USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.879! USER MOD Single : A 30 CYS SG : rot 160:sc= -1.39 USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -1.61 (180deg=-3.19!) USER MOD Single : A 38 GLN : amide:sc= -0.556 X(o=-0.56,f=-0.53) USER MOD Single : A 40 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 41 LYS NZ :NH3+ -115:sc= -0.603 (180deg=-2.46!) USER MOD Single : A 47 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.8!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.0991 K(o=0.099,f=-2.5) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -127:sc= -0.124 (180deg=-2.13!) USER MOD Single : A 71 HIS : no HE2:sc= -9.67! C(o=-9.7!,f=-9.5!) USER MOD Single : A 73 ASN : amide:sc=-0.00559 X(o=-0.0056,f=-0.0016) USER MOD Single : A 75 GLN : amide:sc= -0.233 K(o=-0.23,f=-1.5!) USER MOD Single : A 78 MET CE :methyl 170:sc= -2.11 (180deg=-2.27) USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.0333) USER MOD Single : A 80 HIS : no HD1:sc= -13.2! C(o=-13!,f=-16!) USER MOD Single : A 83 ASN : amide:sc= -2.67 K(o=-2.7,f=-0.54) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0268 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.215 7.935 13.491 1.00 0.00 N ATOM 170 CA ALA A 15 5.090 7.066 13.189 1.00 0.00 C ATOM 171 C ALA A 15 4.888 7.009 11.674 1.00 0.00 C ATOM 172 O ALA A 15 4.784 8.045 11.019 1.00 0.00 O ATOM 173 CB ALA A 15 3.846 7.566 13.926 1.00 0.00 C ATOM 0 HA ALA A 15 5.286 6.051 13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.002 6.914 13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.032 7.559 15.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.616 8.582 13.604 1.00 0.00 H new ATOM 179 N LEU A 16 4.838 5.789 11.160 1.00 0.00 N ATOM 180 CA LEU A 16 4.649 5.584 9.734 1.00 0.00 C ATOM 181 C LEU A 16 3.183 5.244 9.462 1.00 0.00 C ATOM 182 O LEU A 16 2.474 4.776 10.352 1.00 0.00 O ATOM 183 CB LEU A 16 5.631 4.535 9.209 1.00 0.00 C ATOM 184 CG LEU A 16 7.106 4.770 9.543 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.961 3.574 9.120 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.605 6.079 8.926 1.00 0.00 C ATOM 0 H LEU A 16 4.925 4.932 11.706 1.00 0.00 H new ATOM 0 HA LEU A 16 4.872 6.499 9.185 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.340 3.563 9.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.529 4.481 8.125 1.00 0.00 H new ATOM 0 HG LEU A 16 7.201 4.867 10.625 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.005 3.767 9.369 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.622 2.681 9.645 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.866 3.421 8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.656 6.223 9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.494 6.036 7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.021 6.912 9.318 1.00 0.00 H new ATOM 198 N PRO A 17 2.759 5.500 8.195 1.00 0.00 N ATOM 199 CA PRO A 17 1.390 5.226 7.794 1.00 0.00 C ATOM 200 C PRO A 17 1.164 3.725 7.603 1.00 0.00 C ATOM 201 O PRO A 17 2.118 2.951 7.560 1.00 0.00 O ATOM 202 CB PRO A 17 1.187 6.024 6.516 1.00 0.00 C ATOM 203 CG PRO A 17 2.580 6.342 5.998 1.00 0.00 C ATOM 204 CD PRO A 17 3.570 6.054 7.115 1.00 0.00 C ATOM 0 HA PRO A 17 0.663 5.520 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.619 5.450 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.625 6.937 6.711 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.808 5.737 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.644 7.386 5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.336 5.349 6.793 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.085 6.961 7.432 1.00 0.00 H new ATOM 212 N VAL A 18 -0.105 3.359 7.495 1.00 0.00 N ATOM 213 CA VAL A 18 -0.469 1.965 7.310 1.00 0.00 C ATOM 214 C VAL A 18 -1.014 1.768 5.894 1.00 0.00 C ATOM 215 O VAL A 18 -2.105 2.238 5.575 1.00 0.00 O ATOM 216 CB VAL A 18 -1.456 1.533 8.397 1.00 0.00 C ATOM 217 CG1 VAL A 18 -2.000 0.131 8.116 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.811 1.604 9.782 1.00 0.00 C ATOM 0 H VAL A 18 -0.894 4.004 7.532 1.00 0.00 H new ATOM 0 HA VAL A 18 0.407 1.325 7.413 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.296 2.227 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.699 -0.153 8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.514 0.126 7.155 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.175 -0.581 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.533 1.292 10.536 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.055 0.943 9.814 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.495 2.627 9.984 1.00 0.00 H new ATOM 228 N LEU A 19 -0.231 1.072 5.084 1.00 0.00 N ATOM 229 CA LEU A 19 -0.622 0.806 3.710 1.00 0.00 C ATOM 230 C LEU A 19 -1.276 -0.574 3.628 1.00 0.00 C ATOM 231 O LEU A 19 -0.609 -1.592 3.805 1.00 0.00 O ATOM 232 CB LEU A 19 0.574 0.978 2.770 1.00 0.00 C ATOM 233 CG LEU A 19 0.280 0.823 1.277 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.161 2.154 0.664 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.480 0.223 0.541 1.00 0.00 C ATOM 0 H LEU A 19 0.673 0.684 5.353 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.365 1.531 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.002 1.967 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.337 0.250 3.047 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.550 0.125 1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.364 2.016 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.065 2.503 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.631 2.892 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.244 0.123 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.344 0.876 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.707 -0.759 0.956 1.00 0.00 H new ATOM 247 N THR A 20 -2.573 -0.564 3.358 1.00 0.00 N ATOM 248 CA THR A 20 -3.324 -1.803 3.250 1.00 0.00 C ATOM 249 C THR A 20 -3.193 -2.386 1.842 1.00 0.00 C ATOM 250 O THR A 20 -3.786 -1.870 0.895 1.00 0.00 O ATOM 251 CB THR A 20 -4.771 -1.515 3.656 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.650 -0.693 4.814 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.497 -2.764 4.161 1.00 0.00 C ATOM 0 H THR A 20 -3.123 0.282 3.211 1.00 0.00 H new ATOM 0 HA THR A 20 -2.928 -2.565 3.921 1.00 0.00 H new ATOM 0 HB THR A 20 -5.311 -1.100 2.805 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.543 -0.458 5.143 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.519 -2.504 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.513 -3.518 3.375 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.976 -3.160 5.033 1.00 0.00 H new ATOM 261 N LEU A 21 -2.412 -3.452 1.748 1.00 0.00 N ATOM 262 CA LEU A 21 -2.196 -4.110 0.471 1.00 0.00 C ATOM 263 C LEU A 21 -3.133 -5.314 0.356 1.00 0.00 C ATOM 264 O LEU A 21 -3.070 -6.234 1.170 1.00 0.00 O ATOM 265 CB LEU A 21 -0.717 -4.464 0.294 1.00 0.00 C ATOM 266 CG LEU A 21 -0.395 -5.466 -0.816 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.881 -4.954 -2.174 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.096 -5.806 -0.832 1.00 0.00 C ATOM 0 H LEU A 21 -1.921 -3.876 2.535 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.440 -3.436 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.165 -3.545 0.098 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.344 -4.864 1.237 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.934 -6.391 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.640 -5.685 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.960 -4.804 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.390 -4.008 -2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.298 -6.520 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.674 -4.898 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.380 -6.242 0.126 1.00 0.00 H new ATOM 280 N PHE A 22 -3.982 -5.268 -0.661 1.00 0.00 N ATOM 281 CA PHE A 22 -4.931 -6.343 -0.892 1.00 0.00 C ATOM 282 C PHE A 22 -4.499 -7.211 -2.076 1.00 0.00 C ATOM 283 O PHE A 22 -4.701 -6.838 -3.230 1.00 0.00 O ATOM 284 CB PHE A 22 -6.276 -5.689 -1.218 1.00 0.00 C ATOM 285 CG PHE A 22 -6.883 -4.901 -0.056 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.344 -5.557 1.043 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.963 -3.545 -0.122 1.00 0.00 C ATOM 288 CE1 PHE A 22 -7.907 -4.826 2.122 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.527 -2.814 0.957 1.00 0.00 C ATOM 290 CZ PHE A 22 -7.987 -3.470 2.056 1.00 0.00 C ATOM 0 H PHE A 22 -4.032 -4.503 -1.334 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.992 -6.982 -0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.146 -5.020 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.979 -6.463 -1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.282 -6.634 1.095 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.598 -3.024 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.272 -5.347 2.995 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.591 -1.737 0.905 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.416 -2.914 2.876 1.00 0.00 H new ATOM 300 N THR A 23 -3.913 -8.353 -1.748 1.00 0.00 N ATOM 301 CA THR A 23 -3.451 -9.277 -2.769 1.00 0.00 C ATOM 302 C THR A 23 -4.151 -10.629 -2.621 1.00 0.00 C ATOM 303 O THR A 23 -4.907 -10.840 -1.674 1.00 0.00 O ATOM 304 CB THR A 23 -1.926 -9.368 -2.670 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.597 -10.528 -3.429 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.451 -9.702 -1.254 1.00 0.00 C ATOM 0 H THR A 23 -3.748 -8.659 -0.789 1.00 0.00 H new ATOM 0 HA THR A 23 -3.706 -8.922 -3.768 1.00 0.00 H new ATOM 0 HB THR A 23 -1.485 -8.424 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.626 -10.661 -3.419 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.362 -9.755 -1.238 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.787 -8.927 -0.565 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.865 -10.663 -0.948 1.00 0.00 H new ATOM 314 N LYS A 24 -3.873 -11.510 -3.571 1.00 0.00 N ATOM 315 CA LYS A 24 -4.467 -12.836 -3.558 1.00 0.00 C ATOM 316 C LYS A 24 -3.499 -13.830 -4.202 1.00 0.00 C ATOM 317 O LYS A 24 -2.367 -13.477 -4.529 1.00 0.00 O ATOM 318 CB LYS A 24 -5.849 -12.811 -4.215 1.00 0.00 C ATOM 319 CG LYS A 24 -5.773 -12.235 -5.630 1.00 0.00 C ATOM 320 CD LYS A 24 -6.899 -12.784 -6.507 1.00 0.00 C ATOM 321 CE LYS A 24 -6.339 -13.617 -7.662 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.427 -14.345 -8.353 1.00 0.00 N ATOM 0 H LYS A 24 -3.245 -11.332 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.632 -13.169 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.257 -13.821 -4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.532 -12.213 -3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.838 -11.148 -5.588 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.809 -12.480 -6.075 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.569 -13.397 -5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.491 -11.959 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.822 -12.968 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.603 -14.326 -7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.029 -14.905 -9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.903 -14.979 -7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.115 -13.663 -8.732 1.00 0.00 H new ATOM 385 N LEU A 29 0.678 -10.031 -10.529 1.00 0.00 N ATOM 386 CA LEU A 29 0.909 -8.607 -10.355 1.00 0.00 C ATOM 387 C LEU A 29 1.297 -8.332 -8.900 1.00 0.00 C ATOM 388 O LEU A 29 2.421 -7.916 -8.622 1.00 0.00 O ATOM 389 CB LEU A 29 -0.304 -7.806 -10.829 1.00 0.00 C ATOM 390 CG LEU A 29 -1.020 -8.343 -12.070 1.00 0.00 C ATOM 391 CD1 LEU A 29 -2.123 -7.386 -12.525 1.00 0.00 C ATOM 392 CD2 LEU A 29 -0.023 -8.643 -13.192 1.00 0.00 C ATOM 0 HA LEU A 29 1.742 -8.277 -10.976 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.024 -7.757 -10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.017 -6.785 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.500 -9.285 -11.805 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.615 -7.792 -13.409 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.854 -7.266 -11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.687 -6.417 -12.766 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.558 -9.023 -14.062 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.506 -7.729 -13.462 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.694 -9.390 -12.852 1.00 0.00 H new ATOM 404 N CYS A 30 0.346 -8.577 -8.011 1.00 0.00 N ATOM 405 CA CYS A 30 0.574 -8.361 -6.593 1.00 0.00 C ATOM 406 C CYS A 30 1.969 -8.886 -6.245 1.00 0.00 C ATOM 407 O CYS A 30 2.615 -8.382 -5.328 1.00 0.00 O ATOM 408 CB CYS A 30 -0.512 -9.017 -5.738 1.00 0.00 C ATOM 409 SG CYS A 30 -2.167 -8.523 -6.343 1.00 0.00 S ATOM 0 H CYS A 30 -0.584 -8.923 -8.246 1.00 0.00 H new ATOM 0 HA CYS A 30 0.522 -7.295 -6.373 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.411 -10.102 -5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.394 -8.722 -4.695 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.055 -9.375 -5.924 1.00 0.00 H new ATOM 415 N ASP A 31 2.391 -9.893 -6.995 1.00 0.00 N ATOM 416 CA ASP A 31 3.697 -10.492 -6.778 1.00 0.00 C ATOM 417 C ASP A 31 4.781 -9.438 -7.006 1.00 0.00 C ATOM 418 O ASP A 31 5.651 -9.243 -6.158 1.00 0.00 O ATOM 419 CB ASP A 31 3.944 -11.644 -7.755 1.00 0.00 C ATOM 420 CG ASP A 31 3.849 -13.043 -7.143 1.00 0.00 C ATOM 421 OD1 ASP A 31 2.894 -13.258 -6.365 1.00 0.00 O ATOM 422 OD2 ASP A 31 4.733 -13.865 -7.466 1.00 0.00 O ATOM 0 H ASP A 31 1.852 -10.309 -7.754 1.00 0.00 H new ATOM 0 HA ASP A 31 3.728 -10.872 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.223 -11.570 -8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.934 -11.522 -8.194 1.00 0.00 H new ATOM 427 N GLU A 32 4.695 -8.785 -8.156 1.00 0.00 N ATOM 428 CA GLU A 32 5.658 -7.755 -8.506 1.00 0.00 C ATOM 429 C GLU A 32 5.432 -6.505 -7.654 1.00 0.00 C ATOM 430 O GLU A 32 6.374 -5.965 -7.075 1.00 0.00 O ATOM 431 CB GLU A 32 5.586 -7.422 -9.998 1.00 0.00 C ATOM 432 CG GLU A 32 6.975 -7.106 -10.556 1.00 0.00 C ATOM 433 CD GLU A 32 7.291 -7.984 -11.769 1.00 0.00 C ATOM 434 OE1 GLU A 32 7.791 -9.107 -11.542 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.025 -7.513 -12.896 1.00 0.00 O ATOM 0 H GLU A 32 3.973 -8.950 -8.857 1.00 0.00 H new ATOM 0 HA GLU A 32 6.658 -8.135 -8.300 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.154 -8.262 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.925 -6.569 -10.153 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.026 -6.055 -10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.726 -7.264 -9.782 1.00 0.00 H new ATOM 442 N ALA A 33 4.178 -6.081 -7.604 1.00 0.00 N ATOM 443 CA ALA A 33 3.816 -4.904 -6.832 1.00 0.00 C ATOM 444 C ALA A 33 4.654 -4.862 -5.552 1.00 0.00 C ATOM 445 O ALA A 33 5.370 -3.893 -5.306 1.00 0.00 O ATOM 446 CB ALA A 33 2.313 -4.923 -6.545 1.00 0.00 C ATOM 0 H ALA A 33 3.400 -6.531 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 33 4.028 -3.995 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 33 2.042 -4.040 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.763 -4.923 -7.486 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.062 -5.820 -5.978 1.00 0.00 H new ATOM 452 N LYS A 34 4.536 -5.925 -4.770 1.00 0.00 N ATOM 453 CA LYS A 34 5.273 -6.022 -3.522 1.00 0.00 C ATOM 454 C LYS A 34 6.730 -5.624 -3.763 1.00 0.00 C ATOM 455 O LYS A 34 7.276 -4.788 -3.045 1.00 0.00 O ATOM 456 CB LYS A 34 5.109 -7.415 -2.909 1.00 0.00 C ATOM 457 CG LYS A 34 3.694 -7.609 -2.360 1.00 0.00 C ATOM 458 CD LYS A 34 3.469 -9.058 -1.924 1.00 0.00 C ATOM 459 CE LYS A 34 1.985 -9.332 -1.675 1.00 0.00 C ATOM 460 NZ LYS A 34 1.816 -10.336 -0.601 1.00 0.00 N ATOM 0 H LYS A 34 3.941 -6.727 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 34 4.869 -5.326 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.318 -8.175 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.836 -7.552 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.534 -6.942 -1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.964 -7.337 -3.122 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.843 -9.735 -2.692 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.037 -9.261 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.480 -8.407 -1.398 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.516 -9.689 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.977 -10.100 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.695 -11.279 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.658 -10.336 0.010 1.00 0.00 H new ATOM 474 N GLU A 35 7.319 -6.242 -4.777 1.00 0.00 N ATOM 475 CA GLU A 35 8.702 -5.963 -5.122 1.00 0.00 C ATOM 476 C GLU A 35 8.900 -4.463 -5.353 1.00 0.00 C ATOM 477 O GLU A 35 10.002 -3.945 -5.184 1.00 0.00 O ATOM 478 CB GLU A 35 9.135 -6.768 -6.348 1.00 0.00 C ATOM 479 CG GLU A 35 8.667 -8.221 -6.244 1.00 0.00 C ATOM 480 CD GLU A 35 9.532 -9.140 -7.108 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.687 -9.384 -6.697 1.00 0.00 O ATOM 482 OE2 GLU A 35 9.019 -9.577 -8.161 1.00 0.00 O ATOM 0 H GLU A 35 6.863 -6.935 -5.370 1.00 0.00 H new ATOM 0 HA GLU A 35 9.332 -6.268 -4.287 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.724 -6.314 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.220 -6.738 -6.442 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.710 -8.547 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.626 -8.295 -6.558 1.00 0.00 H new ATOM 489 N VAL A 36 7.813 -3.808 -5.736 1.00 0.00 N ATOM 490 CA VAL A 36 7.853 -2.378 -5.992 1.00 0.00 C ATOM 491 C VAL A 36 7.747 -1.624 -4.665 1.00 0.00 C ATOM 492 O VAL A 36 8.052 -0.434 -4.597 1.00 0.00 O ATOM 493 CB VAL A 36 6.756 -1.994 -6.987 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.943 -0.558 -7.481 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.712 -2.976 -8.160 1.00 0.00 C ATOM 0 H VAL A 36 6.900 -4.241 -5.875 1.00 0.00 H new ATOM 0 HA VAL A 36 8.802 -2.098 -6.450 1.00 0.00 H new ATOM 0 HB VAL A 36 5.799 -2.048 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.150 -0.310 -8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.902 0.127 -6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.910 -0.466 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.924 -2.680 -8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.671 -2.968 -8.677 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.509 -3.980 -7.787 1.00 0.00 H new ATOM 505 N LEU A 37 7.313 -2.347 -3.643 1.00 0.00 N ATOM 506 CA LEU A 37 7.163 -1.760 -2.322 1.00 0.00 C ATOM 507 C LEU A 37 8.321 -2.216 -1.432 1.00 0.00 C ATOM 508 O LEU A 37 8.404 -1.827 -0.268 1.00 0.00 O ATOM 509 CB LEU A 37 5.782 -2.081 -1.747 1.00 0.00 C ATOM 510 CG LEU A 37 4.591 -1.444 -2.466 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.340 -1.473 -1.586 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.929 -0.027 -2.936 1.00 0.00 C ATOM 0 H LEU A 37 7.061 -3.333 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 37 7.214 -0.673 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.650 -3.163 -1.755 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.762 -1.765 -0.704 1.00 0.00 H new ATOM 0 HG LEU A 37 4.372 -2.035 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.508 -1.014 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.090 -2.506 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.529 -0.920 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.066 0.403 -3.444 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.188 0.590 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.774 -0.064 -3.624 1.00 0.00 H new ATOM 524 N GLN A 38 9.186 -3.034 -2.013 1.00 0.00 N ATOM 525 CA GLN A 38 10.335 -3.547 -1.287 1.00 0.00 C ATOM 526 C GLN A 38 11.090 -2.401 -0.610 1.00 0.00 C ATOM 527 O GLN A 38 11.337 -2.442 0.594 1.00 0.00 O ATOM 528 CB GLN A 38 11.259 -4.341 -2.213 1.00 0.00 C ATOM 529 CG GLN A 38 11.188 -5.838 -1.906 1.00 0.00 C ATOM 530 CD GLN A 38 12.566 -6.386 -1.529 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.721 -7.162 -0.601 1.00 0.00 O ATOM 532 NE2 GLN A 38 13.555 -5.940 -2.299 1.00 0.00 N ATOM 0 H GLN A 38 9.114 -3.354 -2.979 1.00 0.00 H new ATOM 0 HA GLN A 38 9.978 -4.227 -0.514 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.978 -4.165 -3.251 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.285 -3.991 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.487 -6.013 -1.