USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 554 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 69:sc= 0.79 USER MOD Single : A 15 MET CE :methyl 171:sc= 0 (180deg=-0.142) USER MOD Single : A 18 GLN : amide:sc=-0.00327 K(o=-0.0033,f=-1.4) USER MOD Single : A 19 ASN : amide:sc= -2.68! K(o=-2.7!,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ -161:sc= -0.0928 (180deg=-0.663) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0908 USER MOD Single : A 28 ASN : amide:sc= -0.0206 K(o=-0.021,f=-0.61) USER MOD Single : A 31 TYR OH : rot -53:sc= 0.245 USER MOD Single : A 32 GLN : amide:sc= -0.0105 K(o=-0.01,f=-1.9!) USER MOD Single : A 35 MET CE :methyl -166:sc= -0.461 (180deg=-0.761) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -9.96! K(o=-10!,f=0.32) USER MOD Single : A 45 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.126) USER MOD Single : A 46 GLN : amide:sc= -1.24 K(o=-1.2,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 51 SER OG : rot 81:sc= 1 USER MOD Single : A 54 HIS : no HD1:sc= -3.36! C(o=-3.4!,f=-4.1!) USER MOD Single : A 55 ASN : amide:sc= -0.547 X(o=-0.55,f=-0.42) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.62! K(o=-1.6!,f=-0.016) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 138:sc= 0.337 (180deg=-1.98!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N PRO A 5 -12.893 13.519 1.162 1.00 0.59 N ATOM 78 CA PRO A 5 -11.861 13.953 2.151 1.00 0.58 C ATOM 79 C PRO A 5 -10.661 14.625 1.467 1.00 0.56 C ATOM 80 O PRO A 5 -10.448 14.452 0.284 1.00 0.67 O ATOM 81 CB PRO A 5 -11.441 12.643 2.827 1.00 0.62 C ATOM 82 CG PRO A 5 -12.652 11.771 2.749 1.00 0.73 C ATOM 83 CD PRO A 5 -13.366 12.149 1.447 1.00 0.58 C ATOM 0 HA PRO A 5 -12.244 14.696 2.851 1.00 0.58 H new ATOM 0 HB2 PRO A 5 -10.592 12.188 2.316 1.00 0.62 H new ATOM 0 HB3 PRO A 5 -11.139 12.810 3.861 1.00 0.62 H new ATOM 0 HG2 PRO A 5 -12.374 10.717 2.749 1.00 0.73 H new ATOM 0 HG3 PRO A 5 -13.302 11.929 3.610 1.00 0.73 H new ATOM 0 HD2 PRO A 5 -13.111 11.463 0.639 1.00 0.58 H new ATOM 0 HD3 PRO A 5 -14.449 12.117 1.563 1.00 0.58 H new ATOM 91 N PRO A 6 -9.882 15.387 2.195 1.00 0.55 N ATOM 92 CA PRO A 6 -8.691 16.086 1.629 1.00 0.57 C ATOM 93 C PRO A 6 -7.469 15.167 1.509 1.00 0.51 C ATOM 94 O PRO A 6 -6.393 15.600 1.147 1.00 0.70 O ATOM 95 CB PRO A 6 -8.432 17.195 2.651 1.00 0.67 C ATOM 96 CG PRO A 6 -8.853 16.599 3.954 1.00 0.84 C ATOM 97 CD PRO A 6 -10.039 15.679 3.635 1.00 0.68 C ATOM 0 HA PRO A 6 -8.867 16.445 0.615 1.00 0.57 H new ATOM 0 HB2 PRO A 6 -7.381 17.485 2.667 1.00 0.67 H new ATOM 0 HB3 PRO A 6 -9.006 18.092 2.419 1.00 0.67 H new ATOM 0 HG2 PRO A 6 -8.036 16.039 4.409 1.00 0.84 H new ATOM 0 HG3 PRO A 6 -9.141 17.375 4.663 1.00 0.84 H new ATOM 0 HD2 PRO A 6 -10.011 14.768 4.233 1.00 0.68 H new ATOM 0 HD3 PRO A 6 -10.991 16.167 3.843 1.00 0.68 H new ATOM 105 N TYR A 7 -7.617 13.906 1.818 1.00 0.42 N ATOM 106 CA TYR A 7 -6.456 12.978 1.732 1.00 0.36 C ATOM 107 C TYR A 7 -6.270 12.514 0.288 1.00 0.34 C ATOM 108 O TYR A 7 -7.221 12.282 -0.433 1.00 0.36 O ATOM 109 CB TYR A 7 -6.712 11.759 2.619 1.00 0.34 C ATOM 110 CG TYR A 7 -6.960 12.222 4.035 1.00 0.37 C ATOM 111 CD1 TYR A 7 -5.900 12.706 4.809 1.00 1.10 C ATOM 112 CD2 TYR A 7 -8.254 12.183 4.566 1.00 1.12 C ATOM 113 CE1 TYR A 7 -6.134 13.149 6.116 1.00 1.11 C ATOM 114 CE2 TYR A 7 -8.492 12.627 5.870 1.00 1.15 C ATOM 115 CZ TYR A 7 -7.430 13.110 6.647 1.00 0.47 C ATOM 116 OH TYR A 7 -7.659 13.550 7.934 1.00 0.54 O ATOM 0 H TYR A 7 -8.491 13.481 2.126 1.00 0.42 H new ATOM 0 HA TYR A 7 -5.558 13.497 2.066 1.00 0.36 H new ATOM 0 HB2 TYR A 7 -7.572 11.199 2.250 1.00 0.34 H new ATOM 0 HB3 TYR A 7 -5.856 11.085 2.588 1.00 0.34 H new ATOM 0 HD1 TYR A 7 -4.902 12.738 4.398 1.00 1.10 H new ATOM 0 HD2 TYR A 7 -9.071 11.809 3.967 1.00 1.12 H new ATOM 0 HE1 TYR A 7 -5.316 13.521 6.715 1.00 1.11 H new ATOM 0 HE2 TYR A 7 -9.492 12.598 6.278 1.00 1.15 H new ATOM 0 HH TYR A 7 -8.611 13.456 8.147 1.00 0.54 H new ATOM 126 N SER A 8 -5.045 12.363 -0.133 1.00 0.35 N ATOM 127 CA SER A 8 -4.781 11.898 -1.520 1.00 0.38 C ATOM 128 C SER A 8 -5.074 10.400 -1.594 1.00 0.32 C ATOM 129 O SER A 8 -5.107 9.719 -0.587 1.00 0.30 O ATOM 130 CB SER A 8 -3.315 12.154 -1.871 1.00 0.46 C ATOM 131 OG SER A 8 -3.014 11.531 -3.113 1.00 1.39 O ATOM 0 H SER A 8 -4.212 12.543 0.428 1.00 0.35 H new ATOM 0 HA SER A 8 -5.415 12.436 -2.225 1.00 0.38 H new ATOM 0 HB2 SER A 8 -3.126 13.226 -1.933 1.00 0.46 H new ATOM 0 HB3 SER A 8 -2.667 11.761 -1.087 1.00 0.46 H new ATOM 0 HG SER A 8 -2.075 11.695 -3.342 1.00 1.39 H new ATOM 137 N TYR A 9 -5.289 9.874 -2.767 1.00 0.34 N ATOM 138 CA TYR A 9 -5.580 8.418 -2.869 1.00 0.34 C ATOM 139 C TYR A 9 -4.393 7.641 -2.303 1.00 0.35 C ATOM 140 O TYR A 9 -4.555 6.654 -1.617 1.00 0.36 O ATOM 141 CB TYR A 9 -5.792 8.030 -4.334 1.00 0.39 C ATOM 142 CG TYR A 9 -7.086 8.629 -4.826 1.00 0.39 C ATOM 143 CD1 TYR A 9 -8.285 7.919 -4.692 1.00 1.21 C ATOM 144 CD2 TYR A 9 -7.085 9.898 -5.418 1.00 1.32 C ATOM 145 CE1 TYR A 9 -9.485 8.478 -5.147 1.00 1.23 C ATOM 146 CE2 TYR A 9 -8.285 10.456 -5.876 1.00 1.32 C ATOM 147 CZ TYR A 9 -9.484 9.746 -5.740 1.00 0.44 C ATOM 148 OH TYR A 9 -10.665 10.300 -6.191 1.00 0.50 O ATOM 0 H TYR A 9 -5.276 10.383 -3.651 1.00 0.34 H new ATOM 0 HA TYR A 9 -6.484 8.184 -2.307 1.00 0.34 H new ATOM 0 HB2 TYR A 9 -4.959 8.386 -4.941 1.00 0.39 H new ATOM 0 HB3 TYR A 9 -5.819 6.945 -4.435 1.00 0.39 H new ATOM 0 HD1 TYR A 9 -8.284 6.939 -4.237 1.00 1.21 H new ATOM 0 HD2 TYR A 9 -6.160 10.446 -5.521 1.00 1.32 H new ATOM 0 HE1 TYR A 9 -10.411 7.932 -5.041 1.00 1.23 H new ATOM 0 HE2 TYR A 9 -8.286 11.434 -6.334 1.00 1.32 H new ATOM 0 HH TYR A 9 -10.486 11.184 -6.574 1.00 0.50 H new ATOM 158 N ILE A 10 -3.200 8.086 -2.581 1.00 0.38 N ATOM 159 CA ILE A 10 -2.002 7.376 -2.056 1.00 0.42 C ATOM 160 C ILE A 10 -1.995 7.486 -0.527 1.00 0.38 C ATOM 161 O ILE A 10 -1.674 6.545 0.170 1.00 0.39 O ATOM 162 CB ILE A 10 -0.740 8.030 -2.625 1.00 0.50 C ATOM 163 CG1 ILE A 10 -0.758 7.967 -4.162 1.00 0.61 C ATOM 164 CG2 ILE A 10 0.498 7.300 -2.097 1.00 0.51 C ATOM 165 CD1 ILE A 10 -0.951 6.527 -4.658 1.00 0.96 C ATOM 0 H ILE A 10 -3.003 8.910 -3.149 1.00 0.38 H new ATOM 0 HA ILE A 10 -2.028 6.327 -2.350 1.00 0.42 H new ATOM 0 HB ILE A 10 -0.710 9.074 -2.313 1.00 0.50 H new ATOM 0 HG12 ILE A 10 -1.561 8.597 -4.545 1.00 0.61 H new ATOM 0 HG13 ILE A 10 0.176 8.368 -4.556 1.00 0.61 H new ATOM 0 HG21 ILE A 10 1.396 7.766 -2.503 1.00 0.51 H new ATOM 0 HG22 ILE A 10 0.519 7.359 -1.009 1.00 0.51 H new ATOM 0 HG23 ILE A 10 0.462 6.255 -2.403 1.00 0.51 H new ATOM 0 HD11 ILE A 10 -0.959 6.516 -5.748 1.00 0.96 H new ATOM 0 HD12 ILE A 10 -0.133 5.904 -4.295 1.00 0.96 H new ATOM 0 HD13 ILE A 10 -1.898 6.137 -4.284 1.00 0.96 H new ATOM 177 N ALA A 11 -2.350 8.628 0.000 1.00 0.36 N ATOM 178 CA ALA A 11 -2.373 8.798 1.483 1.00 0.36 C ATOM 179 C ALA A 11 -3.369 7.816 2.097 1.00 0.32 C ATOM 180 O ALA A 11 -3.068 7.147 3.063 1.00 0.32 O ATOM 181 CB ALA A 11 -2.787 10.232 1.829 1.00 0.38 C ATOM 0 H ALA A 11 -2.626 9.452 -0.534 1.00 0.36 H new ATOM 0 HA ALA A 11 -1.379 8.602 1.884 1.00 0.36 H new ATOM 0 HB1 ALA A 11 -2.803 10.355 2.912 1.00 0.38 H new ATOM 0 HB2 ALA A 11 -2.073 10.932 1.395 1.00 0.38 H new ATOM 0 HB3 ALA A 11 -3.780 10.431 1.426 1.00 0.38 H new ATOM 187 N LEU A 12 -4.548 7.715 1.551 1.00 0.32 N ATOM 188 CA LEU A 12 -5.537 6.765 2.129 1.00 0.31 C ATOM 189 C LEU A 12 -4.953 5.353 2.067 1.00 0.30 C ATOM 190 O LEU A 12 -5.041 4.592 3.011 1.00 0.32 O ATOM 191 CB LEU A 12 -6.836 6.820 1.322 1.00 0.33 C ATOM 192 CG LEU A 12 -7.484 8.204 1.456 1.00 0.34 C ATOM 193 CD1 LEU A 12 -8.687 8.285 0.509 1.00 0.37 C ATOM 194 CD2 LEU A 12 -7.949 8.443 2.903 1.00 0.36 C ATOM 0 H LEU A 12 -4.867 8.243 0.739 1.00 0.32 H new ATOM 0 HA LEU A 12 -5.751 7.034 3.163 1.00 0.31 H new ATOM 