USER MOD reduce.3.24.130724 H: found=0, std=0, add=990, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 990 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 121 HIS : no HD1:sc= -0.0243 X(o=-2.4,f=-2.4) USER MOD Set 1.2: A 123 GLN : amide:sc= -2.36! C(o=-2.4!,f=-4!) USER MOD Set 2.1: A 93 TYR OH : rot 39:sc= 1.26 USER MOD Set 2.2: A 98 MET CE :methyl 156:sc= -0.0905 (180deg=-0.516) USER MOD Single : A 8 HIS : no HE2:sc= 0.919 K(o=0.92,f=-8.2!) USER MOD Single : A 9 LYS NZ :NH3+ -113:sc= -0.409 (180deg=-3.93!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -69:sc= -0.164 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl -131:sc= -1.4 (180deg=-4.66!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 139:sc=-0.000148 (180deg=-1.78) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 120:sc= -1.55! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 78:sc= 0.545 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -120:sc= 0.14 (180deg=-0.257) USER MOD Single : A 65 MET CE :methyl -122:sc= -0.212 (180deg=-2.23!) USER MOD Single : A 68 ASN : amide:sc= -1.47 K(o=-1.5,f=-2.9) USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 1.3 (180deg=1.05) USER MOD Single : A 71 LYS NZ :NH3+ -129:sc= 1.14 (180deg=0.0975) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0241) USER MOD Single : A 80 GLN : amide:sc= -1.93! K(o=-1.9!,f=-0.084) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= 1.26 (180deg=1.13) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 130:sc= 0.794 USER MOD Single : A 97 LYS NZ :NH3+ 137:sc= 1.23 (180deg=0.401) USER MOD Single : A 100 ASN : amide:sc= -0.263 K(o=-0.26,f=-7.9!) USER MOD Single : A 106 GLN : amide:sc= -0.518 K(o=-0.52,f=-1.1) USER MOD Single : A 110 LYS NZ :NH3+ -130:sc= 0.508 (180deg=-0.112) USER MOD Single : A 113 TYR OH : rot 180:sc= -0.632 USER MOD Single : A 115 TYR OH : rot 122:sc= 0.326 USER MOD Single : A 116 LYS NZ :NH3+ 165:sc=-0.00746 (180deg=-0.126) USER MOD Single : A 118 ASN : amide:sc= -12.3! C(o=-12!,f=-21!) USER MOD Single : A 119 ASN : amide:sc= -0.902 K(o=-0.9,f=0) USER MOD Single : A 120 THR OG1 : rot 94:sc= 0.576 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.16) USER MOD Single : A 133 LYS NZ :NH3+ 170:sc= 1.33 (180deg=0.904) USER MOD Single : A 134 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1.2) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= 1.09 K(o=1.1,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 115 N HIS A 8 -13.288 7.219 1.124 1.00 0.00 N ATOM 116 CA HIS A 8 -14.155 6.193 1.561 1.00 0.00 C ATOM 117 C HIS A 8 -13.409 4.934 1.845 1.00 0.00 C ATOM 118 O HIS A 8 -12.872 4.290 0.940 1.00 0.00 O ATOM 119 CB HIS A 8 -15.336 5.987 0.598 1.00 0.00 C ATOM 120 CG HIS A 8 -15.101 6.371 -0.823 1.00 0.00 C ATOM 121 ND1 HIS A 8 -15.599 7.519 -1.391 1.00 0.00 N ATOM 122 CD2 HIS A 8 -14.408 5.755 -1.774 1.00 0.00 C ATOM 123 CE1 HIS A 8 -15.199 7.565 -2.646 1.00 0.00 C ATOM 124 NE2 HIS A 8 -14.462 6.512 -2.942 1.00 0.00 N ATOM 0 HA HIS A 8 -14.594 6.513 2.506 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -15.622 4.935 0.626 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -16.186 6.558 0.971 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -16.178 8.215 -0.922 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -13.886 4.817 -1.660 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -15.442 8.358 -3.338 1.00 0.00 H new ATOM 132 N LYS A 9 -13.337 4.613 3.113 1.00 0.00 N ATOM 133 CA LYS A 9 -12.657 3.464 3.543 1.00 0.00 C ATOM 134 C LYS A 9 -13.639 2.291 3.626 1.00 0.00 C ATOM 135 O LYS A 9 -14.804 2.482 3.991 1.00 0.00 O ATOM 136 CB LYS A 9 -12.015 3.717 4.868 1.00 0.00 C ATOM 137 CG LYS A 9 -10.936 2.724 5.085 1.00 0.00 C ATOM 138 CD LYS A 9 -10.097 2.944 6.288 1.00 0.00 C ATOM 139 CE LYS A 9 -9.319 4.248 6.288 1.00 0.00 C ATOM 140 NZ LYS A 9 -10.113 5.459 6.524 1.00 0.00 N ATOM 0 H LYS A 9 -13.759 5.159 3.864 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.873 3.213 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.608 4.727 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.756 3.646 5.664 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.386 1.734 5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.289 2.720 4.208 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.737 2.918 7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.393 2.117 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.544 4.188 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.813 4.348 5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.122 6.041 5.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.087 5.193 6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.693 6.003 7.305 1.00 0.00 H new ATOM 154 N GLU A 10 -13.160 1.108 3.359 1.00 0.00 N ATOM 155 CA GLU A 10 -13.956 -0.086 3.198 1.00 0.00 C ATOM 156 C GLU A 10 -13.224 -1.217 3.871 1.00 0.00 C ATOM 157 O GLU A 10 -12.015 -1.235 3.836 1.00 0.00 O ATOM 158 CB GLU A 10 -14.039 -0.411 1.707 1.00 0.00 C ATOM 159 CG GLU A 10 -14.823 0.582 0.859 1.00 0.00 C ATOM 160 CD GLU A 10 -16.307 0.587 1.147 1.00 0.00 C ATOM 161 OE1 GLU A 10 -16.756 1.251 2.082 1.00 0.00 O ATOM 162 OE2 GLU A 10 -17.068 -0.056 0.389 1.00 0.00 O ATOM 0 H GLU A 10 -12.161 0.938 3.242 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.951 0.053 3.620 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.026 -0.478 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.492 -1.396 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.426 1.583 1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.667 0.350 -0.194 1.00 0.00 H new ATOM 169 N PRO A 11 -13.898 -2.141 4.519 1.00 0.00 N ATOM 170 CA PRO A 11 -13.242 -3.277 5.151 1.00 0.00 C ATOM 171 C PRO A 11 -12.984 -4.428 4.170 1.00 0.00 C ATOM 172 O PRO A 11 -13.869 -4.827 3.398 1.00 0.00 O ATOM 173 CB PRO A 11 -14.252 -3.690 6.233 1.00 0.00 C ATOM 174 CG PRO A 11 -15.247 -2.578 6.231 1.00 0.00 C ATOM 175 CD PRO A 11 -15.317 -2.154 4.814 1.00 0.00 C ATOM 0 HA PRO A 11 -12.255 -3.026 5.539 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -14.720 -4.646 6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.774 -3.798 7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -16.219 -2.913 6.595 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.930 -1.759 6.876 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.872 -2.855 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -15.784 -1.177 4.688 1.00 0.00 H new ATOM 183 N ALA A 12 -11.799 -4.956 4.229 1.00 0.00 N ATOM 184 CA ALA A 12 -11.349 -6.045 3.394 1.00 0.00 C ATOM 185 C ALA A 12 -10.760 -7.115 4.285 1.00 0.00 C ATOM 186 O ALA A 12 -10.603 -6.902 5.481 1.00 0.00 O ATOM 187 CB ALA A 12 -10.303 -5.526 2.413 1.00 0.00 C ATOM 0 H ALA A 12 -11.086 -4.632 4.883 1.00 0.00 H new ATOM 0 HA ALA A 12 -12.178 -6.465 2.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.960 -6.344 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.743 -4.746 1.791 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.458 -5.116 2.966 1.00 0.00 H new ATOM 193 N THR A 13 -10.490 -8.265 3.747 1.00 0.00 N ATOM 194 CA THR A 13 -9.882 -9.321 4.553 1.00 0.00 C ATOM 195 C THR A 13 -8.667 -9.900 3.835 1.00 0.00 C ATOM 196 O THR A 13 -8.677 -10.014 2.633 1.00 0.00 O ATOM 197 CB THR A 13 -10.918 -10.423 4.878 1.00 0.00 C ATOM 198 OG1 THR A 13 -12.054 -9.822 5.519 1.00 0.00 O ATOM 199 CG2 THR A 13 -10.333 -11.469 5.804 1.00 0.00 C ATOM 0 H THR A 13 -10.670 -8.510 2.773 1.00 0.00 H new ATOM 0 HA THR A 13 -9.546 -8.892 5.497 1.00 0.00 H new ATOM 0 HB THR A 13 -11.209 -10.907 3.946 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.716 -10.514 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.085 -12.230 6.014 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.469 -11.934 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.024 -10.997 6.737 1.00 0.00 H new ATOM 207 N LEU A 14 -7.622 -10.231 4.561 1.00 0.00 N ATOM 208 CA LEU A 14 -6.417 -10.743 3.944 1.00 0.00 C ATOM 209 C LEU A 14 -6.611 -12.130 3.370 1.00 0.00 C ATOM 210 O LEU A 14 -7.047 -13.055 4.053 1.00 0.00 O ATOM 211 CB LEU A 14 -5.208 -10.670 4.912 1.00 0.00 C ATOM 212 CG LEU A 14 -3.806 -11.132 4.400 1.00 0.00 C ATOM 213 CD1 LEU A 14 -3.584 -12.619 4.570 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.596 -10.738 2.943 1.00 0.00 C ATOM 0 H LEU A 14 -7.581 -10.155 5.577 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.189 -10.094 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.114 -9.636 5.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.452 -11.267 5.791 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.071 -10.618 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.594 -12.884 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.656 -12.879 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.341 -13.166 4.009 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.612 -11.072 2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.363 -11.205 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.662 -9.654 2.846 1.00 0.00 H new ATOM 226 N ILE A 15 -6.320 -12.243 2.106 1.00 0.00 N ATOM 227 CA ILE A 15 -6.326 -13.490 1.433 1.00 0.00 C ATOM 228 C ILE A 15 -4.905 -13.931 1.186 1.00 0.00 C ATOM 229 O ILE A 15 -4.495 -15.012 1.639 1.00 0.00 O ATOM 230 CB ILE A 15 -7.120 -13.425 0.116 1.00 0.00 C ATOM 231 CG1 ILE A 15 -8.580 -13.084 0.426 1.00 0.00 C ATOM 232 CG2 ILE A 15 -7.006 -14.736 -0.653 1.00 0.00 C ATOM 233 CD1 ILE A 15 -9.473 -13.050 -0.773 1.00 0.00 C ATOM 0 H ILE A 15 -6.069 -11.452 1.513 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.827 -14.222 2.066 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.703 -12.644 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.969 -13.816 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.617 -12.113 0.919 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.576 -14.665 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.959 -14.932 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -7.402 -15.550 -0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.488 -12.801 