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.805 -6.373 -2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.356 -5.291 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN A 38 14.513 -6.247 -2.128 1.00 0.00 H new ATOM 541 N PRO A 39 11.443 -1.379 -1.435 1.00 0.00 N ATOM 542 CA PRO A 39 12.164 -0.224 -0.929 1.00 0.00 C ATOM 543 C PRO A 39 11.237 0.695 -0.131 1.00 0.00 C ATOM 544 O PRO A 39 11.664 1.740 0.359 1.00 0.00 O ATOM 545 CB PRO A 39 12.748 0.447 -2.161 1.00 0.00 C ATOM 546 CG PRO A 39 11.952 -0.086 -3.342 1.00 0.00 C ATOM 547 CD PRO A 39 11.166 -1.297 -2.866 1.00 0.00 C ATOM 0 HA PRO A 39 12.953 -0.496 -0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.665 1.532 -2.091 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.808 0.215 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.278 0.680 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.619 -0.361 -4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.100 -1.177 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.482 -2.203 -3.383 1.00 0.00 H new ATOM 555 N TYR A 40 9.986 0.272 -0.025 1.00 0.00 N ATOM 556 CA TYR A 40 8.995 1.044 0.705 1.00 0.00 C ATOM 557 C TYR A 40 8.422 0.237 1.872 1.00 0.00 C ATOM 558 O TYR A 40 7.411 0.620 2.460 1.00 0.00 O ATOM 559 CB TYR A 40 7.873 1.342 -0.292 1.00 0.00 C ATOM 560 CG TYR A 40 8.313 2.189 -1.488 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.249 3.566 -1.420 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.775 1.576 -2.635 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.663 4.363 -2.545 1.00 0.00 C ATOM 564 CE2 TYR A 40 9.189 2.373 -3.761 1.00 0.00 C ATOM 565 CZ TYR A 40 9.112 3.727 -3.660 1.00 0.00 C ATOM 566 OH TYR A 40 9.503 4.480 -4.724 1.00 0.00 O ATOM 0 H TYR A 40 9.636 -0.595 -0.432 1.00 0.00 H new ATOM 0 HA TYR A 40 9.441 1.950 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.466 0.399 -0.657 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.066 1.858 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 40 7.888 4.046 -0.522 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.826 0.499 -2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.618 5.441 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.552 1.906 -4.665 1.00 0.00 H new ATOM 0 HH TYR A 40 9.801 3.892 -5.449 1.00 0.00 H new ATOM 576 N LYS A 41 9.092 -0.865 2.173 1.00 0.00 N ATOM 577 CA LYS A 41 8.663 -1.730 3.259 1.00 0.00 C ATOM 578 C LYS A 41 8.895 -1.018 4.594 1.00 0.00 C ATOM 579 O LYS A 41 7.984 -0.919 5.415 1.00 0.00 O ATOM 580 CB LYS A 41 9.349 -3.093 3.162 1.00 0.00 C ATOM 581 CG LYS A 41 8.817 -3.891 1.970 1.00 0.00 C ATOM 582 CD LYS A 41 9.341 -5.328 1.993 1.00 0.00 C ATOM 583 CE LYS A 41 10.861 -5.360 1.823 1.00 0.00 C ATOM 584 NZ LYS A 41 11.533 -5.219 3.134 1.00 0.00 N ATOM 0 H LYS A 41 9.930 -1.179 1.683 1.00 0.00 H new ATOM 0 HA LYS A 41 7.594 -1.932 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.426 -2.956 3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.184 -3.653 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.727 -3.897 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.116 -3.406 1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.067 -5.804 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.870 -5.903 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.161 -6.297 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.175 -4.555 1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.067 -4.327 3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.820 -5.214 3.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.185 -6.017 3.278 1.00 0.00 H new ATOM 598 N ASP A 42 10.119 -0.542 4.769 1.00 0.00 N ATOM 599 CA ASP A 42 10.482 0.158 5.990 1.00 0.00 C ATOM 600 C ASP A 42 9.876 1.562 5.967 1.00 0.00 C ATOM 601 O ASP A 42 9.809 2.230 6.998 1.00 0.00 O ATOM 602 CB ASP A 42 12.000 0.299 6.112 1.00 0.00 C ATOM 603 CG ASP A 42 12.608 -0.323 7.371 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.934 -1.201 7.952 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.733 0.092 7.723 1.00 0.00 O ATOM 0 H ASP A 42 10.872 -0.627 4.086 1.00 0.00 H new ATOM 0 HA ASP A 42 10.104 -0.418 6.835 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.464 -0.159 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.254 1.359 6.089 1.00 0.00 H new ATOM 610 N ARG A 43 9.452 1.970 4.780 1.00 0.00 N ATOM 611 CA ARG A 43 8.854 3.284 4.610 1.00 0.00 C ATOM 612 C ARG A 43 7.552 3.382 5.408 1.00 0.00 C ATOM 613 O ARG A 43 7.327 4.362 6.116 1.00 0.00 O ATOM 614 CB ARG A 43 8.563 3.569 3.135 1.00 0.00 C ATOM 615 CG ARG A 43 9.799 4.130 2.430 1.00 0.00 C ATOM 616 CD ARG A 43 10.026 5.596 2.804 1.00 0.00 C ATOM 617 NE ARG A 43 10.837 5.684 4.039 1.00 0.00 N ATOM 618 CZ ARG A 43 10.980 6.800 4.766 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.368 7.930 4.386 1.00 0.00 N ATOM 620 NH2 ARG A 43 11.735 6.787 5.873 1.00 0.00 N ATOM 0 H ARG A 43 9.511 1.414 3.927 1.00 0.00 H new ATOM 0 HA ARG A 43 9.566 4.023 4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.243 2.652 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.740 4.279 3.054 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.675 3.542 2.702 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.678 4.041 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.532 6.113 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.068 6.095 2.952 1.00 0.00 H new ATOM 0 HE ARG A 43 11.317 4.842 4.356 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.793 7.940 3.543 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.477 8.780 4.939 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.201 5.927 6.162 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.844 7.637 6.426 1.00 0.00 H new ATOM 634 N PHE A 44 6.730 2.353 5.267 1.00 0.00 N ATOM 635 CA PHE A 44 5.457 2.312 5.966 1.00 0.00 C ATOM 636 C PHE A 44 5.105 0.882 6.380 1.00 0.00 C ATOM 637 O PHE A 44 5.890 -0.041 6.167 1.00 0.00 O ATOM 638 CB PHE A 44 4.394 2.823 4.991 1.00 0.00 C ATOM 639 CG PHE A 44 4.491 2.216 3.590 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.371 0.872 3.422 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.697 3.021 2.513 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.461 0.308 2.121 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.788 2.457 1.213 1.00 0.00 C ATOM 644 CZ PHE A 44 4.668 1.113 1.044 1.00 0.00 C ATOM 0 H PHE A 44 6.921 1.541 4.679 1.00 0.00 H new ATOM 0 HA PHE A 44 5.509 2.921 6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.407 2.609 5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.479 3.907 4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.207 0.233 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.791 4.089 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.365 -0.759 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.953 3.096 0.358 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.737 0.685 0.055 1.00 0.00 H new ATOM 654 N ILE A 45 3.925 0.743 6.966 1.00 0.00 N ATOM 655 CA ILE A 45 3.460 -0.560 7.412 1.00 0.00 C ATOM 656 C ILE A 45 2.570 -1.177 6.331 1.00 0.00 C ATOM 657 O ILE A 45 1.394 -0.835 6.221 1.00 0.00 O ATOM 658 CB ILE A 45 2.779 -0.446 8.778 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.773 0.003 9.851 1.00 0.00 C ATOM 660 CG2 ILE A 45 2.082 -1.756 9.154 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.112 0.958 10.846 1.00 0.00 C ATOM 0 H ILE A 45 3.277 1.511 7.142 1.00 0.00 H new ATOM 0 HA ILE A 45 4.302 -1.237 7.556 1.00 0.00 H new ATOM 0 HB ILE A 45 2.008 0.322 8.712 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.160 -0.868 10.380 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.624 0.495 9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.606 -1.648 10.129 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.326 -1.994 8.406 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.817 -2.560 9.196 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.841 1.262 11.598 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.747 1.839 10.318 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.276 0.455 11.333 1.00 0.00 H new ATOM 673 N LEU A 46 3.167 -2.075 5.562 1.00 0.00 N ATOM 674 CA LEU A 46 2.443 -2.744 4.493 1.00 0.00 C ATOM 675 C LEU A 46 1.536 -3.820 5.093 1.00 0.00 C ATOM 676 O LEU A 46 2.012 -4.876 5.509 1.00 0.00 O ATOM 677 CB LEU A 46 3.416 -3.276 3.439 1.00 0.00 C ATOM 678 CG LEU A 46 2.784 -3.808 2.151 1.00 0.00 C ATOM 679 CD1 LEU A 46 2.031 -2.701 1.411 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.832 -4.481 1.263 1.00 0.00 C ATOM 0 H LEU A 46 4.143 -2.355 5.657 1.00 0.00 H new ATOM 0 HA LEU A 46 1.797 -2.039 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.109 -2.477 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.006 -4.075 3.888 1.00 0.00 H new ATOM 