USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 622 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 34 SER OG : rot 78:sc= 1.2 USER MOD Set 1.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 35 TYR OH : rot 44:sc= 0.728 USER MOD Set 2.2: A 61 ASN : amide:sc= 0.634 K(o=1.4,f=-1) USER MOD Set 3.1: A 28 SER OG : rot -78:sc= 0.962 USER MOD Set 3.2: A 68 THR OG1 : rot -33:sc= 1.33 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 153:sc= 1.97 (180deg=-0.125) USER MOD Single : A 25 ASN : amide:sc= 0.673 K(o=0.67,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.597 (180deg=-0.597) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 167:sc= -0.0202 (180deg=-0.182) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -2.99! C(o=-3!,f=-2.6!) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= -0.0182 (180deg=-0.267) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.83 F(o=-5.5!,f=-1.8) USER MOD Single : A 50 ASN : amide:sc= -0.681 K(o=-0.68,f=-1.3) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 1.11 (180deg=0.987) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.246 F(o=-3.3!,f=-0.25) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -1.48 F(o=-2.3,f=-1.5) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.17) USER MOD Single : A 74 ASN : amide:sc= -0.614 X(o=-0.61,f=-0.17) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.417 USER MOD Single : A 78 LYS NZ :NH3+ -179:sc= 0.596 (180deg=0.595) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 270 N GLU A 14 -5.269 -6.683 2.158 1.00 0.52 N ATOM 271 CA GLU A 14 -4.392 -5.816 1.385 1.00 0.50 C ATOM 272 C GLU A 14 -4.460 -4.393 1.928 1.00 0.33 C ATOM 273 O GLU A 14 -5.501 -3.958 2.422 1.00 0.37 O ATOM 274 CB GLU A 14 -4.802 -5.849 -0.089 1.00 0.68 C ATOM 275 CG GLU A 14 -6.150 -5.209 -0.357 1.00 0.54 C ATOM 276 CD GLU A 14 -6.787 -5.692 -1.640 1.00 1.00 C ATOM 277 OE1 GLU A 14 -6.040 -6.033 -2.578 1.00 1.37 O ATOM 278 OE2 GLU A 14 -8.028 -5.709 -1.734 1.00 1.53 O ATOM 0 HA GLU A 14 -3.365 -6.171 1.470 1.00 0.50 H new ATOM 0 HB2 GLU A 14 -4.042 -5.338 -0.681 1.00 0.68 H new ATOM 0 HB3 GLU A 14 -4.827 -6.885 -0.428 1.00 0.68 H new ATOM 0 HG2 GLU A 14 -6.819 -5.421 0.477 1.00 0.54 H new ATOM 0 HG3 GLU A 14 -6.030 -4.127 -0.402 1.00 0.54 H new ATOM 285 N SER A 15 -3.352 -3.674 1.849 1.00 0.29 N ATOM 286 CA SER A 15 -3.288 -2.339 2.427 1.00 0.26 C ATOM 287 C SER A 15 -3.182 -1.261 1.347 1.00 0.18 C ATOM 288 O SER A 15 -4.088 -0.449 1.194 1.00 0.24 O ATOM 289 CB SER A 15 -2.103 -2.253 3.392 1.00 0.39 C ATOM 290 OG SER A 15 -2.107 -3.349 4.296 1.00 1.38 O ATOM 0 H SER A 15 -2.493 -3.986 1.396 1.00 0.29 H new ATOM 0 HA SER A 15 -4.213 -2.159 2.974 1.00 0.26 H new ATOM 0 HB2 SER A 15 -1.170 -2.244 2.829 1.00 0.39 H new ATOM 0 HB3 SER A 15 -2.149 -1.317 3.948 1.00 0.39 H new ATOM 0 HG SER A 15 -1.341 -3.276 4.903 1.00 1.38 H new ATOM 296 N LEU A 16 -2.100 -1.286 0.569 1.00 0.15 N ATOM 297 CA LEU A 16 -1.858 -0.268 -0.455 1.00 0.12 C ATOM 298 C LEU A 16 -2.923 -0.323 -1.535 1.00 0.12 C ATOM 299 O LEU A 16 -3.472 0.702 -1.939 1.00 0.14 O ATOM 300 CB LEU A 16 -0.482 -0.458 -1.100 1.00 0.13 C ATOM 301 CG LEU A 16 0.738 -0.074 -0.256 1.00 0.14 C ATOM 302 CD1 LEU A 16 0.700 1.394 0.142 1.00 0.13 C ATOM 303 CD2 LEU A 16 0.868 -0.956 0.973 1.00 0.19 C ATOM 0 H LEU A 16 -1.375 -2.001 0.628 1.00 0.15 H new ATOM 0 HA LEU A 16 -1.894 0.704 0.037 1.00 0.12 H new ATOM 0 HB2 LEU A 16 -0.382 -1.506 -1.384 1.00 0.13 H new ATOM 0 HB3 LEU A 16 -0.455 0.125 -2.020 1.00 0.13 H new ATOM 0 HG LEU A 16 1.618 -0.234 -0.879 1.00 0.14 H new ATOM 0 HD11 LEU A 16 1.580 1.632 0.740 1.00 0.13 H new ATOM 0 HD12 LEU A 16 0.692 2.014 -0.754 1.00 0.13 H new ATOM 0 HD13 LEU A 16 -0.199 1.589 0.726 1.00 0.13 H new ATOM 0 HD21 LEU A 16 1.744 -0.654 1.547 1.00 0.19 H new ATOM 0 HD22 LEU A 16 -0.024 -0.852 1.591 1.00 0.19 H new ATOM 0 HD23 LEU A 16 0.977 -1.996 0.665 1.00 0.19 H new ATOM 315 N TYR A 17 -3.193 -1.527 -2.011 1.00 0.14 N ATOM 316 CA TYR A 17 -4.261 -1.751 -2.984 1.00 0.18 C ATOM 317 C TYR A 17 -5.572 -1.117 -2.511 1.00 0.20 C ATOM 318 O TYR A 17 -6.303 -0.506 -3.292 1.00 0.27 O ATOM 319 CB TYR A 17 -4.484 -3.251 -3.206 1.00 0.18 C ATOM 320 CG TYR A 17 -3.302 -3.996 -3.795 1.00 0.17 C ATOM 321 CD1 TYR A 17 -3.076 -4.011 -5.167 1.00 0.18 C ATOM 322 CD2 TYR A 17 -2.397 -4.661 -2.977 1.00 0.22 C ATOM 323 CE1 TYR A 17 -1.987 -4.670 -5.704 1.00 0.22 C ATOM 324 CE2 TYR A 17 -1.301 -5.320 -3.505 1.00 0.25 C ATOM 325 CZ TYR A 17 -1.164 -5.411 -4.882 1.00 0.25 C ATOM 326 OH TYR A 17 -0.009 -5.969 -5.405 1.00 0.30 O ATOM 0 H TYR A 17 -2.688 -2.371 -1.741 1.00 0.14 H new ATOM 0 HA TYR A 17 -3.955 -1.286 -3.921 1.00 0.18 H new ATOM 0 HB2 TYR A 17 -4.744 -3.709 -2.252 1.00 0.18 H new ATOM 0 HB3 TYR A 17 -5.342 -3.381 -3.866 1.00 0.18 H new ATOM 0 HD1 TYR A 17 -3.763 -3.499 -5.824 1.00 0.18 H new ATOM 0 HD2 TYR A 17 -2.552 -4.664 -1.908 1.00 0.22 H new ATOM 0 HE1 TYR A 17 -1.781 -4.605 -6.762 1.00 0.22 H new ATOM 0 HE2 TYR A 17 -0.561 -5.758 -2.852 1.00 0.25 H new ATOM 0 HH TYR A 17 0.465 -6.460 -4.702 1.00 0.30 H new ATOM 336 N HIS A 18 -5.833 -1.231 -1.212 1.00 0.19 N ATOM 337 CA HIS A 18 -7.095 -0.793 -0.626 1.00 0.25 C ATOM 338 C HIS A 18 -7.221 0.731 -0.617 1.00 0.19 C ATOM 339 O HIS A 18 -8.331 1.266 -0.654 1.00 0.23 O ATOM 340 CB HIS A 18 -7.220 -1.341 0.799 1.00 0.35 C ATOM 341 CG HIS A 18 -8.544 -1.069 1.443 1.00 0.77 C ATOM 342 ND1 HIS A 18 -8.723 -0.120 2.429 1.00 1.16 N ATOM 343 CD2 HIS A 18 -9.756 -1.636 1.245 1.00 1.11 C ATOM 344 CE1 HIS A 18 -9.987 -0.116 2.807 1.00 1.56 C ATOM 345 NE2 HIS A 18 -10.635 -1.025 2.103 1.00 1.54 N ATOM 0 H HIS A 18 -5.178 -1.628 -0.538 1.00 0.19 H new ATOM 0 HA HIS A 18 -7.904 -1.184 -1.243 1.00 0.25 H new ATOM 0 HB2 HIS A 18 -7.052 -2.418 0.779 1.00 0.35 H new ATOM 0 HB3 HIS A 18 -6.432 -0.907 1.415 1.00 0.35 H new ATOM 0 HD2 HIS A 18 -9.988 -2.423 0.543 1.00 1.11 H new ATOM 0 HE1 HIS A 18 -10.418 0.523 3.564 1.00 1.56 H new ATOM 0 HE2 HIS A 18 -11.629 -1.239 2.184 1.00 1.54 H new ATOM 354 N VAL A 19 -6.091 1.429 -0.575 1.00 0.16 N ATOM 355 CA VAL A 19 -6.107 2.893 -0.536 1.00 0.15 C ATOM 356 C VAL A 19 -6.500 3.440 -1.897 1.00 0.14 C ATOM 357 O VAL A 19 -7.124 4.497 -1.996 1.00 0.17 O ATOM 358 CB VAL A 19 -4.736 3.503 -0.117 1.00 0.17 C ATOM 359 CG1 VAL A 19 -3.867 2.475 0.582 1.00 0.17 C ATOM 360 CG2 VAL A 19 -3.991 4.114 -1.302 1.00 0.22 C ATOM 0 H VAL A 19 -5.160 1.013 -0.567 1.00 0.16 H new ATOM 0 HA VAL A 19 -6.838 3.180 0.220 1.00 0.15 H new ATOM 0 HB VAL A 19 -4.953 4.308 0.585 1.00 0.17 H new ATOM 0 HG11 VAL A 19 -2.917 2.931 0.862 1.00 0.17 H new ATOM 0 HG12 VAL A 19 -4.375 2.117 1.477 1.00 0.17 H new ATOM 0 HG13 VAL A 19 -3.683 1.637 -0.090 1.00 0.17 H new ATOM 0 HG21 VAL A 19 -3.041 4.527 -0.961 1.00 0.22 H new ATOM 0 HG22 VAL A 19 -3.804 3.344 -2.051 1.00 0.22 H new ATOM 0 HG23 VAL A 19 -4.595 4.908 -1.741 1.00 0.22 H new ATOM 370 N LEU A 20 -6.125 2.699 -2.931 1.00 0.14 N ATOM 371 CA LEU A 20 -6.353 3.114 -4.305 1.00 0.18 C ATOM 372 C LEU A 20 -7.676 2.560 -4.818 1.00 0.19 C ATOM 373 O LEU A 20 -8.162 2.943 -5.887 1.00 0.30 O ATOM 374 CB LEU A 20 -5.186 2.654 -5.179 1.00 0.20 C ATOM 375 CG LEU A 20 -3.904 3.481 -5.050 1.00 0.33 C ATOM 376 CD1 LEU A 20 -2.828 2.962 -5.987 1.00 0.71 C ATOM 377 CD2 LEU A 20 -4.184 4.944 -5.329 1.00 0.81 C ATOM 0 H LEU A 20 -5.656 1.798 -2.840 1.00 0.14 H new ATOM 0 HA LEU A 20 -6.412 4.202 -4.347 1.00 0.18 H new ATOM 0 HB2 LEU A 20 -4.956 1.617 -4.933 1.00 0.20 H new ATOM 0 HB3 LEU A 20 -5.506 2.671 -6.221 1.00 0.20 H new ATOM 0 HG LEU A 20 -3.542 3.385 -4.026 1.00 0.33 H new ATOM 0 HD11 LEU A 20 -1.927 3.566 -5.877 1.00 0.71 H new ATOM 0 HD12 LEU A 20 -2.602 1.924 -5.742 1.00 0.71 H new ATOM 0 HD13 LEU A 20 -3.182 3.023 -7.016 1.00 0.71 H new ATOM 0 HD21 LEU A 20 -3.261 5.516 -5.233 1.00 0.81 H new ATOM 0 HD22 LEU A 20 -4.575 5.053 -6.341 1.00 0.81 H new ATOM 0 HD23 LEU A 20 -4.918 5.317 -4.615 1.00 0.81 H new ATOM 389 N GLY A 21 -8.250 1.659 -4.038 1.00 0.16 N ATOM 390 CA GLY A 21 -9.552 1.108 -4.349 1.00 0.21 C ATOM 391 C GLY A 21 -9.503 0.042 -5.425 1.00 0.21 C ATOM 392 O GLY A 21 -10.530 -0.305 -6.012 1.00 0.31 O ATOM 0 H GLY A 21 -7.830 1.295 -3.183 1.00 0.16 H new ATOM 0 HA2 GLY A 21 -9.986 0.683 -3.444 1.00 0.21 H new ATOM 0 HA3 GLY A 21 -10.213 1.912 -4.672 1.00 0.21 H new ATOM 396 N LEU A 22 -8.318 -0.483 -5.685 1.00 0.16 N ATOM 397 CA LEU A 22 -8.148 -1.514 -6.694 1.00 0.19 C ATOM 398 C LEU A 22 -7.699 -2.820 -6.057 1.00 0.22 C ATOM 399 O LEU A 22 -7.279 -2.848 -4.898 1.00 0.22 O ATOM 400 CB LEU A 22 -7.155 -1.058 -7.776 1.00 0.17 C ATOM 401 CG LEU A 22 -5.877 -0.379 -7.272 1.00 0.14 C ATOM 402 CD1 LEU A 22 -4.864 -1.400 -6.778 1.00 0.12 C ATOM 403 CD2 LEU A 22 -5.276 0.483 -8.366 1.00 0.18 C ATOM 0 H LEU A 22 -7.457 -0.211 -5.210 1.00 0.16 H new ATOM 0 