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.112 -12.297 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.470 -14.027 -1.257 1.00 0.00 H new ATOM 245 N LYS A 16 -4.130 -13.081 0.534 1.00 0.00 N ATOM 246 CA LYS A 16 -2.753 -13.434 0.201 1.00 0.00 C ATOM 247 C LYS A 16 -1.999 -12.220 -0.279 1.00 0.00 C ATOM 248 O LYS A 16 -2.386 -11.613 -1.253 1.00 0.00 O ATOM 249 CB LYS A 16 -2.753 -14.494 -0.913 1.00 0.00 C ATOM 250 CG LYS A 16 -1.381 -14.896 -1.432 1.00 0.00 C ATOM 251 CD LYS A 16 -1.516 -15.811 -2.637 1.00 0.00 C ATOM 252 CE LYS A 16 -0.169 -16.125 -3.274 1.00 0.00 C ATOM 253 NZ LYS A 16 0.707 -16.931 -2.401 1.00 0.00 N ATOM 0 H LYS A 16 -4.422 -12.153 0.227 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.267 -13.826 1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.258 -15.386 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.343 -14.118 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.814 -14.006 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.821 -15.401 -0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.998 -16.740 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.165 -15.342 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.331 -16.660 -4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.335 -15.191 -3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.608 -17.113 -2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.888 -16.413 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.242 -17.835 -2.183 1.00 0.00 H new ATOM 267 N ALA A 17 -0.944 -11.864 0.393 1.00 0.00 N ATOM 268 CA ALA A 17 -0.109 -10.778 -0.066 1.00 0.00 C ATOM 269 C ALA A 17 0.666 -11.289 -1.233 1.00 0.00 C ATOM 270 O ALA A 17 1.257 -12.370 -1.158 1.00 0.00 O ATOM 271 CB ALA A 17 0.822 -10.280 1.020 1.00 0.00 C ATOM 0 H ALA A 17 -0.636 -12.305 1.260 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.728 -9.926 -0.347 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.431 -9.464 0.631 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.235 -9.924 1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.470 -11.094 1.345 1.00 0.00 H new ATOM 277 N ILE A 18 0.645 -10.575 -2.319 1.00 0.00 N ATOM 278 CA ILE A 18 1.267 -11.087 -3.492 1.00 0.00 C ATOM 279 C ILE A 18 2.717 -10.657 -3.549 1.00 0.00 C ATOM 280 O ILE A 18 3.609 -11.467 -3.337 1.00 0.00 O ATOM 281 CB ILE A 18 0.532 -10.663 -4.790 1.00 0.00 C ATOM 282 CG1 ILE A 18 -0.981 -10.959 -4.703 1.00 0.00 C ATOM 283 CG2 ILE A 18 1.138 -11.368 -6.002 1.00 0.00 C ATOM 284 CD1 ILE A 18 -1.352 -12.418 -4.498 1.00 0.00 C ATOM 0 H ILE A 18 0.212 -9.656 -2.413 1.00 0.00 H new ATOM 0 HA ILE A 18 1.211 -12.174 -3.432 1.00 0.00 H new ATOM 0 HB ILE A 18 0.659 -9.587 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.401 -10.377 -3.883 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.456 -10.607 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.610 -11.059 -6.904 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.191 -11.102 -6.089 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.045 -12.447 -5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -2.437 -12.514 -4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.971 -13.011 -5.330 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.915 -12.777 -3.566 1.00 0.00 H new ATOM 296 N ASP A 19 2.965 -9.376 -3.758 1.00 0.00 N ATOM 297 CA ASP A 19 4.381 -8.943 -3.978 1.00 0.00 C ATOM 298 C ASP A 19 4.705 -7.677 -3.264 1.00 0.00 C ATOM 299 O ASP A 19 5.639 -6.942 -3.627 1.00 0.00 O ATOM 300 CB ASP A 19 4.655 -8.696 -5.430 1.00 0.00 C ATOM 301 CG ASP A 19 4.638 -9.941 -6.313 1.00 0.00 C ATOM 302 OD1 ASP A 19 5.294 -10.964 -5.973 1.00 0.00 O ATOM 303 OD2 ASP A 19 4.010 -9.906 -7.392 1.00 0.00 O ATOM 0 H ASP A 19 2.265 -8.635 -3.784 1.00 0.00 H new ATOM 0 HA ASP A 19 4.994 -9.758 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.915 -7.991 -5.809 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.629 -8.216 -5.524 1.00 0.00 H new ATOM 308 N GLY A 20 3.982 -7.435 -2.271 1.00 0.00 N ATOM 309 CA GLY A 20 4.081 -6.206 -1.556 1.00 0.00 C ATOM 310 C GLY A 20 3.151 -5.260 -2.200 1.00 0.00 C ATOM 311 O GLY A 20 2.026 -5.074 -1.753 1.00 0.00 O ATOM 0 H GLY A 20 3.283 -8.081 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.822 -6.348 -0.507 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.101 -5.824 -1.584 1.00 0.00 H new ATOM 315 N ASP A 21 3.561 -4.778 -3.335 1.00 0.00 N ATOM 316 CA ASP A 21 2.751 -3.915 -4.137 1.00 0.00 C ATOM 317 C ASP A 21 1.902 -4.728 -5.064 1.00 0.00 C ATOM 318 O ASP A 21 2.119 -4.806 -6.272 1.00 0.00 O ATOM 319 CB ASP A 21 3.544 -2.802 -4.812 1.00 0.00 C ATOM 320 CG ASP A 21 2.794 -2.048 -5.875 1.00 0.00 C ATOM 321 OD1 ASP A 21 1.679 -1.571 -5.603 1.00 0.00 O ATOM 322 OD2 ASP A 21 3.339 -1.932 -7.023 1.00 0.00 O ATOM 0 H ASP A 21 4.479 -4.976 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 21 2.071 -3.370 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.873 -2.096 -4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.441 -3.233 -5.257 1.00 0.00 H new ATOM 327 N THR A 22 1.105 -5.528 -4.396 1.00 0.00 N ATOM 328 CA THR A 22 0.051 -6.343 -4.885 1.00 0.00 C ATOM 329 C THR A 22 -0.347 -7.273 -3.777 1.00 0.00 C ATOM 330 O THR A 22 0.513 -8.050 -3.260 1.00 0.00 O ATOM 331 CB THR A 22 0.346 -7.148 -6.166 1.00 0.00 C ATOM 332 OG1 THR A 22 1.737 -7.479 -6.286 1.00 0.00 O ATOM 333 CG2 THR A 22 -0.178 -6.455 -7.414 1.00 0.00 C ATOM 0 H THR A 22 1.202 -5.624 -3.385 1.00 0.00 H new ATOM 0 HA THR A 22 -0.748 -5.665 -5.186 1.00 0.00 H new ATOM 0 HB THR A 22 -0.199 -8.087 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.253 -6.665 -6.461 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.054 -7.060 -8.291 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.258 -6.330 -7.334 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.294 -5.478 -7.513 1.00 0.00 H new ATOM 341 N VAL A 23 -1.595 -7.149 -3.336 1.00 0.00 N ATOM 342 CA VAL A 23 -2.108 -7.961 -2.217 1.00 0.00 C ATOM 343 C VAL A 23 -3.520 -8.447 -2.512 1.00 0.00 C ATOM 344 O VAL A 23 -4.358 -7.668 -2.866 1.00 0.00 O ATOM 345 CB VAL A 23 -2.234 -7.116 -0.926 1.00 0.00 C ATOM 346 CG1 VAL A 23 -2.464 -7.964 0.316 1.00 0.00 C ATOM 347 CG2 VAL A 23 -1.090 -6.177 -0.748 1.00 0.00 C ATOM 0 H VAL A 23 -2.275 -6.498 -3.729 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.406 -8.786 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.129 -6.508 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.544 -7.316 1.189 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.386 -8.534 0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.627 -8.650 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.226 -5.608 0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.160 -6.743 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.046 -5.492 -1.595 1.00 0.00 H new ATOM 357 N LYS A 24 -3.788 -9.698 -2.318 1.00 0.00 N ATOM 358 CA LYS A 24 -5.131 -10.190 -2.475 1.00 0.00 C ATOM 359 C LYS A 24 -5.875 -10.065 -1.216 1.00 0.00 C ATOM 360 O LYS A 24 -5.547 -10.747 -0.193 1.00 0.00 O ATOM 361 CB LYS A 24 -5.274 -11.628 -2.987 1.00 0.00 C ATOM 362 CG LYS A 24 -5.118 -11.781 -4.488 1.00 0.00 C ATOM 363 CD LYS A 24 -5.313 -13.226 -4.957 1.00 0.00 C ATOM 364 CE LYS A 24 -6.704 -13.785 -4.620 1.00 0.00 C ATOM 365 NZ LYS A 24 -6.898 -15.158 -5.143 1.00 0.00 N ATOM 0 H LYS A 24 -3.100 -10.402 -2.051 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.544 -9.556 -3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.530 -12.252 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.253 -12.008 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.841 -11.139 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.126 -11.438 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.159 -13.276 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.553 -13.857 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.840 -13.787 -3.539 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.468 -13.128 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.850 -15.494 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.794 -15.153 -6.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.186 -15.792 -4.727 1.00 0.00 H new ATOM 379 N LEU A 25 -6.832 -9.191 -1.252 1.00 0.00 N ATOM 380 CA LEU A 25 -7.719 -9.013 -0.157 1.00 0.00 C ATOM 381 C LEU A 25 -9.143 -9.347 -0.588 1.00 0.00 C ATOM 382 O LEU A 25 -9.470 -9.303 -1.775 1.00 0.00 O ATOM 383 CB LEU A 25 -7.648 -7.577 0.334 1.00 0.00 C ATOM 384 CG LEU A 25 -6.275 -7.080 0.758 1.00 0.00 C ATOM 385 CD1 LEU A 25 -6.324 -5.612 1.020 1.00 0.00 C ATOM 386 CD2 LEU A 25 -5.783 -7.815 1.987 1.00 0.00 C ATOM 0 H LEU A 25 -7.017 -8.580 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.427 -9.680 0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.019 -6.926 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.327 -7.470 1.180 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.575 -7.277 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.337 -5.263 1.323 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.630 -5.091 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.041 -5.408 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.799 -7.438 2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.480 -7.655 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.715 -8.881 1.771 1.00 0.00 H new ATOM 398 N MET A 26 -9.936 -9.746 0.366 1.00 0.00 N ATOM 399 CA MET A 26 -11.352 -9.982 0.197 1.00 0.00 C ATOM 400 C MET A 26 -11.991 -8.668 0.312 1.00 0.00 C ATOM 401 O MET A 26 -11.858 -8.027 1.347 1.00 0.00 O ATOM 402 CB MET A 26 -11.891 -10.822 1.340 1.00 0.00 C ATOM 403 CG MET A 26 -13.405 -11.096 1.318 1.00 0.00 C ATOM 404 SD MET A 26 -13.849 -12.811 0.947 1.00 0.00 S ATOM 405 CE MET A 26 -13.429 -12.935 -0.782 1.00 0.00 C ATOM 0 H MET A 26 -9.609 -9.923 1.316 1.00 0.00 H new ATOM 0 HA MET A 26 -11.540 -10.487 -0.750 1.00 0.00 H new ATOM 0 HB2 MET A 26 -11.368 -11.779 1.340 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.645 -10.324 2.278 1.00 0.00 H new ATOM 0 HG2 MET A 26 -13.825 -10.826 2.287 