0 HB2 LEU A 12 -6.630 6.607 0.273 1.00 0.33 H new ATOM 0 HB3 LEU A 12 -7.525 6.052 1.675 1.00 0.33 H new ATOM 0 HG LEU A 12 -6.752 8.969 1.197 1.00 0.34 H new ATOM 0 HD11 LEU A 12 -9.154 9.266 0.597 1.00 0.37 H new ATOM 0 HD12 LEU A 12 -8.353 8.133 -0.517 1.00 0.37 H new ATOM 0 HD13 LEU A 12 -9.410 7.513 0.773 1.00 0.37 H new ATOM 0 HD21 LEU A 12 -8.406 9.429 2.980 1.00 0.36 H new ATOM 0 HD22 LEU A 12 -8.678 7.682 3.181 1.00 0.36 H new ATOM 0 HD23 LEU A 12 -7.092 8.387 3.574 1.00 0.36 H new ATOM 206 N ILE A 13 -4.343 5.001 0.969 1.00 0.31 N ATOM 207 CA ILE A 13 -3.740 3.645 0.853 1.00 0.32 C ATOM 208 C ILE A 13 -2.526 3.546 1.780 1.00 0.29 C ATOM 209 O ILE A 13 -2.394 2.620 2.553 1.00 0.30 O ATOM 210 CB ILE A 13 -3.283 3.414 -0.587 1.00 0.37 C ATOM 211 CG1 ILE A 13 -4.484 3.508 -1.528 1.00 0.42 C ATOM 212 CG2 ILE A 13 -2.656 2.026 -0.705 1.00 0.40 C ATOM 213 CD1 ILE A 13 -3.991 3.570 -2.976 1.00 0.49 C ATOM 0 H ILE A 13 -4.236 5.595 0.147 1.00 0.31 H new ATOM 0 HA ILE A 13 -4.481 2.896 1.132 1.00 0.32 H new ATOM 0 HB ILE A 13 -2.549 4.172 -0.859 1.00 0.37 H new ATOM 0 HG12 ILE A 13 -5.136 2.645 -1.391 1.00 0.42 H new ATOM 0 HG13 ILE A 13 -5.074 4.394 -1.295 1.00 0.42 H new ATOM 0 HG21 ILE A 13 -2.330 1.860 -1.732 1.00 0.40 H new ATOM 0 HG22 ILE A 13 -1.798 1.956 -0.036 1.00 0.40 H new ATOM 0 HG23 ILE A 13 -3.392 1.270 -0.432 1.00 0.40 H new ATOM 0 HD11 ILE A 13 -4.846 3.637 -3.649 1.00 0.49 H new ATOM 0 HD12 ILE A 13 -3.356 4.446 -3.107 1.00 0.49 H new ATOM 0 HD13 ILE A 13 -3.419 2.671 -3.204 1.00 0.49 H new ATOM 225 N THR A 14 -1.638 4.498 1.698 1.00 0.29 N ATOM 226 CA THR A 14 -0.422 4.472 2.557 1.00 0.31 C ATOM 227 C THR A 14 -0.822 4.523 4.032 1.00 0.32 C ATOM 228 O THR A 14 -0.241 3.863 4.871 1.00 0.34 O ATOM 229 CB THR A 14 0.462 5.675 2.225 1.00 0.35 C ATOM 230 OG1 THR A 14 0.844 5.615 0.859 1.00 0.37 O ATOM 231 CG2 THR A 14 1.712 5.653 3.107 1.00 0.39 C ATOM 0 H THR A 14 -1.704 5.298 1.068 1.00 0.29 H new ATOM 0 HA THR A 14 0.129 3.550 2.369 1.00 0.31 H new ATOM 0 HB THR A 14 -0.092 6.595 2.409 1.00 0.35 H new ATOM 0 HG1 THR A 14 0.059 5.769 0.293 1.00 0.37 H new ATOM 0 HG21 THR A 14 2.341 6.511 2.869 1.00 0.39 H new ATOM 0 HG22 THR A 14 1.418 5.698 4.156 1.00 0.39 H new ATOM 0 HG23 THR A 14 2.269 4.734 2.926 1.00 0.39 H new ATOM 239 N MET A 15 -1.805 5.315 4.352 1.00 0.33 N ATOM 240 CA MET A 15 -2.252 5.438 5.766 1.00 0.37 C ATOM 241 C MET A 15 -2.938 4.146 6.211 1.00 0.34 C ATOM 242 O MET A 15 -2.789 3.705 7.333 1.00 0.36 O ATOM 243 CB MET A 15 -3.235 6.606 5.864 1.00 0.44 C ATOM 244 CG MET A 15 -2.481 7.926 5.662 1.00 0.49 C ATOM 245 SD MET A 15 -3.650 9.227 5.194 1.00 0.67 S ATOM 246 CE MET A 15 -4.455 9.408 6.801 1.00 1.14 C ATOM 0 H MET A 15 -2.324 5.889 3.687 1.00 0.33 H new ATOM 0 HA MET A 15 -1.393 5.616 6.413 1.00 0.37 H new ATOM 0 HB2 MET A 15 -4.016 6.502 5.111 1.00 0.44 H new ATOM 0 HB3 MET A 15 -3.727 6.601 6.837 1.00 0.44 H new ATOM 0 HG2 MET A 15 -1.960 8.203 6.579 1.00 0.49 H new ATOM 0 HG3 MET A 15 -1.723 7.809 4.888 1.00 0.49 H new ATOM 0 HE1 MET A 15 -5.111 10.278 6.783 1.00 1.14 H new ATOM 0 HE2 MET A 15 -5.042 8.515 7.016 1.00 1.14 H new ATOM 0 HE3 MET A 15 -3.698 9.540 7.574 1.00 1.14 H new ATOM 256 N ALA A 16 -3.699 3.541 5.342 1.00 0.32 N ATOM 257 CA ALA A 16 -4.410 2.285 5.714 1.00 0.31 C ATOM 258 C ALA A 16 -3.396 1.206 6.114 1.00 0.29 C ATOM 259 O ALA A 16 -3.592 0.483 7.070 1.00 0.31 O ATOM 260 CB ALA A 16 -5.232 1.812 4.509 1.00 0.31 C ATOM 0 H ALA A 16 -3.860 3.863 4.388 1.00 0.32 H new ATOM 0 HA ALA A 16 -5.069 2.470 6.562 1.00 0.31 H new ATOM 0 HB1 ALA A 16 -5.759 0.893 4.766 1.00 0.31 H new ATOM 0 HB2 ALA A 16 -5.955 2.581 4.238 1.00 0.31 H new ATOM 0 HB3 ALA A 16 -4.567 1.626 3.666 1.00 0.31 H new ATOM 266 N ILE A 17 -2.317 1.087 5.389 1.00 0.27 N ATOM 267 CA ILE A 17 -1.300 0.050 5.729 1.00 0.28 C ATOM 268 C ILE A 17 -0.745 0.316 7.127 1.00 0.30 C ATOM 269 O ILE A 17 -0.680 -0.559 7.966 1.00 0.33 O ATOM 270 CB ILE A 17 -0.154 0.135 4.721 1.00 0.29 C ATOM 271 CG1 ILE A 17 -0.711 -0.115 3.323 1.00 0.29 C ATOM 272 CG2 ILE A 17 0.901 -0.928 5.052 1.00 0.33 C ATOM 273 CD1 ILE A 17 0.352 0.220 2.274 1.00 0.32 C ATOM 0 H ILE A 17 -2.095 1.662 4.576 1.00 0.27 H new ATOM 0 HA ILE A 17 -1.760 -0.938 5.699 1.00 0.28 H new ATOM 0 HB ILE A 17 0.308 1.121 4.766 1.00 0.29 H new ATOM 0 HG12 ILE A 17 -1.017 -1.157 3.224 1.00 0.29 H new ATOM 0 HG13 ILE A 17 -1.600 0.495 3.161 1.00 0.29 H new ATOM 0 HG21 ILE A 17 1.718 -0.867 4.333 1.00 0.33 H new ATOM 0 HG22 ILE A 17 1.288 -0.756 6.056 1.00 0.33 H new ATOM 0 HG23 ILE A 17 0.448 -1.918 5.003 1.00 0.33 H new ATOM 0 HD11 ILE A 17 -0.051 0.040 1.277 1.00 0.32 H new ATOM 0 HD12 ILE A 17 0.637 1.268 2.366 1.00 0.32 H new ATOM 0 HD13 ILE A 17 1.228 -0.409 2.430 1.00 0.32 H new ATOM 285 N GLN A 18 -0.339 1.529 7.370 1.00 0.32 N ATOM 286 CA GLN A 18 0.224 1.880 8.705 1.00 0.36 C ATOM 287 C GLN A 18 -0.884 1.860 9.761 1.00 0.36 C ATOM 288 O GLN A 18 -0.686 1.421 10.875 1.00 0.38 O ATOM 289 CB GLN A 18 0.842 3.279 8.645 1.00 0.44 C ATOM 290 CG GLN A 18 2.111 3.241 7.789 1.00 0.51 C ATOM 291 CD GLN A 18 2.696 4.650 7.678 1.00 1.09 C ATOM 292 OE1 GLN A 18 2.010 5.627 7.902 1.00 1.76 O ATOM 293 NE2 GLN A 18 3.948 4.797 7.337 1.00 1.82 N ATOM 0 H GLN A 18 -0.372 2.297 6.700 1.00 0.32 H new ATOM 0 HA GLN A 18 0.988 1.151 8.973 1.00 0.36 H new ATOM 0 HB2 GLN A 18 0.127 3.986 8.223 1.00 0.44 H new ATOM 0 HB3 GLN A 18 1.079 3.627 9.650 1.00 0.44 H new ATOM 0 HG2 GLN A 18 2.842 2.566 8.234 1.00 0.51 H new ATOM 0 HG3 GLN A 18 1.881 2.852 6.797 1.00 0.51 H new ATOM 0 HE21 GLN A 18 4.525 3.977 7.149 1.00 1.82 H new ATOM 0 HE22 GLN A 18 4.349 5.732 7.259 1.00 1.82 H new ATOM 302 N ASN A 19 -2.045 2.346 9.420 1.00 0.37 N ATOM 303 CA ASN A 19 -3.164 2.371 10.401 1.00 0.42 C ATOM 304 C ASN A 19 -3.775 0.974 10.543 1.00 0.43 C ATOM 305 O ASN A 19 -4.581 0.727 11.417 1.00 0.58 O ATOM 306 CB ASN A 19 -4.227 3.361 9.922 1.00 0.51 C ATOM 307 CG ASN A 19 -3.678 4.785 10.050 1.00 0.84 C ATOM 308 OD1 ASN A 19 -3.617 5.329 11.134 1.00 1.67 O ATOM 309 ND2 ASN A 19 -3.261 5.411 8.983 1.00 1.28 N ATOM 0 H ASN A 19 -2.267 2.728 8.501 1.00 0.37 H new ATOM 0 HA ASN A 19 -2.785 2.683 11.374 1.00 0.42 H new ATOM 0 HB2 ASN A 19 -4.495 3.153 8.886 1.00 0.51 H new ATOM 0 HB3 ASN A 19 -5.136 3.253 10.514 1.00 0.51 H new ATOM 0 HD21 ASN A 19 -2.885 6.356 9.060 1.00 1.28 H new ATOM 0 HD22 ASN A 19 -3.312 4.955 8.072 1.00 1.28 H new ATOM 316 N ALA A 20 -3.401 0.057 9.692 1.00 0.39 N ATOM 317 CA ALA A 20 -3.966 -1.319 9.787 1.00 0.47 C ATOM 318 C ALA A 20 -3.238 -2.096 10.896 1.00 0.53 C ATOM 319 O ALA A 20 -2.029 -2.022 10.991 1.00 0.63 O ATOM 320 CB ALA A 20 -3.749 -2.041 8.455 1.00 0.49 C ATOM 0 H ALA A 20 -2.730 0.201 8.937 1.00 0.39 H new ATOM 0 HA ALA A 20 -5.030 -1.261 10.015 1.00 0.47 H new ATOM 0 HB1 ALA A 20 -4.160 -3.049 8.516 1.00 0.49 H new ATOM 0 HB2 ALA A 20 -4.251 -1.492 7.658 1.00 0.49 H new ATOM 0 HB3 ALA A 20 -2.682 -2.097 8.241 1.00 0.49 H new ATOM 326 N PRO A 21 -3.937 -2.852 11.717 1.00 0.71 N ATOM 327 CA PRO A 21 -3.289 -3.649 12.797 1.00 0.87 C ATOM 328 C PRO A 21 -1.979 -4.270 12.305 1.00 0.80 C ATOM 329 O PRO A 21 -0.903 -3.921 12.750 1.00 1.04 O ATOM 330 CB PRO A 21 -4.329 -4.730 13.099 1.00 1.10 C ATOM 331 CG PRO A 21 -5.644 -4.067 12.840 1.00 1.29 C ATOM 332 CD PRO A 21 -5.402 -3.039 11.724 1.00 0.94 C ATOM 0 HA PRO A 21 -3.023 -3.054 13.671 1.00 0.87 H new ATOM 0 HB2 PRO A 21 -4.192 -5.602 12.460 1.00 1.10 H new ATOM 0 HB3 PRO A 21 -4.255 -5.075 14.130 1.00 1.10 H new ATOM 0 HG2 PRO A 21 -6.394 -4.798 12.538 1.00 1.29 H new ATOM 0 HG3 PRO A 21 -6.017 -3.581 13.741 1.00 1.29 H new ATOM 0 HD2 PRO A 21 -5.762 -3.403 10.762 1.00 0.94 H new ATOM 0 HD3 PRO A 21 -5.922 -2.103 11.925 1.00 0.94 H new ATOM 340 N GLU A 22 -2.071 -5.164 11.359 1.00 0.72 N ATOM 341 CA