HA LEU A 22 -9.112 -1.687 -7.173 1.00 0.19 H new ATOM 0 HB2 LEU A 22 -6.871 -1.927 -8.370 1.00 0.17 H new ATOM 0 HB3 LEU A 22 -7.669 -0.369 -8.446 1.00 0.17 H new ATOM 0 HG LEU A 22 -6.143 0.257 -6.428 1.00 0.14 H new ATOM 0 HD11 LEU A 22 -3.970 -0.885 -6.428 1.00 0.12 H new ATOM 0 HD12 LEU A 22 -5.296 -1.974 -5.959 1.00 0.12 H new ATOM 0 HD13 LEU A 22 -4.599 -2.073 -7.593 1.00 0.12 H new ATOM 0 HD21 LEU A 22 -4.369 0.960 -7.996 1.00 0.18 H new ATOM 0 HD22 LEU A 22 -5.033 -0.139 -9.227 1.00 0.18 H new ATOM 0 HD23 LEU A 22 -5.994 1.248 -8.662 1.00 0.18 H new ATOM 415 N ASP A 23 -7.814 -3.899 -6.809 1.00 0.29 N ATOM 416 CA ASP A 23 -7.416 -5.210 -6.330 1.00 0.36 C ATOM 417 C ASP A 23 -6.002 -5.515 -6.790 1.00 0.26 C ATOM 418 O ASP A 23 -5.330 -4.684 -7.397 1.00 0.22 O ATOM 419 CB ASP A 23 -8.375 -6.279 -6.859 1.00 0.51 C ATOM 420 CG ASP A 23 -8.320 -7.577 -6.083 1.00 1.35 C ATOM 421 OD1 ASP A 23 -8.963 -7.671 -5.016 1.00 1.79 O ATOM 422 OD2 ASP A 23 -7.628 -8.511 -6.533 1.00 2.20 O ATOM 0 H ASP A 23 -8.182 -3.893 -7.760 1.00 0.29 H new ATOM 0 HA ASP A 23 -7.450 -5.214 -5.241 1.00 0.36 H new ATOM 0 HB2 ASP A 23 -9.393 -5.890 -6.829 1.00 0.51 H new ATOM 0 HB3 ASP A 23 -8.141 -6.480 -7.905 1.00 0.51 H new ATOM 427 N LYS A 24 -5.591 -6.736 -6.543 1.00 0.31 N ATOM 428 CA LYS A 24 -4.231 -7.186 -6.798 1.00 0.30 C ATOM 429 C LYS A 24 -4.095 -7.661 -8.230 1.00 0.26 C ATOM 430 O LYS A 24 -3.157 -8.372 -8.586 1.00 0.41 O ATOM 431 CB LYS A 24 -3.907 -8.309 -5.828 1.00 0.39 C ATOM 432 CG LYS A 24 -4.290 -7.952 -4.413 1.00 1.14 C ATOM 433 CD LYS A 24 -4.733 -9.165 -3.621 1.00 1.02 C ATOM 434 CE LYS A 24 -6.199 -9.458 -3.882 1.00 0.86 C ATOM 435 NZ LYS A 24 -7.084 -8.451 -3.238 1.00 1.36 N ATOM 0 H LYS A 24 -6.195 -7.460 -6.154 1.00 0.31 H new ATOM 0 HA LYS A 24 -3.532 -6.363 -6.652 1.00 0.30 H new ATOM 0 HB2 LYS A 24 -4.434 -9.214 -6.130 1.00 0.39 H new ATOM 0 HB3 LYS A 24 -2.841 -8.531 -5.871 1.00 0.39 H new ATOM 0 HG2 LYS A 24 -3.441 -7.484 -3.915 1.00 1.14 H new ATOM 0 HG3 LYS A 24 -5.094 -7.217 -4.430 1.00 1.14 H new ATOM 0 HD2 LYS A 24 -4.128 -10.029 -3.897 1.00 1.02 H new ATOM 0 HD3 LYS A 24 -4.574 -8.991 -2.557 1.00 1.02 H new ATOM 0 HE2 LYS A 24 -6.382 -9.469 -4.956 1.00 0.86 H new ATOM 0 HE3 LYS A 24 -6.444 -10.451 -3.506 1.00 0.86 H new ATOM 0 HZ1 LYS A 24 -7.976 -8.383 -3.768 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -7.284 -8.740 -2.259 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -6.612 -7.525 -3.236 1.00 1.36 H new ATOM 449 N ASN A 25 -5.066 -7.274 -9.032 1.00 0.22 N ATOM 450 CA ASN A 25 -5.120 -7.662 -10.423 1.00 0.28 C ATOM 451 C ASN A 25 -5.055 -6.424 -11.297 1.00 0.26 C ATOM 452 O ASN A 25 -5.287 -6.477 -12.504 1.00 0.36 O ATOM 453 CB ASN A 25 -6.400 -8.454 -10.687 1.00 0.39 C ATOM 454 CG ASN A 25 -6.356 -9.836 -10.066 1.00 0.85 C ATOM 455 OD1 ASN A 25 -5.996 -10.814 -10.726 1.00 1.45 O ATOM 456 ND2 ASN A 25 -6.688 -9.928 -8.783 1.00 0.87 N ATOM 0 H ASN A 25 -5.841 -6.680 -8.735 1.00 0.22 H new ATOM 0 HA ASN A 25 -4.269 -8.299 -10.663 1.00 0.28 H new ATOM 0 HB2 ASN A 25 -7.253 -7.905 -10.289 1.00 0.39 H new ATOM 0 HB3 ASN A 25 -6.554 -8.545 -11.762 1.00 0.39 H new ATOM 0 HD21 ASN A 25 -6.650 -10.831 -8.310 1.00 0.87 H new ATOM 0 HD22 ASN A 25 -6.981 -9.096 -8.271 1.00 0.87 H new ATOM 463 N ALA A 26 -4.742 -5.301 -10.661 1.00 0.17 N ATOM 464 CA ALA A 26 -4.550 -4.048 -11.369 1.00 0.15 C ATOM 465 C ALA A 26 -3.162 -4.006 -11.977 1.00 0.16 C ATOM 466 O ALA A 26 -2.239 -4.668 -11.501 1.00 0.26 O ATOM 467 CB ALA A 26 -4.737 -2.863 -10.434 1.00 0.16 C ATOM 0 H ALA A 26 -4.616 -5.236 -9.651 1.00 0.17 H new ATOM 0 HA ALA A 26 -5.296 -3.985 -12.161 1.00 0.15 H new ATOM 0 HB1 ALA A 26 -4.588 -1.936 -10.987 1.00 0.16 H new ATOM 0 HB2 ALA A 26 -5.746 -2.881 -10.021 1.00 0.16 H new ATOM 0 HB3 ALA A 26 -4.012 -2.922 -9.623 1.00 0.16 H new ATOM 473 N THR A 27 -3.019 -3.214 -13.016 1.00 0.15 N ATOM 474 CA THR A 27 -1.746 -3.081 -13.693 1.00 0.18 C ATOM 475 C THR A 27 -1.152 -1.718 -13.383 1.00 0.12 C ATOM 476 O THR A 27 -1.784 -0.920 -12.685 1.00 0.11 O ATOM 477 CB THR A 27 -1.891 -3.274 -15.224 1.00 0.25 C ATOM 478 OG1 THR A 27 -0.604 -3.251 -15.856 1.00 0.32 O ATOM 479 CG2 THR A 27 -2.775 -2.192 -15.832 1.00 0.26 C ATOM 0 H THR A 27 -3.771 -2.650 -13.413 1.00 0.15 H new ATOM 0 HA THR A 27 -1.078 -3.863 -13.330 1.00 0.18 H new ATOM 0 HB THR A 27 -2.359 -4.244 -15.393 1.00 0.25 H new ATOM 0 HG1 THR A 27 -0.712 -3.376 -16.822 1.00 0.32 H new ATOM 0 HG21 THR A 27 -2.859 -2.352 -16.907 1.00 0.26 H new ATOM 0 HG22 THR A 27 -3.766 -2.235 -15.380 1.00 0.26 H new ATOM 0 HG23 THR A 27 -2.333 -1.213 -15.645 1.00 0.26 H new ATOM 487 N SER A 28 0.045 -1.453 -13.890 1.00 0.15 N ATOM 488 CA SER A 28 0.723 -0.189 -13.653 1.00 0.17 C ATOM 489 C SER A 28 -0.206 0.980 -13.944 1.00 0.15 C ATOM 490 O SER A 28 -0.236 1.965 -13.207 1.00 0.19 O ATOM 491 CB SER A 28 1.968 -0.105 -14.532 1.00 0.22 C ATOM 492 OG SER A 28 2.761 -1.272 -14.392 1.00 1.09 O ATOM 0 H SER A 28 0.569 -2.105 -14.473 1.00 0.15 H new ATOM 0 HA SER A 28 1.018 -0.137 -12.605 1.00 0.17 H new ATOM 0 HB2 SER A 28 1.675 0.019 -15.575 1.00 0.22 H new ATOM 0 HB3 SER A 28 2.553 0.773 -14.259 1.00 0.22 H new ATOM 0 HG SER A 28 3.275 -1.220 -13.559 1.00 1.09 H new ATOM 498 N ASP A 29 -0.988 0.831 -15.002 1.00 0.15 N ATOM 499 CA ASP A 29 -1.954 1.842 -15.399 1.00 0.21 C ATOM 500 C ASP A 29 -2.955 2.110 -14.284 1.00 0.18 C ATOM 501 O ASP A 29 -3.101 3.243 -13.845 1.00 0.26 O ATOM 502 CB ASP A 29 -2.697 1.420 -16.669 1.00 0.30 C ATOM 503 CG ASP A 29 -1.769 1.234 -17.850 1.00 1.19 C ATOM 504 OD1 ASP A 29 -1.262 0.109 -18.046 1.00 2.17 O ATOM 505 OD2 ASP A 29 -1.542 2.211 -18.590 1.00 1.20 O ATOM 0 H ASP A 29 -0.971 0.010 -15.607 1.00 0.15 H new ATOM 0 HA ASP A 29 -1.402 2.760 -15.602 1.00 0.21 H new ATOM 0 HB2 ASP A 29 -3.231 0.489 -16.481 1.00 0.30 H new ATOM 0 HB3 ASP A 29 -3.446 2.173 -16.915 1.00 0.30 H new ATOM 510 N ASP A 30 -3.610 1.061 -13.787 1.00 0.14 N ATOM 511 CA ASP A 30 -4.684 1.233 -12.820 1.00 0.19 C ATOM 512 C ASP A 30 -4.150 1.830 -11.535 1.00 0.12 C ATOM 513 O ASP A 30 -4.774 2.706 -10.938 1.00 0.12 O ATOM 514 CB ASP A 30 -5.366 -0.104 -12.528 1.00 0.31 C ATOM 515 CG ASP A 30 -6.462 -0.436 -13.519 1.00 1.08 C ATOM 516 OD1 ASP A 30 -7.590 0.079 -13.356 1.00 1.02 O ATOM 517 OD2 ASP A 30 -6.204 -1.217 -14.456 1.00 2.12 O ATOM 0 H ASP A 30 -3.415 0.092 -14.038 1.00 0.14 H new ATOM 0 HA ASP A 30 -5.419 1.915 -13.248 1.00 0.19 H new ATOM 0 HB2 ASP A 30 -4.619 -0.898 -12.541 1.00 0.31 H new ATOM 0 HB3 ASP A 30 -5.787 -0.079 -11.523 1.00 0.31 H new ATOM 522 N ILE A 31 -2.982 1.361 -11.131 1.00 0.09 N ATOM 523 CA ILE A 31 -2.360 1.793 -9.894 1.00 0.09 C ATOM 524 C ILE A 31 -1.915 3.257 -9.957 1.00 0.09 C ATOM 525 O ILE A 31 -2.211 4.044 -9.056 1.00 0.15 O ATOM 526 CB ILE A 31 -1.164 0.877 -9.569 1.00 0.11 C ATOM 527 CG1 ILE A 31 -1.660 -0.560 -9.402 1.00 0.12 C ATOM 528 CG2 ILE A 31 -0.447 1.345 -8.314 1.00 0.13 C ATOM 529 CD1 ILE A 31 -0.622 -1.603 -9.740 1.00 0.13 C ATOM 0 H ILE A 31 -2.440 0.671 -11.651 1.00 0.09 H new ATOM 0 HA ILE A 31 -3.102 1.719 -9.099 1.00 0.09 H new ATOM 0 HB ILE A 31 -0.450 0.919 -10.392 1.00 0.11 H new ATOM 0 HG12 ILE A 31 -1.986 -0.705 -8.372 1.00 0.12 H new ATOM 0 HG13 ILE A 31 -2.533 -0.710 -10.037 1.00 0.12 H new ATOM 0 HG21 ILE A 31 0.393 0.682 -8.106 1.00 0.13 H new ATOM 0 HG22 ILE A 31 -0.080 2.361 -8.462 1.00 0.13 H new ATOM 0 HG23 ILE A 31 -1.139 1.329 -7.472 1.00 0.13 H new ATOM 0 HD11 ILE A 31 -1.046 -2.597 -9.598 1.00 0.13 H new ATOM 0 HD12 ILE A 31 -0.313 -1.485 -10.779 1.00 0.13 H new ATOM 0 HD13 ILE A 31 0.243 -1.481 -9.088 1.00 0.13 H new ATOM 541 N LYS A 32 -1.231 3.627 -11.032 1.00 0.10 N ATOM 542 CA LYS A 32 -0.697 4.977 -11.160 1.00 0.15 C ATOM 543 C LYS A 32 -1.803 5.996 -11.430 1.00 0.15 C ATOM 544 O LYS A 32 -1.723 7.136 -10.972 1.00 0.19 O ATOM 545 CB LYS A 32 0.359 5.035 -12.264 1.00 0.25 C ATOM 546 CG LYS A 32 1.587 4.189 -11.975 1.00 0.39 C ATOM 547 CD LYS A 32 2.503 4.125 -13.184 1.00 0.92 C ATOM 548 CE LYS A 32 3.664 3.171 -12.962 1.00 0.77 C ATOM 549 NZ LYS A 32 4.642 3.692 -11.969 1.00 1.54 N ATOM 0 H LYS A 32 -1.034 3.015 -11.824 1.00 0.10 H new ATOM 0 HA LYS A 32 -0.229 5.236 -10.210 1.00 0.15 H new ATOM 0 HB2 LYS A 32 -0.088 4.703 -13.201 1.00 0.25 H new ATOM 0 HB3 LYS A 32 0.667 6.071 -12.407 1.00 0.25 H new ATOM 0 HG2 LYS A 32 2.129 4.606 -11.126 1.00 0.39 H new ATOM 0 HG3 LYS A 32 1.280 3.182 -11.693 1.00 0.39 H new ATOM 0 HD2 LYS A 32 1.932 3.806 -14.056 1.00 0.92 H new ATOM 0 HD3 LYS A 32 2.888 5.121 -13.402 1.00 0.92 H new ATOM 0 HE2 LYS A 32 3.281 2.209 -12.621 1.00 0.77 H new ATOM 0 HE3 LYS A 32 4.172 2.994 -13.910 1.00 0.77 H new ATOM 0 HZ1 LYS A 32 5.416 3.007 -11.851 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 5.029 4.597 -12.305 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 