1.00 0.00 H new ATOM 0 HG3 MET A 26 -13.869 -10.445 0.577 1.00 0.00 H new ATOM 0 HE1 MET A 26 -14.263 -13.376 -1.328 1.00 0.00 H new ATOM 0 HE2 MET A 26 -13.221 -11.941 -1.178 1.00 0.00 H new ATOM 0 HE3 MET A 26 -12.546 -13.564 -0.898 1.00 0.00 H new ATOM 415 N TYR A 27 -12.638 -8.275 -0.696 1.00 0.00 N ATOM 416 CA TYR A 27 -13.301 -7.047 -0.745 1.00 0.00 C ATOM 417 C TYR A 27 -14.648 -7.289 -1.365 1.00 0.00 C ATOM 418 O TYR A 27 -14.745 -7.890 -2.438 1.00 0.00 O ATOM 419 CB TYR A 27 -12.451 -6.060 -1.554 1.00 0.00 C ATOM 420 CG TYR A 27 -13.167 -4.796 -2.007 1.00 0.00 C ATOM 421 CD1 TYR A 27 -13.873 -4.775 -3.207 1.00 0.00 C ATOM 422 CD2 TYR A 27 -13.152 -3.634 -1.237 1.00 0.00 C ATOM 423 CE1 TYR A 27 -14.542 -3.654 -3.620 1.00 0.00 C ATOM 424 CE2 TYR A 27 -13.820 -2.502 -1.655 1.00 0.00 C ATOM 425 CZ TYR A 27 -14.516 -2.524 -2.845 1.00 0.00 C ATOM 426 OH TYR A 27 -15.182 -1.411 -3.264 1.00 0.00 O ATOM 0 H TYR A 27 -12.726 -8.823 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.446 -6.613 0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.589 -5.772 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.068 -6.575 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.893 -5.661 -3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.611 -3.620 -0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.088 -3.660 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.798 -1.605 -1.054 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.069 -0.695 -2.605 1.00 0.00 H new ATOM 436 N LYS A 28 -15.674 -6.937 -0.627 1.00 0.00 N ATOM 437 CA LYS A 28 -17.069 -7.039 -1.048 1.00 0.00 C ATOM 438 C LYS A 28 -17.461 -8.523 -1.224 1.00 0.00 C ATOM 439 O LYS A 28 -18.483 -8.871 -1.826 1.00 0.00 O ATOM 440 CB LYS A 28 -17.306 -6.180 -2.325 1.00 0.00 C ATOM 441 CG LYS A 28 -18.758 -6.033 -2.770 1.00 0.00 C ATOM 442 CD LYS A 28 -18.887 -5.153 -4.014 1.00 0.00 C ATOM 443 CE LYS A 28 -18.435 -3.719 -3.751 1.00 0.00 C ATOM 444 NZ LYS A 28 -18.623 -2.846 -4.931 1.00 0.00 N ATOM 0 H LYS A 28 -15.568 -6.559 0.314 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.725 -6.634 -0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.897 -5.185 -2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.738 -6.619 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.176 -7.018 -2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.345 -5.603 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.291 -5.578 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.924 -5.150 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.994 -3.313 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.383 -3.718 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.302 -1.883 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.069 -3.217 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.630 -2.824 -5.189 1.00 0.00 H new ATOM 458 N GLY A 29 -16.668 -9.380 -0.623 1.00 0.00 N ATOM 459 CA GLY A 29 -16.877 -10.792 -0.735 1.00 0.00 C ATOM 460 C GLY A 29 -16.166 -11.374 -1.937 1.00 0.00 C ATOM 461 O GLY A 29 -16.388 -12.529 -2.299 1.00 0.00 O ATOM 0 H GLY A 29 -15.868 -9.114 -0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.522 -11.284 0.170 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.945 -10.996 -0.811 1.00 0.00 H new ATOM 465 N GLN A 30 -15.316 -10.585 -2.574 1.00 0.00 N ATOM 466 CA GLN A 30 -14.576 -11.036 -3.715 1.00 0.00 C ATOM 467 C GLN A 30 -13.089 -10.891 -3.474 1.00 0.00 C ATOM 468 O GLN A 30 -12.657 -9.932 -2.842 1.00 0.00 O ATOM 469 CB GLN A 30 -14.966 -10.221 -4.911 1.00 0.00 C ATOM 470 CG GLN A 30 -16.419 -10.332 -5.244 1.00 0.00 C ATOM 471 CD GLN A 30 -16.790 -9.535 -6.471 1.00 0.00 C ATOM 472 OE1 GLN A 30 -17.139 -8.352 -6.387 1.00 0.00 O ATOM 473 NE2 GLN A 30 -16.726 -10.160 -7.612 1.00 0.00 N ATOM 0 H GLN A 30 -15.128 -9.619 -2.307 1.00 0.00 H new ATOM 0 HA GLN A 30 -14.803 -12.088 -3.889 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -14.720 -9.175 -4.727 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.376 -10.541 -5.770 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.673 -11.380 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.011 -9.986 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.434 -11.137 -7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.968 -9.673 -8.475 1.00 0.00 H new ATOM 482 N PRO A 31 -12.280 -11.866 -3.905 1.00 0.00 N ATOM 483 CA PRO A 31 -10.838 -11.761 -3.809 1.00 0.00 C ATOM 484 C PRO A 31 -10.330 -10.802 -4.848 1.00 0.00 C ATOM 485 O PRO A 31 -10.649 -10.939 -6.035 1.00 0.00 O ATOM 486 CB PRO A 31 -10.335 -13.170 -4.149 1.00 0.00 C ATOM 487 CG PRO A 31 -11.537 -14.030 -4.110 1.00 0.00 C ATOM 488 CD PRO A 31 -12.683 -13.148 -4.491 1.00 0.00 C ATOM 0 HA PRO A 31 -10.509 -11.409 -2.831 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.865 -13.194 -5.132 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.587 -13.505 -3.430 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.441 -14.867 -4.802 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.683 -14.453 -3.116 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -12.807 -13.083 -5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -13.628 -13.506 -4.082 1.00 0.00 H new ATOM 496 N MET A 32 -9.563 -9.853 -4.443 1.00 0.00 N ATOM 497 CA MET A 32 -9.061 -8.908 -5.380 1.00 0.00 C ATOM 498 C MET A 32 -7.641 -8.582 -5.052 1.00 0.00 C ATOM 499 O MET A 32 -7.261 -8.486 -3.875 1.00 0.00 O ATOM 500 CB MET A 32 -9.909 -7.628 -5.427 1.00 0.00 C ATOM 501 CG MET A 32 -9.671 -6.826 -6.714 1.00 0.00 C ATOM 502 SD MET A 32 -10.712 -5.365 -6.889 1.00 0.00 S ATOM 503 CE MET A 32 -10.143 -4.354 -5.539 1.00 0.00 C ATOM 0 H MET A 32 -9.270 -9.709 -3.477 1.00 0.00 H new ATOM 0 HA MET A 32 -9.115 -9.360 -6.370 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.965 -7.890 -5.353 1.00 0.00 H new ATOM 0 HB3 MET A 32 -9.674 -7.006 -4.564 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.626 -6.518 -6.747 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.838 -7.480 -7.570 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.074 -3.316 -5.865 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.845 -4.427 -4.708 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.161 -4.698 -5.215 1.00 0.00 H new ATOM 513 N THR A 33 -6.859 -8.445 -6.074 1.00 0.00 N ATOM 514 CA THR A 33 -5.495 -8.132 -5.933 1.00 0.00 C ATOM 515 C THR A 33 -5.345 -6.611 -5.902 1.00 0.00 C ATOM 516 O THR A 33 -5.454 -5.932 -6.919 1.00 0.00 O ATOM 517 CB THR A 33 -4.685 -8.727 -7.095 1.00 0.00 C ATOM 518 OG1 THR A 33 -5.070 -10.100 -7.289 1.00 0.00 O ATOM 519 CG2 THR A 33 -3.197 -8.665 -6.796 1.00 0.00 C ATOM 0 H THR A 33 -7.166 -8.551 -7.041 1.00 0.00 H new ATOM 0 HA THR A 33 -5.113 -8.559 -5.006 1.00 0.00 H new ATOM 0 HB THR A 33 -4.888 -8.148 -7.996 1.00 0.00 H new ATOM 0 HG1 THR A 33 -4.556 -10.482 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.640 -9.091 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.898 -7.627 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.984 -9.233 -5.890 1.00 0.00 H new ATOM 527 N PHE A 34 -5.174 -6.106 -4.737 1.00 0.00 N ATOM 528 CA PHE A 34 -4.995 -4.719 -4.489 1.00 0.00 C ATOM 529 C PHE A 34 -3.572 -4.287 -4.807 1.00 0.00 C ATOM 530 O PHE A 34 -2.662 -5.126 -4.903 1.00 0.00 O ATOM 531 CB PHE A 34 -5.337 -4.382 -3.054 1.00 0.00 C ATOM 532 CG PHE A 34 -6.801 -4.358 -2.737 1.00 0.00 C ATOM 533 CD1 PHE A 34 -7.516 -5.522 -2.543 1.00 0.00 C ATOM 534 CD2 PHE A 34 -7.458 -3.145 -2.621 1.00 0.00 C ATOM 535 CE1 PHE A 34 -8.861 -5.476 -2.240 1.00 0.00 C ATOM 536 CE2 PHE A 34 -8.795 -3.093 -2.317 1.00 0.00 C ATOM 537 CZ PHE A 34 -9.498 -4.258 -2.126 1.00 0.00 C ATOM 0 H PHE A 34 -5.154 -6.672 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.673 -4.173 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.852 -5.108 -2.401 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.914 -3.406 -2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.019 -6.477 -2.629 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.910 -2.226 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.414 -6.392 -2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.293 -2.139 -2.228 1.00 0.00 H new ATOM 0 HZ PHE A 34 -10.550 -4.220 -1.886 1.00 0.00 H new ATOM 547 N ARG A 35 -3.405 -3.000 -4.948 1.00 0.00 N ATOM 548 CA ARG A 35 -2.196 -2.366 -5.356 1.00 0.00 C ATOM 549 C ARG A 35 -1.830 -1.343 -4.301 1.00 0.00 C ATOM 550 O ARG A 35 -2.712 -0.650 -3.771 1.00 0.00 O ATOM 551 CB ARG A 35 -2.519 -1.648 -6.666 1.00 0.00 C ATOM 552 CG ARG A 35 -1.367 -1.277 -7.588 1.00 0.00 C ATOM 553 CD ARG A 35 -0.509 -0.101 -7.128 1.00 0.00 C ATOM 554 NE ARG A 35 0.402 0.369 -8.201 1.00 0.00 N ATOM 555 CZ ARG A 35 1.621 0.899 -8.022 1.00 0.00 C ATOM 556 NH1 ARG A 35 2.160 0.939 -6.829 1.00 0.00 N ATOM 557 NH2 ARG A 35 2.304 1.349 -9.068 1.00 0.00 N ATOM 0 H ARG A 35 -4.157 -2.334 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.374 -3.070 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.206 -2.278 -7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.056 -0.732 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.724 -2.149 -7.706 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.773 -1.045 -8.573 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.155 0.719 -6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.077 -0.397 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 35 0.071 0.281 -9.162 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.652 0.565 -6.027 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.088 1.344 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.901 1.291 -10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.231 1.753 -8.936 1.00 0.00 H new ATOM 571 N LEU A 36 -0.575 -1.230 -4.010 1.00 0.00 N ATOM 572 CA LEU A 36 -0.108 -0.249 -3.068 1.00 0.00 C ATOM 573 C LEU A 36 -0.058 1.137 -3.690 1.00 0.00 C ATOM 574 O LEU A 36 0.857 1.474 -4.439 1.00 0.00 O ATOM 575 CB LEU A 36 1.257 -0.621 -2.466 1.00 0.00 C ATOM 576 CG LEU A 36 1.305 -1.796 -1.490 1.00 0.00 C ATOM 577 CD1 LEU A 36 2.712 -1.966 -0.950 1.00 0.00 C ATOM 578 CD2 LEU