GLU A 22 -0.850 -5.795 10.784 1.00 0.83 C ATOM 342 C GLU A 22 -0.540 -5.089 9.465 1.00 0.80 C ATOM 343 O GLU A 22 -1.430 -4.789 8.693 1.00 1.16 O ATOM 344 CB GLU A 22 -1.114 -7.280 10.522 1.00 0.98 C ATOM 345 CG GLU A 22 -1.222 -8.024 11.855 1.00 1.51 C ATOM 346 CD GLU A 22 -1.485 -9.508 11.592 1.00 2.01 C ATOM 347 OE1 GLU A 22 -1.754 -9.849 10.453 1.00 2.63 O ATOM 348 OE2 GLU A 22 -1.411 -10.279 12.536 1.00 2.51 O ATOM 0 H GLU A 22 -2.950 -5.487 10.956 1.00 0.72 H new ATOM 0 HA GLU A 22 -0.011 -5.705 11.474 1.00 0.83 H new ATOM 0 HB2 GLU A 22 -2.034 -7.401 9.951 1.00 0.98 H new ATOM 0 HB3 GLU A 22 -0.308 -7.703 9.922 1.00 0.98 H new ATOM 0 HG2 GLU A 22 -0.302 -7.903 12.427 1.00 1.51 H new ATOM 0 HG3 GLU A 22 -2.028 -7.602 12.455 1.00 1.51 H new ATOM 355 N LYS A 23 0.701 -4.799 9.198 1.00 0.66 N ATOM 356 CA LYS A 23 1.029 -4.096 7.928 1.00 0.68 C ATOM 357 C LYS A 23 0.629 -4.979 6.747 1.00 0.56 C ATOM 358 O LYS A 23 0.304 -4.497 5.680 1.00 0.59 O ATOM 359 CB LYS A 23 2.524 -3.788 7.865 1.00 0.84 C ATOM 360 CG LYS A 23 2.860 -2.703 8.892 1.00 0.96 C ATOM 361 CD LYS A 23 4.328 -2.305 8.747 1.00 0.79 C ATOM 362 CE LYS A 23 4.703 -1.313 9.852 1.00 1.23 C ATOM 363 NZ LYS A 23 3.731 -0.183 9.859 1.00 2.02 N ATOM 0 H LYS A 23 1.497 -5.016 9.798 1.00 0.66 H new ATOM 0 HA LYS A 23 0.479 -3.156 7.885 1.00 0.68 H new ATOM 0 HB2 LYS A 23 3.102 -4.690 8.069 1.00 0.84 H new ATOM 0 HB3 LYS A 23 2.797 -3.454 6.864 1.00 0.84 H new ATOM 0 HG2 LYS A 23 2.220 -1.834 8.742 1.00 0.96 H new ATOM 0 HG3 LYS A 23 2.669 -3.070 9.901 1.00 0.96 H new ATOM 0 HD2 LYS A 23 4.963 -3.189 8.807 1.00 0.79 H new ATOM 0 HD3 LYS A 23 4.499 -1.856 7.768 1.00 0.79 H new ATOM 0 HE2 LYS A 23 4.701 -1.814 10.820 1.00 1.23 H new ATOM 0 HE3 LYS A 23 5.713 -0.937 9.690 1.00 1.23 H new ATOM 0 HZ1 LYS A 23 4.144 0.627 10.363 1.00 2.02 H new ATOM 0 HZ2 LYS A 23 3.512 0.093 8.880 1.00 2.02 H new ATOM 0 HZ3 LYS A 23 2.857 -0.480 10.339 1.00 2.02 H new ATOM 377 N LYS A 24 0.647 -6.271 6.926 1.00 0.49 N ATOM 378 CA LYS A 24 0.261 -7.178 5.811 1.00 0.43 C ATOM 379 C LYS A 24 -1.266 -7.228 5.730 1.00 0.44 C ATOM 380 O LYS A 24 -1.914 -7.941 6.469 1.00 0.75 O ATOM 381 CB LYS A 24 0.805 -8.584 6.083 1.00 0.41 C ATOM 382 CG LYS A 24 2.333 -8.535 6.157 1.00 0.45 C ATOM 383 CD LYS A 24 2.872 -9.940 6.428 1.00 0.50 C ATOM 384 CE LYS A 24 4.399 -9.896 6.503 1.00 0.59 C ATOM 385 NZ LYS A 24 4.936 -11.286 6.535 1.00 1.55 N ATOM 0 H LYS A 24 0.912 -6.736 7.794 1.00 0.49 H new ATOM 0 HA LYS A 24 0.674 -6.811 4.871 1.00 0.43 H new ATOM 0 HB2 LYS A 24 0.397 -8.969 7.018 1.00 0.41 H new ATOM 0 HB3 LYS A 24 0.490 -9.266 5.293 1.00 0.41 H new ATOM 0 HG2 LYS A 24 2.741 -8.151 5.222 1.00 0.45 H new ATOM 0 HG3 LYS A 24 2.648 -7.854 6.947 1.00 0.45 H new ATOM 0 HD2 LYS A 24 2.463 -10.324 7.362 1.00 0.50 H new ATOM 0 HD3 LYS A 24 2.556 -10.621 5.638 1.00 0.50 H new ATOM 0 HE2 LYS A 24 4.801 -9.360 5.643 1.00 0.59 H new ATOM 0 HE3 LYS A 24 4.714 -9.352 7.394 1.00 0.59 H new ATOM 0 HZ1 LYS A 24 5.974 -11.256 6.586 1.00 1.55 H new ATOM 0 HZ2 LYS A 24 4.563 -11.783 7.369 1.00 1.55 H new ATOM 0 HZ3 LYS A 24 4.646 -11.790 5.673 1.00 1.55 H new ATOM 399 N ILE A 25 -1.840 -6.460 4.838 1.00 0.35 N ATOM 400 CA ILE A 25 -3.326 -6.425 4.685 1.00 0.34 C ATOM 401 C ILE A 25 -3.697 -6.861 3.269 1.00 0.31 C ATOM 402 O ILE A 25 -2.949 -6.665 2.332 1.00 0.33 O ATOM 403 CB ILE A 25 -3.824 -4.997 4.928 1.00 0.38 C ATOM 404 CG1 ILE A 25 -5.347 -4.954 4.786 1.00 0.39 C ATOM 405 CG2 ILE A 25 -3.190 -4.051 3.907 1.00 0.38 C ATOM 406 CD1 ILE A 25 -5.858 -3.567 5.176 1.00 0.47 C ATOM 0 H ILE A 25 -1.333 -5.847 4.200 1.00 0.35 H new ATOM 0 HA ILE A 25 -3.788 -7.100 5.406 1.00 0.34 H new ATOM 0 HB ILE A 25 -3.544 -4.684 5.934 1.00 0.38 H new ATOM 0 HG12 ILE A 25 -5.634 -5.183 3.760 1.00 0.39 H new ATOM 0 HG13 ILE A 25 -5.803 -5.713 5.421 1.00 0.39 H new ATOM 0 HG21 ILE A 25 -3.546 -3.036 4.082 1.00 0.38 H new ATOM 0 HG22 ILE A 25 -2.105 -4.078 4.010 1.00 0.38 H new ATOM 0 HG23 ILE A 25 -3.467 -4.364 2.900 1.00 0.38 H new ATOM 0 HD11 ILE A 25 -6.943 -3.537 5.075 1.00 0.47 H new ATOM 0 HD12 ILE A 25 -5.584 -3.356 6.210 1.00 0.47 H new ATOM 0 HD13 ILE A 25 -5.412 -2.818 4.522 1.00 0.47 H new ATOM 418 N THR A 26 -4.842 -7.463 3.108 1.00 0.30 N ATOM 419 CA THR A 26 -5.259 -7.929 1.755 1.00 0.31 C ATOM 420 C THR A 26 -5.815 -6.759 0.939 1.00 0.28 C ATOM 421 O THR A 26 -6.183 -5.730 1.470 1.00 0.27 O ATOM 422 CB THR A 26 -6.333 -9.010 1.902 1.00 0.37 C ATOM 423 OG1 THR A 26 -7.413 -8.501 2.673 1.00 0.76 O ATOM 424 CG2 THR A 26 -5.734 -10.234 2.599 1.00 0.81 C ATOM 0 H THR A 26 -5.509 -7.653 3.856 1.00 0.30 H new ATOM 0 HA THR A 26 -4.393 -8.338 1.235 1.00 0.31 H new ATOM 0 HB THR A 26 -6.697 -9.299 0.916 1.00 0.37 H new ATOM 0 HG1 THR A 26 -8.102 -9.191 2.766 1.00 0.76 H new ATOM 0 HG21 THR A 26 -6.499 -11.004 2.704 1.00 0.81 H new ATOM 0 HG22 THR A 26 -4.907 -10.623 2.005 1.00 0.81 H new ATOM 0 HG23 THR A 26 -5.369 -9.949 3.586 1.00 0.81 H new ATOM 432 N LEU A 27 -5.871 -6.921 -0.355 1.00 0.31 N ATOM 433 CA LEU A 27 -6.393 -5.842 -1.239 1.00 0.34 C ATOM 434 C LEU A 27 -7.842 -5.538 -0.840 1.00 0.30 C ATOM 435 O LEU A 27 -8.231 -4.398 -0.659 1.00 0.31 O ATOM 436 CB LEU A 27 -6.329 -6.348 -2.683 1.00 0.44 C ATOM 437 CG LEU A 27 -6.712 -5.243 -3.673 1.00 0.47 C ATOM 438 CD1 LEU A 27 -5.712 -4.075 -3.572 1.00 0.70 C ATOM 439 CD2 LEU A 27 -6.688 -5.826 -5.090 1.00 0.68 C ATOM 0 H LEU A 27 -5.573 -7.766 -0.842 1.00 0.31 H new ATOM 0 HA LEU A 27 -5.804 -4.930 -1.144 1.00 0.34 H new ATOM 0 HB2 LEU A 27 -5.322 -6.704 -2.902 1.00 0.44 H new ATOM 0 HB3 LEU A 27 -7.001 -7.198 -2.804 1.00 0.44 H new ATOM 0 HG LEU A 27 -7.709 -4.868 -3.441 1.00 0.47 H new ATOM 0 HD11 LEU A 27 -5.992 -3.294 -4.279 1.00 0.70 H new ATOM 0 HD12 LEU A 27 -5.726 -3.670 -2.560 1.00 0.70 H new ATOM 0 HD13 LEU A 27 -4.709 -4.433 -3.805 1.00 0.70 H new ATOM 0 HD21 LEU A 27 -6.959 -5.051 -5.807 1.00 0.68 H new ATOM 0 HD22 LEU A 27 -5.687 -6.195 -5.315 1.00 0.68 H new ATOM 0 HD23 LEU A 27 -7.401 -6.648 -5.157 1.00 0.68 H new ATOM 451 N ASN A 28 -8.632 -6.562 -0.678 1.00 0.30 N ATOM 452 CA ASN A 28 -10.052 -6.367 -0.264 1.00 0.31 C ATOM 453 C ASN A 28 -10.081 -5.658 1.091 1.00 0.29 C ATOM 454 O ASN A 28 -10.908 -4.803 1.342 1.00 0.32 O ATOM 455 CB ASN A 28 -10.741 -7.730 -0.144 1.00 0.36 C ATOM 456 CG ASN A 28 -11.082 -8.260 -1.539 1.00 0.43 C ATOM 457 OD1 ASN A 28 -11.608 -7.537 -2.363 1.00 1.07 O ATOM 458 ND2 ASN A 28 -10.807 -9.499 -1.840 1.00 1.25 N ATOM 0 H ASN A 28 -8.354 -7.534 -0.815 1.00 0.30 H new ATOM 0 HA ASN A 28 -10.575 -5.765 -1.007 1.00 0.31 H new ATOM 0 HB2 ASN A 28 -10.089 -8.434 0.374 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -11.649 -7.638 0.453 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -11.033 -9.861 -2.766 1.00 1.25 H new ATOM 0 HD22 ASN A 28 -10.366 -10.106 -1.149 1.00 1.25 H new ATOM 465 N GLY A 29 -9.191 -6.021 1.973 1.00 0.28 N ATOM 466 CA GLY A 29 -9.164 -5.392 3.324 1.00 0.29 C ATOM 467 C GLY A 29 -8.951 -3.880 3.214 1.00 0.28 C ATOM 468 O GLY A 29 -9.545 -3.113 3.946 1.00 0.29 O ATOM 0 H GLY A 29 -8.476 -6.731 1.815 1.00 0.28 H new ATOM 0 HA2 GLY A 29 -10.100 -5.595 3.844 1.00 0.29 H new ATOM 0 HA3 GLY A 29 -8.366 -5.834 3.920 1.00 0.29 H new ATOM 472 N ILE A 30 -8.106 -3.434 2.325 1.00 0.26 N ATOM 473 CA ILE A 30 -7.869 -1.966 2.212 1.00 0.27 C ATOM 474 C ILE A 30 -9.180 -1.250 1.869 1.00 0.27 C ATOM 475 O ILE A 30 -9.468 -0.193 2.393 1.00 0.29 O ATOM 476 CB ILE A 30 -6.831 -1.680 1.123 1.00 0.29 C ATOM 477 CG1 ILE A 30 -5.497 -2.324 1.514 1.00 0.32 C ATOM 478 CG2 ILE A 30 -6.644 -0.166 0.985 1.00 0.34 C ATOM 479 CD1 ILE A 30 -4.527 -2.261 0.332 1.00 0.35 C ATOM 0 H ILE A 30 -7.574 -4.016 1.678 1.00 0.26 H new ATOM 0 HA ILE A 30 -7.495 -1.598 3.168 1.00 0.27 H new ATOM 0 HB ILE A 30 -7.172 -2.093 0.174 1.00 