4.166 3.837 -11.056 1.00 1.54 H new ATOM 563 N LYS A 33 -2.822 5.601 -12.187 1.00 0.15 N ATOM 564 CA LYS A 33 -3.967 6.470 -12.417 1.00 0.19 C ATOM 565 C LYS A 33 -4.753 6.694 -11.133 1.00 0.16 C ATOM 566 O LYS A 33 -5.037 7.833 -10.779 1.00 0.20 O ATOM 567 CB LYS A 33 -4.878 5.891 -13.491 1.00 0.24 C ATOM 568 CG LYS A 33 -4.183 5.710 -14.825 1.00 0.30 C ATOM 569 CD LYS A 33 -5.174 5.421 -15.938 1.00 0.43 C ATOM 570 CE LYS A 33 -5.939 4.133 -15.679 1.00 0.63 C ATOM 571 NZ LYS A 33 -7.029 3.923 -16.665 1.00 1.21 N ATOM 0 H LYS A 33 -2.877 4.692 -12.647 1.00 0.15 H new ATOM 0 HA LYS A 33 -3.587 7.432 -12.760 1.00 0.19 H new ATOM 0 HB2 LYS A 33 -5.261 4.928 -13.154 1.00 0.24 H new ATOM 0 HB3 LYS A 33 -5.738 6.548 -13.622 1.00 0.24 H new ATOM 0 HG2 LYS A 33 -3.617 6.610 -15.066 1.00 0.30 H new ATOM 0 HG3 LYS A 33 -3.466 4.892 -14.754 1.00 0.30 H new ATOM 0 HD2 LYS A 33 -5.875 6.251 -16.027 1.00 0.43 H new ATOM 0 HD3 LYS A 33 -4.645 5.347 -16.888 1.00 0.43 H new ATOM 0 HE2 LYS A 33 -5.250 3.289 -15.716 1.00 0.63 H new ATOM 0 HE3 LYS A 33 -6.360 4.158 -14.674 1.00 0.63 H new ATOM 0 HZ1 LYS A 33 -7.524 3.034 -16.451 1.00 1.21 H new ATOM 0 HZ2 LYS A 33 -7.701 4.715 -16.613 1.00 1.21 H new ATOM 0 HZ3 LYS A 33 -6.626 3.873 -17.622 1.00 1.21 H new ATOM 585 N SER A 34 -5.090 5.607 -10.432 1.00 0.15 N ATOM 586 CA SER A 34 -5.829 5.698 -9.176 1.00 0.16 C ATOM 587 C SER A 34 -5.106 6.592 -8.188 1.00 0.13 C ATOM 588 O SER A 34 -5.737 7.285 -7.389 1.00 0.15 O ATOM 589 CB SER A 34 -6.055 4.310 -8.579 1.00 0.20 C ATOM 590 OG SER A 34 -6.866 3.522 -9.434 1.00 1.00 O ATOM 0 H SER A 34 -4.861 4.655 -10.716 1.00 0.15 H new ATOM 0 HA SER A 34 -6.802 6.142 -9.388 1.00 0.16 H new ATOM 0 HB2 SER A 34 -5.096 3.816 -8.422 1.00 0.20 H new ATOM 0 HB3 SER A 34 -6.530 4.402 -7.602 1.00 0.20 H new ATOM 0 HG SER A 34 -6.325 3.184 -10.178 1.00 1.00 H new ATOM 596 N TYR A 35 -3.784 6.574 -8.260 1.00 0.12 N ATOM 597 CA TYR A 35 -2.964 7.484 -7.487 1.00 0.11 C ATOM 598 C TYR A 35 -3.418 8.917 -7.706 1.00 0.10 C ATOM 599 O TYR A 35 -3.692 9.632 -6.756 1.00 0.14 O ATOM 600 CB TYR A 35 -1.497 7.320 -7.882 1.00 0.13 C ATOM 601 CG TYR A 35 -0.580 8.417 -7.369 1.00 0.15 C ATOM 602 CD1 TYR A 35 -0.542 8.759 -6.021 1.00 0.13 C ATOM 603 CD2 TYR A 35 0.258 9.101 -8.238 1.00 0.24 C ATOM 604 CE1 TYR A 35 0.301 9.749 -5.558 1.00 0.15 C ATOM 605 CE2 TYR A 35 1.103 10.094 -7.780 1.00 0.28 C ATOM 606 CZ TYR A 35 1.121 10.415 -6.440 1.00 0.24 C ATOM 607 OH TYR A 35 1.966 11.399 -5.979 1.00 0.28 O ATOM 0 H TYR A 35 -3.256 5.933 -8.852 1.00 0.12 H new ATOM 0 HA TYR A 35 -3.071 7.249 -6.428 1.00 0.11 H new ATOM 0 HB2 TYR A 35 -1.139 6.360 -7.509 1.00 0.13 H new ATOM 0 HB3 TYR A 35 -1.428 7.285 -8.969 1.00 0.13 H new ATOM 0 HD1 TYR A 35 -1.184 8.240 -5.324 1.00 0.13 H new ATOM 0 HD2 TYR A 35 0.250 8.853 -9.289 1.00 0.24 H new ATOM 0 HE1 TYR A 35 0.317 10.000 -4.508 1.00 0.15 H new ATOM 0 HE2 TYR A 35 1.748 10.617 -8.471 1.00 0.28 H new ATOM 0 HH TYR A 35 2.397 11.099 -5.152 1.00 0.28 H new ATOM 617 N ARG A 36 -3.535 9.308 -8.965 1.00 0.11 N ATOM 618 CA ARG A 36 -3.913 10.667 -9.319 1.00 0.12 C ATOM 619 C ARG A 36 -5.314 11.002 -8.806 1.00 0.11 C ATOM 620 O ARG A 36 -5.479 11.927 -8.021 1.00 0.12 O ATOM 621 CB ARG A 36 -3.847 10.852 -10.836 1.00 0.17 C ATOM 622 CG ARG A 36 -2.490 10.501 -11.429 1.00 0.20 C ATOM 623 CD ARG A 36 -1.399 11.433 -10.925 1.00 0.25 C ATOM 624 NE ARG A 36 -0.077 11.045 -11.417 1.00 1.13 N ATOM 625 CZ ARG A 36 1.068 11.582 -10.994 1.00 1.43 C ATOM 626 NH1 ARG A 36 1.058 12.572 -10.105 1.00 0.87 N ATOM 627 NH2 ARG A 36 2.222 11.142 -11.478 1.00 2.42 N ATOM 0 H ARG A 36 -3.372 8.697 -9.765 1.00 0.11 H new ATOM 0 HA ARG A 36 -3.208 11.350 -8.845 1.00 0.12 H new ATOM 0 HB2 ARG A 36 -4.611 10.231 -11.304 1.00 0.17 H new ATOM 0 HB3 ARG A 36 -4.085 11.888 -11.079 1.00 0.17 H new ATOM 0 HG2 ARG A 36 -2.236 9.472 -11.174 1.00 0.20 H new ATOM 0 HG3 ARG A 36 -2.542 10.556 -12.516 1.00 0.20 H new ATOM 0 HD2 ARG A 36 -1.619 12.453 -11.241 1.00 0.25 H new ATOM 0 HD3 ARG A 36 -1.395 11.431 -9.835 1.00 0.25 H new ATOM 0 HE ARG A 36 -0.028 10.317 -12.130 1.00 1.13 H new ATOM 0 HH11 ARG A 36 0.171 12.924 -9.744 1.00 0.87 H new ATOM 0 HH12 ARG A 36 1.937 12.979 -9.785 1.00 0.87 H new ATOM 0 HH21 ARG A 36 2.232 10.395 -12.172 1.00 2.42 H new ATOM 0 HH22 ARG A 36 3.099 11.551 -11.156 1.00 2.42 H new ATOM 641 N LYS A 37 -6.304 10.217 -9.230 1.00 0.12 N ATOM 642 CA LYS A 37 -7.717 10.460 -8.888 1.00 0.15 C ATOM 643 C LYS A 37 -7.924 10.690 -7.390 1.00 0.12 C ATOM 644 O LYS A 37 -8.789 11.465 -6.985 1.00 0.14 O ATOM 645 CB LYS A 37 -8.582 9.278 -9.335 1.00 0.20 C ATOM 646 CG LYS A 37 -7.850 8.341 -10.251 1.00 0.38 C ATOM 647 CD LYS A 37 -8.647 7.107 -10.596 1.00 0.25 C ATOM 648 CE LYS A 37 -9.244 6.434 -9.365 1.00 0.39 C ATOM 649 NZ LYS A 37 -9.939 5.165 -9.707 1.00 1.01 N ATOM 0 H LYS A 37 -6.157 9.397 -9.818 1.00 0.12 H new ATOM 0 HA LYS A 37 -8.015 11.367 -9.413 1.00 0.15 H new ATOM 0 HB2 LYS A 37 -8.923 8.729 -8.457 1.00 0.20 H new ATOM 0 HB3 LYS A 37 -9.471 9.654 -9.841 1.00 0.20 H new ATOM 0 HG2 LYS A 37 -7.592 8.868 -11.170 1.00 0.38 H new ATOM 0 HG3 LYS A 37 -6.913 8.042 -9.781 1.00 0.38 H new ATOM 0 HD2 LYS A 37 -9.449 7.377 -11.283 1.00 0.25 H new ATOM 0 HD3 LYS A 37 -8.005 6.398 -11.118 1.00 0.25 H new ATOM 0 HE2 LYS A 37 -8.453 6.231 -8.643 1.00 0.39 H new ATOM 0 HE3 LYS A 37 -9.947 7.115 -8.885 1.00 0.39 H new ATOM 0 HZ1 LYS A 37 -10.330 4.740 -8.842 1.00 1.01 H new ATOM 0 HZ2 LYS A 37 -10.711 5.361 -10.376 1.00 1.01 H new ATOM 0 HZ3 LYS A 37 -9.263 4.505 -10.142 1.00 1.01 H new ATOM 663 N LEU A 38 -7.147 9.999 -6.573 1.00 0.09 N ATOM 664 CA LEU A 38 -7.259 10.119 -5.130 1.00 0.08 C ATOM 665 C LEU A 38 -6.316 11.195 -4.588 1.00 0.08 C ATOM 666 O LEU A 38 -6.612 11.849 -3.591 1.00 0.10 O ATOM 667 CB LEU A 38 -6.948 8.771 -4.506 1.00 0.09 C ATOM 668 CG LEU A 38 -7.972 7.678 -4.818 1.00 0.15 C ATOM 669 CD1 LEU A 38 -7.399 6.314 -4.506 1.00 0.16 C ATOM 670 CD2 LEU A 38 -9.256 7.902 -4.035 1.00 0.20 C ATOM 0 H LEU A 38 -6.429 9.346 -6.887 1.00 0.09 H new ATOM 0 HA LEU A 38 -8.274 10.421 -4.872 1.00 0.08 H new ATOM 0 HB2 LEU A 38 -5.968 8.442 -4.851 1.00 0.09 H new ATOM 0 HB3 LEU A 38 -6.882 8.892 -3.425 1.00 0.09 H new ATOM 0 HG LEU A 38 -8.206 7.724 -5.882 1.00 0.15 H new ATOM 0 HD11 LEU A 38 -8.140 5.547 -4.733 1.00 0.16 H new ATOM 0 HD12 LEU A 38 -6.507 6.147 -5.110 1.00 0.16 H new ATOM 0 HD13 LEU A 38 -7.136 6.263 -3.449 1.00 0.16 H new ATOM 0 HD21 LEU A 38 -9.969 7.113 -4.273 1.00 0.20 H new ATOM 0 HD22 LEU A 38 -9.039 7.885 -2.967 1.00 0.20 H new ATOM 0 HD23 LEU A 38 -9.682 8.869 -4.303 1.00 0.20 H new ATOM 682 N ALA A 39 -5.181 11.356 -5.254 1.00 0.08 N ATOM 683 CA ALA A 39 -4.146 12.311 -4.846 1.00 0.10 C ATOM 684 C ALA A 39 -4.675 13.731 -4.698 1.00 0.12 C ATOM 685 O ALA A 39 -4.475 14.356 -3.665 1.00 0.15 O ATOM 686 CB ALA A 39 -2.988 12.301 -5.830 1.00 0.12 C ATOM 0 H ALA A 39 -4.946 10.829 -6.095 1.00 0.08 H new ATOM 0 HA ALA A 39 -3.801 11.986 -3.865 1.00 0.10 H new ATOM 0 HB1 ALA A 39 -2.231 13.017 -5.509 1.00 0.12 H new ATOM 0 HB2 ALA A 39 -2.551 11.303 -5.868 1.00 0.12 H new ATOM 0 HB3 ALA A 39 -3.350 12.576 -6.821 1.00 0.12 H new ATOM 692 N LEU A 40 -5.336 14.255 -5.725 1.00 0.12 N ATOM 693 CA LEU A 40 -5.855 15.625 -5.641 1.00 0.15 C ATOM 694 C LEU A 40 -7.019 15.685 -4.664 1.00 0.15 C ATOM 695 O LEU A 40 -7.183 16.654 -3.930 1.00 0.19 O ATOM 696 CB LEU A 40 -6.251 16.250 -7.004 1.00 0.18 C ATOM 697 CG LEU A 40 -6.726 15.337 -8.152 1.00 0.18 C ATOM 698 CD1 LEU A 40 -5.545 14.674 -8.839 1.00 0.18 C ATOM 699 CD2 LEU A 40 -7.732 14.296 -7.691 1.00 0.16 C ATOM 0 H LEU A 40 -5.524 13.772 -6.604 1.00 0.12 H new ATOM 0 HA LEU A 40 -5.028 16.234 -5.277 1.00 0.15 H new ATOM 0 HB2 LEU A 40 -7.044 16.973 -6.813 1.00 0.18 H new ATOM 0 HB3 LEU A 40 -5.390 16.810 -7.368 1.00 0.18 H new ATOM 0 HG LEU A 40 -7.238 15.977 -8.871 1.00 0.18 H new ATOM 0 HD11 LEU A 40 -5.905 14.035 -9.645 1.00 0.18 H new ATOM 0 HD12 LEU A 40 -4.886 15.439 -9.249 1.00 0.18 H new ATOM 0 HD13 LEU A 40 -4.995 14.071 -8.116 1.00 0.18 H new ATOM 0 HD21 LEU A 40 -8.033 13.680 -8.539 1.00 0.16 H new ATOM 0 HD22 LEU A 40 -7.278 13.665 -6.927 1.00 0.16 H new ATOM 0 HD23 LEU A 40 -8.608 14.795 -7.276 1.00 0.16 H new ATOM 711 N LYS A 41 -7.800 14.624 -4.668 1.00 0.14 N ATOM 712 CA LYS A 41 -8.884 14.410 -3.717 1.00 0.16 C ATOM 713 C LYS A 41 -8.397 14.524 -2.268 1.00 0.17 C ATOM 714 O LYS A 41 -9.141 14.953 -1.386 1.00 0.23 O ATOM 715 CB LYS A 41 -9.464 13.025 -3.987 1.00 0.18 C ATOM 716 CG LYS A 41 -10.439 12.513 -2.948 1.00 0.24 C ATOM 717 CD LYS A 41 -10.730 11.049 -3.205 1.00 0.34 C ATOM 718 CE LYS A 41 -11.757 10.497 -2.246 1.00 0.41 C ATOM 719 NZ LYS A 41 -13.084 11.144 -2.410 1.00 1.22 N ATOM 0 H LYS A 41 -7.701 13.867 -5.345 1.00 0.14 H new