A 36 0.345 -1.586 -0.347 1.00 0.00 C ATOM 0 H LEU A 36 0.159 -1.811 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.831 -0.234 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.938 -0.840 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.648 0.258 -1.953 1.00 0.00 H new ATOM 0 HG LEU A 36 1.011 -2.697 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.736 -2.806 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.398 -2.158 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.015 -1.057 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.398 -2.436 0.333 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.611 -0.675 0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.669 -1.495 -0.736 1.00 0.00 H new ATOM 590 N LEU A 37 -1.109 1.899 -3.438 1.00 0.00 N ATOM 591 CA LEU A 37 -1.168 3.323 -3.784 1.00 0.00 C ATOM 592 C LEU A 37 0.059 4.063 -3.354 1.00 0.00 C ATOM 593 O LEU A 37 0.558 3.876 -2.257 1.00 0.00 O ATOM 594 CB LEU A 37 -2.281 4.040 -3.074 1.00 0.00 C ATOM 595 CG LEU A 37 -3.537 4.416 -3.851 1.00 0.00 C ATOM 596 CD1 LEU A 37 -4.141 5.604 -3.272 1.00 0.00 C ATOM 597 CD2 LEU A 37 -3.240 4.794 -5.188 1.00 0.00 C ATOM 0 H LEU A 37 -1.954 1.552 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.298 3.322 -4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.589 3.418 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.867 4.957 -2.656 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.184 3.539 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.038 5.866 -3.833 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.407 5.408 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.432 6.431 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.163 5.054 -5.706 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.572 5.655 -5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.757 3.963 -5.702 1.00 0.00 H new ATOM 609 N LEU A 38 0.482 4.927 -4.218 1.00 0.00 N ATOM 610 CA LEU A 38 1.574 5.855 -3.999 1.00 0.00 C ATOM 611 C LEU A 38 2.906 5.182 -3.658 1.00 0.00 C ATOM 612 O LEU A 38 3.817 5.817 -3.131 1.00 0.00 O ATOM 613 CB LEU A 38 1.251 6.970 -2.967 1.00 0.00 C ATOM 614 CG LEU A 38 0.271 8.070 -3.419 1.00 0.00 C ATOM 615 CD1 LEU A 38 0.790 8.763 -4.670 1.00 0.00 C ATOM 616 CD2 LEU A 38 -1.108 7.509 -3.660 1.00 0.00 C ATOM 0 H LEU A 38 0.064 5.020 -5.144 1.00 0.00 H new ATOM 0 HA LEU A 38 1.694 6.333 -4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.844 6.498 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.187 7.447 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 38 0.198 8.804 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.086 9.537 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.759 9.216 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.898 8.033 -5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.776 8.310 -3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.060 6.747 -4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.486 7.065 -2.739 1.00 0.00 H new ATOM 628 N VAL A 39 3.064 3.972 -4.081 1.00 0.00 N ATOM 629 CA VAL A 39 4.163 3.146 -3.628 1.00 0.00 C ATOM 630 C VAL A 39 4.949 2.590 -4.777 1.00 0.00 C ATOM 631 O VAL A 39 4.381 2.085 -5.753 1.00 0.00 O ATOM 632 CB VAL A 39 3.637 1.987 -2.724 1.00 0.00 C ATOM 633 CG1 VAL A 39 4.679 0.930 -2.470 1.00 0.00 C ATOM 634 CG2 VAL A 39 3.190 2.525 -1.402 1.00 0.00 C ATOM 0 H VAL A 39 2.443 3.517 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 39 4.831 3.779 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 39 2.806 1.532 -3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.258 0.149 -1.836 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.996 0.496 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.538 1.379 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.825 1.707 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.029 3.012 -0.905 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.389 3.249 -1.556 1.00 0.00 H new ATOM 644 N ASP A 40 6.234 2.739 -4.693 1.00 0.00 N ATOM 645 CA ASP A 40 7.110 2.154 -5.648 1.00 0.00 C ATOM 646 C ASP A 40 7.959 1.151 -4.957 1.00 0.00 C ATOM 647 O ASP A 40 8.933 1.516 -4.289 1.00 0.00 O ATOM 648 CB ASP A 40 8.001 3.184 -6.281 1.00 0.00 C ATOM 649 CG ASP A 40 8.691 2.668 -7.524 1.00 0.00 C ATOM 650 OD1 ASP A 40 8.000 2.158 -8.429 1.00 0.00 O ATOM 651 OD2 ASP A 40 9.918 2.809 -7.649 1.00 0.00 O ATOM 0 H ASP A 40 6.701 3.271 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 40 6.509 1.692 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.410 4.064 -6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.752 3.503 -5.559 1.00 0.00 H new ATOM 656 N THR A 41 7.552 -0.068 -5.025 1.00 0.00 N ATOM 657 CA THR A 41 8.319 -1.157 -4.475 1.00 0.00 C ATOM 658 C THR A 41 9.210 -1.691 -5.556 1.00 0.00 C ATOM 659 O THR A 41 8.858 -1.594 -6.746 1.00 0.00 O ATOM 660 CB THR A 41 7.422 -2.322 -4.030 1.00 0.00 C ATOM 661 OG1 THR A 41 6.485 -2.603 -5.060 1.00 0.00 O ATOM 662 CG2 THR A 41 6.716 -2.046 -2.719 1.00 0.00 C ATOM 0 H THR A 41 6.675 -0.351 -5.463 1.00 0.00 H new ATOM 0 HA THR A 41 8.871 -0.777 -3.615 1.00 0.00 H new ATOM 0 HB THR A 41 8.056 -3.191 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.604 -3.526 -5.367 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.096 -2.902 -2.452 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.455 -1.876 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.088 -1.161 -2.823 1.00 0.00 H new ATOM 891 N GLY A 55 12.229 -6.561 -2.219 1.00 0.00 N ATOM 892 CA GLY A 55 11.002 -6.918 -2.771 1.00 0.00 C ATOM 893 C GLY A 55 10.356 -8.027 -1.985 1.00 0.00 C ATOM 894 O GLY A 55 9.172 -7.931 -1.659 1.00 0.00 O ATOM 0 HA2 GLY A 55 10.343 -6.050 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.143 -7.235 -3.804 1.00 0.00 H new ATOM 898 N PRO A 56 11.099 -9.127 -1.619 1.00 0.00 N ATOM 899 CA PRO A 56 10.521 -10.166 -0.797 1.00 0.00 C ATOM 900 C PRO A 56 10.249 -9.634 0.616 1.00 0.00 C ATOM 901 O PRO A 56 9.295 -10.038 1.272 1.00 0.00 O ATOM 902 CB PRO A 56 11.579 -11.269 -0.807 1.00 0.00 C ATOM 903 CG PRO A 56 12.860 -10.582 -1.071 1.00 0.00 C ATOM 904 CD PRO A 56 12.529 -9.440 -1.964 1.00 0.00 C ATOM 0 HA PRO A 56 9.559 -10.528 -1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 56 11.605 -11.797 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 56 11.365 -12.011 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 56 13.316 -10.234 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 56 13.575 -11.255 -1.545 1.00 0.00 H new ATOM 0 HD2 PRO A 56 13.182 -8.586 -1.782 1.00 0.00 H new ATOM 0 HD3 PRO A 56 12.639 -9.707 -3.015 1.00 0.00 H new ATOM 912 N GLU A 57 11.071 -8.674 1.042 1.00 0.00 N ATOM 913 CA GLU A 57 10.904 -8.003 2.322 1.00 0.00 C ATOM 914 C GLU A 57 9.647 -7.157 2.273 1.00 0.00 C ATOM 915 O GLU A 57 8.843 -7.167 3.199 1.00 0.00 O ATOM 916 CB GLU A 57 12.103 -7.098 2.653 1.00 0.00 C ATOM 917 CG GLU A 57 13.440 -7.798 2.894 1.00 0.00 C ATOM 918 CD GLU A 57 13.928 -8.590 1.715 1.00 0.00 C ATOM 919 OE1 GLU A 57 13.980 -8.046 0.602 1.00 0.00 O ATOM 920 OE2 GLU A 57 14.229 -9.779 1.872 1.00 0.00 O ATOM 0 H GLU A 57 11.872 -8.343 0.504 1.00 0.00 H new ATOM 0 HA GLU A 57 10.832 -8.765 3.098 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.232 -6.389 1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.857 -6.517 3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.190 -7.051 3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.342 -8.463 3.752 1.00 0.00 H new ATOM 927 N ALA A 58 9.475 -6.443 1.156 1.00 0.00 N ATOM 928 CA ALA A 58 8.296 -5.611 0.923 1.00 0.00 C ATOM 929 C ALA A 58 7.061 -6.455 1.005 1.00 0.00 C ATOM 930 O ALA A 58 6.087 -6.119 1.718 1.00 0.00 O ATOM 931 CB ALA A 58 8.357 -4.958 -0.452 1.00 0.00 C ATOM 0 H ALA A 58 10.149 -6.427 0.391 1.00 0.00 H new ATOM 0 HA ALA A 58 8.271 -4.832 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.469 -4.344 -0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.247 -4.332 -0.518 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.399 -5.730 -1.220 1.00 0.00 H new ATOM 937 N SER A 59 7.122 -7.579 0.326 1.00 0.00 N ATOM 938 CA SER A 59 6.024 -8.493 0.272 1.00 0.00 C ATOM 939 C SER A 59 5.708 -8.996 1.657 1.00 0.00 C ATOM 940 O SER A 59 4.565 -8.991 2.059 1.00 0.00 O ATOM 941 CB SER A 59 6.324 -9.670 -0.649 1.00 0.00 C ATOM 942 OG SER A 59 5.138 -10.383 -0.952 1.00 0.00 O ATOM 0 H SER A 59 7.941 -7.878 -0.203 1.00 0.00 H new ATOM 0 HA SER A 59 5.162 -7.961 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.783 -9.310 -1.570 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.044 -10.336 -0.173 1.00 0.00 H new ATOM 0 HG SER A 59 5.350 -11.134 -1.545 1.00 0.00 H new ATOM 948 N ALA A 60 6.742 -9.312 2.427 1.00 0.00 N ATOM 949 CA ALA A 60 6.541 -9.905 3.713 1.00 0.00 C ATOM 950 C ALA A 60 6.153 -8.880 4.733 1.00 0.00 C ATOM 951 O ALA A 60 5.516 -9.200 5.717 1.00 0.00 O ATOM 952 CB ALA A 60 7.729 -10.734 4.151 1.00 0.00 C ATOM 0 H ALA A 60 7.718 -9.163 2.172 1.00 0.00 H new ATOM 0 HA ALA A 60 5.704 -10.598 3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.530 -11.164 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.899 -11.535 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.615 -10.101 4.205 1.00 0.00 H new ATOM 958 N PHE A 61 6.511 -7.647 4.498 1.00 0.00 N ATOM 959 CA PHE A 61 6.088 -6.597 5.375 1.00 0.00 C ATOM 960 C PHE A 61 4.613 -6.309 5.121 1.00 0.00 C ATOM 961 O PHE A 61 3.790 -6.240 6.085 1.00 0.00 O ATOM 962 CB PHE A 61 6.913 -5.341 5.180 1.00 0.00 C ATOM 963 CG PHE A 61 6.711 -4.362 6.287 1.00 0.00 C ATOM 964 CD1 PHE A 61 5.661 -3.475 6.257 1.00 0.00 C ATOM 965 CD2 PHE A 61 7.571 -4.338 7.360 1.00 0.00 C ATOM 966 CE1 PHE A 61 5.466 -2.583 7.269 1.00 0.00 C ATOM 967 CE2 PHE A 61 7.382 -3.445 8.387 1.00 0.00 C ATOM 968 CZ PHE A 61 6.323 -2.562 8.342 1.00 0.00 C ATOM 0 H PHE A 61 7.090 -7.349 3.713 1.00 0.00 H new ATOM 0 HA PHE A 61 6.233 -6.920 6.406 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.968 -5.606 5.119 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.646 -4.876 4.231 