -2.865 -14.362 12.140 1.00 61.24 H new ATOM 0 HB3 GLN A 125 -3.851 -15.772 12.471 1.00 61.24 H new ATOM 0 HG2 GLN A 125 -1.880 -15.701 13.948 1.00 55.44 H new ATOM 0 HG3 GLN A 125 -1.850 -17.127 12.929 1.00 55.44 H new ATOM 0 HE21 GLN A 125 -0.127 -17.299 11.392 1.00 41.45 H new ATOM 0 HE22 GLN A 125 1.176 -16.108 11.324 1.00 41.45 H new ATOM 1987 N ARG A 126 -4.716 -14.654 9.467 1.00 10.24 N ATOM 1988 CA ARG A 126 -5.979 -14.516 8.733 1.00 55.34 C ATOM 1989 C ARG A 126 -5.984 -15.404 7.462 1.00 24.43 C ATOM 1990 O ARG A 126 -6.920 -16.174 7.267 1.00 74.45 O ATOM 1991 CB ARG A 126 -6.235 -13.021 8.370 1.00 11.02 C ATOM 1992 CG ARG A 126 -7.356 -12.778 7.328 1.00 72.01 C ATOM 1993 CD ARG A 126 -8.745 -13.271 7.785 1.00 50.05 C ATOM 1994 NE ARG A 126 -9.684 -13.333 6.657 1.00 14.32 N ATOM 1995 CZ ARG A 126 -10.825 -14.034 6.632 1.00 40.22 C ATOM 1996 NH1 ARG A 126 -11.210 -14.743 7.684 1.00 72.23 N ATOM 1997 NH2 ARG A 126 -11.548 -14.062 5.520 1.00 14.14 N ATOM 0 H ARG A 126 -4.202 -13.779 9.568 1.00 10.24 H new ATOM 0 HA ARG A 126 -6.789 -14.857 9.378 1.00 55.34 H new ATOM 0 HB2 ARG A 126 -6.486 -12.480 9.282 1.00 11.02 H new ATOM 0 HB3 ARG A 126 -5.308 -12.592 7.989 1.00 11.02 H new ATOM 0 HG2 ARG A 126 -7.412 -11.711 7.110 1.00 72.01 H new ATOM 0 HG3 ARG A 126 -7.090 -13.280 6.398 1.00 72.01 H new ATOM 0 HD2 ARG A 126 -8.652 -14.258 8.239 1.00 50.05 H new ATOM 0 HD3 ARG A 126 -9.137 -12.603 8.552 1.00 50.05 H new ATOM 0 HE ARG A 126 -9.447 -12.797 5.822 1.00 14.32 H new ATOM 0 HH11 ARG A 126 -10.635 -14.759 8.526 1.00 72.23 H new ATOM 0 HH12 ARG A 126 -12.081 -15.272 7.651 1.00 72.23 H new ATOM 0 HH21 ARG A 126 -11.233 -13.553 4.694 1.00 14.14 H new ATOM 0 HH22 ARG A 126 -12.418 -14.593 5.491 1.00 14.14 H new ATOM 2011 N CYS A 127 -4.921 -15.324 6.642 1.00 33.44 N ATOM 2012 CA CYS A 127 -4.889 -15.976 5.313 1.00 44.42 C ATOM 2013 C CYS A 127 -4.842 -17.503 5.434 1.00 71.24 C ATOM 2014 O CYS A 127 -5.588 -18.214 4.740 1.00 1.53 O ATOM 2015 CB CYS A 127 -3.696 -15.460 4.489 1.00 35.41 C ATOM 2016 SG CYS A 127 -3.899 -13.755 3.968 1.00 30.33 S ATOM 0 H CYS A 127 -4.069 -14.814 6.874 1.00 33.44 H new ATOM 0 HA CYS A 127 -5.812 -15.716 4.794 1.00 44.42 H new ATOM 0 HB2 CYS A 127 -2.785 -15.548 5.081 1.00 35.41 H new ATOM 0 HB3 CYS A 127 -3.567 -16.091 3.610 1.00 35.41 H new ATOM 0 HG CYS A 127 -2.738 -13.170 3.934 1.00 30.33 H new ATOM 2022 N MET A 128 -3.971 -17.998 6.328 1.00 61.54 N ATOM 2023 CA MET A 128 -3.829 -19.442 6.562 1.00 4.11 C ATOM 2024 C MET A 128 -5.141 -20.046 7.118 1.00 54.23 C ATOM 2025 O MET A 128 -5.580 -21.091 6.649 1.00 3.10 O ATOM 2026 CB MET A 128 -2.629 -19.755 7.496 1.00 61.22 C ATOM 2027 CG MET A 