ATOM 0 HA LYS A 41 -9.646 15.178 -3.847 1.00 0.16 H new ATOM 0 HB2 LYS A 41 -9.967 13.043 -4.954 1.00 0.18 H new ATOM 0 HB3 LYS A 41 -8.641 12.315 -4.069 1.00 0.18 H new ATOM 0 HG2 LYS A 41 -10.023 12.642 -1.949 1.00 0.24 H new ATOM 0 HG3 LYS A 41 -11.363 13.090 -2.985 1.00 0.24 H new ATOM 0 HD2 LYS A 41 -11.086 10.925 -4.228 1.00 0.34 H new ATOM 0 HD3 LYS A 41 -9.807 10.476 -3.117 1.00 0.34 H new ATOM 0 HE2 LYS A 41 -11.857 9.423 -2.402 1.00 0.41 H new ATOM 0 HE3 LYS A 41 -11.409 10.639 -1.223 1.00 0.41 H new ATOM 0 HZ1 LYS A 41 -13.804 10.595 -1.898 1.00 1.22 H new ATOM 0 HZ2 LYS A 41 -13.049 12.110 -2.027 1.00 1.22 H new ATOM 0 HZ3 LYS A 41 -13.330 11.181 -3.420 1.00 1.22 H new ATOM 733 N TYR A 42 -7.154 14.138 -2.023 1.00 0.16 N ATOM 734 CA TYR A 42 -6.567 14.256 -0.694 1.00 0.18 C ATOM 735 C TYR A 42 -5.315 15.130 -0.718 1.00 0.21 C ATOM 736 O TYR A 42 -4.417 14.960 0.108 1.00 0.24 O ATOM 737 CB TYR A 42 -6.224 12.873 -0.138 1.00 0.19 C ATOM 738 CG TYR A 42 -7.430 12.046 0.249 1.00 0.21 C ATOM 739 CD1 TYR A 42 -8.155 12.327 1.402 1.00 0.29 C ATOM 740 CD2 TYR A 42 -7.853 10.995 -0.550 1.00 0.25 C ATOM 741 CE1 TYR A 42 -9.266 11.577 1.743 1.00 0.36 C ATOM 742 CE2 TYR A 42 -8.961 10.244 -0.216 1.00 0.33 C ATOM 743 CZ TYR A 42 -9.629 10.519 0.993 1.00 0.37 C ATOM 744 OH TYR A 42 -10.767 9.792 1.264 1.00 0.46 O ATOM 0 H TYR A 42 -6.531 13.740 -2.726 1.00 0.16 H new ATOM 0 HA TYR A 42 -7.304 14.730 -0.046 1.00 0.18 H new ATOM 0 HB2 TYR A 42 -5.646 12.327 -0.884 1.00 0.19 H new ATOM 0 HB3 TYR A 42 -5.584 12.993 0.736 1.00 0.19 H new ATOM 0 HD1 TYR A 42 -7.846 13.142 2.040 1.00 0.29 H new ATOM 0 HD2 TYR A 42 -7.305 10.760 -1.450 1.00 0.25 H new ATOM 0 HE1 TYR A 42 -9.845 11.841 2.615 1.00 0.36 H new ATOM 0 HE2 TYR A 42 -9.310 9.459 -0.870 1.00 0.33 H new ATOM 0 HH TYR A 42 -10.857 9.069 0.609 1.00 0.46 H new ATOM 754 N HIS A 43 -5.265 16.079 -1.650 1.00 0.21 N ATOM 755 CA HIS A 43 -4.092 16.926 -1.819 1.00 0.26 C ATOM 756 C HIS A 43 -3.911 17.798 -0.580 1.00 0.33 C ATOM 757 O HIS A 43 -4.891 18.233 -0.009 1.00 0.38 O ATOM 758 CB HIS A 43 -4.259 17.794 -3.067 1.00 0.27 C ATOM 759 CG HIS A 43 -2.971 18.162 -3.736 1.00 0.34 C ATOM 760 ND1 HIS A 43 -2.495 19.451 -3.799 1.00 0.45 N ATOM 761 CD2 HIS A 43 -2.057 17.394 -4.378 1.00 0.37 C ATOM 762 CE1 HIS A 43 -1.346 19.464 -4.449 1.00 0.52 C ATOM 763 NE2 HIS A 43 -1.055 18.229 -4.810 1.00 0.48 N ATOM 0 H HIS A 43 -6.026 16.279 -2.299 1.00 0.21 H new ATOM 0 HA HIS A 43 -3.205 16.305 -1.944 1.00 0.26 H new ATOM 0 HB2 HIS A 43 -4.889 17.265 -3.782 1.00 0.27 H new ATOM 0 HB3 HIS A 43 -4.787 18.707 -2.793 1.00 0.27 H new ATOM 0 HD2 HIS A 43 -2.107 16.325 -4.523 1.00 0.37 H new ATOM 0 HE1 HIS A 43 -0.745 20.339 -4.651 1.00 0.52 H new ATOM 0 HE2 HIS A 43 -0.223 17.941 -5.325 1.00 0.48 H new ATOM 772 N PRO A 44 -2.663 18.064 -0.165 1.00 0.38 N ATOM 773 CA PRO A 44 -2.323 18.764 1.081 1.00 0.46 C ATOM 774 C PRO A 44 -3.284 19.889 1.491 1.00 0.48 C ATOM 775 O PRO A 44 -3.671 19.978 2.654 1.00 0.55 O ATOM 776 CB PRO A 44 -0.926 19.336 0.794 1.00 0.56 C ATOM 777 CG PRO A 44 -0.553 18.864 -0.573 1.00 0.50 C ATOM 778 CD PRO A 44 -1.447 17.704 -0.875 1.00 0.40 C ATOM 0 HA PRO A 44 -2.380 18.075 1.923 1.00 0.46 H new ATOM 0 HB2 PRO A 44 -0.935 20.425 0.841 1.00 0.56 H new ATOM 0 HB3 PRO A 44 -0.205 18.991 1.535 1.00 0.56 H new ATOM 0 HG2 PRO A 44 -0.685 19.658 -1.308 1.00 0.50 H new ATOM 0 HG3 PRO A 44 0.495 18.567 -0.609 1.00 0.50 H new ATOM 0 HD2 PRO A 44 -1.619 17.589 -1.945 1.00 0.40 H new ATOM 0 HD3 PRO A 44 -1.029 16.763 -0.517 1.00 0.40 H new ATOM 786 N ASP A 45 -3.684 20.741 0.555 1.00 0.47 N ATOM 787 CA ASP A 45 -4.510 21.895 0.911 1.00 0.51 C ATOM 788 C ASP A 45 -5.986 21.523 1.044 1.00 0.53 C ATOM 789 O ASP A 45 -6.808 22.317 1.505 1.00 0.61 O ATOM 790 CB ASP A 45 -4.328 23.024 -0.103 1.00 0.59 C ATOM 791 CG ASP A 45 -4.916 24.339 0.379 1.00 1.24 C ATOM 792 OD1 ASP A 45 -4.313 24.974 1.271 1.00 1.34 O ATOM 793 OD2 ASP A 45 -5.981 24.750 -0.135 1.00 1.87 O ATOM 0 H ASP A 45 -3.458 20.661 -0.436 1.00 0.47 H new ATOM 0 HA ASP A 45 -4.174 22.245 1.887 1.00 0.51 H new ATOM 0 HB2 ASP A 45 -3.265 23.158 -0.306 1.00 0.59 H new ATOM 0 HB3 ASP A 45 -4.800 22.742 -1.044 1.00 0.59 H new ATOM 798 N LYS A 46 -6.314 20.301 0.665 1.00 0.51 N ATOM 799 CA LYS A 46 -7.646 19.754 0.874 1.00 0.61 C ATOM 800 C LYS A 46 -7.804 19.353 2.335 1.00 0.68 C ATOM 801 O LYS A 46 -8.892 19.004 2.789 1.00 0.86 O ATOM 802 CB LYS A 46 -7.831 18.512 0.008 1.00 0.58 C ATOM 803 CG LYS A 46 -7.469 18.716 -1.454 1.00 0.58 C ATOM 804 CD LYS A 46 -8.676 18.925 -2.350 1.00 0.57 C ATOM 805 CE LYS A 46 -9.597 17.716 -2.355 1.00 0.82 C ATOM 806 NZ LYS A 46 -10.889 17.978 -1.667 1.00 1.57 N ATOM 0 H LYS A 46 -5.668 19.660 0.205 1.00 0.51 H new ATOM 0 HA LYS A 46 -8.387 20.507 0.608 1.00 0.61 H new ATOM 0 HB2 LYS A 46 -7.220 17.705 0.413 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -8.870 18.189 0.072 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.808 19.579 -1.540 1.00 0.58 H new ATOM 0 HG3 LYS A 46 -6.910 17.849 -1.807 1.00 0.58 H new ATOM 0 HD2 LYS A 46 -9.230 19.801 -2.014 1.00 0.57 H new ATOM 0 HD3 LYS A 46 -8.342 19.130 -3.367 1.00 0.57 H new ATOM 0 HE2 LYS A 46 -9.792 17.417 -3.385 1.00 0.82 H new ATOM 0 HE3 LYS A 46 -9.095 16.879 -1.870 1.00 0.82 H new ATOM 0 HZ1 LYS A 46 -11.254 17.091 -1.264 1.00 1.57 H new ATOM 0 HZ2 LYS A 46 -10.742 18.670 -0.905 1.00 1.57 H new ATOM 0 HZ3 LYS A 46 -11.576 18.356 -2.350 1.00 1.57 H new ATOM 820 N ASN A 47 -6.698 19.405 3.059 1.00 0.63 N ATOM 821 CA ASN A 47 -6.631 18.836 4.392 1.00 0.73 C ATOM 822 C ASN A 47 -6.854 19.904 5.437 1.00 0.69 C ATOM 823 O ASN A 47 -6.152 20.917 5.467 1.00 0.75 O ATOM 824 CB ASN A 47 -5.272 18.179 4.649 1.00 0.86 C ATOM 825 CG ASN A 47 -4.905 17.092 3.654 1.00 0.96 C ATOM 826 OD1 ASN A 47 -5.262 17.276 2.400 1.00 1.49 O flip ATOM 827 ND2 ASN A 47 -4.258 16.112 4.011 1.00 0.63 N flip ATOM 0 H ASN A 47 -5.831 19.838 2.742 1.00 0.63 H new ATOM 0 HA ASN A 47 -7.414 18.080 4.459 1.00 0.73 H new ATOM 0 HB2 ASN A 47 -4.500 18.948 4.630 1.00 0.86 H new ATOM 0 HB3 ASN A 47 -5.272 17.752 5.652 1.00 0.86 H new ATOM 0 HD21 ASN A 47 -3.999 16.002 4.991 1.00 0.63 H new ATOM 0 HD22 ASN A 47 -3.980 15.408 3.327 1.00 0.63 H new ATOM 834 N PRO A 48 -7.859 19.707 6.286 1.00 0.69 N ATOM 835 CA PRO A 48 -8.087 20.546 7.450 1.00 0.76 C ATOM 836 C PRO A 48 -7.112 20.240 8.566 1.00 0.80 C ATOM 837 O PRO A 48 -5.986 19.791 8.336 1.00 0.83 O ATOM 838 CB PRO A 48 -9.517 20.190 7.892 1.00 0.81 C ATOM 839 CG PRO A 48 -10.072 19.332 6.805 1.00 0.86 C ATOM 840 CD PRO A 48 -8.889 18.674 6.162 1.00 0.74 C ATOM 0 HA PRO A 48 -7.953 21.602 7.216 1.00 0.76 H new ATOM 0 HB2 PRO A 48 -9.512 19.661 8.845 1.00 0.81 H new ATOM 0 HB3 PRO A 48 -10.120 21.088 8.029 1.00 0.81 H new ATOM 0 HG2 PRO A 48 -10.762 18.590 7.206 1.00 0.86 H new ATOM 0 HG3 PRO A 48 -10.629 19.928 6.082 1.00 0.86 H new ATOM 0 HD2 PRO A 48 -8.607 17.754 6.673 1.00 0.74 H new ATOM 0 HD3 PRO A 48 -9.083 18.414 5.121 1.00 0.74 H new ATOM 848 N ASP A 49 -7.556 20.493 9.770 1.00 0.89 N ATOM 849 CA ASP A 49 -6.757 20.273 10.952 1.00 1.01 C ATOM 850 C ASP A 49 -6.465 18.788 11.146 1.00 0.93 C ATOM 851 O ASP A 49 -5.402 18.411 11.637 1.00 0.99 O ATOM 852 CB ASP A 49 -7.516 20.832 12.137 1.00 1.20 C ATOM 853 CG ASP A 49 -6.669 20.929 13.387 1.00 1.71 C ATOM 854 OD1 ASP A 49 -5.970 21.950 13.559 1.00 2.28 O ATOM 855 OD2 ASP A 49 -6.715 19.991 14.213 1.00 1.72 O ATOM 0 H ASP A 49 -8.488 20.860 9.961 1.00 0.89 H new ATOM 0 HA ASP A 49 -5.795 20.776 10.851 1.00 1.01 H new ATOM 0 HB2 ASP A 49 -7.896 21.822 11.884 1.00 1.20 H new ATOM 0 HB3 ASP A 49 -8.381 20.200 12.339 1.00 1.20 H new ATOM 860 N ASN A 50 -7.412 17.953 10.740 1.00 0.84 N ATOM 861 CA ASN A 50 -7.261 16.508 10.848 1.00 0.78 C ATOM 862 C ASN A 50 -6.318 15.967 9.771 1.00 0.68 C ATOM 863 O ASN A 50 -6.558 16.137 8.576 1.00 0.72 O ATOM 864 CB ASN A 50 -8.630 15.816 10.759 1.00 0.80 C ATOM 865 CG ASN A 50 -9.473 16.292 9.588 1.00 0.81 C ATOM 866 OD1 ASN A 50 -10.181 17.297 9.684 1.00 1.25 O ATOM 867 ND2 ASN A 50 -9.428 15.562 8.488 1.00 0.71 N ATOM 0 H ASN A 50 -8.297 18.253 10.331 1.00 0.84 H new ATOM 0 HA ASN A 50 -6.821 16.289 11.821 1.00 0.78 H new ATOM 0 HB2 ASN A 50 -8.480 14.740 10.675 1.00 0.80 H new ATOM 0 HB3 ASN A 50 -9.177 15.990 11.685 1.00 0.80 H new ATOM 0 HD21 ASN A 50 -9.992 15.823 7.679 1.00 0.71 H new ATOM 0 HD22 ASN A 50 -8.829 14.737 8.447 1.00 0.71 H new ATOM 874 N PRO A 51 -5.230 15.294 10.188 1.00 0.60 N ATOM 875 CA PRO A 51 -4.249 14.707 9.269 1.00 0.54 C ATOM 876 C PRO A 51 -4.730 13.382 8.679 1.00 0.47 C ATOM 877 O PRO A 51 -3.943 12.592 8.158 1.00 0.42 O ATOM 878 CB PRO A 51 -3.032 14.486 10.163 1.00 0.55 C ATOM 879 CG PRO A 51 -3.606 14.235 11.514 1.00 0.57 C ATOM 880 CD PRO A 51 -4.863 15.061 11.599 1.00 0.61 