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.980 -3.485 5.419 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.402 -5.027 7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.637 -1.892 7.227 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.061 -3.434 9.227 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.169 -1.858 9.146 1.00 0.00 H new ATOM 978 N THR A 62 4.268 -6.178 3.828 1.00 0.00 N ATOM 979 CA THR A 62 2.888 -5.962 3.435 1.00 0.00 C ATOM 980 C THR A 62 2.064 -7.120 4.004 1.00 0.00 C ATOM 981 O THR A 62 1.040 -6.916 4.705 1.00 0.00 O ATOM 982 CB THR A 62 2.734 -5.887 1.871 1.00 0.00 C ATOM 983 OG1 THR A 62 3.681 -4.962 1.345 1.00 0.00 O ATOM 984 CG2 THR A 62 1.356 -5.381 1.520 1.00 0.00 C ATOM 0 H THR A 62 4.929 -6.219 3.052 1.00 0.00 H new ATOM 0 HA THR A 62 2.537 -5.007 3.826 1.00 0.00 H new ATOM 0 HB THR A 62 2.894 -6.882 1.455 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.567 -5.380 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.252 -5.330 0.436 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.605 -6.060 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.214 -4.387 1.945 1.00 0.00 H new ATOM 992 N LYS A 63 2.618 -8.314 3.821 1.00 0.00 N ATOM 993 CA LYS A 63 2.038 -9.534 4.277 1.00 0.00 C ATOM 994 C LYS A 63 1.930 -9.579 5.782 1.00 0.00 C ATOM 995 O LYS A 63 0.920 -9.975 6.274 1.00 0.00 O ATOM 996 CB LYS A 63 2.791 -10.745 3.702 1.00 0.00 C ATOM 997 CG LYS A 63 3.386 -11.680 4.695 1.00 0.00 C ATOM 998 CD LYS A 63 4.163 -12.754 4.014 1.00 0.00 C ATOM 999 CE LYS A 63 4.638 -13.752 5.024 1.00 0.00 C ATOM 1000 NZ LYS A 63 5.510 -14.776 4.416 1.00 0.00 N ATOM 0 H LYS A 63 3.506 -8.444 3.337 1.00 0.00 H new ATOM 0 HA LYS A 63 1.016 -9.581 3.901 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.104 -11.308 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.589 -10.378 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.037 -11.130 5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.596 -12.125 5.300 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.542 -13.247 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.014 -12.322 3.487 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.181 -13.237 5.816 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.779 -14.236 5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.818 -15.448 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.984 -15.285 3.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.343 -14.317 3.995 1.00 0.00 H new ATOM 1014 N LYS A 64 2.965 -9.136 6.518 1.00 0.00 N ATOM 1015 CA LYS A 64 2.897 -9.157 7.950 1.00 0.00 C ATOM 1016 C LYS A 64 1.790 -8.286 8.392 1.00 0.00 C ATOM 1017 O LYS A 64 0.939 -8.739 9.145 1.00 0.00 O ATOM 1018 CB LYS A 64 4.283 -8.885 8.659 1.00 0.00 C ATOM 1019 CG LYS A 64 4.832 -7.452 8.726 1.00 0.00 C ATOM 1020 CD LYS A 64 4.073 -6.622 9.726 1.00 0.00 C ATOM 1021 CE LYS A 64 4.743 -5.309 10.051 1.00 0.00 C ATOM 1022 NZ LYS A 64 6.018 -5.506 10.767 1.00 0.00 N ATOM 0 H LYS A 64 3.835 -8.769 6.133 1.00 0.00 H new ATOM 0 HA LYS A 64 2.669 -10.171 8.277 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.204 -9.252 9.682 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.032 -9.498 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.887 -7.477 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.767 -6.989 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.074 -6.425 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.951 -7.196 10.645 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.925 -4.756 9.129 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.074 -4.701 10.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.970 -5.040 11.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.189 -6.523 10.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.795 -5.094 10.212 1.00 0.00 H new ATOM 1036 N MET A 65 1.718 -7.065 7.828 1.00 0.00 N ATOM 1037 CA MET A 65 0.655 -6.160 8.215 1.00 0.00 C ATOM 1038 C MET A 65 -0.688 -6.763 7.937 1.00 0.00 C ATOM 1039 O MET A 65 -1.527 -6.869 8.837 1.00 0.00 O ATOM 1040 CB MET A 65 0.775 -4.824 7.538 1.00 0.00 C ATOM 1041 CG MET A 65 2.014 -4.078 7.929 1.00 0.00 C ATOM 1042 SD MET A 65 2.150 -2.450 7.179 1.00 0.00 S ATOM 1043 CE MET A 65 0.898 -1.534 8.066 1.00 0.00 C ATOM 0 H MET A 65 2.366 -6.705 7.128 1.00 0.00 H new ATOM 0 HA MET A 65 0.753 -5.996 9.288 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.771 -4.969 6.458 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.099 -4.220 7.782 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.035 -3.971 9.014 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.886 -4.670 7.650 1.00 0.00 H new ATOM 0 HE1 MET A 65 0.174 -1.129 7.359 1.00 0.00 H new ATOM 0 HE2 MET A 65 0.390 -2.197 8.766 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.366 -0.717 8.615 1.00 0.00 H new ATOM 1053 N VAL A 66 -0.885 -7.228 6.735 1.00 0.00 N ATOM 1054 CA VAL A 66 -2.161 -7.795 6.416 1.00 0.00 C ATOM 1055 C VAL A 66 -2.457 -9.126 7.153 1.00 0.00 C ATOM 1056 O VAL A 66 -3.607 -9.430 7.427 1.00 0.00 O ATOM 1057 CB VAL A 66 -2.455 -7.857 4.903 1.00 0.00 C ATOM 1058 CG1 VAL A 66 -2.585 -6.442 4.348 1.00 0.00 C ATOM 1059 CG2 VAL A 66 -1.367 -8.603 4.161 1.00 0.00 C ATOM 0 H VAL A 66 -0.199 -7.226 5.980 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.882 -7.083 6.816 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.391 -8.396 4.759 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.793 -6.488 3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.401 -5.926 4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.654 -5.899 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.604 -8.629 3.097 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.413 -8.096 4.308 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.299 -9.622 4.543 1.00 0.00 H new ATOM 1069 N GLU A 67 -1.439 -9.883 7.519 1.00 0.00 N ATOM 1070 CA GLU A 67 -1.659 -11.092 8.295 1.00 0.00 C ATOM 1071 C GLU A 67 -1.979 -10.759 9.750 1.00 0.00 C ATOM 1072 O GLU A 67 -2.786 -11.443 10.393 1.00 0.00 O ATOM 1073 CB GLU A 67 -0.467 -12.063 8.273 1.00 0.00 C ATOM 1074 CG GLU A 67 -0.143 -12.737 6.946 1.00 0.00 C ATOM 1075 CD GLU A 67 0.834 -13.882 7.124 1.00 0.00 C ATOM 1076 OE1 GLU A 67 1.999 -13.647 7.511 1.00 0.00 O ATOM 1077 OE2 GLU A 67 0.451 -15.049 6.871 1.00 0.00 O ATOM 0 H GLU A 67 -0.463 -9.687 7.296 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.505 -11.586 7.817 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.419 -11.518 8.600 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.653 -12.843 9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.062 -13.109 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.277 -12.003 6.258 1.00 0.00 H new ATOM 1084 N ASN A 68 -1.361 -9.720 10.276 1.00 0.00 N ATOM 1085 CA ASN A 68 -1.550 -9.379 11.686 1.00 0.00 C ATOM 1086 C ASN A 68 -2.681 -8.465 11.894 1.00 0.00 C ATOM 1087 O ASN A 68 -3.181 -8.326 13.022 1.00 0.00 O ATOM 1088 CB ASN A 68 -0.264 -8.845 12.339 1.00 0.00 C ATOM 1089 CG ASN A 68 0.312 -7.570 11.778 1.00 0.00 C ATOM 1090 OD1 ASN A 68 -0.370 -6.595 11.485 1.00 0.00 O ATOM 1091 ND2 ASN A 68 1.606 -7.607 11.582 1.00 0.00 N ATOM 0 H ASN A 68 -0.732 -9.101 9.764 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.798 -10.313 12.190 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.463 -8.689 13.399 1.00 0.00 H new ATOM 0 HB3 ASN A 68 0.499 -9.621 12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.083 -6.804 11.171 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.137 -8.439 11.840 1.00 0.00 H new ATOM 1098 N ALA A 69 -3.114 -7.840 10.845 1.00 0.00 N ATOM 1099 CA ALA A 69 -4.140 -6.934 10.975 1.00 0.00 C ATOM 1100 C ALA A 69 -5.480 -7.573 11.170 1.00 0.00 C ATOM 1101 O ALA A 69 -5.902 -8.472 10.443 1.00 0.00 O ATOM 1102 CB ALA A 69 -4.189 -5.970 9.859 1.00 0.00 C ATOM 0 H ALA A 69 -2.753 -7.961 9.899 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.909 -6.386 11.889 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.017 -5.278 10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.253 -5.413 9.818 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.333 -6.506 8.921 1.00 0.00 H new ATOM 1108 N LYS A 70 -6.128 -7.064 12.144 1.00 0.00 N ATOM 1109 CA LYS A 70 -7.470 -7.415 12.511 1.00 0.00 C ATOM 1110 C LYS A 70 -8.355 -6.478 11.713 1.00 0.00 C ATOM 1111 O LYS A 70 -9.513 -6.745 11.427 1.00 0.00 O ATOM 1112 CB LYS A 70 -7.712 -7.117 14.009 1.00 0.00 C ATOM 1113 CG LYS A 70 -6.750 -7.703 15.044 1.00 0.00 C ATOM 1114 CD LYS A 70 -5.410 -6.988 14.991 1.00 0.00 C ATOM 1115 CE LYS A 70 -4.695 -7.015 16.293 1.00 0.00 C ATOM 1116 NZ LYS A 70 -3.431 -6.254 16.207 1.00 0.00 N ATOM 0 H LYS A 70 -5.726 -6.349 12.750 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.665 -8.471 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.711 -6.034 14.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.715 -7.465 14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.179 -7.610 16.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.609 -8.767 14.856 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.785 -7.452 14.228 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.567 -5.953 14.688 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.329 -6.591 17.071 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.487 -8.046 16.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.038 -6.124 17.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.750 -6.777 15.