128 -2.677 -19.089 8.873 1.00 22.12 C ATOM 2028 SD MET A 128 -1.514 -19.807 10.048 1.00 32.41 S ATOM 2029 CE MET A 128 -2.233 -21.438 10.288 1.00 35.10 C ATOM 0 H MET A 128 -3.356 -17.419 6.900 1.00 61.54 H new ATOM 0 HA MET A 128 -3.623 -19.911 5.600 1.00 4.11 H new ATOM 0 HB2 MET A 128 -2.571 -20.835 7.635 1.00 61.22 H new ATOM 0 HB3 MET A 128 -1.711 -19.448 6.995 1.00 61.22 H new ATOM 0 HG2 MET A 128 -2.463 -18.026 8.763 1.00 22.12 H new ATOM 0 HG3 MET A 128 -3.687 -19.171 9.275 1.00 22.12 H new ATOM 0 HE1 MET A 128 -1.904 -21.844 11.245 1.00 35.10 H new ATOM 0 HE2 MET A 128 -3.320 -21.361 10.282 1.00 35.10 H new ATOM 0 HE3 MET A 128 -1.911 -22.099 9.483 1.00 35.10 H new ATOM 2039 N MET A 129 -5.797 -19.353 8.077 1.00 32.41 N ATOM 2040 CA MET A 129 -7.045 -19.860 8.702 1.00 13.11 C ATOM 2041 C MET A 129 -8.251 -19.694 7.761 1.00 62.01 C ATOM 2042 O MET A 129 -9.249 -20.394 7.910 1.00 72.43 O ATOM 2043 CB MET A 129 -7.343 -19.164 10.062 1.00 44.33 C ATOM 2044 CG MET A 129 -7.936 -17.745 9.967 1.00 51.34 C ATOM 2045 SD MET A 129 -8.419 -17.074 11.570 1.00 14.32 S ATOM 2046 CE MET A 129 -9.748 -18.188 12.029 1.00 64.41 C ATOM 0 H MET A 129 -5.488 -18.449 8.434 1.00 32.41 H new ATOM 0 HA MET A 129 -6.885 -20.922 8.890 1.00 13.11 H new ATOM 0 HB2 MET A 129 -8.034 -19.790 10.627 1.00 44.33 H new ATOM 0 HB3 MET A 129 -6.417 -19.114 10.635 1.00 44.33 H new ATOM 0 HG2 MET A 129 -7.204 -17.081 9.507 1.00 51.34 H new ATOM 0 HG3 MET A 129 -8.806 -17.764 9.310 1.00 51.34 H new ATOM 0 HE1 MET A 129 -10.381 -17.710 12.777 1.00 64.41 H new ATOM 0 HE2 MET A 129 -10.344 -18.427 11.148 1.00 64.41 H new ATOM 0 HE3 MET A 129 -9.328 -19.105 12.442 1.00 64.41 H new ATOM 2056 N ALA A 130 -8.145 -18.747 6.803 1.00 22.34 N ATOM 2057 CA ALA A 130 -9.231 -18.420 5.863 1.00 32.33 C ATOM 2058 C ALA A 130 -9.485 -19.580 4.894 1.00 43.54 C ATOM 2059 O ALA A 130 -10.631 -19.956 4.651 1.00 72.44 O ATOM 2060 CB ALA A 130 -8.914 -17.128 5.103 1.00 13.52 C ATOM 0 H ALA A 130 -7.302 -18.190 6.663 1.00 22.34 H new ATOM 0 HA ALA A 130 -10.144 -18.261 6.438 1.00 32.33 H new ATOM 0 HB1 ALA A 130 -9.727 -16.903 4.413 1.00 13.52 H new ATOM 0 HB2 ALA A 130 -8.801 -16.307 5.812 1.00 13.52 H new ATOM 0 HB3 ALA A 130 -7.988 -17.254 4.543 1.00 13.52 H new ATOM 2066 N GLN A 131 -8.401 -20.149 4.347 1.00 33.54 N ATOM 2067 CA GLN A 131 -8.488 -21.362 3.508 1.00 42.11 C ATOM 2068 C GLN A 131 -8.823 -22.598 4.366 1.00 60.44 C ATOM 2069 O GLN A 131 -9.438 -23.545 3.873 1.00 44.52 O ATOM 2070 CB GLN A 131 -7.179 -21.596 2.709 1.00 14.04 C ATOM 2071 CG GLN A 131 -5.899 -21.608 3.555 1.00 21.03 C ATOM 2072 CD GLN A 131 -4.650 -22.020 2.780 1.00 55.45 C ATOM 2073 OE1 GLN A 131 -3.490 -21.669 3.290 1.00 13.44 O flip ATOM 2074 NE2 GLN A 131 -4.726 -22.717 1.771 1.00 51.44 N flip ATOM 0 H GLN A 131 -7.453 -19.792 4.468 1.00 33.54 H new ATOM 0 HA GLN A 131 -9.294 -21.207 2.791 1.00 42.11 H new ATOM 0 HB2 GLN A 131 -7.257 -22.547 2.182 1.00 14.04 H new ATOM 0 HB3 GLN A 131 -7.089 -20.818 1.951 1.00 14.04 H new ATOM 0 HG2 GLN A 131 -5.743 -20.614 3.975 1.00 21.03 H new ATOM 0 HG3 GLN A 131 -6.036 -22.290 4.394 1.00 21.03 H new ATOM 0 HE21 GLN A 131 -5.639 -22.975 1.397 1.00 51.44 H new ATOM 0 HE22 GLN A 131 -3.876 -23.038 1.308 1.00 51.44 H new ATOM 2083 N TYR A 132 -8.417 -22.579 5.658 1.00 5.12 N ATOM 2084 CA TYR A 132 -8.661 -23.702 6.593 1.00 75.55 C ATOM 2085 C TYR A 132 -9.869 -23.401 7.507 1.00 61.33 C ATOM 2086 O TYR A 132 -9.879 -23.802 8.676 1.00 40.45 O ATOM 2087 CB TYR A 132 -7.379 -23.978 7.446 1.00 53.14 C ATOM 2088 CG TYR A 132 -6.083 -24.250 6.652 1.00 2.32 C ATOM 2089 CD1 TYR A 132 -6.102 -24.725 5.334 1.00 21.31 C ATOM 2090 CD2 TYR A 132 -4.830 -24.008 7.227 1.00 44.21 C ATOM 2091 CE1 TYR A 132 -4.934 -24.939 4.633 1.00 1.33 C ATOM 2092 CE2 TYR A 132 -3.663 -24.226 6.525 1.00 0.51 C ATOM 2093 CZ TYR A 132 -3.720 -24.690 5.230 1.00 24.25 C ATOM 2094 OH TYR A 132 -2.555 -24.903 4.527 1.00 35.31 O ATOM 0 H TYR A 132 -7.917 -21.795 6.077 1.00 5.12 H new ATOM 0 HA TYR A 132 -8.893 -24.594 6.012 1.00 75.55 H new ATOM 0 HB2 TYR A 132 -7.209 -23.121 8.098 1.00 53.14 H new ATOM 0 HB3 TYR A 132 -7.573 -24.835 8.091 1.00 53.14 H new ATOM 0 HD1 TYR A 132 -7.050 -24.927 4.858 1.00 21.31 H new ATOM 0 HD2 TYR A 132 -4.776 -23.643 8.242 1.00 44.21 H new ATOM 0 HE1 TYR A 132 -4.972 -25.302 3.616 1.00 1.33 H new ATOM 0 HE2 TYR A 132 -2.707 -24.033 6.990 1.00 0.51 H new ATOM 0 HH TYR A 132 -1.786 -24.678 5.092 1.00 35.31 H new ATOM 2104 N ASN A 133 -10.910 -22.735 6.957 1.00 65.33 N ATOM 2105 CA ASN A 133 -12.178 -22.506 7.687 1.00 60.04 C ATOM 2106 C ASN A 133 -12.919 -23.853 7.859 1.00 71.43 C ATOM 2107 O ASN A 133 -12.974 -24.372 8.988 1.00 41.34 O ATOM 2108 CB ASN A 133 -13.103 -21.470 6.972 1.00 24.24 C ATOM 2109 CG ASN A 133 -12.652 -20.008 7.063 1.00 12.33 C ATOM 2110 OD1 ASN A 133 -11.968 -19.621 8.137 1.00 12.32 O flip ATOM 2111 ND2 ASN A 133 -12.943 -19.217 6.174 1.00 63.21 N flip ATOM 2112 OXT ASN A 133 -13.387 -24.412 6.844 1.00 38.61 O ATOM 0 H ASN A 133 -10.897 -22.348 6.013 1.00 65.33 H new ATOM 0 HA ASN A 133 -11.929 -22.086 8.661 1.00 60.04 H new ATOM 0 HB2 ASN A 133 -13.180 -21.743 5.920 1.00 24.24 H new ATOM 0 HB3 ASN A 133 -14.104 -21.550 7.396 1.00 24.24 H new ATOM 0 HD21 ASN A 133 -13.468 -19.536 5.360 1.00 63.21 H new ATOM 0 HD22 ASN A 133 -12.660 -18.240 6.248 1.00 63.21 H new