C ATOM 0 HA PRO A 51 -4.055 15.345 8.407 1.00 0.54 H new ATOM 0 HB2 PRO A 51 -2.436 13.640 9.821 1.00 0.55 H new ATOM 0 HB3 PRO A 51 -2.377 15.357 10.165 1.00 0.55 H new ATOM 0 HG2 PRO A 51 -3.826 13.176 11.652 1.00 0.57 H new ATOM 0 HG3 PRO A 51 -2.901 14.519 12.295 1.00 0.57 H new ATOM 0 HD2 PRO A 51 -5.652 14.534 12.135 1.00 0.61 H new ATOM 0 HD3 PRO A 51 -4.690 15.999 12.127 1.00 0.61 H new ATOM 888 N GLU A 52 -6.037 13.164 8.756 1.00 0.51 N ATOM 889 CA GLU A 52 -6.667 11.963 8.233 1.00 0.50 C ATOM 890 C GLU A 52 -6.439 11.880 6.739 1.00 0.40 C ATOM 891 O GLU A 52 -6.053 10.846 6.195 1.00 0.36 O ATOM 892 CB GLU A 52 -8.166 12.025 8.510 1.00 0.63 C ATOM 893 CG GLU A 52 -8.934 10.812 8.022 1.00 0.67 C ATOM 894 CD GLU A 52 -10.399 10.870 8.391 1.00 0.82 C ATOM 895 OE1 GLU A 52 -10.743 10.495 9.531 1.00 0.97 O ATOM 896 OE2 GLU A 52 -11.212 11.300 7.550 1.00 0.99 O ATOM 0 H GLU A 52 -6.690 13.819 9.185 1.00 0.51 H new ATOM 0 HA GLU A 52 -6.236 11.085 8.715 1.00 0.50 H new ATOM 0 HB2 GLU A 52 -8.323 12.134 9.583 1.00 0.63 H new ATOM 0 HB3 GLU A 52 -8.576 12.917 8.036 1.00 0.63 H new ATOM 0 HG2 GLU A 52 -8.838 10.736 6.939 1.00 0.67 H new ATOM 0 HG3 GLU A 52 -8.491 9.911 8.445 1.00 0.67 H new ATOM 903 N ALA A 53 -6.666 13.008 6.096 1.00 0.41 N ATOM 904 CA ALA A 53 -6.522 13.129 4.665 1.00 0.34 C ATOM 905 C ALA A 53 -5.054 13.055 4.262 1.00 0.28 C ATOM 906 O ALA A 53 -4.722 12.633 3.157 1.00 0.24 O ATOM 907 CB ALA A 53 -7.152 14.434 4.226 1.00 0.41 C ATOM 0 H ALA A 53 -6.957 13.870 6.557 1.00 0.41 H new ATOM 0 HA ALA A 53 -7.029 12.302 4.169 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -7.052 14.541 3.146 1.00 0.41 H new ATOM 0 HB2 ALA A 53 -8.208 14.436 4.494 1.00 0.41 H new ATOM 0 HB3 ALA A 53 -6.650 15.265 4.721 1.00 0.41 H new ATOM 913 N ALA A 54 -4.184 13.447 5.183 1.00 0.30 N ATOM 914 CA ALA A 54 -2.748 13.385 4.965 1.00 0.29 C ATOM 915 C ALA A 54 -2.272 11.941 5.003 1.00 0.23 C ATOM 916 O ALA A 54 -1.422 11.540 4.211 1.00 0.22 O ATOM 917 CB ALA A 54 -2.024 14.214 6.015 1.00 0.36 C ATOM 0 H ALA A 54 -4.453 13.814 6.096 1.00 0.30 H new ATOM 0 HA ALA A 54 -2.522 13.796 3.981 1.00 0.29 H new ATOM 0 HB1 ALA A 54 -0.949 14.161 5.843 1.00 0.36 H new ATOM 0 HB2 ALA A 54 -2.351 15.252 5.949 1.00 0.36 H new ATOM 0 HB3 ALA A 54 -2.252 13.824 7.007 1.00 0.36 H new ATOM 923 N ASP A 55 -2.825 11.168 5.931 1.00 0.24 N ATOM 924 CA ASP A 55 -2.539 9.739 6.019 1.00 0.22 C ATOM 925 C ASP A 55 -3.017 9.055 4.761 1.00 0.17 C ATOM 926 O ASP A 55 -2.326 8.230 4.169 1.00 0.19 O ATOM 927 CB ASP A 55 -3.265 9.122 7.200 1.00 0.29 C ATOM 928 CG ASP A 55 -2.425 8.076 7.904 1.00 0.69 C ATOM 929 OD1 ASP A 55 -2.479 6.890 7.507 1.00 1.16 O ATOM 930 OD2 ASP A 55 -1.700 8.434 8.855 1.00 1.03 O ATOM 0 H ASP A 55 -3.478 11.509 6.637 1.00 0.24 H new ATOM 0 HA ASP A 55 -1.464 9.610 6.144 1.00 0.22 H new ATOM 0 HB2 ASP A 55 -3.535 9.905 7.908 1.00 0.29 H new ATOM 0 HB3 ASP A 55 -4.195 8.668 6.856 1.00 0.29 H new ATOM 935 N LYS A 56 -4.230 9.411 4.384 1.00 0.16 N ATOM 936 CA LYS A 56 -4.829 8.965 3.146 1.00 0.14 C ATOM 937 C LYS A 56 -3.928 9.271 1.967 1.00 0.12 C ATOM 938 O LYS A 56 -3.568 8.387 1.202 1.00 0.13 O ATOM 939 CB LYS A 56 -6.146 9.685 2.961 1.00 0.17 C ATOM 940 CG LYS A 56 -7.374 8.891 3.347 1.00 0.68 C ATOM 941 CD LYS A 56 -7.421 7.494 2.727 1.00 0.67 C ATOM 942 CE LYS A 56 -7.282 7.503 1.213 1.00 0.23 C ATOM 943 NZ LYS A 56 -7.369 6.124 0.660 1.00 0.63 N ATOM 0 H LYS A 56 -4.831 10.024 4.935 1.00 0.16 H new ATOM 0 HA LYS A 56 -4.980 7.887 3.194 1.00 0.14 H new ATOM 0 HB2 LYS A 56 -6.126 10.602 3.550 1.00 0.17 H new ATOM 0 HB3 LYS A 56 -6.237 9.979 1.915 1.00 0.17 H new ATOM 0 HG2 LYS A 56 -7.410 8.799 4.432 1.00 0.68 H new ATOM 0 HG3 LYS A 56 -8.263 9.444 3.044 1.00 0.68 H new ATOM 0 HD2 LYS A 56 -6.623 6.887 3.155 1.00 0.67 H new ATOM 0 HD3 LYS A 56 -8.363 7.016 2.996 1.00 0.67 H new ATOM 0 HE2 LYS A 56 -8.065 8.124 0.776 1.00 0.23 H new ATOM 0 HE3 LYS A 56 -6.328 7.950 0.935 1.00 0.23 H new ATOM 0 HZ1 LYS A 56 -7.088 6.133 -0.341 1.00 0.63 H new ATOM 0 HZ2 LYS A 56 -6.734 5.496 1.192 1.00 0.63 H new ATOM 0 HZ3 LYS A 56 -8.346 5.778 0.742 1.00 0.63 H new ATOM 957 N PHE A 57 -3.592 10.536 1.810 1.00 0.12 N ATOM 958 CA PHE A 57 -2.678 10.943 0.754 1.00 0.12 C ATOM 959 C PHE A 57 -1.370 10.167 0.829 1.00 0.12 C ATOM 960 O PHE A 57 -0.829 9.750 -0.188 1.00 0.15 O ATOM 961 CB PHE A 57 -2.387 12.440 0.807 1.00 0.15 C ATOM 962 CG PHE A 57 -1.602 12.902 -0.382 1.00 0.19 C ATOM 963 CD1 PHE A 57 -2.231 13.200 -1.578 1.00 0.46 C ATOM 964 CD2 PHE A 57 -0.233 13.060 -0.293 1.00 0.68 C ATOM 965 CE1 PHE A 57 -1.504 13.649 -2.665 1.00 0.46 C ATOM 966 CE2 PHE A 57 0.499 13.504 -1.371 1.00 0.74 C ATOM 967 CZ PHE A 57 -0.159 13.712 -2.611 1.00 0.37 C ATOM 0 H PHE A 57 -3.934 11.298 2.395 1.00 0.12 H new ATOM 0 HA PHE A 57 -3.170 10.719 -0.192 1.00 0.12 H new ATOM 0 HB2 PHE A 57 -3.327 12.990 0.857 1.00 0.15 H new ATOM 0 HB3 PHE A 57 -1.834 12.670 1.718 1.00 0.15 H new ATOM 0 HD1 PHE A 57 -3.301 13.081 -1.663 1.00 0.46 H new ATOM 0 HD2 PHE A 57 0.270 12.832 0.635 1.00 0.68 H new ATOM 0 HE1 PHE A 57 -2.018 13.952 -3.565 1.00 0.46 H new ATOM 0 HE2 PHE A 57 1.558 13.691 -1.274 1.00 0.74 H new ATOM 0 HZ PHE A 57 0.413 13.919 -3.503 1.00 0.37 H new ATOM 977 N LYS A 58 -0.890 9.969 2.043 1.00 0.12 N ATOM 978 CA LYS A 58 0.355 9.261 2.295 1.00 0.13 C ATOM 979 C LYS A 58 0.327 7.850 1.708 1.00 0.11 C ATOM 980 O LYS A 58 1.283 7.422 1.065 1.00 0.14 O ATOM 981 CB LYS A 58 0.573 9.203 3.798 1.00 0.18 C ATOM 982 CG LYS A 58 1.868 8.551 4.239 1.00 0.26 C ATOM 983 CD LYS A 58 1.895 8.394 5.750 1.00 0.37 C ATOM 984 CE LYS A 58 1.548 9.702 6.443 1.00 0.44 C ATOM 985 NZ LYS A 58 2.651 10.696 6.343 1.00 1.31 N ATOM 0 H LYS A 58 -1.356 10.297 2.889 1.00 0.12 H new ATOM 0 HA LYS A 58 1.174 9.793 1.811 1.00 0.13 H new ATOM 0 HB2 LYS A 58 0.544 10.219 4.192 1.00 0.18 H new ATOM 0 HB3 LYS A 58 -0.259 8.662 4.249 1.00 0.18 H new ATOM 0 HG2 LYS A 58 1.971 7.575 3.764 1.00 0.26 H new ATOM 0 HG3 LYS A 58 2.715 9.155 3.915 1.00 0.26 H new ATOM 0 HD2 LYS A 58 1.188 7.621 6.051 1.00 0.37 H new ATOM 0 HD3 LYS A 58 2.884 8.062 6.067 1.00 0.37 H new ATOM 0 HE2 LYS A 58 0.644 10.118 5.999 1.00 0.44 H new ATOM 0 HE3 LYS A 58 1.328 9.509 7.493 1.00 0.44 H new ATOM 0 HZ1 LYS A 58 2.373 11.573 6.828 1.00 1.31 H new ATOM 0 HZ2 LYS A 58 3.508 10.310 6.789 1.00 1.31 H new ATOM 0 HZ3 LYS A 58 2.844 10.901 5.342 1.00 1.31 H new ATOM 999 N GLU A 59 -0.771 7.139 1.926 1.00 0.09 N ATOM 1000 CA GLU A 59 -0.911 5.781 1.416 1.00 0.09 C ATOM 1001 C GLU A 59 -1.142 5.771 -0.095 1.00 0.08 C ATOM 1002 O GLU A 59 -0.712 4.843 -0.774 1.00 0.09 O ATOM 1003 CB GLU A 59 -2.019 5.034 2.156 1.00 0.10 C ATOM 1004 CG GLU A 59 -3.295 5.824 2.308 1.00 0.12 C ATOM 1005 CD GLU A 59 -4.399 5.050 2.991 1.00 0.15 C ATOM 1006 OE1 GLU A 59 -4.178 4.562 4.121 1.00 0.25 O ATOM 1007 OE2 GLU A 59 -5.501 4.945 2.410 1.00 0.16 O ATOM 0 H GLU A 59 -1.577 7.479 2.451 1.00 0.09 H new ATOM 0 HA GLU A 59 0.027 5.257 1.601 1.00 0.09 H new ATOM 0 HB2 GLU A 59 -2.238 4.109 1.623 1.00 0.10 H new ATOM 0 HB3 GLU A 59 -1.657 4.754 3.145 1.00 0.10 H new ATOM 0 HG2 GLU A 59 -3.088 6.729 2.879 1.00 0.12 H new ATOM 0 HG3 GLU A 59 -3.638 6.140 1.323 1.00 0.12 H new ATOM 1014 N ILE A 60 -1.801 6.800 -0.631 1.00 0.07 N ATOM 1015 CA ILE A 60 -1.923 6.942 -2.087 1.00 0.09 C ATOM 1016 C ILE A 60 -0.539 7.191 -2.672 1.00 0.11 C ATOM 1017 O ILE A 60 -0.087 6.507 -3.596 1.00 0.14 O ATOM 1018 CB ILE A 60 -2.802 8.138 -2.519 1.00 0.10 C ATOM 1019 CG1 ILE A 60 -4.068 8.265 -1.682 1.00 0.10 C ATOM 1020 CG2 ILE A 60 -3.181 7.999 -3.979 1.00 0.14 C ATOM 1021 CD1 ILE A 60 -4.744 9.611 -1.854 1.00 0.11 C ATOM 0 H ILE A 60 -2.253 7.538 -0.091 1.00 0.07 H new ATOM 0 HA ILE A 60 -2.386 6.023 -2.446 1.00 0.09 H new ATOM 0 HB ILE A 60 -2.210 9.040 -2.363 1.00 0.10 H new ATOM 0 HG12 ILE A 60 -4.764 7.474 -1.960 1.00 0.10 H new ATOM 0 HG13 ILE A 60 -3.821 8.118 -0.631 1.00 0.10 H new ATOM 0 HG21 ILE A 60 -3.800 8.845 -4.276 1.00 0.14 H new ATOM 0 HG22 ILE A 60 -2.278 7.978 -4.589 1.00 0.14 H new ATOM 0 HG23 ILE A 60 -3.738 7.073 -4.124 1.00 0.14 H new ATOM 0 HD11 ILE A 60 -5.641 9.649 -1.236 1.00 0.11 H new ATOM 0 HD12 ILE A 60 -4.060 10.403 -1.550 1.00 0.11 H new ATOM 0 HD13 ILE A 60 -5.018 9.750 -2.900 1.00 0.11 H new ATOM 1033 N ASN A 61 0.125 8.185 -2.089 1.00 0.12 N ATOM 1034 CA ASN A 61 1.459 8.607 -2.486 1.00 0.17 C ATOM 1035 C ASN A 61 2.471 7.502 -2.222 1.00 0.19 C ATOM 1036 O ASN A 61 3.624 7.586 -2.634 1.00 0.33 O ATOM 1037 CB ASN A 61 1.843 9.876 -1.718 1.00 0.22 C ATOM 1038 CG ASN A 61 3.038 10.585 -2.316 1.00 0.31 C ATOM 1039 OD1 ASN A 61 3.268 10.544 -3.527 1.00 0.55 O ATOM 1040 ND2 ASN A 61 3.801 11.246 -1.466 1.00 0.59 N ATOM 0 H ASN A 61 -0.258 8.727 -1.315 1.00 0.12 H new ATOM 0 HA ASN A 61 1.461 8.819 -3.555 1.00 0.17 