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.614 -5.324 15.779 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.741 -5.375 11.355 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.347 -4.323 10.622 1.00 0.00 C ATOM 1132 C LYS A 71 -7.705 -4.180 9.312 1.00 0.00 C ATOM 1133 O LYS A 71 -6.605 -3.692 9.217 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.197 -3.016 11.347 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.671 -1.838 10.546 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.555 -0.573 11.315 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.679 -0.389 12.321 1.00 0.00 C ATOM 1138 NZ LYS A 71 -10.995 -0.269 11.653 1.00 0.00 N ATOM 0 H LYS A 71 -6.764 -5.192 11.583 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.402 -4.570 10.506 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.756 -3.060 12.282 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.149 -2.871 11.609 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.087 -1.762 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.709 -1.992 10.251 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.599 -0.558 11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.552 0.269 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.695 -1.235 13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.491 0.503 12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.488 0.575 12.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.856 -0.184 10.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.566 -1.114 11.856 1.00 0.00 H new ATOM 1152 N ILE A 72 -8.303 -4.644 8.335 1.00 0.00 N ATOM 1153 CA ILE A 72 -7.825 -4.342 7.054 1.00 0.00 C ATOM 1154 C ILE A 72 -8.833 -3.580 6.332 1.00 0.00 C ATOM 1155 O ILE A 72 -9.862 -4.099 5.910 1.00 0.00 O ATOM 1156 CB ILE A 72 -7.353 -5.527 6.240 1.00 0.00 C ATOM 1157 CG1 ILE A 72 -6.185 -6.168 6.960 1.00 0.00 C ATOM 1158 CG2 ILE A 72 -6.914 -5.021 4.846 1.00 0.00 C ATOM 1159 CD1 ILE A 72 -5.810 -7.503 6.419 1.00 0.00 C ATOM 0 H ILE A 72 -9.130 -5.239 8.373 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.923 -3.748 7.203 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.149 -6.262 6.120 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.322 -5.505 6.897 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.432 -6.270 8.017 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.570 -5.863 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.758 -4.542 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.103 -4.301 4.959 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.967 -7.901 6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.658 -8.182 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.531 -7.405 5.370 1.00 0.00 H new ATOM 1171 N GLU A 73 -8.599 -2.352 6.270 1.00 0.00 N ATOM 1172 CA GLU A 73 -9.432 -1.525 5.510 1.00 0.00 C ATOM 1173 C GLU A 73 -8.707 -0.989 4.334 1.00 0.00 C ATOM 1174 O GLU A 73 -7.489 -0.982 4.284 1.00 0.00 O ATOM 1175 CB GLU A 73 -10.007 -0.418 6.301 1.00 0.00 C ATOM 1176 CG GLU A 73 -11.076 -0.835 7.288 1.00 0.00 C ATOM 1177 CD GLU A 73 -11.606 0.297 8.132 1.00 0.00 C ATOM 1178 OE1 GLU A 73 -10.958 0.683 9.137 1.00 0.00 O ATOM 1179 OE2 GLU A 73 -12.700 0.798 7.834 1.00 0.00 O ATOM 0 H GLU A 73 -7.827 -1.880 6.741 1.00 0.00 H new ATOM 0 HA GLU A 73 -10.262 -2.145 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -9.203 0.078 6.845 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.430 0.318 5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.904 -1.286 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -10.670 -1.605 7.944 1.00 0.00 H new ATOM 1186 N VAL A 74 -9.447 -0.565 3.403 1.00 0.00 N ATOM 1187 CA VAL A 74 -8.942 -0.036 2.184 1.00 0.00 C ATOM 1188 C VAL A 74 -9.648 1.264 1.908 1.00 0.00 C ATOM 1189 O VAL A 74 -10.754 1.444 2.334 1.00 0.00 O ATOM 1190 CB VAL A 74 -9.191 -1.028 1.025 1.00 0.00 C ATOM 1191 CG1 VAL A 74 -8.379 -2.283 1.203 1.00 0.00 C ATOM 1192 CG2 VAL A 74 -10.659 -1.397 1.008 1.00 0.00 C ATOM 0 H VAL A 74 -10.466 -0.570 3.455 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.868 0.128 2.267 1.00 0.00 H new ATOM 0 HB VAL A 74 -8.897 -0.552 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.574 -2.963 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.319 -2.031 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.656 -2.766 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.849 -2.097 0.194 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.928 -1.861 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.258 -0.499 0.861 1.00 0.00 H new ATOM 1202 N GLU A 75 -9.023 2.147 1.229 1.00 0.00 N ATOM 1203 CA GLU A 75 -9.612 3.420 0.974 1.00 0.00 C ATOM 1204 C GLU A 75 -9.308 3.832 -0.436 1.00 0.00 C ATOM 1205 O GLU A 75 -8.188 4.229 -0.742 1.00 0.00 O ATOM 1206 CB GLU A 75 -9.062 4.418 1.979 1.00 0.00 C ATOM 1207 CG GLU A 75 -9.801 5.728 2.039 1.00 0.00 C ATOM 1208 CD GLU A 75 -9.490 6.524 3.286 1.00 0.00 C ATOM 1209 OE1 GLU A 75 -8.371 7.063 3.421 1.00 0.00 O ATOM 1210 OE2 GLU A 75 -10.363 6.603 4.176 1.00 0.00 O ATOM 0 H GLU A 75 -8.092 2.018 0.832 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.696 3.377 1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.079 3.962 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -8.018 4.617 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.547 6.323 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.873 5.537 1.995 1.00 0.00 H new ATOM 1217 N PHE A 76 -10.270 3.664 -1.311 1.00 0.00 N ATOM 1218 CA PHE A 76 -10.079 4.016 -2.689 1.00 0.00 C ATOM 1219 C PHE A 76 -9.943 5.501 -2.858 1.00 0.00 C ATOM 1220 O PHE A 76 -10.696 6.285 -2.266 1.00 0.00 O ATOM 1221 CB PHE A 76 -11.160 3.445 -3.588 1.00 0.00 C ATOM 1222 CG PHE A 76 -11.077 1.961 -3.767 1.00 0.00 C ATOM 1223 CD1 PHE A 76 -11.706 1.080 -2.897 1.00 0.00 C ATOM 1224 CD2 PHE A 76 -10.350 1.447 -4.818 1.00 0.00 C ATOM 1225 CE1 PHE A 76 -11.598 -0.278 -3.088 1.00 0.00 C ATOM 1226 CE2 PHE A 76 -10.241 0.099 -5.012 1.00 0.00 C ATOM 1227 CZ PHE A 76 -10.866 -0.771 -4.147 1.00 0.00 C ATOM 0 H PHE A 76 -11.191 3.286 -1.089 1.00 0.00 H new ATOM 0 HA PHE A 76 -9.142 3.559 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.136 3.697 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.097 3.923 -4.565 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.282 1.462 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.857 2.122 -5.502 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.087 -0.959 -2.407 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.666 -0.283 -5.842 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.783 -1.837 -4.298 1.00 0.00 H new ATOM 1237 N ASP A 77 -9.006 5.873 -3.683 1.00 0.00 N ATOM 1238 CA ASP A 77 -8.662 7.272 -3.859 1.00 0.00 C ATOM 1239 C ASP A 77 -9.426 7.820 -5.030 1.00 0.00 C ATOM 1240 O ASP A 77 -10.158 7.080 -5.681 1.00 0.00 O ATOM 1241 CB ASP A 77 -7.204 7.419 -4.105 1.00 0.00 C ATOM 1242 CG ASP A 77 -6.640 8.789 -3.650 1.00 0.00 C ATOM 1243 OD1 ASP A 77 -6.917 9.782 -4.313 1.00 0.00 O ATOM 1244 OD2 ASP A 77 -5.918 8.880 -2.635 1.00 0.00 O ATOM 0 H ASP A 77 -8.458 5.228 -4.252 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.921 7.821 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.673 6.624 -3.583 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.007 7.288 -5.169 1.00 0.00 H new ATOM 1249 N LYS A 78 -9.207 9.054 -5.376 1.00 0.00 N ATOM 1250 CA LYS A 78 -10.029 9.660 -6.398 1.00 0.00 C ATOM 1251 C LYS A 78 -9.333 9.705 -7.738 1.00 0.00 C ATOM 1252 O LYS A 78 -9.783 10.373 -8.677 1.00 0.00 O ATOM 1253 CB LYS A 78 -10.634 11.048 -6.005 1.00 0.00 C ATOM 1254 CG LYS A 78 -9.652 12.249 -5.914 1.00 0.00 C ATOM 1255 CD LYS A 78 -8.744 12.233 -4.683 1.00 0.00 C ATOM 1256 CE LYS A 78 -9.506 12.452 -3.374 1.00 0.00 C ATOM 1257 NZ LYS A 78 -10.088 13.814 -3.256 1.00 0.00 N ATOM 0 H LYS A 78 -8.484 9.655 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.888 8.995 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.407 11.298 -6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.127 10.941 -5.039 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.030 12.262 -6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.228 13.174 -5.913 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.221 11.278 -4.637 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.984 13.008 -4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.305 11.715 -3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.832 12.278 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.487 13.940 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.345 14.524 -3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.840 13.933 -3.965 1.00 0.00 H new ATOM 1271 N GLY A 79 -8.288 8.964 -7.858 1.00 0.00 N ATOM 1272 CA GLY A 79 -7.572 8.945 -9.069 1.00 0.00 C ATOM 1273 C GLY A 79 -7.996 7.860 -9.979 1.00 0.00 C ATOM 1274 O GLY A 79 -8.242 8.088 -11.152 1.00 0.00 O ATOM 0 H GLY A 79 -7.914 8.363 -7.124 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.698 9.903 -9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.509 8.835 -8.854 1.00 0.00 H new ATOM 1278 N GLN A 80 -8.069 6.675 -9.419 1.00 0.00 N ATOM 1279 CA GLN A 80 -8.268 5.461 -10.140 1.00 0.00 C ATOM 1280 C GLN A 80 -8.645 4.439 -9.099 1.00 0.00 C ATOM 1281 O GLN A 80 -8.555 4.740 -7.915 1.00 0.00 O ATOM 1282 CB GLN A 80 -6.925 5.058 -10.702 1.00 0.00 C ATOM 1283 CG GLN A 80 -6.958 4.288 -11.986 1.00 0.00 C ATOM 1284 CD GLN A 80 -7.277 5.169 -13.183 1.00 0.00 C ATOM 1285 OE1 GLN A 80 -7.858 4.729 -14.164 1.00 0.00 O ATOM 1286 NE2 GLN A 80 -6.860 6.406 -13.115 1.00 0.00 N ATOM 0 H GLN A 80 -7.987 6.536 -8.412 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.014 5.551 -10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.332 5.959 -10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -6.405 4.459 -9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -5.994 3.804 -12.141 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.703 3.496 -11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.379 6.737 -12.279 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.016 7.041 -13.898 1.00 0.00 H new ATOM 1295 N ARG A 81 -9.057 3.268 -9.497 1.00 0.00 N ATOM 1296 CA ARG A 81 -9.374 2.237 -8.517 1.00 0.00 C ATOM 1297 C ARG A 81 -8.578 0.945 -8.798 1.00 0.00 C ATOM 1298 O ARG A 81 -8.584 0.010 -8.014 1.00 0.00 O ATOM 1299 CB ARG A 81 -10.858 1.924 -8.552 1.00 0.00 C ATOM 1300 CG ARG A 81 -11.803 3.117 -8.434 1.00 0.00 C ATOM 1301 CD ARG A 81 -11.720 3.859 -7.106 1.00 0.00 C ATOM 1302 NE ARG A 81 -13.011 4.560 -6.901 1.00 0.00 N ATOM 1303 CZ ARG A 81 -13.374 5.362 -5.893 1.00 0.00 C ATOM 1304 NH1 ARG A 81 -12.487 5.944 -5.123 1.00 0.00 N ATOM 1305 