0.29 H new ATOM 0 HG12 ILE A 30 -5.071 -1.807 2.374 1.00 0.32 H new ATOM 0 HG13 ILE A 30 -5.656 -3.361 1.811 1.00 0.32 H new ATOM 0 HG21 ILE A 30 -5.905 0.040 0.210 1.00 0.34 H new ATOM 0 HG22 ILE A 30 -7.594 0.295 0.713 1.00 0.34 H new ATOM 0 HG23 ILE A 30 -6.300 0.246 1.934 1.00 0.34 H new ATOM 0 HD11 ILE A 30 -3.579 -2.720 0.614 1.00 0.35 H new ATOM 0 HD12 ILE A 30 -4.952 -2.798 -0.516 1.00 0.35 H new ATOM 0 HD13 ILE A 30 -4.358 -1.220 0.055 1.00 0.35 H new ATOM 491 N TYR A 31 -9.976 -1.804 0.995 1.00 0.28 N ATOM 492 CA TYR A 31 -11.257 -1.124 0.639 1.00 0.30 C ATOM 493 C TYR A 31 -12.148 -0.999 1.878 1.00 0.30 C ATOM 494 O TYR A 31 -12.789 0.010 2.090 1.00 0.32 O ATOM 495 CB TYR A 31 -11.991 -1.934 -0.435 1.00 0.36 C ATOM 496 CG TYR A 31 -11.327 -1.710 -1.772 1.00 0.38 C ATOM 497 CD1 TYR A 31 -11.511 -0.498 -2.443 1.00 1.20 C ATOM 498 CD2 TYR A 31 -10.522 -2.705 -2.336 1.00 1.36 C ATOM 499 CE1 TYR A 31 -10.893 -0.281 -3.677 1.00 1.23 C ATOM 500 CE2 TYR A 31 -9.902 -2.489 -3.570 1.00 1.40 C ATOM 501 CZ TYR A 31 -10.088 -1.277 -4.242 1.00 0.58 C ATOM 502 OH TYR A 31 -9.473 -1.064 -5.457 1.00 0.72 O ATOM 0 H TYR A 31 -9.799 -2.687 0.516 1.00 0.28 H new ATOM 0 HA TYR A 31 -11.033 -0.128 0.256 1.00 0.30 H new ATOM 0 HB2 TYR A 31 -11.975 -2.994 -0.181 1.00 0.36 H new ATOM 0 HB3 TYR A 31 -13.038 -1.633 -0.481 1.00 0.36 H new ATOM 0 HD1 TYR A 31 -12.131 0.271 -2.007 1.00 1.20 H new ATOM 0 HD2 TYR A 31 -10.379 -3.641 -1.817 1.00 1.36 H new ATOM 0 HE1 TYR A 31 -11.036 0.656 -4.195 1.00 1.23 H new ATOM 0 HE2 TYR A 31 -9.280 -3.258 -4.004 1.00 1.40 H new ATOM 0 HH TYR A 31 -10.141 -0.785 -6.117 1.00 0.72 H new ATOM 512 N GLN A 32 -12.193 -2.012 2.698 1.00 0.31 N ATOM 513 CA GLN A 32 -13.046 -1.945 3.921 1.00 0.35 C ATOM 514 C GLN A 32 -12.597 -0.781 4.805 1.00 0.33 C ATOM 515 O GLN A 32 -13.402 -0.072 5.375 1.00 0.34 O ATOM 516 CB GLN A 32 -12.910 -3.256 4.697 1.00 0.41 C ATOM 517 CG GLN A 32 -13.776 -3.206 5.957 1.00 1.25 C ATOM 518 CD GLN A 32 -13.798 -4.589 6.612 1.00 1.79 C ATOM 519 OE1 GLN A 32 -13.389 -5.564 6.012 1.00 2.35 O ATOM 520 NE2 GLN A 32 -14.250 -4.714 7.830 1.00 2.51 N ATOM 0 H GLN A 32 -11.677 -2.883 2.576 1.00 0.31 H new ATOM 0 HA GLN A 32 -14.085 -1.792 3.631 1.00 0.35 H new ATOM 0 HB2 GLN A 32 -13.214 -4.094 4.069 1.00 0.41 H new ATOM 0 HB3 GLN A 32 -11.867 -3.422 4.968 1.00 0.41 H new ATOM 0 HG2 GLN A 32 -13.381 -2.467 6.654 1.00 1.25 H new ATOM 0 HG3 GLN A 32 -14.789 -2.895 5.703 1.00 1.25 H new ATOM 0 HE21 GLN A 32 -14.593 -3.896 8.333 1.00 2.51 H new ATOM 0 HE22 GLN A 32 -14.260 -5.630 8.279 1.00 2.51 H new ATOM 529 N PHE A 33 -11.315 -0.588 4.926 1.00 0.33 N ATOM 530 CA PHE A 33 -10.798 0.520 5.774 1.00 0.35 C ATOM 531 C PHE A 33 -11.304 1.875 5.265 1.00 0.32 C ATOM 532 O PHE A 33 -11.800 2.685 6.024 1.00 0.34 O ATOM 533 CB PHE A 33 -9.268 0.486 5.739 1.00 0.40 C ATOM 534 CG PHE A 33 -8.708 1.608 6.578 1.00 0.46 C ATOM 535 CD1 PHE A 33 -8.461 1.407 7.941 1.00 1.34 C ATOM 536 CD2 PHE A 33 -8.423 2.844 5.988 1.00 1.23 C ATOM 537 CE1 PHE A 33 -7.931 2.446 8.716 1.00 1.37 C ATOM 538 CE2 PHE A 33 -7.894 3.883 6.763 1.00 1.27 C ATOM 539 CZ PHE A 33 -7.648 3.684 8.126 1.00 0.63 C ATOM 0 H PHE A 33 -10.598 -1.154 4.471 1.00 0.33 H new ATOM 0 HA PHE A 33 -11.154 0.391 6.796 1.00 0.35 H new ATOM 0 HB2 PHE A 33 -8.909 -0.473 6.113 1.00 0.40 H new ATOM 0 HB3 PHE A 33 -8.917 0.579 4.711 1.00 0.40 H new ATOM 0 HD1 PHE A 33 -8.679 0.451 8.395 1.00 1.34 H new ATOM 0 HD2 PHE A 33 -8.611 2.997 4.935 1.00 1.23 H new ATOM 0 HE1 PHE A 33 -7.741 2.293 9.768 1.00 1.37 H new ATOM 0 HE2 PHE A 33 -7.676 4.838 6.309 1.00 1.27 H new ATOM 0 HZ PHE A 33 -7.240 4.486 8.723 1.00 0.63 H new ATOM 549 N ILE A 34 -11.164 2.139 3.995 1.00 0.28 N ATOM 550 CA ILE A 34 -11.615 3.451 3.441 1.00 0.27 C ATOM 551 C ILE A 34 -13.121 3.661 3.641 1.00 0.26 C ATOM 552 O ILE A 34 -13.555 4.701 4.095 1.00 0.27 O ATOM 553 CB ILE A 34 -11.302 3.488 1.942 1.00 0.27 C ATOM 554 CG1 ILE A 34 -9.785 3.483 1.748 1.00 0.32 C ATOM 555 CG2 ILE A 34 -11.898 4.755 1.315 1.00 0.29 C ATOM 556 CD1 ILE A 34 -9.461 3.252 0.273 1.00 0.59 C ATOM 0 H ILE A 34 -10.755 1.501 3.313 1.00 0.28 H new ATOM 0 HA ILE A 34 -11.088 4.245 3.970 1.00 0.27 H new ATOM 0 HB ILE A 34 -11.739 2.615 1.457 1.00 0.27 H new ATOM 0 HG12 ILE A 34 -9.362 4.431 2.080 1.00 0.32 H new ATOM 0 HG13 ILE A 34 -9.332 2.701 2.358 1.00 0.32 H new ATOM 0 HG21 ILE A 34 -11.671 4.775 0.249 1.00 0.29 H new ATOM 0 HG22 ILE A 34 -12.979 4.757 1.456 1.00 0.29 H new ATOM 0 HG23 ILE A 34 -11.468 5.635 1.794 1.00 0.29 H new ATOM 0 HD11 ILE A 34 -8.380 3.248 0.134 1.00 0.59 H new ATOM 0 HD12 ILE A 34 -9.871 2.293 -0.044 1.00 0.59 H new ATOM 0 HD13 ILE A 34 -9.901 4.050 -0.325 1.00 0.59 H new ATOM 568 N MET A 35 -13.923 2.699 3.274 1.00 0.27 N ATOM 569 CA MET A 35 -15.400 2.867 3.407 1.00 0.29 C ATOM 570 C MET A 35 -15.812 3.059 4.873 1.00 0.29 C ATOM 571 O MET A 35 -16.696 3.835 5.176 1.00 0.31 O ATOM 572 CB MET A 35 -16.104 1.634 2.834 1.00 0.37 C ATOM 573 CG MET A 35 -15.941 1.619 1.311 1.00 0.44 C ATOM 574 SD MET A 35 -16.882 0.239 0.613 1.00 0.69 S ATOM 575 CE MET A 35 -15.852 -1.107 1.246 1.00 0.47 C ATOM 0 H MET A 35 -13.621 1.805 2.888 1.00 0.27 H new ATOM 0 HA MET A 35 -15.694 3.759 2.854 1.00 0.29 H new ATOM 0 HB2 MET A 35 -15.681 0.727 3.265 1.00 0.37 H new ATOM 0 HB3 MET A 35 -17.161 1.650 3.098 1.00 0.37 H new ATOM 0 HG2 MET A 35 -16.290 2.561 0.888 1.00 0.44 H new ATOM 0 HG3 MET A 35 -14.887 1.523 1.049 1.00 0.44 H new ATOM 0 HE1 MET A 35 -16.107 -2.033 0.731 1.00 0.47 H new ATOM 0 HE2 MET A 35 -14.801 -0.873 1.073 1.00 0.47 H new ATOM 0 HE3 MET A 35 -16.026 -1.226 2.315 1.00 0.47 H new ATOM 585 N ASP A 36 -15.211 2.342 5.785 1.00 0.31 N ATOM 586 CA ASP A 36 -15.609 2.472 7.220 1.00 0.37 C ATOM 587 C ASP A 36 -15.328 3.875 7.771 1.00 0.38 C ATOM 588 O ASP A 36 -16.185 4.491 8.370 1.00 0.45 O ATOM 589 CB ASP A 36 -14.834 1.448 8.057 1.00 0.43 C ATOM 590 CG ASP A 36 -15.371 0.041 7.787 1.00 0.51 C ATOM 591 OD1 ASP A 36 -16.504 -0.068 7.350 1.00 1.12 O ATOM 592 OD2 ASP A 36 -14.637 -0.904 8.024 1.00 1.17 O ATOM 0 H ASP A 36 -14.463 1.673 5.601 1.00 0.31 H new ATOM 0 HA ASP A 36 -16.682 2.292 7.281 1.00 0.37 H new ATOM 0 HB2 ASP A 36 -13.773 1.495 7.813 1.00 0.43 H new ATOM 0 HB3 ASP A 36 -14.928 1.685 9.117 1.00 0.43 H new ATOM 597 N ARG A 37 -14.134 4.377 7.613 1.00 0.39 N ATOM 598 CA ARG A 37 -13.822 5.723 8.175 1.00 0.46 C ATOM 599 C ARG A 37 -14.456 6.835 7.336 1.00 0.45 C ATOM 600 O ARG A 37 -14.704 7.916 7.832 1.00 0.59 O ATOM 601 CB ARG A 37 -12.305 5.916 8.252 1.00 0.53 C ATOM 602 CG ARG A 37 -11.731 4.928 9.271 1.00 1.16 C ATOM 603 CD ARG A 37 -10.269 5.268 9.567 1.00 1.28 C ATOM 604 NE ARG A 37 -10.201 6.559 10.306 1.00 1.77 N ATOM 605 CZ ARG A 37 -9.130 6.866 10.987 1.00 2.16 C ATOM 606 NH1 ARG A 37 -8.133 6.026 11.051 1.00 2.31 N ATOM 607 NH2 ARG A 37 -9.063 8.008 11.613 1.00 3.00 N ATOM 0 H ARG A 37 -13.366 3.918 7.123 1.00 0.39 H new ATOM 0 HA ARG A 37 -14.243 5.780 9.179 1.00 0.46 H new ATOM 0 HB2 ARG A 37 -11.854 5.753 7.273 1.00 0.53 H new ATOM 0 HB3 ARG A 37 -12.069 6.939 8.545 1.00 0.53 H new ATOM 0 HG2 ARG A 37 -12.314 4.963 10.191 1.00 1.16 H new ATOM 0 HG3 ARG A 37 -11.805 3.911 8.885 1.00 1.16 H new ATOM 0 HD2 ARG A 37 -9.812 4.474 10.157 1.00 1.28 H new ATOM 0 HD3 ARG A 37 -9.705 5.339 8.637 1.00 1.28 H new ATOM 0 HE ARG A 37 -10.991 7.204 10.280 1.00 1.77 H new ATOM 0 HH11 ARG A 37 -8.190 5.129 10.569 1.00 2.31 H new ATOM 0 HH12 ARG A 37 -7.297 6.267 11.583 1.00 2.31 H new ATOM 0 HH21 ARG A 37 -9.846 8.660 11.570 1.00 3.00 H new ATOM 0 HH22 ARG A 37 -8.227 8.249 12.145 1.00 3.00 H new ATOM 621 N PHE A 38 -14.716 6.591 6.077 1.00 0.40 N ATOM 622 CA PHE A 38 -15.330 7.647 5.212 1.00 0.41 C ATOM 623 C PHE A 38 -16.540 7.070 4.470 1.00 0.39 C ATOM 624 O PHE A 38 -16.469 6.763 