H new ATOM 0 HB2 ASN A 61 0.992 10.557 -1.703 1.00 0.22 H new ATOM 0 HB3 ASN A 61 2.062 9.616 -0.682 1.00 0.22 H new ATOM 0 HD21 ASN A 61 4.621 11.751 -1.803 1.00 0.59 H new ATOM 0 HD22 ASN A 61 3.571 11.252 -0.472 1.00 0.59 H new ATOM 1047 N ASN A 62 2.045 6.489 -1.491 1.00 0.11 N ATOM 1048 CA ASN A 62 2.840 5.291 -1.310 1.00 0.13 C ATOM 1049 C ASN A 62 2.474 4.252 -2.371 1.00 0.12 C ATOM 1050 O ASN A 62 3.288 3.920 -3.231 1.00 0.16 O ATOM 1051 CB ASN A 62 2.640 4.730 0.100 1.00 0.20 C ATOM 1052 CG ASN A 62 3.847 3.969 0.601 1.00 0.38 C ATOM 1053 OD1 ASN A 62 3.800 2.655 0.510 1.00 0.95 O flip ATOM 1054 ND2 ASN A 62 4.805 4.559 1.094 1.00 0.38 N flip ATOM 0 H ASN A 62 1.146 6.474 -1.010 1.00 0.11 H new ATOM 0 HA ASN A 62 3.894 5.542 -1.428 1.00 0.13 H new ATOM 0 HB2 ASN A 62 2.422 5.549 0.785 1.00 0.20 H new ATOM 0 HB3 ASN A 62 1.772 4.071 0.105 1.00 0.20 H new ATOM 0 HD21 ASN A 62 4.804 5.578 1.147 1.00 0.38 H new ATOM 0 HD22 ASN A 62 5.601 4.030 1.451 1.00 0.38 H new ATOM 1061 N ALA A 63 1.217 3.803 -2.339 1.00 0.10 N ATOM 1062 CA ALA A 63 0.737 2.674 -3.145 1.00 0.09 C ATOM 1063 C ALA A 63 1.047 2.793 -4.637 1.00 0.09 C ATOM 1064 O ALA A 63 1.311 1.779 -5.283 1.00 0.12 O ATOM 1065 CB ALA A 63 -0.762 2.495 -2.945 1.00 0.10 C ATOM 0 H ALA A 63 0.496 4.216 -1.748 1.00 0.10 H new ATOM 0 HA ALA A 63 1.282 1.799 -2.790 1.00 0.09 H new ATOM 0 HB1 ALA A 63 -1.112 1.656 -3.546 1.00 0.10 H new ATOM 0 HB2 ALA A 63 -0.968 2.299 -1.893 1.00 0.10 H new ATOM 0 HB3 ALA A 63 -1.281 3.403 -3.253 1.00 0.10 H new ATOM 1071 N HIS A 64 1.018 4.013 -5.177 1.00 0.09 N ATOM 1072 CA HIS A 64 1.192 4.223 -6.623 1.00 0.14 C ATOM 1073 C HIS A 64 2.397 3.471 -7.175 1.00 0.18 C ATOM 1074 O HIS A 64 2.319 2.807 -8.204 1.00 0.27 O ATOM 1075 CB HIS A 64 1.341 5.709 -6.965 1.00 0.19 C ATOM 1076 CG HIS A 64 2.598 6.373 -6.492 1.00 0.34 C ATOM 1077 ND1 HIS A 64 3.082 6.576 -5.253 1.00 1.07 N flip ATOM 1078 CD2 HIS A 64 3.519 6.926 -7.354 1.00 1.29 C flip ATOM 1079 CE1 HIS A 64 4.275 7.238 -5.382 1.00 0.97 C flip ATOM 1080 NE2 HIS A 64 4.517 7.436 -6.660 1.00 1.16 N flip ATOM 0 H HIS A 64 0.877 4.869 -4.641 1.00 0.09 H new ATOM 0 HA HIS A 64 0.288 3.831 -7.089 1.00 0.14 H new ATOM 0 HB2 HIS A 64 1.282 5.819 -8.048 1.00 0.19 H new ATOM 0 HB3 HIS A 64 0.491 6.245 -6.543 1.00 0.19 H new ATOM 0 HD2 HIS A 64 3.436 6.940 -8.431 1.00 1.29 H new ATOM 0 HE1 HIS A 64 4.913 7.547 -4.567 1.00 0.97 H new ATOM 0 HE2 HIS A 64 5.336 7.904 -7.047 1.00 1.16 H new ATOM 1089 N ALA A 65 3.506 3.607 -6.490 1.00 0.19 N ATOM 1090 CA ALA A 65 4.737 2.959 -6.892 1.00 0.25 C ATOM 1091 C ALA A 65 4.797 1.537 -6.363 1.00 0.25 C ATOM 1092 O ALA A 65 5.347 0.661 -7.011 1.00 0.45 O ATOM 1093 CB ALA A 65 5.937 3.755 -6.408 1.00 0.33 C ATOM 0 H ALA A 65 3.584 4.167 -5.641 1.00 0.19 H new ATOM 0 HA ALA A 65 4.761 2.919 -7.981 1.00 0.25 H new ATOM 0 HB1 ALA A 65 6.854 3.255 -6.718 1.00 0.33 H new ATOM 0 HB2 ALA A 65 5.907 4.756 -6.837 1.00 0.33 H new ATOM 0 HB3 ALA A 65 5.912 3.826 -5.321 1.00 0.33 H new ATOM 1099 N ILE A 66 4.195 1.309 -5.200 1.00 0.16 N ATOM 1100 CA ILE A 66 4.323 0.031 -4.505 1.00 0.14 C ATOM 1101 C ILE A 66 3.848 -1.135 -5.356 1.00 0.13 C ATOM 1102 O ILE A 66 4.595 -2.081 -5.597 1.00 0.16 O ATOM 1103 CB ILE A 66 3.530 0.003 -3.178 1.00 0.14 C ATOM 1104 CG1 ILE A 66 3.861 1.215 -2.313 1.00 0.18 C ATOM 1105 CG2 ILE A 66 3.807 -1.285 -2.414 1.00 0.17 C ATOM 1106 CD1 ILE A 66 5.338 1.478 -2.145 1.00 0.22 C ATOM 0 H ILE A 66 3.613 1.993 -4.718 1.00 0.16 H new ATOM 0 HA ILE A 66 5.388 -0.074 -4.298 1.00 0.14 H new ATOM 0 HB ILE A 66 2.469 0.041 -3.423 1.00 0.14 H new ATOM 0 HG12 ILE A 66 3.395 2.097 -2.752 1.00 0.18 H new ATOM 0 HG13 ILE A 66 3.415 1.076 -1.328 1.00 0.18 H new ATOM 0 HG21 ILE A 66 3.240 -1.285 -1.483 1.00 0.17 H new ATOM 0 HG22 ILE A 66 3.508 -2.140 -3.021 1.00 0.17 H new ATOM 0 HG23 ILE A 66 4.872 -1.353 -2.190 1.00 0.17 H new ATOM 0 HD11 ILE A 66 5.482 2.357 -1.516 1.00 0.22 H new ATOM 0 HD12 ILE A 66 5.810 0.615 -1.676 1.00 0.22 H new ATOM 0 HD13 ILE A 66 5.790 1.652 -3.121 1.00 0.22 H new ATOM 1118 N LEU A 67 2.614 -1.056 -5.826 1.00 0.12 N ATOM 1119 CA LEU A 67 1.983 -2.203 -6.466 1.00 0.15 C ATOM 1120 C LEU A 67 2.569 -2.462 -7.852 1.00 0.19 C ATOM 1121 O LEU A 67 2.452 -3.565 -8.385 1.00 0.26 O ATOM 1122 CB LEU A 67 0.462 -2.022 -6.560 1.00 0.15 C ATOM 1123 CG LEU A 67 -0.311 -1.899 -5.233 1.00 0.13 C ATOM 1124 CD1 LEU A 67 0.539 -2.298 -4.033 1.00 0.14 C ATOM 1125 CD2 LEU A 67 -0.850 -0.491 -5.060 1.00 0.11 C ATOM 0 H LEU A 67 2.032 -0.219 -5.778 1.00 0.12 H new ATOM 0 HA LEU A 67 2.189 -3.072 -5.840 1.00 0.15 H new ATOM 0 HB2 LEU A 67 0.263 -1.129 -7.152 1.00 0.15 H new ATOM 0 HB3 LEU A 67 0.054 -2.868 -7.113 1.00 0.15 H new ATOM 0 HG LEU A 67 -1.148 -2.596 -5.281 1.00 0.13 H new ATOM 0 HD11 LEU A 67 -0.048 -2.195 -3.121 1.00 0.14 H new ATOM 0 HD12 LEU A 67 0.860 -3.334 -4.143 1.00 0.14 H new ATOM 0 HD13 LEU A 67 1.414 -1.651 -3.976 1.00 0.14 H new ATOM 0 HD21 LEU A 67 -1.393 -0.423 -4.117 1.00 0.11 H new ATOM 0 HD22 LEU A 67 -0.022 0.217 -5.054 1.00 0.11 H new ATOM 0 HD23 LEU A 67 -1.523 -0.255 -5.884 1.00 0.11 H new ATOM 1137 N THR A 68 3.207 -1.454 -8.430 1.00 0.20 N ATOM 1138 CA THR A 68 3.809 -1.600 -9.747 1.00 0.24 C ATOM 1139 C THR A 68 5.321 -1.802 -9.628 1.00 0.30 C ATOM 1140 O THR A 68 6.022 -1.971 -10.629 1.00 0.46 O ATOM 1141 CB THR A 68 3.501 -0.379 -10.640 1.00 0.22 C ATOM 1142 OG1 THR A 68 3.995 -0.591 -11.969 1.00 0.27 O ATOM 1143 CG2 THR A 68 4.117 0.882 -10.065 1.00 0.23 C ATOM 0 H THR A 68 3.321 -0.531 -8.010 1.00 0.20 H new ATOM 0 HA THR A 68 3.373 -2.482 -10.217 1.00 0.24 H new ATOM 0 HB THR A 68 2.418 -0.257 -10.675 1.00 0.22 H new ATOM 0 HG1 THR A 68 4.814 -1.128 -11.932 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.886 1.728 -10.712 1.00 0.23 H new ATOM 0 HG22 THR A 68 3.710 1.065 -9.070 1.00 0.23 H new ATOM 0 HG23 THR A 68 5.198 0.761 -9.998 1.00 0.23 H new ATOM 1151 N ASP A 69 5.815 -1.787 -8.398 1.00 0.26 N ATOM 1152 CA ASP A 69 7.229 -2.001 -8.130 1.00 0.31 C ATOM 1153 C ASP A 69 7.430 -3.383 -7.543 1.00 0.38 C ATOM 1154 O ASP A 69 6.855 -3.713 -6.508 1.00 0.50 O ATOM 1155 CB ASP A 69 7.754 -0.965 -7.141 1.00 0.31 C ATOM 1156 CG ASP A 69 9.257 -1.023 -6.986 1.00 0.45 C ATOM 1157 OD1 ASP A 69 9.741 -1.908 -6.253 1.00 0.68 O ATOM 1158 OD2 ASP A 69 9.961 -0.199 -7.609 1.00 0.54 O ATOM 0 H ASP A 69 5.251 -1.627 -7.563 1.00 0.26 H new ATOM 0 HA ASP A 69 7.775 -1.906 -9.069 1.00 0.31 H new ATOM 0 HB2 ASP A 69 7.465 0.031 -7.475 1.00 0.31 H new ATOM 0 HB3 ASP A 69 7.285 -1.124 -6.170 1.00 0.31 H new ATOM 1163 N ALA A 70 8.265 -4.177 -8.195 1.00 0.52 N ATOM 1164 CA ALA A 70 8.459 -5.565 -7.810 1.00 0.62 C ATOM 1165 C ALA A 70 8.994 -5.690 -6.393 1.00 0.57 C ATOM 1166 O ALA A 70 8.678 -6.651 -5.701 1.00 0.59 O ATOM 1167 CB ALA A 70 9.397 -6.264 -8.776 1.00 0.79 C ATOM 0 H ALA A 70 8.821 -3.881 -8.997 1.00 0.52 H new ATOM 0 HA ALA A 70 7.482 -6.046 -7.846 1.00 0.62 H new ATOM 0 HB1 ALA A 70 9.528 -7.302 -8.469 1.00 0.79 H new ATOM 0 HB2 ALA A 70 8.974 -6.233 -9.780 1.00 0.79 H new ATOM 0 HB3 ALA A 70 10.363 -5.760 -8.774 1.00 0.79 H new ATOM 1173 N THR A 71 9.809 -4.734 -5.966 1.00 0.56 N ATOM 1174 CA THR A 71 10.397 -4.782 -4.639 1.00 0.57 C ATOM 1175 C THR A 71 9.443 -4.255 -3.571 1.00 0.48 C ATOM 1176 O THR A 71 9.232 -4.910 -2.552 1.00 0.51 O ATOM 1177 CB THR A 71 11.711 -3.994 -4.565 1.00 0.66 C ATOM 1178 OG1 THR A 71 12.676 -4.560 -5.463 1.00 0.78 O ATOM 1179 CG2 THR A 71 12.242 -4.017 -3.144 1.00 0.72 C ATOM 0 H THR A 71 10.076 -3.920 -6.519 1.00 0.56 H new ATOM 0 HA THR A 71 10.602 -5.835 -4.444 1.00 0.57 H new ATOM 0 HB THR A 71 11.525 -2.961 -4.859 1.00 0.66 H new ATOM 0 HG1 THR A 71 13.511 -4.049 -5.410 1.00 0.78 H new ATOM 0 HG21 THR A 71 13.175 -3.456 -3.095 1.00 0.72 H new ATOM 0 HG22 THR A 71 11.511 -3.563 -2.475 1.00 0.72 H new ATOM 0 HG23 THR A 71 12.422 -5.048 -2.839 1.00 0.72 H new ATOM 1187 N LYS A 72 8.874 -3.074 -3.799 1.00 0.41 N ATOM 1188 CA LYS A 72 8.020 -2.439 -2.799 1.00 0.37 C ATOM 1189 C LYS A 72 6.782 -3.274 -2.506 1.00 0.36 C ATOM 1190 O LYS A 72 6.233 -3.219 -1.408 1.00 0.41 O ATOM 1191 CB LYS A 72 7.597 -1.038 -3.224 1.00 0.35 C ATOM 1192 CG LYS A 72 8.346 0.080 -2.514 1.00 0.47 C ATOM 1193 CD LYS A 72 9.522 0.593 -3.319 1.00 0.71 C ATOM 1194 CE LYS A 72 9.082 1.215 -4.632 1.00 0.52 C ATOM 1195 NZ LYS A 72 10.187 1.953 -5.298 1.00 1.14 N ATOM 0 H LYS A 72 8.987 -2.541 -4.661 1.00 0.41 H new ATOM 0 HA LYS A 72 8.617 -2.363 -1.890 1.00 0.37 H new ATOM 0 HB2 LYS A 72 7.747 -0.935 -4.299 1.00 0.35 H new ATOM 0 HB3 LYS A 72 6.529 -0.921 -3.038 1.00 0.35 H new ATOM 0 HG2 LYS A 72 7.660 0.903 -2.314 1.00 0.47 H new ATOM 0 HG3 LYS A 72 8.701 -0.281 -1.548 1.00 0.47 H new ATOM 0 HD2 LYS A 72 10.068 1.332 -2.733 1.00 0.71 H new ATOM 0 HD3 LYS A 72 10.211 -0.228 -3.519 