NH2 ARG A 81 -14.646 5.672 -5.750 1.00 0.00 N ATOM 0 H ARG A 81 -9.183 2.995 -10.472 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.099 2.614 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -11.076 1.405 -9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -11.081 1.230 -7.742 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -11.587 3.817 -9.241 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -12.826 2.770 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -11.529 3.162 -6.290 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.895 4.571 -7.117 1.00 0.00 H new ATOM 0 HE ARG A 81 -13.715 4.411 -7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -11.492 5.790 -5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -12.792 6.551 -4.362 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -15.338 5.302 -6.402 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.940 6.282 -4.987 1.00 0.00 H new ATOM 1319 N THR A 82 -7.888 0.940 -9.901 1.00 0.00 N ATOM 1320 CA THR A 82 -7.123 -0.197 -10.426 1.00 0.00 C ATOM 1321 C THR A 82 -5.866 0.269 -11.264 1.00 0.00 C ATOM 1322 O THR A 82 -5.992 1.149 -12.110 1.00 0.00 O ATOM 1323 CB THR A 82 -8.052 -1.115 -11.274 1.00 0.00 C ATOM 1324 OG1 THR A 82 -8.954 -0.316 -12.068 1.00 0.00 O ATOM 1325 CG2 THR A 82 -8.858 -2.062 -10.396 1.00 0.00 C ATOM 0 H THR A 82 -7.829 1.761 -10.503 1.00 0.00 H new ATOM 0 HA THR A 82 -6.741 -0.765 -9.578 1.00 0.00 H new ATOM 0 HB THR A 82 -7.414 -1.711 -11.927 1.00 0.00 H new ATOM 0 HG1 THR A 82 -9.532 -0.904 -12.598 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.494 -2.687 -11.023 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.179 -2.695 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.479 -1.484 -9.711 1.00 0.00 H new ATOM 1333 N ASP A 83 -4.656 -0.324 -10.996 1.00 0.00 N ATOM 1334 CA ASP A 83 -3.381 0.094 -11.689 1.00 0.00 C ATOM 1335 C ASP A 83 -2.600 -1.041 -12.438 1.00 0.00 C ATOM 1336 O ASP A 83 -3.006 -1.416 -13.513 1.00 0.00 O ATOM 1337 CB ASP A 83 -2.454 0.860 -10.722 1.00 0.00 C ATOM 1338 CG ASP A 83 -1.059 1.221 -11.259 1.00 0.00 C ATOM 1339 OD1 ASP A 83 -0.900 2.124 -12.094 1.00 0.00 O ATOM 1340 OD2 ASP A 83 -0.090 0.567 -10.823 1.00 0.00 O ATOM 0 H ASP A 83 -4.534 -1.078 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.715 0.756 -12.488 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.955 1.781 -10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.329 0.260 -9.820 1.00 0.00 H new ATOM 1345 N LYS A 84 -1.536 -1.628 -11.771 1.00 0.00 N ATOM 1346 CA LYS A 84 -0.490 -2.583 -12.358 1.00 0.00 C ATOM 1347 C LYS A 84 -0.990 -3.331 -13.587 1.00 0.00 C ATOM 1348 O LYS A 84 -0.500 -3.153 -14.695 1.00 0.00 O ATOM 1349 CB LYS A 84 -0.056 -3.634 -11.308 1.00 0.00 C ATOM 1350 CG LYS A 84 0.304 -3.087 -9.937 1.00 0.00 C ATOM 1351 CD LYS A 84 1.661 -2.399 -9.859 1.00 0.00 C ATOM 1352 CE LYS A 84 2.812 -3.398 -9.914 1.00 0.00 C ATOM 1353 NZ LYS A 84 4.075 -2.782 -9.478 1.00 0.00 N ATOM 0 H LYS A 84 -1.372 -1.449 -10.780 1.00 0.00 H new ATOM 0 HA LYS A 84 0.350 -1.953 -12.651 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -0.863 -4.357 -11.190 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.804 -4.178 -11.699 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.465 -2.378 -9.631 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.286 -3.906 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.756 -1.691 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.724 -1.824 -8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.584 -4.254 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.921 -3.775 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.729 -3.523 -9.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.503 -2.267 -10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.887 -2.120 -8.698 1.00 0.00 H new ATOM 1367 N TYR A 85 -1.954 -4.161 -13.347 1.00 0.00 N ATOM 1368 CA TYR A 85 -2.649 -4.954 -14.356 1.00 0.00 C ATOM 1369 C TYR A 85 -4.103 -4.855 -14.024 1.00 0.00 C ATOM 1370 O TYR A 85 -4.888 -5.769 -14.238 1.00 0.00 O ATOM 1371 CB TYR A 85 -2.192 -6.423 -14.318 1.00 0.00 C ATOM 1372 CG TYR A 85 -0.827 -6.667 -14.916 1.00 0.00 C ATOM 1373 CD1 TYR A 85 0.332 -6.525 -14.166 1.00 0.00 C ATOM 1374 CD2 TYR A 85 -0.705 -7.045 -16.243 1.00 0.00 C ATOM 1375 CE1 TYR A 85 1.574 -6.749 -14.726 1.00 0.00 C ATOM 1376 CE2 TYR A 85 0.527 -7.271 -16.808 1.00 0.00 C ATOM 1377 CZ TYR A 85 1.662 -7.125 -16.048 1.00 0.00 C ATOM 1378 OH TYR A 85 2.896 -7.349 -16.618 1.00 0.00 O ATOM 0 H TYR A 85 -2.307 -4.325 -12.404 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.436 -4.585 -15.359 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.188 -6.763 -13.282 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -2.923 -7.032 -14.850 1.00 0.00 H new ATOM 0 HD1 TYR A 85 0.261 -6.235 -13.128 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -1.594 -7.164 -16.844 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.469 -6.630 -14.133 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.603 -7.562 -17.845 1.00 0.00 H new ATOM 0 HH TYR A 85 2.781 -7.608 -17.556 1.00 0.00 H new ATOM 1388 N GLY A 86 -4.450 -3.704 -13.521 1.00 0.00 N ATOM 1389 CA GLY A 86 -5.760 -3.466 -13.031 1.00 0.00 C ATOM 1390 C GLY A 86 -5.910 -3.984 -11.622 1.00 0.00 C ATOM 1391 O GLY A 86 -6.947 -4.489 -11.237 1.00 0.00 O ATOM 0 H GLY A 86 -3.821 -2.905 -13.443 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -5.973 -2.397 -13.054 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.489 -3.950 -13.680 1.00 0.00 H new ATOM 1395 N ARG A 87 -4.842 -3.879 -10.856 1.00 0.00 N ATOM 1396 CA ARG A 87 -4.875 -4.271 -9.457 1.00 0.00 C ATOM 1397 C ARG A 87 -5.487 -3.119 -8.692 1.00 0.00 C ATOM 1398 O ARG A 87 -5.334 -2.011 -9.111 1.00 0.00 O ATOM 1399 CB ARG A 87 -3.475 -4.573 -8.958 1.00 0.00 C ATOM 1400 CG ARG A 87 -2.712 -5.552 -9.843 1.00 0.00 C ATOM 1401 CD ARG A 87 -3.435 -6.874 -10.004 1.00 0.00 C ATOM 1402 NE ARG A 87 -2.661 -7.813 -10.810 1.00 0.00 N ATOM 1403 CZ ARG A 87 -3.170 -8.822 -11.546 1.00 0.00 C ATOM 1404 NH1 ARG A 87 -4.492 -8.953 -11.703 1.00 0.00 N ATOM 1405 NH2 ARG A 87 -2.345 -9.677 -12.135 1.00 0.00 N ATOM 0 H ARG A 87 -3.940 -3.526 -11.177 1.00 0.00 H new ATOM 0 HA ARG A 87 -5.464 -5.177 -9.318 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.913 -3.642 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.537 -4.980 -7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.557 -5.104 -10.825 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.726 -5.731 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -3.626 -7.307 -9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.405 -6.705 -10.472 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.648 -7.696 -10.817 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -5.126 -8.286 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -4.866 -9.720 -12.262 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.336 -9.568 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.719 -10.444 -12.694 1.00 0.00 H new ATOM 1419 N GLY A 88 -6.040 -3.354 -7.550 1.00 0.00 N ATOM 1420 CA GLY A 88 -6.897 -2.383 -6.954 1.00 0.00 C ATOM 1421 C GLY A 88 -6.176 -1.401 -6.185 1.00 0.00 C ATOM 1422 O GLY A 88 -5.658 -1.639 -5.111 1.00 0.00 O ATOM 0 H GLY A 88 -5.915 -4.210 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.467 -1.880 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -7.616 -2.887 -6.309 1.00 0.00 H new ATOM 1426 N LEU A 89 -6.193 -0.323 -6.743 1.00 0.00 N ATOM 1427 CA LEU A 89 -5.445 0.764 -6.452 1.00 0.00 C ATOM 1428 C LEU A 89 -6.227 1.625 -5.472 1.00 0.00 C ATOM 1429 O LEU A 89 -7.254 2.213 -5.815 1.00 0.00 O ATOM 1430 CB LEU A 89 -5.247 1.328 -7.855 1.00 0.00 C ATOM 1431 CG LEU A 89 -4.452 2.560 -8.121 1.00 0.00 C ATOM 1432 CD1 LEU A 89 -5.126 3.796 -7.600 1.00 0.00 C ATOM 1433 CD2 LEU A 89 -3.080 2.335 -7.558 1.00 0.00 C ATOM 0 H LEU A 89 -6.819 -0.149 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.487 0.630 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.797 0.533 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.242 1.506 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.371 2.742 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.508 4.667 -7.818 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.097 3.911 -8.081 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.263 3.709 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.465 3.218 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.152 2.150 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.624 1.473 -8.045 1.00 0.00 H new ATOM 1445 N ALA A 90 -5.760 1.617 -4.244 1.00 0.00 N ATOM 1446 CA ALA A 90 -6.398 2.280 -3.147 1.00 0.00 C ATOM 1447 C ALA A 90 -5.417 2.353 -2.015 1.00 0.00 C ATOM 1448 O ALA A 90 -4.318 1.765 -2.098 1.00 0.00 O ATOM 1449 CB ALA A 90 -7.601 1.466 -2.691 1.00 0.00 C ATOM 0 H ALA A 90 -4.901 1.133 -3.981 1.00 0.00 H new ATOM 0 HA ALA A 90 -6.723 3.276 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.087 1.971 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.307 1.367 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -7.272 0.476 -2.375 1.00 0.00 H new ATOM 1455 N TYR A 91 -5.772 3.062 -0.985 1.00 0.00 N ATOM 1456 CA TYR A 91 -4.989 3.081 0.188 1.00 0.00 C ATOM 1457 C TYR A 91 -5.333 1.890 0.988 1.00 0.00 C ATOM 1458 O TYR A 91 -6.470 1.438 0.972 1.00 0.00 O ATOM 1459 CB TYR A 91 -5.192 4.350 0.994 1.00 0.00 C ATOM 1460 CG TYR A 91 -4.367 5.487 0.505 1.00 0.00 C ATOM 1461 CD1 TYR A 91 -3.004 5.351 0.452 1.00 0.00 C ATOM 1462 CD2 TYR A 91 -4.924 6.689 0.128 1.00 0.00 C ATOM 1463 CE1 TYR A 91 -2.204 6.352 0.042 1.00 0.00 C ATOM 1464 CE2 TYR A 91 -4.124 7.728 -0.299 1.00 0.00 C ATOM 1465 CZ TYR A 91 -2.758 7.557 -0.339 1.00 0.00 C ATOM 1466 OH TYR A 91 -1.940 8.591 -0.769 1.00 0.00 O ATOM 0 H TYR A 91 -6.613 3.638 -0.946 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.935 3.063 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.245 4.631 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.948 4.154 