0 HG LEU A 46 2.053 -4.570 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.592 -3.106 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.241 -2.308 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.723 -1.899 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.356 -4.850 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.604 -3.758 1.000 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.283 -5.315 1.801 1.00 0.00 H new ATOM 692 N GLN A 47 0.247 -3.517 5.117 1.00 0.00 N ATOM 693 CA GLN A 47 -0.730 -4.445 5.659 1.00 0.00 C ATOM 694 C GLN A 47 -1.315 -5.312 4.542 1.00 0.00 C ATOM 695 O GLN A 47 -2.221 -4.884 3.828 1.00 0.00 O ATOM 696 CB GLN A 47 -1.836 -3.701 6.411 1.00 0.00 C ATOM 697 CG GLN A 47 -2.434 -4.576 7.514 1.00 0.00 C ATOM 698 CD GLN A 47 -3.825 -4.080 7.914 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.711 -3.911 7.094 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.965 -3.858 9.218 1.00 0.00 N ATOM 0 H GLN A 47 -0.144 -2.641 4.770 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.226 -5.097 6.373 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.433 -2.786 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.619 -3.404 5.713 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.497 -5.608 7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.778 -4.570 8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.181 -4.020 9.850 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.856 -3.526 9.586 1.00 0.00 H new ATOM 709 N GLU A 48 -0.773 -6.515 4.425 1.00 0.00 N ATOM 710 CA GLU A 48 -1.229 -7.446 3.407 1.00 0.00 C ATOM 711 C GLU A 48 -2.527 -8.124 3.851 1.00 0.00 C ATOM 712 O GLU A 48 -2.510 -9.004 4.710 1.00 0.00 O ATOM 713 CB GLU A 48 -0.150 -8.484 3.089 1.00 0.00 C ATOM 714 CG GLU A 48 0.632 -8.094 1.833 1.00 0.00 C ATOM 715 CD GLU A 48 2.120 -8.409 1.994 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.418 -9.557 2.390 1.00 0.00 O ATOM 717 OE2 GLU A 48 2.927 -7.495 1.718 1.00 0.00 O ATOM 0 H GLU A 48 -0.022 -6.867 5.019 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.428 -6.886 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.533 -8.574 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.611 -9.461 2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.234 -8.630 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.501 -7.030 1.634 1.00 0.00 H new ATOM 724 N VAL A 49 -3.622 -7.688 3.245 1.00 0.00 N ATOM 725 CA VAL A 49 -4.926 -8.241 3.567 1.00 0.00 C ATOM 726 C VAL A 49 -5.247 -9.378 2.595 1.00 0.00 C ATOM 727 O VAL A 49 -5.071 -9.235 1.386 1.00 0.00 O ATOM 728 CB VAL A 49 -5.981 -7.133 3.559 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.384 -7.710 3.755 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.671 -6.074 4.619 1.00 0.00 C ATOM 0 H VAL A 49 -3.632 -6.958 2.533 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.924 -8.663 4.572 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.951 -6.649 2.583 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.115 -6.901 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.606 -8.409 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.433 -8.231 4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.436 -5.298 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.660 -6.539 5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.696 -5.630 4.416 1.00 0.00 H new ATOM 740 N ASP A 50 -5.711 -10.483 3.160 1.00 0.00 N ATOM 741 CA ASP A 50 -6.058 -11.644 2.358 1.00 0.00 C ATOM 742 C ASP A 50 -7.538 -11.571 1.975 1.00 0.00 C ATOM 743 O ASP A 50 -8.410 -11.848 2.797 1.00 0.00 O ATOM 744 CB ASP A 50 -5.836 -12.940 3.141 1.00 0.00 C ATOM 745 CG ASP A 50 -4.498 -13.634 2.877 1.00 0.00 C ATOM 746 OD1 ASP A 50 -3.664 -13.013 2.184 1.00 0.00 O ATOM 747 OD2 ASP A 50 -4.340 -14.769 3.375 1.00 0.00 O ATOM 0 H ASP A 50 -5.855 -10.599 4.163 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.423 -11.644 1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.910 -12.721 4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.642 -13.634 2.902 1.00 0.00 H new ATOM 752 N ILE A 51 -7.775 -11.196 0.727 1.00 0.00 N ATOM 753 CA ILE A 51 -9.134 -11.083 0.225 1.00 0.00 C ATOM 754 C ILE A 51 -9.629 -12.463 -0.210 1.00 0.00 C ATOM 755 O ILE A 51 -10.811 -12.640 -0.501 1.00 0.00 O ATOM 756 CB ILE A 51 -9.211 -10.026 -0.878 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.272 -10.371 -2.036 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.940 -8.628 -0.318 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.756 -9.738 -3.342 1.00 0.00 C ATOM 0 H ILE A 51 -7.049 -10.966 0.048 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.804 -10.738 1.013 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.226 -10.023 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.265 -10.020 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.214 -11.453 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.001 -7.896 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.682 -8.391 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.944 -8.600 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.071 -9.999 -4.149 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.753 -10.109 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.789 -8.654 -3.231 1.00 0.00 H new ATOM 771 N THR A 52 -8.700 -13.407 -0.242 1.00 0.00 N ATOM 772 CA THR A 52 -9.027 -14.767 -0.637 1.00 0.00 C ATOM 773 C THR A 52 -9.726 -15.501 0.509 1.00 0.00 C ATOM 774 O THR A 52 -10.124 -16.656 0.359 1.00 0.00 O ATOM 775 CB THR A 52 -7.737 -15.448 -1.098 1.00 0.00 C ATOM 776 OG1 THR A 52 -7.041 -15.731 0.112 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.806 -14.493 -1.849 1.00 0.00 C ATOM 0 H THR A 52 -7.720 -13.257 -0.001 1.00 0.00 H new ATOM 0 HA THR A 52 -9.733 -14.779 -1.468 1.00 0.00 H new ATOM 0 HB THR A 52 -7.984 -16.294 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.192 -16.175 -0.095 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.906 -15.027 -2.154 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.316 -14.107 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.533 -13.664 -1.197 1.00 0.00 H new ATOM 785 N LEU A 53 -9.855 -14.802 1.626 1.00 0.00 N ATOM 786 CA LEU A 53 -10.499 -15.373 2.797 1.00 0.00 C ATOM 787 C LEU A 53 -12.010 -15.152 2.701 1.00 0.00 C ATOM 788 O LEU A 53 -12.469 -14.297 1.944 1.00 0.00 O ATOM 789 CB LEU A 53 -9.875 -14.815 4.078 1.00 0.00 C ATOM 790 CG LEU A 53 -8.559 -15.458 4.518 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.956 -14.712 5.710 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.748 -16.948 4.811 1.00 0.00 C ATOM 0 H LEU A 53 -9.524 -13.845 1.746 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.336 -16.450 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.707 -13.747 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.597 -14.923 4.887 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.848 -15.379 3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.021 -15.190 6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.763 -13.676 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.654 -14.738 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.797 -17.381 5.122 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.481 -17.072 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.100 -17.454 3.912 1.00 0.00 H new ATOM 804 N PRO A 54 -12.760 -15.957 3.500 1.00 0.00 N ATOM 805 CA PRO A 54 -14.210 -15.857 3.512 1.00 0.00 C ATOM 806 C PRO A 54 -14.667 -14.613 4.277 1.00 0.00 C ATOM 807 O PRO A 54 -15.629 -13.956 3.882 1.00 0.00 O ATOM 808 CB PRO A 54 -14.688 -17.153 4.146 1.00 0.00 C ATOM 809 CG PRO A 54 -13.488 -17.723 4.885 1.00 0.00 C ATOM 810 CD PRO A 54 -12.251 -16.979 4.409 1.00 0.00 C ATOM 0 HA PRO A 54 -14.632 -15.738 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.517 -16.971 4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -15.047 -17.849 3.388 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.612 -17.607 5.962 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.391 -18.791 4.688 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.711 -16.533 5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.556 -17.649 3.902 1.00 0.00 H new ATOM 818 N GLU A 55 -13.956 -14.328 5.358 1.00 0.00 N ATOM 819 CA GLU A 55 -14.277 -13.175 6.182 1.00 0.00 C ATOM 820 C GLU A 55 -13.889 -11.882 5.460 1.00 0.00 C ATOM 821 O GLU A 55 -14.476 -10.830 5.707 1.00 0.00 O ATOM 822 CB GLU A 55 -13.592 -13.268 7.546 1.00 0.00 C ATOM 823 CG GLU A 55 -12.075 -13.124 7.409 1.00 0.00 C ATOM 824 CD GLU A 55 -11.364 -13.558 8.692 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.370 -14.780 8.958 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.832 -12.660 9.379 1.00 0.00 O ATOM 0 H GLU A 55 -13.159 -14.876 5.682 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.353 -13.164 6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.977 -12.489 8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.829 -14.224 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.723 -13.727 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.824 -12.088 7.183 1.00 0.00 H new ATOM 833 N ASN A 56 -12.903 -12.005 4.584 1.00 0.00 N ATOM 834 CA ASN A 56 -12.430 -10.860 3.825 1.00 0.00 C ATOM 835 C ASN A 56 -13.000 -10.922 2.407 1.00 0.00 C ATOM 836 O ASN A 56 -12.630 -10.121 1.549 1.00 0.00 O ATOM 837 CB ASN A 56 -10.903 -10.860 3.721 1.00 0.00 C ATOM 838 CG ASN A 56 -10.260 -10.840 5.109 1.00 0.00 C ATOM 839 OD1 ASN A 56 -10.791 -10.291 6.060 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.089 -11.467 5.171 1.00 0.00 N ATOM 0 H ASN A 56 -12.419 -12.880 4.383 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.756 -9.957 4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.572 -11.744 3.175 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.574 -9.991 3.151 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.579 -11.509 6.053 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.701 -11.906 4.336 1.00 0.00 H new ATOM 847 N SER A 57 -13.891 -11.882 2.203 1.00 0.00 N ATOM 848 CA SER A 57 -14.516 -12.059 0.903 1.00 0.00 C ATOM 849 C SER A 57 -15.085 -10.727 0.410 1.00 0.00 C ATOM 850 O SER A 57 -15.288 -10.541 -0.789 1.00 0.00 O ATOM 851 CB SER A 57 -15.619 -13.118 0.962 1.00 0.00 C ATOM 852 OG SER A 57 -16.074 -13.487 -0.336 1.00 0.00 O ATOM 0 H SER A 57 -14.195 -12.545 2.916 1.00 0.00 H new ATOM 0 HA SER A 57 -13.756 -12.404 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.246 -14.001 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.457 -12.736 1.545 1.00 0.00 H new ATOM 0 HG SER A 57 -16.776 -14.166 -0.256 1.00 0.00 H new ATOM 858 N THR A 58 -15.326 -9.835 1.360 1.00 0.00 N ATOM 859 CA THR A 58 -15.868 -8.526 1.036 1.00 0.00 C ATOM 860 C THR A 58 -14.837 -7.698 0.266 1.00 0.00 C ATOM 861 O THR A 58 -15.138 -7.161 -0.799 1.00 0.00 O ATOM 862 CB THR A 58 -16.324 -7.869 2.340 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.570 -8.498 2.629 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.686 -6.393 2.157 1.00 0.00 C ATOM 0 H THR A 58 -15.156 -9.993 2.353 1.00 0.00 H new ATOM 0 HA THR A 58 -16.732 -8.607 0.376 1.00 0.00 H new ATOM 0 HB THR A 58 -15.535 -7.960 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 58 -17.936 -8.132 3.461 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.003 -5.975 3.112 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.815 -5.847 1.793 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.498 -6.304 1.435 1.00 0.00 H new ATOM 872 N TRP A 59 -13.643 -7.620 0.836 1.00 0.00 N ATOM 873 CA TRP A 59 -12.567 -6.866 0.216 1.00 0.00 C ATOM 874 C TRP A 59 -12.381 -7.391 -1.209 1.00 0.00 C ATOM 875 O TRP A 59 -11.959 -6.651 -2.097 1.00 0.00 O ATOM 876 CB TRP A 59 -11.289 -6.946 1.054 1.00 0.00 C ATOM 877 CG TRP A 59 -11.254 -5.970 2.231 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.381 -6.246 3.536 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.074 -4.540 2.157 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.297 -5.104 4.305 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.104 -4.033 3.440 1.00 0.00 C ATOM 882 CE3 TRP A 59 -10.893 -3.702 1.043 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -10.959 -2.671 3.730 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -10.749 -2.344 1.349 1.00 0.00 C ATOM 885 CH2 TRP A 59 -10.777 -1.818 2.636 1.00 0.00 C ATOM 0 H TRP A 59 -13.398 -8.066 1.720 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.817 -5.806 0.166 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.179 -7.962 1.434 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.432 -6.753 0.409 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.530 -7.238 3.936 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.364 -5.054 5.322 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.867 -4.077 0.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.986 -2.299 4.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.606 -1.657 0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.659 -0.756 2.790 1.00 0.00 H new ATOM 896 N TYR A 60 -12.707 -8.663 -1.384 1.00 0.00 N ATOM 897 CA TYR A 60 -12.581 -9.295 -2.686 1.00 0.00 C ATOM 898 C TYR A 60 -13.772 -8.947 -3.582 1.00 0.00 C ATOM 899 O TYR A 60 -13.593 -8.477 -4.704 1.00 0.00 O ATOM 900 CB TYR A 60 -12.579 -10.803 -2.425 1.00 0.00 C ATOM 901 CG TYR A 60 -12.103 -11.640 -3.614 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.001 -12.028 -4.588 1.00 0.00 C ATOM 903 CD2 TYR A 60 -10.777 -12.007 -3.713 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.553 -12.816 -5.707 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.329 -12.794 -4.832 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.239 -13.160 -5.774 1.00 0.00 C ATOM 907 OH TYR A 60 -10.817 -13.904 -6.831 1.00 0.00 O ATOM 0 H TYR A 60 -13.058 -9.273 -0.646 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.676 -8.957 -3.190 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.939 -11.012 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.587 -11.116 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -14.039 -11.741 -4.511 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.075 -11.704 -2.951 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.245 -13.127 -6.476 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.293 -13.087 -4.921 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.855 -14.074 -6.748 1.00 0.00 H new ATOM 917 N GLU A 61 -14.962 -9.191 -3.052 1.00 0.00 N ATOM 918 CA GLU A 61 -16.182 -8.909 -3.789 1.00 0.00 C ATOM 919 C GLU A 61 -16.190 -7.454 -4.264 1.00 0.00 C ATOM 920 O GLU A 61 -16.941 -7.099 -5.171 1.00 0.00 O ATOM 921 CB GLU A 61 -17.418 -9.216 -2.942 1.00 0.00 C ATOM 922 CG GLU A 61 -17.609 -10.726 -2.779 1.00 0.00 C ATOM 923 CD GLU A 61 -18.706 -11.243 -3.712 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.634 -10.453 -3.991 1.00 0.00 O ATOM 925 OE2 GLU A 61 -18.592 -12.417 -4.127 1.00 0.00 O ATOM 0 H GLU A 61 -15.107 -9.581 -2.121 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.213 -9.557 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.316 -8.751 -1.962 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.301 -8.782 -3.411 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.672 -11.240 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.868 -10.954 -1.745 1.00 0.00 H new ATOM 932 N ARG A 62 -15.347 -6.653 -3.630 1.00 0.00 N ATOM 933 CA ARG A 62 -15.248 -5.245 -3.976 1.00 0.00 C ATOM 934 C ARG A 62 -13.999 -4.993 -4.823 1.00 0.00 C ATOM 935 O ARG A 62 -13.983 -4.092 -5.660 1.00 0.00 O ATOM 936 CB ARG A 62 -15.190 -4.372 -2.721 1.00 0.00 C ATOM 937 CG ARG A 62 -13.841 -4.515 -2.015 1.00 0.00 C ATOM 938 CD ARG A 62 -13.668 -3.442 -0.939 1.00 0.00 C ATOM 939 NE ARG A 62 -14.074 -2.122 -1.471 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.474 -1.095 -0.708 1.00 0.00 C ATOM 941 NH1 ARG A 62 -14.524 -1.230 0.624 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.823 0.066 -1.277 1.00 0.00 N ATOM 0 H ARG A 62 -14.726 -6.952 -2.878 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.138 -4.981 -4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.354 -3.329 -2.992 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.993 -4.655 -2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.767 -5.504 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -13.035 -4.437 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -14.269 -3.692 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.629 -3.408 -0.612 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.048 -1.985 -2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -14.258 -2.114 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.828 -0.449 1.205 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.784 0.169 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -15.127 0.847 -0.696 1.00 0.00 H new ATOM 956 N TYR A 63 -12.982 -5.806 -4.576 1.00 0.00 N ATOM 957 CA TYR A 63 -11.731 -5.682 -5.305 1.00 0.00 C ATOM 958 C TYR A 63 -11.154 -7.059 -5.641 1.00 0.00 C ATOM 959 O TYR A 63 -10.211 -7.515 -4.997 1.00 0.00 O ATOM 960 CB TYR A 63 -10.767 -4.954 -4.367 1.00 0.00 C ATOM 961 CG TYR A 63 -11.140 -3.494 -4.102 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.456 -2.660 -5.156 1.00 0.00 C ATOM 963 CD2 TYR A 63 -11.162 -3.011 -2.810 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.808 -1.286 -4.907 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.513 -1.637 -2.561 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.819 -0.842 -3.621 1.00 0.00 C ATOM 967 OH TYR A 63 -12.151 0.455 -3.386 1.00 0.00 O ATOM 0 H TYR A 63 -12.999 -6.553 -3.881 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.884 -5.149 -6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.729 -5.487 -3.417 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.764 -4.991 -4.793 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.439 -3.038 -6.167 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.916 -3.663 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.058 -0.623 -5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.533 -1.246 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 63 -12.118 0.632 -2.423 1.00 0.00 H new ATOM 977 N LYS A 64 -11.746 -7.683 -6.649 1.00 0.00 N ATOM 978 CA LYS A 64 -11.302 -8.998 -7.079 1.00 0.00 C ATOM 979 C LYS A 64 -10.782 -8.912 -8.515 1.00 0.00 C ATOM 980 O LYS A 64 -10.265 -9.892 -9.051 1.00 0.00 O ATOM 981 CB LYS A 64 -12.418 -10.028 -6.890 1.00 0.00 C ATOM 982 CG LYS A 64 -13.649 -9.661 -7.721 1.00 0.00 C ATOM 983 CD LYS A 64 -14.854 -10.517 -7.324 1.00 0.00 C ATOM 984 CE LYS A 64 -16.164 -9.844 -7.736 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.285 -10.339 -6.905 1.00 0.00 N ATOM 0 H LYS A 64 -12.529 -7.302 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.473 -9.342 -6.460 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.060 -11.015 -7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.690 -10.085 -5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.886 -8.606 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.432 -9.801 -8.780 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.780 -11.497 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.849 -10.681 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.074 -8.763 -7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.367 -10.044 -8.