3.296 1.00 0.51 O ATOM 625 CB PHE A 38 -14.288 8.136 4.202 1.00 0.43 C ATOM 626 CG PHE A 38 -13.054 8.589 4.946 1.00 0.54 C ATOM 627 CD1 PHE A 38 -13.028 9.843 5.567 1.00 1.21 C ATOM 628 CD2 PHE A 38 -11.935 7.749 5.019 1.00 1.47 C ATOM 629 CE1 PHE A 38 -11.884 10.258 6.261 1.00 1.27 C ATOM 630 CE2 PHE A 38 -10.792 8.164 5.711 1.00 1.54 C ATOM 631 CZ PHE A 38 -10.767 9.418 6.332 1.00 0.82 C ATOM 0 H PHE A 38 -14.530 5.704 5.608 1.00 0.40 H new ATOM 0 HA PHE A 38 -15.659 8.481 5.831 1.00 0.41 H new ATOM 0 HB2 PHE A 38 -14.035 7.337 3.506 1.00 0.43 H new ATOM 0 HB3 PHE A 38 -14.693 8.957 3.611 1.00 0.43 H new ATOM 0 HD1 PHE A 38 -13.890 10.491 5.511 1.00 1.21 H new ATOM 0 HD2 PHE A 38 -11.955 6.781 4.541 1.00 1.47 H new ATOM 0 HE1 PHE A 38 -11.864 11.225 6.741 1.00 1.27 H new ATOM 0 HE2 PHE A 38 -9.929 7.517 5.766 1.00 1.54 H new ATOM 0 HZ PHE A 38 -9.885 9.738 6.867 1.00 0.82 H new ATOM 641 N PRO A 39 -17.650 6.936 5.152 1.00 0.53 N ATOM 642 CA PRO A 39 -18.907 6.400 4.551 1.00 0.55 C ATOM 643 C PRO A 39 -19.244 7.107 3.235 1.00 0.47 C ATOM 644 O PRO A 39 -20.152 6.730 2.523 1.00 0.47 O ATOM 645 CB PRO A 39 -19.969 6.684 5.622 1.00 0.70 C ATOM 646 CG PRO A 39 -19.211 6.713 6.910 1.00 1.21 C ATOM 647 CD PRO A 39 -17.830 7.280 6.573 1.00 0.88 C ATOM 0 HA PRO A 39 -18.833 5.342 4.297 1.00 0.55 H new ATOM 0 HB2 PRO A 39 -20.473 7.633 5.438 1.00 0.70 H new ATOM 0 HB3 PRO A 39 -20.738 5.911 5.632 1.00 0.70 H new ATOM 0 HG2 PRO A 39 -19.719 7.334 7.648 1.00 1.21 H new ATOM 0 HG3 PRO A 39 -19.129 5.714 7.337 1.00 1.21 H new ATOM 0 HD2 PRO A 39 -17.789 8.357 6.733 1.00 0.88 H new ATOM 0 HD3 PRO A 39 -17.052 6.836 7.194 1.00 0.88 H new ATOM 655 N PHE A 40 -18.509 8.132 2.912 1.00 0.44 N ATOM 656 CA PHE A 40 -18.760 8.874 1.648 1.00 0.42 C ATOM 657 C PHE A 40 -18.599 7.918 0.461 1.00 0.34 C ATOM 658 O PHE A 40 -19.348 7.964 -0.495 1.00 0.36 O ATOM 659 CB PHE A 40 -17.747 10.024 1.555 1.00 0.48 C ATOM 660 CG PHE A 40 -17.645 10.537 0.134 1.00 1.33 C ATOM 661 CD1 PHE A 40 -18.782 11.040 -0.511 1.00 2.20 C ATOM 662 CD2 PHE A 40 -16.413 10.508 -0.537 1.00 2.34 C ATOM 663 CE1 PHE A 40 -18.690 11.514 -1.824 1.00 3.29 C ATOM 664 CE2 PHE A 40 -16.323 10.984 -1.852 1.00 3.41 C ATOM 665 CZ PHE A 40 -17.461 11.487 -2.495 1.00 3.74 C ATOM 0 H PHE A 40 -17.738 8.491 3.475 1.00 0.44 H new ATOM 0 HA PHE A 40 -19.772 9.279 1.632 1.00 0.42 H new ATOM 0 HB2 PHE A 40 -18.048 10.835 2.218 1.00 0.48 H new ATOM 0 HB3 PHE A 40 -16.769 9.682 1.894 1.00 0.48 H new ATOM 0 HD1 PHE A 40 -19.730 11.062 0.006 1.00 2.20 H new ATOM 0 HD2 PHE A 40 -15.536 10.120 -0.041 1.00 2.34 H new ATOM 0 HE1 PHE A 40 -19.567 11.901 -2.321 1.00 3.29 H new ATOM 0 HE2 PHE A 40 -15.376 10.963 -2.370 1.00 3.41 H new ATOM 0 HZ PHE A 40 -17.391 11.854 -3.508 1.00 3.74 H new ATOM 675 N TYR A 41 -17.617 7.063 0.512 1.00 0.27 N ATOM 676 CA TYR A 41 -17.390 6.113 -0.612 1.00 0.25 C ATOM 677 C TYR A 41 -18.506 5.066 -0.661 1.00 0.29 C ATOM 678 O TYR A 41 -18.776 4.490 -1.696 1.00 0.35 O ATOM 679 CB TYR A 41 -16.034 5.440 -0.435 1.00 0.23 C ATOM 680 CG TYR A 41 -14.964 6.489 -0.609 1.00 0.25 C ATOM 681 CD1 TYR A 41 -14.543 7.228 0.496 1.00 1.10 C ATOM 682 CD2 TYR A 41 -14.411 6.738 -1.871 1.00 1.04 C ATOM 683 CE1 TYR A 41 -13.565 8.215 0.350 1.00 1.12 C ATOM 684 CE2 TYR A 41 -13.432 7.724 -2.023 1.00 1.05 C ATOM 685 CZ TYR A 41 -13.007 8.465 -0.912 1.00 0.34 C ATOM 686 OH TYR A 41 -12.039 9.438 -1.059 1.00 0.40 O ATOM 0 H TYR A 41 -16.959 6.981 1.287 1.00 0.27 H new ATOM 0 HA TYR A 41 -17.399 6.661 -1.554 1.00 0.25 H new ATOM 0 HB2 TYR A 41 -15.962 4.983 0.552 1.00 0.23 H new ATOM 0 HB3 TYR A 41 -15.907 4.642 -1.166 1.00 0.23 H new ATOM 0 HD1 TYR A 41 -14.974 7.037 1.468 1.00 1.10 H new ATOM 0 HD2 TYR A 41 -14.741 6.168 -2.727 1.00 1.04 H new ATOM 0 HE1 TYR A 41 -13.239 8.785 1.208 1.00 1.12 H new ATOM 0 HE2 TYR A 41 -13.003 7.915 -2.996 1.00 1.05 H new ATOM 0 HH TYR A 41 -11.759 9.482 -1.997 1.00 0.40 H new ATOM 696 N ARG A 42 -19.163 4.814 0.440 1.00 0.33 N ATOM 697 CA ARG A 42 -20.259 3.806 0.418 1.00 0.42 C ATOM 698 C ARG A 42 -21.327 4.258 -0.578 1.00 0.44 C ATOM 699 O ARG A 42 -21.908 3.459 -1.286 1.00 0.53 O ATOM 700 CB ARG A 42 -20.884 3.656 1.810 1.00 0.50 C ATOM 701 CG ARG A 42 -19.900 2.945 2.741 1.00 0.58 C ATOM 702 CD ARG A 42 -20.531 2.790 4.128 1.00 0.63 C ATOM 703 NE ARG A 42 -19.577 2.082 5.041 1.00 1.26 N ATOM 704 CZ ARG A 42 -19.146 0.877 4.781 1.00 1.66 C ATOM 705 NH1 ARG A 42 -19.667 0.185 3.805 1.00 1.95 N ATOM 706 NH2 ARG A 42 -18.221 0.342 5.530 1.00 2.51 N ATOM 0 H ARG A 42 -18.990 5.257 1.342 1.00 0.33 H new ATOM 0 HA ARG A 42 -19.850 2.841 0.119 1.00 0.42 H new ATOM 0 HB2 ARG A 42 -21.138 4.636 2.213 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -21.812 3.088 1.744 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -19.642 1.967 2.336 1.00 0.58 H new ATOM 0 HG3 ARG A 42 -18.974 3.515 2.813 1.00 0.58 H new ATOM 0 HD2 ARG A 42 -20.781 3.769 4.536 1.00 0.63 H new ATOM 0 HD3 ARG A 42 -21.462 2.229 4.054 1.00 0.63 H new ATOM 0 HE ARG A 42 -19.256 2.553 5.887 1.00 1.26 H new ATOM 0 HH11 ARG A 42 -20.416 0.585 3.239 1.00 1.95 H new ATOM 0 HH12 ARG A 42 -19.325 -0.756 3.608 1.00 1.95 H new ATOM 0 HH21 ARG A 42 -17.836 0.865 6.317 1.00 2.51 H new ATOM 0 HH22 ARG A 42 -17.883 -0.599 5.329 1.00 2.51 H new ATOM 720 N GLU A 43 -21.590 5.536 -0.641 1.00 0.42 N ATOM 721 CA GLU A 43 -22.619 6.044 -1.593 1.00 0.48 C ATOM 722 C GLU A 43 -21.971 6.280 -2.959 1.00 0.45 C ATOM 723 O GLU A 43 -22.566 6.849 -3.852 1.00 0.66 O ATOM 724 CB GLU A 43 -23.191 7.366 -1.074 1.00 0.62 C ATOM 725 CG GLU A 43 -23.816 7.159 0.309 1.00 1.27 C ATOM 726 CD GLU A 43 -24.956 6.142 0.216 1.00 1.75 C ATOM 727 OE1 GLU A 43 -25.897 6.399 -0.516 1.00 2.28 O ATOM 728 OE2 GLU A 43 -24.867 5.122 0.882 1.00 2.34 O ATOM 0 H GLU A 43 -21.136 6.251 -0.073 1.00 0.42 H new ATOM 0 HA GLU A 43 -23.420 5.311 -1.685 1.00 0.48 H new ATOM 0 HB2 GLU A 43 -22.402 8.116 -1.017 1.00 0.62 H new ATOM 0 HB3 GLU A 43 -23.941 7.745 -1.768 1.00 0.62 H new ATOM 0 HG2 GLU A 43 -23.060 6.808 1.011 1.00 1.27 H new ATOM 0 HG3 GLU A 43 -24.192 8.107 0.694 1.00 1.27 H new ATOM 735 N ASN A 44 -20.749 5.846 -3.123 1.00 0.44 N ATOM 736 CA ASN A 44 -20.037 6.037 -4.424 1.00 0.43 C ATOM 737 C ASN A 44 -19.265 4.764 -4.773 1.00 0.37 C ATOM 738 O ASN A 44 -18.404 4.333 -4.033 1.00 0.47 O ATOM 739 CB ASN A 44 -19.049 7.199 -4.296 1.00 0.54 C ATOM 740 CG ASN A 44 -18.526 7.593 -5.677 1.00 1.30 C ATOM 741 OD1 ASN A 44 -17.760 8.528 -5.805 1.00 2.01 O ATOM 742 ND2 ASN A 44 -18.902 6.913 -6.725 1.00 1.97 N ATOM 0 H ASN A 44 -20.208 5.363 -2.406 1.00 0.44 H new ATOM 0 HA ASN A 44 -20.764 6.254 -5.206 1.00 0.43 H new ATOM 0 HB2 ASN A 44 -19.537 8.052 -3.826 1.00 0.54 H new ATOM 0 HB3 ASN A 44 -18.218 6.912 -3.651 1.00 0.54 H new ATOM 0 HD21 ASN A 44 -18.553 7.166 -7.649 1.00 1.97 H new ATOM 0 HD22 ASN A 44 -19.545 6.128 -6.620 1.00 1.97 H new ATOM 749 N LYS A 45 -19.566 4.163 -5.894 1.00 0.49 N ATOM 750 CA LYS A 45 -18.858 2.918 -6.321 1.00 0.61 C ATOM 751 C LYS A 45 -18.179 3.180 -7.667 1.00 0.71 C ATOM 752 O LYS A 45 -17.762 2.271 -8.357 1.00 0.97 O ATOM 753 CB LYS A 45 -19.883 1.799 -6.483 1.00 0.76 C ATOM 754 CG LYS A 45 -20.545 1.508 -5.133 1.00 0.74 C ATOM 755 CD LYS A 45 -21.572 0.386 -5.298 1.00 0.93 C ATOM 756 CE LYS A 45 -22.285 0.138 -3.966 1.00 1.11 C ATOM 757 NZ LYS A 45 -21.345 -0.498 -3.001 1.00 1.68 N ATOM 0 H LYS A 45 -20.284 4.487 -6.542 1.00 0.49 H new ATOM 0 HA LYS A 45 -18.114 2.630 -5.578 1.00 0.61 H new ATOM 0 HB2 LYS A 45 -20.638 2.087 -7.215 1.00 0.76 H new ATOM 0 HB3 LYS A 45 -19.398 0.900 -6.863 1.00 0.76 H new ATOM 0 HG2 LYS A 45 -19.791 1.220 -4.401 1.00 0.74 H new ATOM 0 HG3 LYS A 45 -21.031 2.407 -4.753 1.00 0.74 H new ATOM 0 HD2 LYS A 45 -22.298 0.655 -6.065 1.00 0.93 H new ATOM 0 HD3 LYS A 45 -21.078 -0.526 -5.632 1.00 0.93 H new ATOM 0 HE2 LYS A 45 -22.655 1.080 -3.560 1.00 1.11 H new ATOM 0 HE3 LYS A 45 -23.152 -0.505 -4.121 1.00 1.11 H new ATOM 0 HZ1 LYS A 45 -21.874 -0.833 -2.171 1.00 1.68 H new ATOM 0 HZ2 LYS A 45 -20.871 -1.303 -3.458 1.00 1.68 H new ATOM 0 HZ3 LYS A 45 -20.633 0.198 -2.700 1.00 1.68 H new ATOM 771 N GLN A 46 -18.097 4.422 -8.054 1.00 0.95 N ATOM 772 CA GLN A 46 -17.480 4.769 -9.366 1.00 1.12 C ATOM 773 C GLN A 46 -16.022 4.303 -9.440 1.00 0.71 C ATOM 774 O GLN A 46 -15.549 3.535 -8.626 1.00 1.16 O ATOM 775 CB GLN A 46 -17.554 6.282 -9.587 1.00 1.90 C ATOM 776 CG GLN A 46 -19.010 6.690 -9.830 1.00 2.64 C ATOM 777 CD GLN A 46 -19.093 8.202 -10.052 1.00 3.38 C ATOM 778 OE1 GLN A 46 -20.056 8.694 -10.607 1.00 3.81 O ATOM 779 NE2 GLN A 46 -18.118 8.965 -9.642 1.00 3.98 N ATOM 0 H GLN A 46 -18.434 5.219 -7.513 1.00 0.95 H new ATOM 0 HA GLN A 46 -18.037 4.255 -10.149 1.00 1.12 H new ATOM 0 HB2 GLN A 46 -17.158 6.807 -8.718 1.00 1.90 H new ATOM 0 HB3 GLN A 46 -16.938 6.567 -10.440 1.00 1.90 H new ATOM 0 HG2 GLN A 46 -19.405 6.163 -10.699 1.00 2.64 H new ATOM 0 HG3 GLN A 46 -19.625 6.404 -8.977 1.00 2.64 H new ATOM 0 HE21 GLN A 46 -17.309 8.553 -9.176 1.00 3.98 H new ATOM 0 HE22 GLN A 46 -18.164 9.974 -9.787 1.00 3.98 H new ATOM 788 N GLY A 47 -15.328 4.753 -10.450 1.00 0.78 N ATOM 789 CA GLY A 47 -13.908 4.348 -10.671 1.00 0.73 C ATOM 790 C GLY A 47 -13.073 4.441 -9.392 1.00 0.54 C ATOM 791 O GLY A 47 -11.955 3.966 -9.353 1.00 0.64 O ATOM 0 H GLY A 47 -15.694 5.400 -11.148 1.00 0.78 H new ATOM 0 HA2 GLY A 47 -13.878 3.326 -11.048 1.00 0.73 H new ATOM 0 HA3 GLY A 47 -13.466 4.984 -11.438 1.00 0.73 H new ATOM 795 N TRP A 48 -13.570 5.039 -8.345 1.00 0.44 N ATOM 796 CA TRP A 48 -12.734 5.120 -7.114 1.00 0.33 C ATOM 797 C TRP A 48 -12.410 3.694 -6.661 1.00 0.31 C ATOM 798 O TRP A 48 -11.321 3.401 -6.213 1.00 0.37 O ATOM 799 CB TRP A 48 -13.476 5.898 -6.008 1.00 0.36 C ATOM 800 CG TRP A 48 -14.312 4.990 -5.154 1.00 0.35 C ATOM 801 CD1 TRP A 48 -15.644 4.811 -5.289 1.00 0.37 C ATOM 802 CD2 TRP A 48 -13.899 4.152 -4.032 1.00 0.35 C ATOM 803 NE1 TRP A 48 -16.076 3.917 -4.325 1.00 0.37 N ATOM 804 CE2 TRP A 48 -15.039 3.485 -3.522 1.00 0.36 C ATOM 805 CE3 TRP A 48 -12.660 3.911 -3.411 1.00 0.37 C ATOM 806 CZ2 TRP A 48 -14.952 2.611 -2.432 1.00 0.39 C ATOM 807 CZ3 TRP A 48 -12.569 3.034 -2.318 1.00 0.41 C ATOM 808 CH2 TRP A 48 -13.712 2.387 -1.829 1.00 0.42 C ATOM 0 H TRP A 48 -14.495 5.465 -8.286 1.00 0.44 H new ATOM 0 HA TRP A 48 -11.808 5.657 -7.322 1.00 0.33 H new ATOM 0 HB2 TRP A 48 -12.752 6.421 -5.383 1.00 0.36 H new ATOM 0 HB3 TRP A 48 -14.112 6.658 -6.462 1.00 0.36 H new ATOM 0 HD1 TRP A 48 -16.270 5.288 -6.029 1.00 0.37 H new ATOM 0 HE1 TRP A 48 -17.044 3.614 -4.220 1.00 0.37 H new ATOM 0 HE3 TRP A 48 -11.772 4.404 -3.778 1.00 0.37 H new ATOM 0 HZ2 TRP A 48 -15.836 2.114 -2.060 1.00 0.39 H new ATOM 0 HZ3 TRP A 48 -11.611 2.857 -1.851 1.00 0.41 H new ATOM 0 HH2 TRP A 48 -13.634 1.716 -0.987 1.00 0.42 H new ATOM 819 N GLN A 49 -13.360 2.812 -6.776 1.00 0.41 N ATOM 820 CA GLN A 49 -13.132 1.404 -6.352 1.00 0.47 C ATOM 821 C GLN A 49 -11.978 0.793 -7.158 1.00 0.37 C ATOM 822 O GLN A 49 -11.075 0.196 -6.610 1.00 0.38 O ATOM 823 CB GLN A 49 -14.409 0.601 -6.624 1.00 0.65 C ATOM 824 CG GLN A 49 -14.265 -0.826 -6.083 1.00 1.21 C ATOM 825 CD GLN A 49 -15.433 -1.676 -6.584 1.00 1.35 C ATOM 826 OE1 GLN A 49 -15.263 -2.503 -7.459 1.00 1.96 O ATOM 827 NE2 GLN A 49 -16.620 -1.507 -6.071 1.00 1.59 N ATOM 0 H GLN A 49 -14.290 3.006 -7.147 1.00 0.41 H new ATOM 0 HA GLN A 49 -12.880 1.378 -5.292 1.00 0.47 H new ATOM 0 HB2 GLN A 49 -15.262 1.091 -6.154 1.00 0.65 H new ATOM 0 HB3 GLN A 49 -14.608 0.573 -7.695 1.00 0.65 H new ATOM 0 HG2 GLN A 49 -13.319 -1.258 -6.410 1.00 1.21 H new ATOM 0 HG3 GLN A 49 -14.250 -0.814 -4.993 1.00 1.21 H new ATOM 0 HE21 GLN A 49 -16.764 -0.814 -5.337 1.00 1.59 H new ATOM 0 HE22 GLN A 49 -17.404 -2.068 -6.404 1.00 1.59 H new ATOM 836 N ASN A 50 -12.018 0.915 -8.456 1.00 0.37 N ATOM 837 CA ASN A 50 -10.945 0.321 -9.307 1.00 0.39 C ATOM 838 C ASN A 50 -9.663 1.160 -9.256 1.00 0.34 C ATOM 839 O ASN A 50 -8.568 0.641 -9.351 1.00 0.39 O ATOM 840 CB ASN A 50 -11.442 0.238 -10.752 1.00 0.53 C ATOM 841 CG ASN A 50 -12.500 -0.861 -10.863 1.00 0.63 C ATOM 842 OD1 ASN A 50 -12.198 -2.029 -10.713 1.00 1.25 O ATOM 843 ND2 ASN A 50 -13.739 -0.539 -11.118 1.00 1.28 N ATOM 0 H ASN A 50 -12.752 1.404 -8.968 1.00 0.37 H new ATOM 0 HA ASN A 50 -10.714 -0.674 -8.926 1.00 0.39 H new ATOM 0 HB2 ASN A 50 -11.863 1.195 -11.059 1.00 0.53 H new ATOM 0 HB3 ASN A 50 -10.610 0.026 -11.423 1.00 0.53 H new ATOM 0 HD21 ASN A 50 -14.450 -1.266 -11.191 1.00 1.28 H new ATOM 0 HD22 ASN A 50 -13.996 0.440 -11.244 1.00 1.28 H new ATOM 850 N SER A 51 -9.791 2.451 -9.140 1.00 0.31 N ATOM 851 CA SER A 51 -8.588 3.334 -9.119 1.00 0.36 C ATOM 852 C SER A 51 -7.660 2.986 -7.950 1.00 0.37 C ATOM 853 O SER A 51 -6.453 3.053 -8.067 1.00 0.50 O ATOM 854 CB SER A 51 -9.036 4.790 -8.986 1.00 0.38 C ATOM 855 OG SER A 51 -9.668 5.198 -10.191 1.00 1.49 O ATOM 0 H SER A 51 -10.683 2.938 -9.058 1.00 0.31 H new ATOM 0 HA SER A 51 -8.039 3.186 -10.049 1.00 0.36 H new ATOM 0 HB2 SER A 51 -9.724 4.896 -8.147 1.00 0.38 H new ATOM 0 HB3 SER A 51 -8.178 5.429 -8.777 1.00 0.38 H new ATOM 0 HG SER A 51 -10.594 4.878 -10.199 1.00 1.49 H new ATOM 861 N ILE A 52 -8.206 2.659 -6.813 1.00 0.33 N ATOM 862 CA ILE A 52 -7.348 2.359 -5.628 1.00 0.43 C ATOM 863 C ILE A 52 -6.408 1.178 -5.903 1.00 0.42 C ATOM 864 O ILE A 52 -5.217 1.266 -5.679 1.00 0.47 O ATOM 865 CB ILE A 52 -8.264 1.992 -4.458 1.00 0.51 C ATOM 866 CG1 ILE A 52 -9.142 3.199 -4.066 1.00 0.62 C ATOM 867 CG2 ILE A 52 -7.432 1.522 -3.263 1.00 0.64 C ATOM 868 CD1 ILE A 52 -8.412 4.131 -3.092 1.00 0.64 C ATOM 0 H ILE A 52 -9.210 2.586 -6.650 1.00 0.33 H new ATOM 0 HA ILE A 52 -6.741 3.236 -5.402 1.00 0.43 H new ATOM 0 HB ILE A 52 -8.918 1.177 -4.767 1.00 0.51 H new ATOM 0 HG12 ILE A 52 -9.421 3.754 -4.962 1.00 0.62 H new ATOM 0 HG13 ILE A 52 -10.066 2.845 -3.609 1.00 0.62 H new ATOM 0 HG21 ILE A 52 -8.095 1.264 -2.437 1.00 0.64 H new ATOM 0 HG22 ILE A 52 -6.849 0.646 -3.548 1.00 0.64 H new ATOM 0 HG23 ILE A 52 -6.759 2.321 -2.952 1.00 0.64 H new ATOM 0 HD11 ILE A 52 -9.059 4.970 -2.837 1.00 0.64 H new ATOM 0 HD12 ILE A 52 -8.156 3.582 -2.186 1.00 0.64 H new ATOM 0 HD13 ILE A 52 -7.501 4.505 -3.560 1.00 0.64 H new ATOM 880 N ARG A 53 -6.918 0.069 -6.366 1.00 0.45 N ATOM 881 CA ARG A 53 -6.025 -1.101 -6.622 1.00 0.53 C ATOM 882 C ARG A 53 -5.291 -0.933 -7.954 1.00 0.49 C ATOM 883 O ARG A 53 -4.189 -1.414 -8.125 1.00 0.47 O ATOM 884 CB ARG A 53 -6.851 -2.389 -6.622 1.00 0.76 C ATOM 885 CG ARG A 53 -7.924 -2.338 -7.712 1.00 0.56 C ATOM 886 CD ARG A 53 -8.797 -3.598 -7.632 1.00 0.37 C ATOM 887 NE ARG A 53 -8.115 -4.718 -8.342 1.00 1.42 N ATOM 888 CZ ARG A 53 -8.504 -5.949 -8.150 1.00 1.74 C ATOM 889 NH1 ARG A 53 -9.491 -6.205 -7.335 1.00 1.58 N ATOM 890 NH2 ARG A 53 -7.905 -6.924 -8.777 1.00 2.76 N ATOM 0 H ARG A 53 -7.905 -0.079 -6.577 1.00 0.45 H new ATOM 0 HA ARG A 53 -5.279 -1.159 -5.829 1.00 0.53 H new ATOM 0 HB2 ARG A 53 -6.198 -3.246 -6.786 1.00 0.76 H new ATOM 0 HB3 ARG A 53 -7.320 -2.527 -5.648 1.00 0.76 H new ATOM 0 HG2 ARG A 53 -8.540 -1.447 -7.589 1.00 0.56 H new ATOM 0 HG3 ARG A 53 -7.456 -2.269 -8.694 1.00 0.56 H new ATOM 0 HD2 ARG A 53 -8.973 -3.867 -6.590 1.00 0.37 H new ATOM 0 HD3 ARG A 53 -9.772 -3.408 -8.081 1.00 0.37 H new ATOM 0 HE ARG A 53 -7.343 -4.522 -8.979 1.00 1.42 H new ATOM 0 HH11 ARG A 53 -9.960 -5.442 -6.847 1.00 1.58 H new ATOM 0 HH12 ARG A 53 -9.793 -7.168 -7.187 1.00 1.58 H new ATOM 0 HH21 ARG A 53 -7.135 -6.723 -9.415 1.00 2.76 H new ATOM 0 HH22 ARG A 53 -8.207 -7.887 -8.629 1.00 2.76 H new ATOM 904 N HIS A 54 -5.880 -0.251 -8.897 1.00 0.52 N ATOM 905 CA HIS A 54 -5.192 -0.056 -10.204 1.00 0.59 C ATOM 906 C HIS A 54 -3.870 0.678 -9.971 1.00 0.53 C ATOM 907 O HIS A 54 -2.852 0.345 -10.544 1.00 0.59 O ATOM 908 CB HIS A 54 -6.086 0.771 -11.130 1.00 0.67 C ATOM 909 CG HIS A 54 -5.399 0.973 -12.453 1.00 1.12 C ATOM 910 ND1 HIS A 54 -4.875 -0.082 -13.185 1.00 1.81 N ATOM 911 CD2 HIS A 54 -5.154 2.102 -13.194 1.00 1.99 C ATOM 912 CE1 HIS A 54 -4.345 0.431 -14.310 1.00 2.38 C ATOM 913 NE2 HIS A 54 -4.488 1.757 -14.368 1.00 2.48 N ATOM 0 H HIS A 54 -6.802 0.177 -8.820 1.00 0.52 H new ATOM 0 HA HIS A 54 -4.994 -1.023 -10.666 1.00 0.59 H new ATOM 0 HB2 HIS A 54 -7.039 0.264 -11.278 1.00 0.67 H new ATOM 0 HB3 HIS A 54 -6.306 1.736 -10.673 1.00 0.67 H new ATOM 0 HD2 HIS A 54 -5.435 3.105 -12.910 1.00 1.99 H new ATOM 0 HE1 HIS A 54 -3.862 -0.159 -15.075 1.00 2.38 H new ATOM 0 HE2 HIS A 54 -4.177 2.382 -15.111 1.00 2.48 H new ATOM 921 N ASN A 55 -3.877 1.670 -9.123 1.00 0.46 N ATOM 922 CA ASN A 55 -2.620 2.420 -8.841 1.00 0.50 C ATOM 923 C ASN A 55 -1.614 1.494 -8.152 1.00 0.45 C ATOM 924 O ASN A 55 -0.433 1.529 -8.432 1.00 0.51 O ATOM 925 CB ASN A 55 -2.933 3.614 -7.938 1.00 0.53 C ATOM 926 CG ASN A 55 -3.692 4.668 -8.745 1.00 1.27 C ATOM 927 OD1 ASN A 55 -4.710 5.169 -8.312 1.00 2.07 O ATOM 928 ND2 ASN A 55 -3.234 5.025 -9.914 1.00 1.97 N ATOM 0 H ASN A 55 -4.699 1.994 -8.613 1.00 0.46 H new ATOM 0 HA ASN A 55 -2.191 2.779 -9.776 1.00 0.50 H new ATOM 0 HB2 ASN A 55 -3.530 3.293 -7.084 1.00 0.53 H new ATOM 0 HB3 ASN A 55 -2.010 4.037 -7.541 1.00 0.53 H new ATOM 0 HD21 ASN A 55 -3.731 5.725 -10.464 1.00 1.97 H new ATOM 0 HD22 ASN A 55 -2.379 4.604 -10.277 1.00 1.97 H new ATOM 935 N LEU A 56 -2.073 0.666 -7.253 1.00 0.39 N ATOM 936 CA LEU A 56 -1.138 -0.259 -6.550 1.00 0.39 C ATOM 937 C LEU A 56 -0.439 -1.181 -7.553 1.00 0.44 C ATOM 938 O LEU A 56 0.757 -1.388 -7.482 1.00 0.78 O ATOM 939 CB LEU A 56 -1.917 -1.096 -5.527 1.00 0.44 C ATOM 940 CG LEU A 56 -2.213 -0.255 -4.276 1.00 0.50 C ATOM 941 CD1 LEU A 56 -3.198 -1.013 -3.375 1.00 0.65 C ATOM 942 CD2 LEU A 56 -0.908 0.037 -3.501 1.00 0.53 C ATOM 0 H LEU A 56 -3.052 0.590 -6.975 1.00 0.39 H new ATOM 0 HA LEU A 56 -0.379 0.331 -6.036 1.00 0.39 H new ATOM 0 HB2 LEU A 56 -2.850 -1.448 -5.968 1.00 0.44 H new ATOM 0 HB3 LEU A 56 -1.340 -1.980 -5.253 1.00 0.44 H new ATOM 0 HG LEU A 56 -2.653 0.694 -4.581 1.00 0.50 H new ATOM 0 HD11 LEU A 56 -3.410 -0.418 -2.486 1.00 0.65 H new ATOM 0 HD12 LEU A 56 -4.125 -1.194 -3.920 1.00 0.65 H new ATOM 0 HD13 LEU A 56 -2.760 -1.966 -3.078 1.00 0.65 H new ATOM 0 HD21 LEU A 56 -1.135 0.634 -2.618 1.00 0.53 H new ATOM 0 HD22 LEU A 56 -0.448 -0.903 -3.196 1.00 0.53 H new ATOM 0 HD23 LEU A 56 -0.219 0.586 -4.143 1.00 0.53 H new ATOM 954 N SER A 57 -1.162 -1.749 -8.480 1.00 0.55 N ATOM 955 CA SER A 57 -0.511 -2.664 -9.463 1.00 0.61 C ATOM 956 C SER A 57 0.510 -1.895 -10.308 1.00 0.64 C ATOM 957 O SER A 57 1.617 -2.350 -10.519 1.00 0.69 O ATOM 958 CB SER A 57 -1.573 -3.278 -10.376 1.00 0.71 C ATOM 959 OG SER A 57 -2.429 -4.111 -9.606 1.00 1.60 O ATOM 0 H SER A 57 -2.167 -1.621 -8.600 1.00 0.55 H new ATOM 0 HA SER A 57 0.004 -3.456 -8.919 1.00 0.61 H new ATOM 0 HB2 SER A 57 -2.151 -2.491 -10.861 1.00 0.71 H new ATOM 0 HB3 SER A 57 -1.098 -3.858 -11.167 1.00 0.71 H new ATOM 0 HG SER A 57 -3.112 -4.505 -10.188 1.00 1.60 H new ATOM 965 N LEU A 58 0.155 -0.736 -10.796 1.00 0.65 N ATOM 966 CA LEU A 58 1.119 0.047 -11.625 1.00 0.73 C ATOM 967 C LEU A 58 2.253 0.574 -10.745 1.00 0.69 C ATOM 968 O LEU A 58 3.402 0.586 -11.138 1.00 0.76 O ATOM 969 CB LEU A 58 0.409 1.236 -12.274 1.00 0.81 C ATOM 970 CG LEU A 58 -0.564 0.757 -13.362 1.00 0.95 C ATOM 971 CD1 LEU A 58 -1.555 1.882 -13.677 1.00 1.38 C ATOM 972 CD2 LEU A 58 0.197 0.393 -14.647 1.00 1.31 C ATOM 0 H LEU A 58 -0.756 -0.299 -10.658 1.00 0.65 H new ATOM 0 HA LEU A 58 1.522 -0.607 -12.398 1.00 0.73 H new ATOM 0 HB2 LEU A 58 -0.134 1.800 -11.516 1.00 0.81 H new ATOM 0 HB3 LEU A 58 1.145 1.913 -12.709 1.00 0.81 H new ATOM 0 HG LEU A 58 -1.089 -0.126 -12.998 1.00 0.95 H new ATOM 0 HD11 LEU A 58 -2.249 1.550 -14.449 1.00 1.38 H new ATOM 0 HD12 LEU A 58 -2.111 2.140 -12.776 1.00 1.38 H new ATOM 0 HD13 LEU A 58 -1.011 2.758 -14.031 1.00 1.38 H new ATOM 0 HD21 LEU A 58 -0.510 0.056 -15.405 1.00 1.31 H new ATOM 0 HD22 LEU A 58 0.732 1.269 -15.013 1.00 1.31 H new ATOM 0 HD23 LEU A 58 0.909 -0.405 -14.435 1.00 1.31 H new ATOM 984 N ASN A 59 1.939 1.019 -9.559 1.00 0.62 N ATOM 985 CA ASN A 59 3.006 1.552 -8.668 1.00 0.61 C ATOM 986 C ASN A 59 3.856 0.394 -8.150 1.00 0.56 C ATOM 987 O ASN A 59 3.377 -0.483 -7.457 1.00 0.52 O ATOM 988 CB ASN A 59 2.368 2.288 -7.488 1.00 0.64 C ATOM 989 CG ASN A 59 1.775 3.619 -7.959 1.00 0.83 C ATOM 990 OD1 ASN A 59 1.118 4.303 -7.200 1.00 1.42 O ATOM 991 ND2 ASN A 59 1.975 4.019 -9.186 1.00 1.29 N ATOM 0 H ASN A 59 0.996 1.036 -9.171 1.00 0.62 H new ATOM 0 HA ASN A 59 3.635 2.245 -9.226 1.00 0.61 H new ATOM 0 HB2 ASN A 59 1.588 1.670 -7.042 1.00 0.64 H new ATOM 0 HB3 ASN A 59 3.114 2.467 -6.714 1.00 0.64 H new ATOM 0 HD21 ASN A 59 1.580 4.904 -9.505 1.00 1.29 H new ATOM 0 HD22 ASN A 59 2.526 3.447 -9.826 1.00 1.29 H new ATOM 998 N GLU A 60 5.117 0.386 -8.483 1.00 0.62 N ATOM 999 CA GLU A 60 6.013 -0.710 -8.020 1.00 0.65 C ATOM 1000 C GLU A 60 6.640 -0.321 -6.679 1.00 0.58 C ATOM 1001 O GLU A 60 7.372 -1.083 -6.081 1.00 0.55 O ATOM 1002 CB GLU A 60 7.103 -0.932 -9.068 1.00 0.84 C ATOM 1003 CG GLU A 60 6.457 -1.434 -10.362 1.00 0.97 C ATOM 1004 CD GLU A 60 5.957 -2.866 -10.163 1.00 1.52 C ATOM 1005 OE1 GLU A 60 6.652 -3.630 -9.514 1.00 2.02 O ATOM 1006 OE2 GLU A 60 4.890 -3.175 -10.666 1.00 2.17 O ATOM 0 H GLU A 60 5.568 1.096 -9.060 1.00 0.62 H new ATOM 0 HA GLU A 60 5.445 -1.631 -7.889 1.00 0.65 H new ATOM 0 HB2 GLU A 60 7.642 -0.003 -9.253 1.00 0.84 H new ATOM 0 HB3 GLU A 60 7.832 -1.657 -8.705 1.00 0.84 H new ATOM 0 HG2 GLU A 60 5.628 -0.784 -10.643 1.00 0.97 H new ATOM 0 HG3 GLU A 60 7.179 -1.400 -11.178 1.00 0.97 H new ATOM 1013 N CYS A 61 6.358 0.862 -6.202 1.00 0.62 N ATOM 1014 CA CYS A 61 6.935 1.296 -4.897 1.00 0.65 C ATOM 1015 C CYS A 61 6.469 0.346 -3.793 1.00 0.53 C ATOM 1016 O CYS A 61 7.221 -0.010 -2.908 1.00 0.57 O ATOM 1017 CB CYS A 61 6.464 2.715 -4.574 1.00 0.78 C ATOM 1018 SG CYS A 61 7.330 3.898 -5.636 1.00 1.56 S ATOM 0 H CYS A 61 5.754 1.545 -6.659 1.00 0.62 H new ATOM 0 HA CYS A 61 8.023 1.279 -4.960 1.00 0.65 H new ATOM 0 HB2 CYS A 61 5.388 2.795 -4.725 1.00 0.78 H new ATOM 0 HB3 CYS A 61 6.656 2.943 -3.526 1.00 0.78 H new ATOM 0 HG CYS A 61 6.927 5.103 -5.362 1.00 1.56 H new ATOM 1024 N PHE A 62 5.231 -0.063 -3.837 1.00 0.46 N ATOM 1025 CA PHE A 62 4.712 -0.987 -2.790 1.00 0.40 C ATOM 1026 C PHE A 62 5.154 -2.416 -3.104 1.00 0.44 C ATOM 1027 O PHE A 62 5.367 -2.771 -4.247 1.00 0.55 O ATOM 1028 CB PHE A 62 3.184 -0.920 -2.762 1.00 0.44 C ATOM 1029 CG PHE A 62 2.757 0.481 -2.395 1.00 0.40 C ATOM 1030 CD1 PHE A 62 2.855 0.913 -1.067 1.00 1.27 C ATOM 1031 CD2 PHE A 62 2.273 1.350 -3.380 1.00 1.29 C ATOM 1032 CE1 PHE A 62 2.467 2.213 -0.723 1.00 1.32 C ATOM 1033 CE2 PHE A 62 1.885 2.650 -3.037 1.00 1.32 C ATOM 1034 CZ PHE A 62 1.982 3.082 -1.709 1.00 0.59 C ATOM 0 H PHE A 62 4.556 0.203 -4.554 1.00 0.46 H new ATOM 0 HA PHE A 62 5.107 -0.691 -1.818 1.00 0.40 H new ATOM 0 HB2 PHE A 62 2.778 -1.194 -3.736 1.00 0.44 H new ATOM 0 HB3 PHE A 62 2.790 -1.635 -2.040 1.00 0.44 H new ATOM 0 HD1 PHE A 62 3.230 0.243 -0.308 1.00 1.27 H new ATOM 0 HD2 PHE A 62 2.199 1.017 -4.405 1.00 1.29 H new ATOM 0 HE1 PHE A 62 2.541 2.546 0.302 1.00 1.32 H new ATOM 0 HE2 PHE A 62 1.511 3.320 -3.797 1.00 1.32 H new ATOM 0 HZ PHE A 62 1.683 4.085 -1.445 1.00 0.59 H new ATOM 1044 N VAL A 63 5.296 -3.236 -2.094 1.00 0.46 N ATOM 1045 CA VAL A 63 5.727 -4.651 -2.310 1.00 0.55 C ATOM 1046 C VAL A 63 4.598 -5.593 -1.892 1.00 0.45 C ATOM 1047 O VAL A 63 4.157 -5.583 -0.760 1.00 0.45 O ATOM 1048 CB VAL A 63 6.959 -4.936 -1.450 1.00 0.74 C ATOM 1049 CG1 VAL A 63 7.414 -6.382 -1.667 1.00 0.85 C ATOM 1050 CG2 VAL A 63 8.085 -3.975 -1.838 1.00 0.91 C ATOM 0 H VAL A 63 5.130 -2.983 -1.120 1.00 0.46 H new ATOM 0 HA VAL A 63 5.965 -4.806 -3.363 1.00 0.55 H new ATOM 0 HB VAL A 63 6.709 -4.793 -0.399 1.00 0.74 H new ATOM 0 HG11 VAL A 63 8.292 -6.583 -1.053 1.00 0.85 H new ATOM 0 HG12 VAL A 63 6.611 -7.062 -1.385 1.00 0.85 H new ATOM 0 HG13 VAL A 63 7.664 -6.531 -2.717 1.00 0.85 H new ATOM 0 HG21 VAL A 63 8.963 -4.178 -1.225 1.00 0.91 H new ATOM 0 HG22 VAL A 63 8.336 -4.114 -2.890 1.00 0.91 H new ATOM 0 HG23 VAL A 63 7.759 -2.948 -1.676 1.00 0.91 H new ATOM 1060 N LYS A 64 4.131 -6.412 -2.793 1.00 0.53 N ATOM 1061 CA LYS A 64 3.037 -7.364 -2.444 1.00 0.56 C ATOM 1062 C LYS A 64 3.661 -8.625 -1.841 1.00 0.54 C ATOM 1063 O LYS A 64 4.546 -9.229 -2.414 1.00 0.77 O ATOM 1064 CB LYS A 64 2.242 -7.717 -3.710 1.00 0.84 C ATOM 1065 CG LYS A 64 3.182 -7.730 -4.918 1.00 0.94 C ATOM 1066 CD LYS A 64 2.474 -8.324 -6.142 1.00 1.11 C ATOM 1067 CE LYS A 64 1.474 -7.317 -6.722 1.00 1.05 C ATOM 1068 NZ LYS A 64 2.165 -6.023 -6.993 1.00 1.81 N ATOM 0 H LYS A 64 4.459 -6.464 -3.757 1.00 0.53 H new ATOM 0 HA LYS A 64 2.358 -6.912 -1.721 1.00 0.56 H new ATOM 0 HB2 LYS A 64 1.768 -8.692 -3.594 1.00 0.84 H new ATOM 0 HB3 LYS A 64 1.444 -6.991 -3.865 1.00 0.84 H new ATOM 0 HG2 LYS A 64 3.514 -6.716 -5.139 1.00 0.94 H new ATOM 0 HG3 LYS A 64 4.073 -8.314 -4.687 1.00 0.94 H new ATOM 0 HD2 LYS A 64 3.209 -8.594 -6.900 1.00 1.11 H new ATOM 0 HD3 LYS A 64 1.955 -9.240 -5.861 1.00 1.11 H new ATOM 0 HE2 LYS A 64 1.041 -7.709 -7.642 1.00 1.05 H new ATOM 0 HE3 LYS A 64 0.652 -7.162 -6.023 1.00 1.05 H new ATOM 0 HZ1 LYS A 64 1.846 -5.644 -7.908 1.00 1.81 H new ATOM 0 HZ2 LYS A 64 1.938 -5.344 -6.239 1.00 1.81 H new ATOM 0 HZ3 LYS A 64 3.193 -6.178 -7.022 1.00 1.81 H new ATOM 1082 N VAL A 65 3.209 -9.021 -0.681 1.00 0.50 N ATOM 1083 CA VAL A 65 3.775 -10.235 -0.022 1.00 0.57 C ATOM 1084 C VAL A 65 2.865 -11.440 -0.309 1.00 0.63 C ATOM 1085 O VAL A 65 1.755 -11.493 0.184 1.00 0.84 O ATOM 1086 CB VAL A 65 3.820 -9.995 1.488 1.00 0.69 C ATOM 1087 CG1 VAL A 65 4.517 -11.170 2.178 1.00 1.28 C ATOM 1088 CG2 VAL A 65 4.592 -8.705 1.774 1.00 0.69 C ATOM 0 H VAL A 65 2.468 -8.553 -0.159 1.00 0.50 H new ATOM 0 HA VAL A 65 4.777 -10.433 -0.404 1.00 0.57 H new ATOM 0 HB VAL A 65 2.803 -9.906 1.870 1.00 0.69 H new ATOM 0 HG11 VAL A 65 4.547 -10.995 3.253 1.00 1.28 H new ATOM 0 HG12 VAL A 65 3.967 -12.089 1.975 1.00 1.28 H new ATOM 0 HG13 VAL A 65 5.534 -11.264 1.797 1.00 1.28 H new ATOM 0 HG21 VAL A 65 4.625 -8.532 2.850 1.00 0.69 H new ATOM 0 HG22 VAL A 65 5.608 -8.796 1.389 1.00 0.69 H new ATOM 0 HG23 VAL A 65 4.093 -7.867 1.287 1.00 0.69 H new ATOM 1098 N PRO A 66 3.299 -12.405 -1.088 1.00 0.81 N ATOM 1099 CA PRO A 66 2.459 -13.594 -1.401 1.00 0.96 C ATOM 1100 C PRO A 66 2.455 -14.608 -0.256 1.00 0.95 C ATOM 1101 O PRO A 66 3.483 -14.916 0.313 1.00 1.13 O ATOM 1102 CB PRO A 66 3.118 -14.186 -2.651 1.00 1.25 C ATOM 1103 CG PRO A 66 4.561 -13.801 -2.549 1.00 1.65 C ATOM 1104 CD PRO A 66 4.614 -12.486 -1.757 1.00 1.18 C ATOM 0 HA PRO A 66 1.412 -13.329 -1.552 1.00 0.96 H new ATOM 0 HB2 PRO A 66 3.000 -15.269 -2.684 1.00 1.25 H new ATOM 0 HB3 PRO A 66 2.667 -13.789 -3.560 1.00 1.25 H new ATOM 0 HG2 PRO A 66 5.134 -14.579 -2.045 1.00 1.65 H new ATOM 0 HG3 PRO A 66 4.998 -13.674 -3.539 1.00 1.65 H new ATOM 0 HD2 PRO A 66 5.428 -12.491 -1.033 1.00 1.18 H new ATOM 0 HD3 PRO A 66 4.778 -11.633 -2.415 1.00 1.18 H new ATOM 1265 N TYR A 77 -0.603 -10.050 0.338 1.00 0.60 N ATOM 1266 CA TYR A 77 -0.731 -8.919 1.304 1.00 0.46 C ATOM 1267 C TYR A 77 0.171 -7.762 0.864 1.00 0.38 C ATOM 1268 O TYR A 77 1.162 -7.959 0.189 1.00 0.50 O ATOM 1269 CB TYR A 77 -0.324 -9.379 2.709 1.00 0.65 C ATOM 1270 CG TYR A 77 -0.801 -10.794 2.953 1.00 0.53 C ATOM 1271 CD1 TYR A 77 -2.126 -11.150 2.671 1.00 1.39 C ATOM 1272 CD2 TYR A 77 0.083 -11.751 3.472 1.00 1.23 C ATOM 1273 CE1 TYR A 77 -2.567 -12.457 2.907 1.00 1.38 C ATOM 1274 CE2 TYR A 77 -0.357 -13.059 3.706 1.00 1.32 C ATOM 1275 CZ TYR A 77 -1.683 -13.411 3.424 1.00 0.70 C ATOM 1276 OH TYR A 77 -2.119 -14.700 3.660 1.00 0.90 O ATOM 0 HA TYR A 77 -1.769 -8.586 1.324 1.00 0.46 H new ATOM 0 HB2 TYR A 77 0.760 -9.329 2.817 1.00 0.65 H new ATOM 0 HB3 TYR A 77 -0.750 -8.710 3.457 1.00 0.65 H new ATOM 0 HD1 TYR A 77 -2.808 -10.415 2.271 1.00 1.39 H new ATOM 0 HD2 TYR A 77 1.105 -11.478 3.691 1.00 1.23 H new ATOM 0 HE1 TYR A 77 -3.589 -12.729 2.690 1.00 1.38 H new ATOM 0 HE2 TYR A 77 0.325 -13.796 4.104 1.00 1.32 H new ATOM 0 HH TYR A 77 -1.380 -15.235 4.018 1.00 0.90 H new ATOM 1286 N TRP A 78 -0.177 -6.558 1.239 1.00 0.32 N ATOM 1287 CA TRP A 78 0.635 -5.365 0.848 1.00 0.31 C ATOM 1288 C TRP A 78 1.322 -4.774 2.080 1.00 0.32 C ATOM 1289 O TRP A 78 0.731 -4.644 3.133 1.00 0.38 O ATOM 1290 CB TRP A 78 -0.299 -4.319 0.240 1.00 0.34 C ATOM 1291 CG TRP A 78 -0.898 -4.876 -1.011 1.00 0.34 C ATOM 1292 CD1 TRP A 78 -2.011 -5.643 -1.064 1.00 0.44 C ATOM 1293 CD2 TRP A 78 -0.434 -4.730 -2.383 1.00 0.32 C ATOM 1294 NE1 TRP A 78 -2.260 -5.978 -2.382 1.00 0.46 N ATOM 1295 CE2 TRP A 78 -1.316 -5.438 -3.234 1.00 0.38 C ATOM 1296 CE3 TRP A 78 0.655 -4.059 -2.966 1.00 0.37 C ATOM 1297 CZ2 TRP A 78 -1.122 -5.477 -4.615 1.00 0.43 C ATOM 1298 CZ3 TRP A 78 0.852 -4.096 -4.355 1.00 0.45 C ATOM 1299 CH2 TRP A 78 -0.034 -4.805 -5.177 1.00 0.46 C ATOM 0 H TRP A 78 -0.998 -6.348 1.806 1.00 0.32 H new ATOM 0 HA TRP A 78 1.396 -5.660 0.125 1.00 0.31 H new ATOM 0 HB2 TRP A 78 -1.084 -4.056 0.949 1.00 0.34 H new ATOM 0 HB3 TRP A 78 0.251 -3.404 0.020 1.00 0.34 H new ATOM 0 HD1 TRP A 78 -2.607 -5.944 -0.216 1.00 0.44 H new ATOM 0 HE1 TRP A 78 -3.045 -6.553 -2.688 1.00 0.46 H new ATOM 0 HE3 TRP A 78 1.345 -3.511 -2.341 1.00 0.37 H new ATOM 0 HZ2 TRP A 78 -1.808 -6.023 -5.245 1.00 0.43 H new ATOM 0 HZ3 TRP A 78 1.691 -3.575 -4.793 1.00 0.45 H new ATOM 0 HH2 TRP A 78 0.124 -4.832 -6.245 1.00 0.46 H new ATOM 1310 N THR A 79 2.570 -4.406 1.951 1.00 0.33 N ATOM 1311 CA THR A 79 3.311 -3.813 3.104 1.00 0.37 C ATOM 1312 C THR A 79 4.283 -2.752 2.584 1.00 0.40 C ATOM 1313 O THR A 79 4.645 -2.742 1.425 1.00 0.45 O ATOM 1314 CB THR A 79 4.093 -4.912 3.831 1.00 0.49 C ATOM 1315 OG1 THR A 79 4.676 -4.374 5.009 1.00 0.55 O ATOM 1316 CG2 THR A 79 5.193 -5.456 2.917 1.00 0.56 C ATOM 0 H THR A 79 3.111 -4.491 1.091 1.00 0.33 H new ATOM 0 HA THR A 79 2.605 -3.355 3.797 1.00 0.37 H new ATOM 0 HB THR A 79 3.415 -5.723 4.096 1.00 0.49 H new ATOM 0 HG1 THR A 79 5.175 -5.076 5.477 1.00 0.55 H new ATOM 0 HG21 THR A 79 5.746 -6.237 3.439 1.00 0.56 H new ATOM 0 HG22 THR A 79 4.744 -5.870 2.014 1.00 0.56 H new ATOM 0 HG23 THR A 79 5.873 -4.649 2.646 1.00 0.56 H new ATOM 1324 N LEU A 80 4.712 -1.860 3.434 1.00 0.45 N ATOM 1325 CA LEU A 80 5.664 -0.803 2.991 1.00 0.53 C ATOM 1326 C LEU A 80 7.075 -1.390 2.931 1.00 0.74 C ATOM 1327 O LEU A 80 7.342 -2.444 3.472 1.00 1.42 O ATOM 1328 CB LEU A 80 5.634 0.369 3.977 1.00 0.54 C ATOM 1329 CG LEU A 80 4.224 0.969 4.036 1.00 0.63 C ATOM 1330 CD1 LEU A 80 4.191 2.082 5.090 1.00 0.86 C ATOM 1331 CD2 LEU A 80 3.837 1.545 2.663 1.00 0.81 C ATOM 0 H LEU A 80 4.444 -1.818 4.417 1.00 0.45 H new ATOM 0 HA LEU A 80 5.375 -0.444 2.003 1.00 0.53 H new ATOM 0 HB2 LEU A 80 5.935 0.029 4.968 1.00 0.54 H new ATOM 0 HB3 LEU A 80 6.350 1.131 3.670 1.00 0.54 H new ATOM 0 HG LEU A 80 3.512 0.188 4.304 1.00 0.63 H new ATOM 0 HD11 LEU A 80 3.190 2.511 5.135 1.00 0.86 H new ATOM 0 HD12 LEU A 80 4.453 1.669 6.064 1.00 0.86 H new ATOM 0 HD13 LEU A 80 4.907 2.859 4.821 1.00 0.86 H new ATOM 0 HD21 LEU A 80 2.834 1.969 2.716 1.00 0.81 H new ATOM 0 HD22 LEU A 80 4.546 2.324 2.382 1.00 0.81 H new ATOM 0 HD23 LEU A 80 3.857 0.751 1.917 1.00 0.81 H new