1.00 0.71 H new ATOM 0 HE2 LYS A 72 8.715 0.434 -5.298 1.00 0.52 H new ATOM 0 HE3 LYS A 72 8.250 1.895 -4.450 1.00 0.52 H new ATOM 0 HZ1 LYS A 72 9.910 2.186 -6.273 1.00 1.14 H new ATOM 0 HZ2 LYS A 72 10.384 2.830 -4.775 1.00 1.14 H new ATOM 0 HZ3 LYS A 72 11.041 1.360 -5.313 1.00 1.14 H new ATOM 1209 N ARG A 73 6.341 -4.046 -3.478 1.00 0.37 N ATOM 1210 CA ARG A 73 5.214 -4.940 -3.256 1.00 0.45 C ATOM 1211 C ARG A 73 5.726 -6.261 -2.709 1.00 0.52 C ATOM 1212 O ARG A 73 5.011 -6.984 -2.013 1.00 0.60 O ATOM 1213 CB ARG A 73 4.377 -5.146 -4.526 1.00 0.53 C ATOM 1214 CG ARG A 73 5.069 -5.928 -5.628 1.00 0.74 C ATOM 1215 CD ARG A 73 4.214 -5.972 -6.883 1.00 0.63 C ATOM 1216 NE ARG A 73 4.859 -6.718 -7.960 1.00 1.39 N ATOM 1217 CZ ARG A 73 4.555 -6.586 -9.251 1.00 1.89 C ATOM 1218 NH1 ARG A 73 3.621 -5.724 -9.638 1.00 1.74 N ATOM 1219 NH2 ARG A 73 5.191 -7.316 -10.158 1.00 2.78 N ATOM 0 H ARG A 73 6.736 -4.076 -4.418 1.00 0.37 H new ATOM 0 HA ARG A 73 4.547 -4.481 -2.526 1.00 0.45 H new ATOM 0 HB2 ARG A 73 3.456 -5.663 -4.257 1.00 0.53 H new ATOM 0 HB3 ARG A 73 4.091 -4.170 -4.918 1.00 0.53 H new ATOM 0 HG2 ARG A 73 6.031 -5.469 -5.855 1.00 0.74 H new ATOM 0 HG3 ARG A 73 5.272 -6.943 -5.286 1.00 0.74 H new ATOM 0 HD2 ARG A 73 3.253 -6.430 -6.650 1.00 0.63 H new ATOM 0 HD3 ARG A 73 4.010 -4.955 -7.218 1.00 0.63 H new ATOM 0 HE ARG A 73 5.590 -7.383 -7.708 1.00 1.39 H new ATOM 0 HH11 ARG A 73 3.131 -5.158 -8.945 1.00 1.74 H new ATOM 0 HH12 ARG A 73 3.394 -5.628 -10.628 1.00 1.74 H new ATOM 0 HH21 ARG A 73 5.911 -7.977 -9.867 1.00 2.78 H new ATOM 0 HH22 ARG A 73 4.960 -7.216 -11.146 1.00 2.78 H new ATOM 1233 N ASN A 74 6.981 -6.558 -3.029 1.00 0.53 N ATOM 1234 CA ASN A 74 7.647 -7.745 -2.525 1.00 0.63 C ATOM 1235 C ASN A 74 7.701 -7.724 -1.002 1.00 0.63 C ATOM 1236 O ASN A 74 7.041 -8.529 -0.352 1.00 0.68 O ATOM 1237 CB ASN A 74 9.062 -7.854 -3.097 1.00 0.68 C ATOM 1238 CG ASN A 74 9.795 -9.086 -2.615 1.00 0.78 C ATOM 1239 OD1 ASN A 74 9.723 -10.152 -3.226 1.00 0.87 O ATOM 1240 ND2 ASN A 74 10.508 -8.943 -1.515 1.00 0.79 N ATOM 0 H ASN A 74 7.559 -5.984 -3.642 1.00 0.53 H new ATOM 0 HA ASN A 74 7.073 -8.615 -2.843 1.00 0.63 H new ATOM 0 HB2 ASN A 74 9.009 -7.871 -4.186 1.00 0.68 H new ATOM 0 HB3 ASN A 74 9.631 -6.966 -2.819 1.00 0.68 H new ATOM 0 HD21 ASN A 74 11.029 -9.735 -1.138 1.00 0.79 H new ATOM 0 HD22 ASN A 74 10.539 -8.040 -1.041 1.00 0.79 H new ATOM 1247 N ILE A 75 8.458 -6.787 -0.419 1.00 0.60 N ATOM 1248 CA ILE A 75 8.612 -6.765 1.039 1.00 0.64 C ATOM 1249 C ILE A 75 7.275 -6.534 1.711 1.00 0.62 C ATOM 1250 O ILE A 75 7.053 -7.014 2.806 1.00 0.67 O ATOM 1251 CB ILE A 75 9.628 -5.718 1.573 1.00 0.68 C ATOM 1252 CG1 ILE A 75 9.067 -4.289 1.553 1.00 0.63 C ATOM 1253 CG2 ILE A 75 10.921 -5.788 0.793 1.00 0.72 C ATOM 1254 CD1 ILE A 75 8.737 -3.768 0.179 1.00 0.54 C ATOM 0 H ILE A 75 8.961 -6.053 -0.918 1.00 0.60 H new ATOM 0 HA ILE A 75 9.016 -7.746 1.289 1.00 0.64 H new ATOM 0 HB ILE A 75 9.824 -5.969 2.615 1.00 0.68 H new ATOM 0 HG12 ILE A 75 8.166 -4.257 2.166 1.00 0.63 H new ATOM 0 HG13 ILE A 75 9.792 -3.621 2.017 1.00 0.63 H new ATOM 0 HG21 ILE A 75 11.621 -5.048 1.181 1.00 0.72 H new ATOM 0 HG22 ILE A 75 11.353 -6.783 0.894 1.00 0.72 H new ATOM 0 HG23 ILE A 75 10.723 -5.583 -0.259 1.00 0.72 H new ATOM 0 HD11 ILE A 75 8.347 -2.753 0.259 1.00 0.54 H new ATOM 0 HD12 ILE A 75 9.638 -3.764 -0.435 1.00 0.54 H new ATOM 0 HD13 ILE A 75 7.987 -4.410 -0.283 1.00 0.54 H new ATOM 1266 N TYR A 76 6.390 -5.808 1.036 1.00 0.56 N ATOM 1267 CA TYR A 76 5.047 -5.561 1.536 1.00 0.58 C ATOM 1268 C TYR A 76 4.340 -6.875 1.837 1.00 0.63 C ATOM 1269 O TYR A 76 3.778 -7.063 2.917 1.00 0.68 O ATOM 1270 CB TYR A 76 4.257 -4.752 0.501 1.00 0.55 C ATOM 1271 CG TYR A 76 2.760 -4.949 0.568 1.00 0.61 C ATOM 1272 CD1 TYR A 76 1.985 -4.180 1.428 1.00 0.69 C ATOM 1273 CD2 TYR A 76 2.123 -5.896 -0.219 1.00 0.66 C ATOM 1274 CE1 TYR A 76 0.619 -4.348 1.500 1.00 0.79 C ATOM 1275 CE2 TYR A 76 0.756 -6.073 -0.152 1.00 0.77 C ATOM 1276 CZ TYR A 76 0.011 -5.323 0.676 1.00 0.82 C ATOM 1277 OH TYR A 76 -1.352 -5.475 0.775 1.00 0.95 O ATOM 0 H TYR A 76 6.584 -5.377 0.132 1.00 0.56 H new ATOM 0 HA TYR A 76 5.111 -4.991 2.463 1.00 0.58 H new ATOM 0 HB2 TYR A 76 4.479 -3.694 0.638 1.00 0.55 H new ATOM 0 HB3 TYR A 76 4.603 -5.024 -0.496 1.00 0.55 H new ATOM 0 HD1 TYR A 76 2.462 -3.438 2.051 1.00 0.69 H new ATOM 0 HD2 TYR A 76 2.705 -6.505 -0.895 1.00 0.66 H new ATOM 0 HE1 TYR A 76 0.025 -3.747 2.172 1.00 0.79 H new ATOM 0 HE2 TYR A 76 0.282 -6.821 -0.770 1.00 0.77 H new ATOM 0 HH TYR A 76 -1.649 -6.175 0.157 1.00 0.95 H new ATOM 1287 N ASP A 77 4.394 -7.783 0.877 1.00 0.66 N ATOM 1288 CA ASP A 77 3.729 -9.075 1.006 1.00 0.74 C ATOM 1289 C ASP A 77 4.537 -10.006 1.901 1.00 0.79 C ATOM 1290 O ASP A 77 3.983 -10.850 2.607 1.00 0.88 O ATOM 1291 CB ASP A 77 3.515 -9.697 -0.378 1.00 0.80 C ATOM 1292 CG ASP A 77 3.020 -11.131 -0.313 1.00 0.93 C ATOM 1293 OD1 ASP A 77 1.810 -11.337 -0.062 1.00 1.02 O ATOM 1294 OD2 ASP A 77 3.834 -12.058 -0.500 1.00 0.98 O ATOM 0 H ASP A 77 4.892 -7.652 -0.003 1.00 0.66 H new ATOM 0 HA ASP A 77 2.755 -8.924 1.471 1.00 0.74 H new ATOM 0 HB2 ASP A 77 2.796 -9.095 -0.934 1.00 0.80 H new ATOM 0 HB3 ASP A 77 4.453 -9.667 -0.933 1.00 0.80 H new ATOM 1299 N LYS A 78 5.851 -9.832 1.880 1.00 0.76 N ATOM 1300 CA LYS A 78 6.742 -10.642 2.704 1.00 0.84 C ATOM 1301 C LYS A 78 6.606 -10.268 4.180 1.00 0.87 C ATOM 1302 O LYS A 78 6.238 -11.098 5.014 1.00 0.94 O ATOM 1303 CB LYS A 78 8.204 -10.481 2.260 1.00 0.87 C ATOM 1304 CG LYS A 78 8.718 -11.563 1.306 1.00 1.03 C ATOM 1305 CD LYS A 78 8.396 -11.281 -0.156 1.00 1.06 C ATOM 1306 CE LYS A 78 6.931 -11.495 -0.496 1.00 0.97 C ATOM 1307 NZ LYS A 78 6.515 -12.916 -0.377 1.00 1.25 N ATOM 0 H LYS A 78 6.325 -9.138 1.302 1.00 0.76 H new ATOM 0 HA LYS A 78 6.452 -11.685 2.575 1.00 0.84 H new ATOM 0 HB2 LYS A 78 8.316 -9.510 1.777 1.00 0.87 H new ATOM 0 HB3 LYS A 78 8.837 -10.470 3.147 1.00 0.87 H new ATOM 0 HG2 LYS A 78 9.798 -11.656 1.421 1.00 1.03 H new ATOM 0 HG3 LYS A 78 8.284 -12.522 1.588 1.00 1.03 H new ATOM 0 HD2 LYS A 78 8.671 -10.253 -0.390 1.00 1.06 H new ATOM 0 HD3 LYS A 78 9.007 -11.926 -0.787 1.00 1.06 H new ATOM 0 HE2 LYS A 78 6.316 -10.884 0.165 1.00 0.97 H new ATOM 0 HE3 LYS A 78 6.744 -11.150 -1.513 1.00 0.97 H new ATOM 0 HZ1 LYS A 78 5.512 -13.007 -0.637 1.00 1.25 H new ATOM 0 HZ2 LYS A 78 7.092 -13.501 -1.014 1.00 1.25 H new ATOM 0 HZ3 LYS A 78 6.649 -13.236 0.603 1.00 1.25 H new ATOM 1321 N TYR A 79 6.902 -9.012 4.497 1.00 0.84 N ATOM 1322 CA TYR A 79 6.840 -8.526 5.873 1.00 0.92 C ATOM 1323 C TYR A 79 6.059 -7.215 5.942 1.00 0.86 C ATOM 1324 O TYR A 79 5.036 -7.119 6.617 1.00 0.95 O ATOM 1325 CB TYR A 79 8.251 -8.331 6.435 1.00 1.03 C ATOM 1326 CG TYR A 79 9.130 -9.554 6.306 1.00 1.26 C ATOM 1327 CD1 TYR A 79 9.050 -10.590 7.230 1.00 1.56 C ATOM 1328 CD2 TYR A 79 10.049 -9.670 5.270 1.00 1.45 C ATOM 1329 CE1 TYR A 79 9.859 -11.704 7.126 1.00 1.94 C ATOM 1330 CE2 TYR A 79 10.863 -10.781 5.161 1.00 1.84 C ATOM 1331 CZ TYR A 79 10.732 -11.812 6.049 1.00 2.05 C ATOM 1332 OH TYR A 79 11.579 -12.897 5.992 1.00 2.51 O ATOM 0 H TYR A 79 7.189 -8.308 3.817 1.00 0.84 H new ATOM 0 HA TYR A 79 6.323 -9.271 6.478 1.00 0.92 H new ATOM 0 HB2 TYR A 79 8.726 -7.497 5.919 1.00 1.03 H new ATOM 0 HB3 TYR A 79 8.179 -8.056 7.487 1.00 1.03 H new ATOM 0 HD1 TYR A 79 8.343 -10.522 8.043 1.00 1.56 H new ATOM 0 HD2 TYR A 79 10.128 -8.879 4.539 1.00 1.45 H new ATOM 0 HE1 TYR A 79 9.814 -12.483 7.873 1.00 1.94 H new ATOM 0 HE2 TYR A 79 11.602 -10.835 4.375 1.00 1.84 H new ATOM 0 HH TYR A 79 12.130 -12.840 5.184 1.00 2.51 H new ATOM 1342 N GLY A 80 6.555 -6.205 5.233 1.00 0.78 N ATOM 1343 CA GLY A 80 5.814 -4.969 5.055 1.00 0.82 C ATOM 1344 C GLY A 80 6.000 -3.956 6.166 1.00 0.95 C ATOM 1345 O GLY A 80 6.166 -2.771 5.888 1.00 1.06 O ATOM 0 H GLY A 80 7.466 -6.222 4.775 1.00 0.78 H new ATOM 0 HA2 GLY A 80 6.115 -4.513 4.112 1.00 0.82 H new ATOM 0 HA3 GLY A 80 4.753 -5.206 4.971 1.00 0.82 H new ATOM 1349 N SER A 81 5.996 -4.406 7.412 1.00 1.00 N ATOM 1350 CA SER A 81 6.092 -3.493 8.546 1.00 1.14 C ATOM 1351 C SER A 81 7.382 -2.677 8.491 1.00 1.12 C ATOM 1352 O SER A 81 7.352 -1.471 8.239 1.00 1.13 O ATOM 1353 CB SER A 81 6.007 -4.271 9.858 1.00 1.33 C ATOM 1354 OG SER A 81 4.798 -5.010 9.932 1.00 1.82 O ATOM 0 H SER A 81 5.928 -5.392 7.665 1.00 1.00 H new ATOM 0 HA SER A 81 5.255 -2.797 8.493 1.00 1.14 H new ATOM 0 HB2 SER A 81 6.857 -4.948 9.939 1.00 1.33 H new ATOM 0 HB3 SER A 81 6.068 -3.581 10.699 1.00 1.33 H new ATOM 0 HG SER A 81 4.766 -5.501 10.779 1.00 1.82 H new ATOM 1360 N LEU A 82 8.509 -3.338 8.707 1.00 1.15 N ATOM 1361 CA LEU A 82 9.801 -2.676 8.637 1.00 1.19 C ATOM 1362 C LEU A 82 10.192 -2.414 7.186 1.00 1.08 C ATOM 1363 O LEU A 82 10.462 -1.276 6.810 1.00 1.06 O ATOM 1364 CB