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.052 -10.677 -7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.953 -11.121 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.639 -9.567 -6.304 1.00 0.00 H new ATOM 999 N PHE A 65 -10.935 -7.732 -9.097 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.487 -7.506 -10.460 1.00 0.00 C ATOM 1001 C PHE A 65 -9.757 -6.167 -10.582 1.00 0.00 C ATOM 1002 O PHE A 65 -9.460 -5.716 -11.687 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.736 -7.474 -11.342 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.003 -7.022 -10.612 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.100 -5.748 -10.144 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.031 -7.893 -10.431 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.275 -5.329 -9.466 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.206 -7.473 -9.753 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.303 -6.200 -9.285 1.00 0.00 C ATOM 0 H PHE A 65 -11.363 -6.922 -8.649 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.797 -8.295 -10.760 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.556 -6.806 -12.184 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.902 -8.469 -11.755 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.284 -5.056 -10.288 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -13.954 -8.904 -10.803 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.352 -4.318 -9.094 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.023 -8.165 -9.609 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.197 -5.881 -8.769 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.488 -5.569 -9.430 1.00 0.00 N ATOM 1020 CA ASP A 66 -8.798 -4.290 -9.394 1.00 0.00 C ATOM 1021 C ASP A 66 -7.418 -4.478 -8.761 1.00 0.00 C ATOM 1022 O ASP A 66 -6.436 -3.898 -9.220 1.00 0.00 O ATOM 1023 CB ASP A 66 -9.570 -3.272 -8.553 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.086 -3.280 -8.758 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -11.731 -4.186 -8.187 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -11.566 -2.381 -9.481 1.00 0.00 O ATOM 0 H ASP A 66 -9.735 -5.946 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.714 -3.923 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.360 -3.459 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.193 -2.275 -8.781 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.389 -5.291 -7.715 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.145 -5.563 -7.013 1.00 0.00 C ATOM 1033 C ILE A 67 -4.996 -5.611 -8.022 1.00 0.00 C ATOM 1034 O ILE A 67 -5.212 -5.884 -9.202 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.274 -6.830 -6.166 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -6.939 -7.956 -6.961 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -7.010 -6.541 -4.856 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.496 -9.032 -6.026 1.00 0.00 C ATOM 0 H ILE A 67 -8.206 -5.770 -7.337 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.920 -4.760 -6.311 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.272 -7.169 -5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -7.744 -7.548 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.215 -8.401 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -7.088 -7.458 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.458 -5.794 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.009 -6.164 -5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.963 -9.820 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.685 -9.455 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.237 -8.588 -5.362 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.768 -5.336 -7.507 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.600 -5.022 -6.098 1.00 0.00 C ATOM 1052 C PRO A 68 -4.085 -3.604 -5.790 1.00 0.00 C ATOM 1053 O PRO A 68 -3.721 -2.655 -6.483 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.116 -5.214 -5.827 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.435 -5.175 -7.185 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.511 -5.315 -8.250 1.00 0.00 C ATOM 0 HA PRO A 68 -4.197 -5.664 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.733 -4.428 -5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.931 -6.163 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.891 -4.239 -7.313 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.706 -5.981 -7.270 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.481 -4.484 -8.954 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.378 -6.229 -8.829 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.900 -3.505 -4.750 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.439 -2.219 -4.342 1.00 0.00 C ATOM 1066 C VAL A 69 -4.680 -1.720 -3.111 1.00 0.00 C ATOM 1067 O VAL A 69 -4.655 -2.390 -2.079 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.947 -2.334 -4.109 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.502 -1.058 -3.473 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.680 -2.662 -5.411 1.00 0.00 C ATOM 0 H VAL A 69 -5.200 -4.294 -4.178 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.301 -1.479 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.117 -3.156 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.576 -1.166 -3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.012 -0.887 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.314 -0.211 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.750 -2.738 -5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.499 -1.872 -6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.314 -3.610 -5.805 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.080 -0.549 -3.260 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.322 0.048 -2.173 1.00 0.00 C ATOM 1082 C PHE A 70 -4.127 1.150 -1.483 1.00 0.00 C ATOM 1083 O PHE A 70 -4.565 2.101 -2.129 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.063 0.662 -2.790 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.145 -0.354 -3.472 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.344 -0.681 -4.777 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.130 -0.930 -2.773 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.492 -1.624 -5.410 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.722 -1.873 -3.407 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.523 -2.200 -4.712 1.00 0.00 C ATOM 0 H PHE A 70 -4.103 0.003 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.082 -0.710 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.359 1.416 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.502 1.176 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.150 -0.224 -5.332 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.028 -0.670 -1.737 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.650 -1.884 -6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.528 -2.331 -2.853 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.171 -2.917 -5.194 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.300 0.986 -0.180 1.00 0.00 N ATOM 1101 CA HIS A 71 -5.045 1.955 0.605 1.00 0.00 C ATOM 1102 C HIS A 71 -4.116 2.610 1.629 1.00 0.00 C ATOM 1103 O HIS A 71 -3.581 1.935 2.507 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.272 1.306 1.248 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.358 0.938 0.265 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.618 0.522 0.660 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.360 0.929 -1.099 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -9.337 0.276 -0.425 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.556 0.528 -1.514 1.00 0.00 N ATOM 0 H HIS A 71 -3.937 0.196 0.352 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.423 2.742 -0.047 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.958 0.408 1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.684 1.989 1.991 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.938 0.422 1.623 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.530 1.202 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.362 -0.064 -0.444 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.954 3.917 1.482 1.00 0.00 N ATOM 1118 CA LEU A 72 -3.099 4.670 2.384 1.00 0.00 C ATOM 1119 C LEU A 72 -3.968 5.497 3.333 1.00 0.00 C ATOM 1120 O LEU A 72 -4.739 6.348 2.892 1.00 0.00 O ATOM 1121 CB LEU A 72 -2.088 5.504 1.592 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.624 5.354 2.008 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.233 6.472 1.410 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.490 5.282 3.531 1.00 0.00 C ATOM 0 H LEU A 72 -4.400 4.473 0.752 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.507 3.994 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.175 5.239 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.365 6.555 1.681 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.251 4.412 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.270 6.342 1.721 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.173 6.434 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.132 7.437 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.561 5.175 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.887 6.195 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.049 4.424 3.905 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.815 5.217 4.619 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.577 5.924 5.634 1.00 0.00 C ATOM 1138 C ASN A 73 -6.069 5.653 5.428 1.00 0.00 C ATOM 1139 O ASN A 73 -6.868 6.585 5.355 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.353 7.434 5.539 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.156 7.866 6.388 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -3.182 7.831 7.608 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -2.109 8.275 5.679 1.00 0.00 N ATOM 0 H ASN A 73 -3.175 4.510 4.981 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.245 5.571 6.611 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.186 7.716 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.248 7.960 5.872 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.261 8.585 6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.153 8.279 4.660 1.00 0.00 H new ATOM 1150 N GLY A 74 -6.398 4.373 5.339 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.780 3.968 5.142 1.00 0.00 C ATOM 1152 C GLY A 74 -8.425 4.755 4.000 1.00 0.00 C ATOM 1153 O GLY A 74 -9.599 5.112 4.073 1.00 0.00 O ATOM 0 H GLY A 74 -5.732 3.603 5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.822 2.901 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.344 4.127 6.061 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.627 5.003 2.971 1.00 0.00 N ATOM 1158 CA GLN A 75 -8.106 5.742 1.815 1.00 0.00 C ATOM 1159 C GLN A 75 -7.387 5.271 0.549 1.00 0.00 C ATOM 1160 O GLN A 75 -6.175 5.437 0.421 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.931 7.249 2.016 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.284 7.962 2.020 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.558 8.625 0.669 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.659 9.052 -0.036 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.848 8.688 0.349 1.00 0.00 N ATOM 0 H GLN A 75 -6.653 4.706 2.914 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.172 5.546 1.699 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.414 7.436 2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.304 7.655 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.075 7.247 2.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.300 8.714 2.808 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.550 8.311 0.985 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.135 9.113 -0.533 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.164 4.692 -0.354 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.617 4.196 -1.605 1.00 0.00 C ATOM 1176 C PHE A 76 -6.549 5.145 -2.151 1.00 0.00 C ATOM 1177 O PHE A 76 -6.859 6.260 -2.570 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.775 4.123 -2.603 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.406 4.570 -4.019 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.645 3.766 -4.809 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -8.840 5.771 -4.487 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.302 4.181 -6.123 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.497 6.186 -5.801 1.00 0.00 C ATOM 1184 CZ PHE A 76 -7.736 5.382 -6.591 1.00 0.00 C ATOM 0 H PHE A 76 -9.169 4.555 -0.244 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.154 3.222 -1.447 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.144 3.098 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.594 4.743 -2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.302 2.812 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.445 6.409 -3.860 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.697 3.543 -6.750 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -8.840 7.140 -6.173 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.476 5.697 -7.591 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.312 4.669 -2.130 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.196 5.462 -2.617 1.00 0.00 C ATOM 1196 C LEU A 77 -4.021 5.219 -4.117 1.00 0.00 C ATOM 1197 O LEU A 77 -3.845 6.163 -4.887 1.00 0.00 O ATOM 1198 CB LEU A 77 -2.937 5.176 -1.797 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.677 4.839 -2.596 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.042 6.103 -3.178 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.688 4.037 -1.748 1.00 0.00 C ATOM 0 H LEU A 77 -5.058 3.744 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.398 6.525 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.727 6.047 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.148 4.346 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.964 4.208 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.148 5.835 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.754 6.596 -3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.771 6.780 -2.368 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.199 3.811 -2.340 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.401 4.621 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.156 3.107 -1.425 1.00 0.00 H new ATOM 1213 N MET A 78 -4.075 3.948 -4.489 1.00 0.00 N ATOM 1214 CA MET A 78 -3.924 3.569 -5.883 1.00 0.00 C ATOM 1215 C MET A 78 -4.088 2.058 -6.062 1.00 0.00 C ATOM 1216 O MET A 78 -3.777 1.285 -5.156 1.00 0.00 O ATOM 1217 CB MET A 78 -2.541 3.995 -6.382 1.00 0.00 C ATOM 1218 CG MET A 78 -1.458 3.039 -5.878 1.00 0.00 C ATOM 1219 SD MET A 78 0.157 3.741 -6.166 1.00 0.00 S ATOM 1220 CE MET A 78 1.120 2.792 -5.000 1.00 0.00 C ATOM 0 H MET A 78 -4.221 3.168 -3.848 1.00 0.00 H new ATOM 0 HA MET A 78 -4.699 4.071 -6.462 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.534 4.016 -7.472 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.324 5.008 -6.042 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.596 2.848 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.543 2.079 -6.388 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.181 2.975 -5.170 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.859 3.090 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.909 1.731 -5.132 1.00 0.00 H new ATOM 1230 N MET A 79 -4.575 1.682 -7.235 1.00 0.00 N ATOM 1231 CA MET A 79 -4.784 0.278 -7.544 1.00 0.00 C ATOM 1232 C MET A 79 -4.536 0.000 -9.028 1.00 0.00 C ATOM 1233 O MET A 79 -4.533 0.921 -9.843 1.00 0.00 O ATOM 1234 CB MET A 79 -6.217 -0.116 -7.183 1.00 0.00 C ATOM 1235 CG MET A 79 -7.229 0.784 -7.895 1.00 0.00 C ATOM 1236 SD MET A 79 -8.884 0.171 -7.629 1.00 0.00 S ATOM 1237 CE MET A 79 -9.777 1.715 -7.545 1.00 0.00 C ATOM 0 H MET A 79 -4.831 2.326 -7.984 1.00 0.00 H new ATOM 0 HA MET A 79 -4.077 -0.312 -6.960 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.392 -1.156 -7.459 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.357 -0.044 -6.104 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.146 1.805 -7.522 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.011 0.816 -8.963 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.846 1.514 -7.470 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.451 2.277 -6.669 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.580 2.299 -8.444 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.333 -1.273 -9.332 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.084 -1.684 -10.704 1.00 0.00 C ATOM 1249 C HIS A 80 -2.587 -1.593 -11.003 1.00 0.00 C ATOM 1250 O HIS A 80 -2.172 -1.718 -12.155 1.00 0.00 O ATOM 1251 CB HIS A 80 -4.935 -0.867 -11.678 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.375 -0.708 -11.252 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.302 0.004 -11.993 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.037 -1.177 -10.156 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.465 -0.040 -11.361 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.299 -0.772 -10.222 1.00 0.00 N ATOM 0 H HIS A 80 -4.336 -2.034 -8.652 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.382 -2.724 -10.836 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.490 0.121 -11.793 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.907 -1.345 -12.657 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -6.607 -1.777 -9.367 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.384 0.423 -11.690 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -9.025 -0.975 -9.535 1.00 0.00 H new ATOM 1264 N ARG A 81 -1.817 -1.375 -9.947 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.374 -1.265 -10.083 1.00 0.00 C ATOM 1266 C ARG A 81 0.219 -0.542 -8.873 1.00 0.00 C ATOM 1267 O ARG A 81 -0.488 -0.258 -7.907 1.00 0.00 O ATOM 1268 CB ARG A 81 0.003 -0.507 -11.357 1.00 0.00 C ATOM 1269 CG ARG A 81 0.436 -1.473 -12.462 1.00 0.00 C ATOM 1270 CD ARG A 81 0.139 -0.892 -13.846 1.00 0.00 C ATOM 1271 NE ARG A 81 0.754 -1.739 -14.893 1.00 0.00 N ATOM 1272 CZ ARG A 81 0.743 -1.444 -16.200 1.00 0.00 C ATOM 1273 NH1 ARG A 81 0.149 -0.322 -16.628 1.00 0.00 N ATOM 1274 NH2 ARG A 81 1.326 -2.271 -17.078 1.00 0.00 N ATOM 0 H ARG A 81 -2.165 -1.272 -8.994 1.00 0.00 H new ATOM 0 HA ARG A 81 0.032 -2.275 -10.142 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.847 0.084 -11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.811 0.192 -11.143 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.502 -1.680 -12.372 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.084 -2.423 -12.343 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.938 -0.833 -14.001 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.527 0.124 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 81 1.215 -2.601 -14.601 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.295 0.307 -15.959 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.140 -0.097 -17.623 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.778 -3.125 -16.752 1.00 0.00 H new ATOM 0 HH22 ARG A 81 1.318 -2.047 -18.073 1.00 0.00 H new ATOM 1288 N VAL A 82 1.511 -0.263 -8.965 1.00 0.00 N ATOM 1289 CA VAL A 82 2.208 0.422 -7.889 1.00 0.00 C ATOM 1290 C VAL A 82 2.857 1.694 -8.437 1.00 0.00 C ATOM 1291 O VAL A 82 4.049 1.707 -8.738 1.00 0.00 O ATOM 1292 CB VAL A 82 3.212 -0.525 -7.229 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.805 0.100 -5.965 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.569 -1.879 -6.922 1.00 0.00 C ATOM 0 H VAL A 82 2.094 -0.499 -9.768 1.00 0.00 H new ATOM 0 HA VAL A 82 1.507 0.724 -7.111 1.00 0.00 