LEU A 82 10.866 -3.527 9.348 1.00 1.33 C ATOM 1365 CG LEU A 82 12.326 -3.233 8.974 1.00 1.46 C ATOM 1366 CD1 LEU A 82 12.718 -1.813 9.342 1.00 1.80 C ATOM 1367 CD2 LEU A 82 13.252 -4.227 9.652 1.00 1.65 C ATOM 0 H LEU A 82 8.554 -4.332 8.932 1.00 1.15 H new ATOM 0 HA LEU A 82 9.732 -1.713 9.144 1.00 1.19 H new ATOM 0 HB2 LEU A 82 10.753 -3.390 10.423 1.00 1.33 H new ATOM 0 HB3 LEU A 82 10.663 -4.577 9.138 1.00 1.33 H new ATOM 0 HG LEU A 82 12.422 -3.336 7.893 1.00 1.46 H new ATOM 0 HD11 LEU A 82 13.757 -1.639 9.064 1.00 1.80 H new ATOM 0 HD12 LEU A 82 12.077 -1.109 8.811 1.00 1.80 H new ATOM 0 HD13 LEU A 82 12.601 -1.670 10.416 1.00 1.80 H new ATOM 0 HD21 LEU A 82 14.284 -4.008 9.379 1.00 1.65 H new ATOM 0 HD22 LEU A 82 13.139 -4.150 10.733 1.00 1.65 H new ATOM 0 HD23 LEU A 82 12.999 -5.237 9.331 1.00 1.65 H new ATOM 1379 N GLY A 83 10.171 -3.474 6.380 1.00 1.06 N ATOM 1380 CA GLY A 83 10.667 -3.422 5.008 1.00 1.01 C ATOM 1381 C GLY A 83 10.141 -2.262 4.180 1.00 0.90 C ATOM 1382 O GLY A 83 10.899 -1.637 3.441 1.00 0.91 O ATOM 0 H GLY A 83 9.812 -4.387 6.658 1.00 1.06 H new ATOM 0 HA2 GLY A 83 11.755 -3.367 5.033 1.00 1.01 H new ATOM 0 HA3 GLY A 83 10.406 -4.354 4.507 1.00 1.01 H new ATOM 1386 N LEU A 84 8.860 -1.961 4.300 1.00 0.84 N ATOM 1387 CA LEU A 84 8.251 -0.933 3.462 1.00 0.78 C ATOM 1388 C LEU A 84 8.616 0.466 3.961 1.00 0.87 C ATOM 1389 O LEU A 84 8.668 1.420 3.184 1.00 0.94 O ATOM 1390 CB LEU A 84 6.730 -1.112 3.419 1.00 0.75 C ATOM 1391 CG LEU A 84 5.998 -0.297 2.350 1.00 0.63 C ATOM 1392 CD1 LEU A 84 6.432 -0.726 0.955 1.00 0.91 C ATOM 1393 CD2 LEU A 84 4.493 -0.447 2.510 1.00 0.98 C ATOM 0 H LEU A 84 8.224 -2.406 4.961 1.00 0.84 H new ATOM 0 HA LEU A 84 8.642 -1.041 2.450 1.00 0.78 H new ATOM 0 HB2 LEU A 84 6.511 -2.168 3.259 1.00 0.75 H new ATOM 0 HB3 LEU A 84 6.323 -0.846 4.395 1.00 0.75 H new ATOM 0 HG LEU A 84 6.258 0.753 2.480 1.00 0.63 H new ATOM 0 HD11 LEU A 84 5.900 -0.134 0.210 1.00 0.91 H new ATOM 0 HD12 LEU A 84 7.505 -0.570 0.844 1.00 0.91 H new ATOM 0 HD13 LEU A 84 6.202 -1.782 0.811 1.00 0.91 H new ATOM 0 HD21 LEU A 84 3.985 0.138 1.743 1.00 0.98 H new ATOM 0 HD22 LEU A 84 4.219 -1.497 2.406 1.00 0.98 H new ATOM 0 HD23 LEU A 84 4.194 -0.090 3.496 1.00 0.98 H new ATOM 1405 N TYR A 85 8.884 0.581 5.256 1.00 0.94 N ATOM 1406 CA TYR A 85 9.246 1.861 5.859 1.00 1.08 C ATOM 1407 C TYR A 85 10.725 2.175 5.618 1.00 1.15 C ATOM 1408 O TYR A 85 11.087 3.299 5.261 1.00 1.24 O ATOM 1409 CB TYR A 85 8.901 1.842 7.363 1.00 1.19 C ATOM 1410 CG TYR A 85 10.033 2.234 8.296 1.00 1.32 C ATOM 1411 CD1 TYR A 85 10.939 1.291 8.768 1.00 1.35 C ATOM 1412 CD2 TYR A 85 10.195 3.554 8.696 1.00 1.46 C ATOM 1413 CE1 TYR A 85 11.972 1.655 9.613 1.00 1.51 C ATOM 1414 CE2 TYR A 85 11.224 3.926 9.538 1.00 1.61 C ATOM 1415 CZ TYR A 85 12.105 2.930 10.018 1.00 1.63 C ATOM 1416 OH TYR A 85 13.137 3.342 10.831 1.00 1.81 O ATOM 0 H TYR A 85 8.858 -0.199 5.912 1.00 0.94 H new ATOM 0 HA TYR A 85 8.670 2.657 5.388 1.00 1.08 H new ATOM 0 HB2 TYR A 85 8.062 2.516 7.534 1.00 1.19 H new ATOM 0 HB3 TYR A 85 8.564 0.840 7.629 1.00 1.19 H new ATOM 0 HD1 TYR A 85 10.835 0.258 8.470 1.00 1.35 H new ATOM 0 HD2 TYR A 85 9.503 4.304 8.342 1.00 1.46 H new ATOM 0 HE1 TYR A 85 12.677 0.909 9.950 1.00 1.51 H new ATOM 0 HE2 TYR A 85 11.354 4.959 9.825 1.00 1.61 H new ATOM 0 HH TYR A 85 13.052 4.302 11.007 1.00 1.81 H new ATOM 1426 N VAL A 86 11.573 1.167 5.790 1.00 1.15 N ATOM 1427 CA VAL A 86 13.011 1.331 5.620 1.00 1.25 C ATOM 1428 C VAL A 86 13.361 1.583 4.158 1.00 1.21 C ATOM 1429 O VAL A 86 14.308 2.306 3.852 1.00 1.32 O ATOM 1430 CB VAL A 86 13.780 0.100 6.170 1.00 1.30 C ATOM 1431 CG1 VAL A 86 13.175 -1.192 5.675 1.00 1.19 C ATOM 1432 CG2 VAL A 86 15.247 0.136 5.804 1.00 1.42 C ATOM 0 H VAL A 86 11.287 0.223 6.049 1.00 1.15 H new ATOM 0 HA VAL A 86 13.320 2.204 6.195 1.00 1.25 H new ATOM 0 HB VAL A 86 13.693 0.145 7.256 1.00 1.30 H new ATOM 0 HG11 VAL A 86 13.737 -2.035 6.078 1.00 1.19 H new ATOM 0 HG12 VAL A 86 12.138 -1.257 6.003 1.00 1.19 H new ATOM 0 HG13 VAL A 86 13.214 -1.218 4.586 1.00 1.19 H new ATOM 0 HG21 VAL A 86 15.745 -0.745 6.210 1.00 1.42 H new ATOM 0 HG22 VAL A 86 15.351 0.144 4.719 1.00 1.42 H new ATOM 0 HG23 VAL A 86 15.704 1.034 6.219 1.00 1.42 H new ATOM 1442 N ALA A 87 12.568 1.022 3.255 1.00 1.08 N ATOM 1443 CA ALA A 87 12.787 1.206 1.827 1.00 1.06 C ATOM 1444 C ALA A 87 12.676 2.673 1.441 1.00 1.13 C ATOM 1445 O ALA A 87 13.389 3.156 0.566 1.00 1.19 O ATOM 1446 CB ALA A 87 11.778 0.418 1.034 1.00 1.00 C ATOM 0 H ALA A 87 11.767 0.435 3.487 1.00 1.08 H new ATOM 0 HA ALA A 87 13.793 0.851 1.602 1.00 1.06 H new ATOM 0 HB1 ALA A 87 11.956 0.567 -0.031 1.00 1.00 H new ATOM 0 HB2 ALA A 87 11.874 -0.641 1.274 1.00 1.00 H new ATOM 0 HB3 ALA A 87 10.773 0.757 1.285 1.00 1.00 H new ATOM 1452 N GLU A 88 11.767 3.369 2.101 1.00 1.17 N ATOM 1453 CA GLU A 88 11.506 4.758 1.822 1.00 1.29 C ATOM 1454 C GLU A 88 12.691 5.641 2.199 1.00 1.41 C ATOM 1455 O GLU A 88 13.126 6.479 1.412 1.00 1.50 O ATOM 1456 CB GLU A 88 10.275 5.174 2.599 1.00 1.39 C ATOM 1457 CG GLU A 88 8.972 4.964 1.862 1.00 1.38 C ATOM 1458 CD GLU A 88 7.810 5.671 2.532 1.00 1.84 C ATOM 1459 OE1 GLU A 88 7.384 5.235 3.622 1.00 2.38 O ATOM 1460 OE2 GLU A 88 7.314 6.670 1.971 1.00 2.18 O ATOM 0 H GLU A 88 11.191 2.979 2.847 1.00 1.17 H new ATOM 0 HA GLU A 88 11.343 4.882 0.751 1.00 1.29 H new ATOM 0 HB2 GLU A 88 10.244 4.615 3.534 1.00 1.39 H new ATOM 0 HB3 GLU A 88 10.365 6.228 2.861 1.00 1.39 H new ATOM 0 HG2 GLU A 88 9.074 5.326 0.839 1.00 1.38 H new ATOM 0 HG3 GLU A 88 8.759 3.897 1.802 1.00 1.38 H new ATOM 1467 N GLN A 89 13.219 5.433 3.397 1.00 1.47 N ATOM 1468 CA GLN A 89 14.281 6.286 3.918 1.00 1.66 C ATOM 1469 C GLN A 89 15.661 5.804 3.474 1.00 1.70 C ATOM 1470 O GLN A 89 16.563 6.607 3.239 1.00 1.87 O ATOM 1471 CB GLN A 89 14.217 6.335 5.447 1.00 1.78 C ATOM 1472 CG GLN A 89 12.876 6.816 5.988 1.00 1.94 C ATOM 1473 CD GLN A 89 12.844 6.899 7.505 1.00 2.29 C ATOM 1474 OE1 GLN A 89 13.628 6.059 8.162 1.00 2.95 O flip ATOM 1475 NE2 GLN A 89 12.120 7.717 8.081 1.00 2.55 N flip ATOM 0 H GLN A 89 12.931 4.683 4.026 1.00 1.47 H new ATOM 0 HA GLN A 89 14.127 7.287 3.514 1.00 1.66 H new ATOM 0 HB2 GLN A 89 14.423 5.340 5.843 1.00 1.78 H new ATOM 0 HB3 GLN A 89 15.004 6.993 5.814 1.00 1.78 H new ATOM 0 HG2 GLN A 89 12.653 7.798 5.571 1.00 1.94 H new ATOM 0 HG3 GLN A 89 12.090 6.140 5.650 1.00 1.94 H new ATOM 0 HE21 GLN A 89 11.530 8.347 7.538 1.00 2.55 H new ATOM 0 HE22 GLN A 89 12.112 7.762 9.100 1.00 2.55 H new ATOM 1484 N PHE A 90 15.829 4.495 3.354 1.00 1.61 N ATOM 1485 CA PHE A 90 17.134 3.933 3.035 1.00 1.70 C ATOM 1486 C PHE A 90 17.249 3.543 1.565 1.00 1.62 C ATOM 1487 O PHE A 90 18.321 3.652 0.972 1.00 1.75 O ATOM 1488 CB PHE A 90 17.430 2.721 3.923 1.00 1.73 C ATOM 1489 CG PHE A 90 17.631 3.067 5.373 1.00 1.89 C ATOM 1490 CD1 PHE A 90 16.544 3.250 6.214 1.00 1.86 C ATOM 1491 CD2 PHE A 90 18.906 3.202 5.895 1.00 2.12 C ATOM 1492 CE1 PHE A 90 16.726 3.562 7.547 1.00 2.04 C ATOM 1493 CE2 PHE A 90 19.094 3.514 7.228 1.00 2.29 C ATOM 1494 CZ PHE A 90 18.002 3.695 8.054 1.00 2.25 C ATOM 0 H PHE A 90 15.085 3.807 3.471 1.00 1.61 H new ATOM 0 HA PHE A 90 17.872 4.711 3.229 1.00 1.70 H new ATOM 0 HB2 PHE A 90 16.607 2.011 3.839 1.00 1.73 H new ATOM 0 HB3 PHE A 90 18.323 2.219 3.551 1.00 1.73 H new ATOM 0 HD1 PHE A 90 15.543 3.147 5.822 1.00 1.86 H new ATOM 0 HD2 PHE A 90 19.763 3.062 5.253 1.00 2.12 H new ATOM 0 HE1 PHE A 90 15.871 3.702 8.191 1.00 2.04 H new ATOM 0 HE2 PHE A 90 20.094 3.616 7.623 1.00 2.29 H new ATOM 0 HZ PHE A 90 18.147 3.940 9.096 1.00 2.25 H new ATOM 1504 N GLY A 91 16.149 3.105 0.969 1.00 1.45 N ATOM 1505 CA GLY A 91 16.203 2.611 -0.389 1.00 1.40 C ATOM 1506 C GLY A 91 15.938 1.128 -0.414 1.00 1.36 C ATOM 1507 O GLY A 91 16.490 0.393 0.393 1.00 1.70 O ATOM 0 H GLY A 91 15.225 3.083 1.400 1.00 1.45 H new ATOM 0 HA2 GLY A 91 15.466 3.130 -1.002 1.00 1.40 H new ATOM 0 HA3 GLY A 91 17.181 2.820 -0.821 1.00 1.40 H new ATOM 1511 N GLU A 92 15.109 0.685 -1.342 1.00 1.17 N ATOM 1512 CA GLU A 92 14.584 -0.676 -1.311 1.00 1.13 C ATOM 1513 C GLU A 92 15.688 -1.701 -1.496 1.00 1.27 C ATOM 1514 O GLU A 92 15.733 -2.714 -0.804 1.00 1.35 O ATOM 1515 CB GLU A 92 13.538 -0.864 -2.402 1.00 1.10 C ATOM 1516 CG GLU A 92 12.891 0.432 -2.835 1.00 1.08 C ATOM 1517 CD GLU A 92 13.331 0.873 -4.214 1.00 1.19 C ATOM 1518 OE1 GLU A 92 14.450 1.406 -4.343 1.00 1.64 O ATOM 1519 OE2 GLU A 92 12.564 0.682 -5.179 1.00 1.46 O ATOM 0 H GLU A 92 14.782 1.246 -2.129 1.00 1.17 H new ATOM 0 HA GLU A 92 14.128 -0.829 -0.333 1.00 1.13 H new ATOM 0 HB2 GLU A 92 14.005 -1.336 -3.266 1.00 1.10 H new ATOM 0 HB3 GLU A 92 12.767 -1.546 -2.044 1.00 1.10 H new ATOM 0 HG2 GLU A 92 11.808 0.313 -2.825 1.00 1.08 H new ATOM 0 HG3 GLU A 92 13.133 1.213 -2.114 1.00 1.08 H new