H new ATOM 0 HB VAL A 82 4.027 -0.694 -7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.515 -0.593 -5.515 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.317 1.027 -6.223 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.006 0.312 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.304 -2.533 -6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.726 -1.737 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.218 -2.333 -7.848 1.00 0.00 H new ATOM 1304 N ASN A 83 2.043 2.734 -8.550 1.00 0.00 N ATOM 1305 CA ASN A 83 2.524 4.008 -9.056 1.00 0.00 C ATOM 1306 C ASN A 83 3.360 4.699 -7.977 1.00 0.00 C ATOM 1307 O ASN A 83 2.898 5.645 -7.340 1.00 0.00 O ATOM 1308 CB ASN A 83 1.358 4.933 -9.415 1.00 0.00 C ATOM 1309 CG ASN A 83 1.730 5.858 -10.575 1.00 0.00 C ATOM 1310 OD1 ASN A 83 1.069 5.908 -11.600 1.00 0.00 O ATOM 1311 ND2 ASN A 83 2.822 6.586 -10.359 1.00 0.00 N ATOM 0 H ASN A 83 1.054 2.720 -8.300 1.00 0.00 H new ATOM 0 HA ASN A 83 3.119 3.813 -9.948 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.486 4.337 -9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.080 5.528 -8.545 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.152 7.234 -11.074 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.329 6.496 -9.479 1.00 0.00 H new ATOM 1318 N THR A 84 4.574 4.199 -7.804 1.00 0.00 N ATOM 1319 CA THR A 84 5.479 4.756 -6.813 1.00 0.00 C ATOM 1320 C THR A 84 5.332 6.278 -6.752 1.00 0.00 C ATOM 1321 O THR A 84 5.118 6.842 -5.680 1.00 0.00 O ATOM 1322 CB THR A 84 6.897 4.296 -7.156 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.926 4.291 -8.580 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.148 2.836 -6.773 1.00 0.00 C ATOM 0 H THR A 84 4.953 3.414 -8.334 1.00 0.00 H new ATOM 0 HA THR A 84 5.239 4.397 -5.812 1.00 0.00 H new ATOM 0 HB THR A 84 7.618 4.934 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.812 4.006 -8.888 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.169 2.561 -7.038 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.006 2.712 -5.699 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.449 2.194 -7.308 1.00 0.00 H new ATOM 1332 N SER A 85 5.452 6.899 -7.916 1.00 0.00 N ATOM 1333 CA SER A 85 5.336 8.344 -8.009 1.00 0.00 C ATOM 1334 C SER A 85 4.187 8.834 -7.125 1.00 0.00 C ATOM 1335 O SER A 85 4.336 9.810 -6.391 1.00 0.00 O ATOM 1336 CB SER A 85 5.118 8.787 -9.457 1.00 0.00 C ATOM 1337 OG SER A 85 5.144 10.206 -9.590 1.00 0.00 O ATOM 0 H SER A 85 5.628 6.427 -8.803 1.00 0.00 H new ATOM 0 HA SER A 85 6.269 8.786 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.890 8.349 -10.090 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.160 8.407 -9.812 1.00 0.00 H new ATOM 0 HG SER A 85 5.003 10.449 -10.529 1.00 0.00 H new ATOM 1343 N LYS A 86 3.066 8.134 -7.224 1.00 0.00 N ATOM 1344 CA LYS A 86 1.893 8.485 -6.443 1.00 0.00 C ATOM 1345 C LYS A 86 2.155 8.175 -4.968 1.00 0.00 C ATOM 1346 O LYS A 86 2.039 9.053 -4.115 1.00 0.00 O ATOM 1347 CB LYS A 86 0.649 7.794 -7.005 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.553 8.742 -7.003 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.415 8.536 -8.250 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.508 7.497 -7.995 1.00 0.00 C ATOM 1351 NZ LYS A 86 -3.842 8.062 -8.301 1.00 0.00 N ATOM 0 H LYS A 86 2.946 7.325 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 86 1.695 9.555 -6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.846 7.453 -8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.420 6.909 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.153 8.572 -6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.206 9.775 -6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.869 9.483 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.788 8.213 -9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.330 6.615 -8.610 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.474 7.172 -6.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.573 7.344 -8.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.015 8.890 -7.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.876 8.350 -9.300 1.00 0.00 H new ATOM 1365 N LEU A 87 2.505 6.922 -4.713 1.00 0.00 N ATOM 1366 CA LEU A 87 2.785 6.485 -3.356 1.00 0.00 C ATOM 1367 C LEU A 87 3.720 7.492 -2.683 1.00 0.00 C ATOM 1368 O LEU A 87 3.334 8.159 -1.724 1.00 0.00 O ATOM 1369 CB LEU A 87 3.322 5.052 -3.355 1.00 0.00 C ATOM 1370 CG LEU A 87 4.214 4.671 -2.172 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.484 4.881 -0.844 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.738 3.241 -2.319 1.00 0.00 C ATOM 0 H LEU A 87 2.601 6.196 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 87 1.868 6.458 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.474 4.367 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.886 4.896 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 87 5.080 5.333 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.141 4.603 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.202 5.929 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.588 4.261 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.369 2.995 -1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.898 2.548 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.321 3.160 -3.236 1.00 0.00 H new ATOM 1384 N GLU A 88 4.932 7.571 -3.212 1.00 0.00 N ATOM 1385 CA GLU A 88 5.925 8.486 -2.674 1.00 0.00 C ATOM 1386 C GLU A 88 5.287 9.842 -2.368 1.00 0.00 C ATOM 1387 O GLU A 88 5.455 10.378 -1.274 1.00 0.00 O ATOM 1388 CB GLU A 88 7.106 8.640 -3.635 1.00 0.00 C ATOM 1389 CG GLU A 88 7.590 7.276 -4.132 1.00 0.00 C ATOM 1390 CD GLU A 88 9.117 7.191 -4.101 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.671 7.351 -2.992 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.695 6.967 -5.186 1.00 0.00 O ATOM 0 H GLU A 88 5.249 7.017 -4.007 1.00 0.00 H new ATOM 0 HA GLU A 88 6.308 8.069 -1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.811 9.257 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.923 9.159 -3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.166 6.487 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.233 7.108 -5.148 1.00 0.00 H new ATOM 1399 N LYS A 89 4.568 10.358 -3.354 1.00 0.00 N ATOM 1400 CA LYS A 89 3.904 11.641 -3.204 1.00 0.00 C ATOM 1401 C LYS A 89 3.039 11.619 -1.942 1.00 0.00 C ATOM 1402 O LYS A 89 3.179 12.478 -1.073 1.00 0.00 O ATOM 1403 CB LYS A 89 3.128 11.995 -4.474 1.00 0.00 C ATOM 1404 CG LYS A 89 2.966 13.510 -4.614 1.00 0.00 C ATOM 1405 CD LYS A 89 1.845 14.028 -3.711 1.00 0.00 C ATOM 1406 CE LYS A 89 1.262 15.333 -4.254 1.00 0.00 C ATOM 1407 NZ LYS A 89 -0.187 15.185 -4.515 1.00 0.00 N ATOM 0 H LYS A 89 4.431 9.910 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 89 4.638 12.436 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.650 11.600 -5.345 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.146 11.522 -4.448 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.903 14.005 -4.357 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.747 13.761 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.058 13.278 -3.636 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.230 14.189 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.428 16.138 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.776 15.613 -5.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -0.567 16.080 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.338 14.431 -5.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.676 14.940 -3.630 1.00 0.00 H new ATOM 1421 N GLN A 90 2.164 10.626 -1.881 1.00 0.00 N ATOM 1422 CA GLN A 90 1.277 10.480 -0.739 1.00 0.00 C ATOM 1423 C GLN A 90 2.085 10.430 0.559 1.00 0.00 C ATOM 1424 O GLN A 90 1.802 11.170 1.499 1.00 0.00 O ATOM 1425 CB GLN A 90 0.396 9.237 -0.885 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.553 9.374 -2.077 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.260 10.731 -2.062 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.281 10.921 -1.422 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.662 11.661 -2.801 1.00 0.00 N ATOM 0 H GLN A 90 2.050 9.915 -2.603 1.00 0.00 H new ATOM 0 HA GLN A 90 0.620 11.349 -0.701 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.024 8.355 -1.015 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.180 9.086 0.028 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.006 9.261 -3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.293 8.574 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.191 11.435 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.057 12.600 -2.856 1.00 0.00 H new ATOM 1438 N LEU A 91 3.076 9.550 0.568 1.00 0.00 N ATOM 1439 CA LEU A 91 3.927 9.394 1.735 1.00 0.00 C ATOM 1440 C LEU A 91 4.200 10.769 2.349 1.00 0.00 C ATOM 1441 O LEU A 91 4.214 10.915 3.571 1.00 0.00 O ATOM 1442 CB LEU A 91 5.196 8.620 1.373 1.00 0.00 C ATOM 1443 CG LEU A 91 5.048 7.101 1.269 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.317 6.464 0.700 1.00 0.00 C ATOM 1445 CD2 LEU A 91 4.657 6.494 2.618 1.00 0.00 C ATOM 0 H LEU A 91 3.308 8.938 -0.214 1.00 0.00 H new ATOM 0 HA LEU A 91 3.424 8.798 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.567 8.995 0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.958 8.841 2.120 1.00 0.00 H new ATOM 0 HG LEU A 91 4.239 6.884 0.572 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.185 5.384 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.511 6.865 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.161 6.689 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.558 5.413 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.427 6.720 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.707 6.916 2.945 1.00 0.00 H new