2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.559 4.412 0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.995 6.819 0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.133 6.213 0.011 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.565 8.667 -0.599 1.00 0.00 H new ATOM 0 HH TYR A 91 -2.277 8.943 -1.619 1.00 0.00 H new ATOM 1476 N ILE A 92 -4.389 1.357 1.636 1.00 0.00 N ATOM 1477 CA ILE A 92 -4.613 0.184 2.384 1.00 0.00 C ATOM 1478 C ILE A 92 -4.177 0.370 3.830 1.00 0.00 C ATOM 1479 O ILE A 92 -3.062 0.830 4.118 1.00 0.00 O ATOM 1480 CB ILE A 92 -3.953 -1.038 1.705 1.00 0.00 C ATOM 1481 CG1 ILE A 92 -4.075 -2.275 2.570 1.00 0.00 C ATOM 1482 CG2 ILE A 92 -2.530 -0.744 1.313 1.00 0.00 C ATOM 1483 CD1 ILE A 92 -3.550 -3.544 1.930 1.00 0.00 C ATOM 0 H ILE A 92 -3.434 1.715 1.669 1.00 0.00 H new ATOM 0 HA ILE A 92 -5.684 -0.018 2.408 1.00 0.00 H new ATOM 0 HB ILE A 92 -4.493 -1.246 0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.538 -2.105 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -5.124 -2.420 2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.094 -1.623 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.510 0.093 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.953 -0.488 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -3.677 -4.379 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.103 -3.744 1.012 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.492 -3.423 1.698 1.00 0.00 H new ATOM 1495 N TYR A 93 -5.065 0.033 4.719 1.00 0.00 N ATOM 1496 CA TYR A 93 -4.883 0.214 6.122 1.00 0.00 C ATOM 1497 C TYR A 93 -4.921 -1.141 6.784 1.00 0.00 C ATOM 1498 O TYR A 93 -5.924 -1.864 6.703 1.00 0.00 O ATOM 1499 CB TYR A 93 -5.984 1.120 6.692 1.00 0.00 C ATOM 1500 CG TYR A 93 -5.993 2.556 6.160 1.00 0.00 C ATOM 1501 CD1 TYR A 93 -6.467 2.864 4.878 1.00 0.00 C ATOM 1502 CD2 TYR A 93 -5.577 3.608 6.965 1.00 0.00 C ATOM 1503 CE1 TYR A 93 -6.520 4.168 4.429 1.00 0.00 C ATOM 1504 CE2 TYR A 93 -5.620 4.913 6.516 1.00 0.00 C ATOM 1505 CZ TYR A 93 -6.093 5.189 5.252 1.00 0.00 C ATOM 1506 OH TYR A 93 -6.164 6.499 4.821 1.00 0.00 O ATOM 0 H TYR A 93 -5.962 -0.388 4.476 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.923 0.694 6.314 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.952 0.665 6.479 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.879 1.153 7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.797 2.066 4.229 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -5.213 3.402 7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.893 4.387 3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.283 5.716 7.155 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.994 6.633 4.317 1.00 0.00 H new ATOM 1516 N ALA A 94 -3.886 -1.436 7.507 1.00 0.00 N ATOM 1517 CA ALA A 94 -3.670 -2.734 8.071 1.00 0.00 C ATOM 1518 C ALA A 94 -3.406 -2.517 9.481 1.00 0.00 C ATOM 1519 O ALA A 94 -2.432 -1.839 9.871 1.00 0.00 O ATOM 1520 CB ALA A 94 -2.523 -3.484 7.425 1.00 0.00 C ATOM 0 H ALA A 94 -3.150 -0.766 7.727 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.547 -3.359 7.902 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.413 -4.459 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.728 -3.618 6.363 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.601 -2.915 7.548 1.00 0.00 H new ATOM 1526 N ASP A 95 -4.384 -2.904 10.228 1.00 0.00 N ATOM 1527 CA ASP A 95 -4.475 -2.754 11.659 1.00 0.00 C ATOM 1528 C ASP A 95 -4.685 -1.272 11.940 1.00 0.00 C ATOM 1529 O ASP A 95 -4.684 -0.791 13.058 1.00 0.00 O ATOM 1530 CB ASP A 95 -3.255 -3.399 12.371 1.00 0.00 C ATOM 1531 CG ASP A 95 -3.240 -3.302 13.876 1.00 0.00 C ATOM 1532 OD1 ASP A 95 -3.893 -4.123 14.552 1.00 0.00 O ATOM 1533 OD2 ASP A 95 -2.539 -2.423 14.407 1.00 0.00 O ATOM 0 H ASP A 95 -5.204 -3.367 9.836 1.00 0.00 H new ATOM 0 HA ASP A 95 -5.324 -3.296 12.076 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -3.213 -4.452 12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -2.347 -2.933 11.988 1.00 0.00 H new ATOM 1538 N GLY A 96 -4.936 -0.591 10.851 1.00 0.00 N ATOM 1539 CA GLY A 96 -5.164 0.769 10.830 1.00 0.00 C ATOM 1540 C GLY A 96 -3.991 1.559 10.394 1.00 0.00 C ATOM 1541 O GLY A 96 -4.081 2.770 10.259 1.00 0.00 O ATOM 0 H GLY A 96 -4.982 -1.023 9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -6.001 0.979 10.164 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.461 1.095 11.827 1.00 0.00 H new ATOM 1545 N LYS A 97 -2.880 0.909 10.176 1.00 0.00 N ATOM 1546 CA LYS A 97 -1.745 1.638 9.704 1.00 0.00 C ATOM 1547 C LYS A 97 -1.712 1.565 8.220 1.00 0.00 C ATOM 1548 O LYS A 97 -2.040 0.527 7.652 1.00 0.00 O ATOM 1549 CB LYS A 97 -0.434 1.139 10.291 1.00 0.00 C ATOM 1550 CG LYS A 97 -0.258 1.381 11.791 1.00 0.00 C ATOM 1551 CD LYS A 97 -0.710 0.207 12.661 1.00 0.00 C ATOM 1552 CE LYS A 97 0.115 -1.045 12.379 1.00 0.00 C ATOM 1553 NZ LYS A 97 -0.097 -2.091 13.388 1.00 0.00 N ATOM 0 H LYS A 97 -2.741 -0.092 10.313 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.850 2.672 10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.353 0.069 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.389 1.620 9.763 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.792 1.590 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.821 2.270 12.075 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.618 0.476 13.713 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.764 -0.001 12.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.145 -1.435 11.395 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.172 -0.782 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.188 -3.014 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.713 -2.113 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.966 -1.887 13.922 1.00 0.00 H new ATOM 1567 N MET A 98 -1.348 2.642 7.597 1.00 0.00 N ATOM 1568 CA MET A 98 -1.285 2.712 6.173 1.00 0.00 C ATOM 1569 C MET A 98 -0.148 1.829 5.709 1.00 0.00 C ATOM 1570 O MET A 98 1.019 2.116 5.986 1.00 0.00 O ATOM 1571 CB MET A 98 -1.013 4.140 5.732 1.00 0.00 C ATOM 1572 CG MET A 98 -1.045 4.323 4.232 1.00 0.00 C ATOM 1573 SD MET A 98 -2.690 4.605 3.608 1.00 0.00 S ATOM 1574 CE MET A 98 -2.938 6.287 4.173 1.00 0.00 C ATOM 0 H MET A 98 -1.083 3.506 8.069 1.00 0.00 H new ATOM 0 HA MET A 98 -2.232 2.384 5.745 1.00 0.00 H new ATOM 0 HB2 MET A 98 -1.752 4.800 6.187 1.00 0.00 H new ATOM 0 HB3 MET A 98 -0.037 4.448 6.107 1.00 0.00 H new ATOM 0 HG2 MET A 98 -0.408 5.165 3.959 1.00 0.00 H new ATOM 0 HG3 MET A 98 -0.626 3.438 3.753 1.00 0.00 H new ATOM 0 HE1 MET A 98 -3.685 6.775 3.547 1.00 0.00 H new ATOM 0 HE2 MET A 98 -3.283 6.276 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 98 -1.998 6.834 4.110 1.00 0.00 H new ATOM 1584 N VAL A 99 -0.484 0.770 5.016 1.00 0.00 N ATOM 1585 CA VAL A 99 0.501 -0.199 4.542 1.00 0.00 C ATOM 1586 C VAL A 99 1.398 0.456 3.525 1.00 0.00 C ATOM 1587 O VAL A 99 2.591 0.221 3.490 1.00 0.00 O ATOM 1588 CB VAL A 99 -0.188 -1.417 3.894 1.00 0.00 C ATOM 1589 CG1 VAL A 99 0.797 -2.471 3.483 1.00 0.00 C ATOM 1590 CG2 VAL A 99 -1.220 -1.996 4.799 1.00 0.00 C ATOM 0 H VAL A 99 -1.445 0.546 4.759 1.00 0.00 H new ATOM 0 HA VAL A 99 1.084 -0.541 5.397 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.680 -1.056 2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.266 -3.309 3.032 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.497 -2.053 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.345 -2.818 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.689 -2.853 4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.750 -2.316 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.977 -1.243 5.016 1.00 0.00 H new ATOM 1600 N ASN A 100 0.811 1.348 2.759 1.00 0.00 N ATOM 1601 CA ASN A 100 1.526 2.046 1.697 1.00 0.00 C ATOM 1602 C ASN A 100 2.670 2.840 2.360 1.00 0.00 C ATOM 1603 O ASN A 100 3.908 2.696 2.020 1.00 0.00 O ATOM 1604 CB ASN A 100 0.566 3.026 0.973 1.00 0.00 C ATOM 1605 CG ASN A 100 -0.772 2.435 0.579 1.00 0.00 C ATOM 1606 OD1 ASN A 100 -1.693 2.376 1.382 1.00 0.00 O ATOM 1607 ND2 ASN A 100 -0.912 2.079 -0.642 1.00 0.00 N ATOM 0 H ASN A 100 -0.170 1.614 2.848 1.00 0.00 H new ATOM 0 HA ASN A 100 1.915 1.339 0.965 1.00 0.00 H new ATOM 0 HB2 ASN A 100 0.391 3.885 1.621 1.00 0.00 H new ATOM 0 HB3 ASN A 100 1.060 3.399 0.076 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -1.813 1.733 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -0.123 2.141 -1.285 1.00 0.00 H new ATOM 1614 N GLU A 101 2.251 3.593 3.387 1.00 0.00 N ATOM 1615 CA GLU A 101 3.123 4.400 4.198 1.00 0.00 C ATOM 1616 C GLU A 101 4.155 3.511 4.777 1.00 0.00 C ATOM 1617 O GLU A 101 5.294 3.696 4.556 1.00 0.00 O ATOM 1618 CB GLU A 101 2.363 4.995 5.366 1.00 0.00 C ATOM 1619 CG GLU A 101 3.125 6.063 6.142 1.00 0.00 C ATOM 1620 CD GLU A 101 2.425 6.479 7.412 1.00 0.00 C ATOM 1621 OE1 GLU A 101 1.180 6.575 7.436 1.00 0.00 O ATOM 1622 OE2 GLU A 101 3.106 6.680 8.428 1.00 0.00 O ATOM 0 H GLU A 101 1.272 3.647 3.669 1.00 0.00 H new ATOM 0 HA GLU A 101 3.546 5.193 3.581 1.00 0.00 H new ATOM 0 HB2 GLU A 101 1.434 5.428 4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.090 4.193 6.051 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.118 5.687 6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 101 3.263 6.938 5.506 1.00 0.00 H new ATOM 1629 N ALA A 102 3.701 2.500 5.474 1.00 0.00 N ATOM 1630 CA ALA A 102 4.550 1.577 6.168 1.00 0.00 C ATOM 1631 C ALA A 102 5.606 0.948 5.259 1.00 0.00 C ATOM 1632 O ALA A 102 6.773 0.836 5.644 1.00 0.00 O ATOM 1633 CB ALA A 102 3.703 0.553 6.841 1.00 0.00 C ATOM 0 H ALA A 102 2.707 2.295 5.574 1.00 0.00 H new ATOM 0 HA ALA A 102 5.116 2.124 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.340 -0.154 7.372 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.035 1.042 7.550 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.114 0.021 6.094 1.00 0.00 H new ATOM 1639 N LEU A 103 5.230 0.638 4.034 1.00 0.00 N ATOM 1640 CA LEU A 103 6.167 0.064 3.095 1.00 0.00 C ATOM 1641 C LEU A 103 7.188 1.083 2.700 1.00 0.00 C ATOM 1642 O LEU A 103 8.400 0.799 2.690 1.00 0.00 O ATOM 1643 CB LEU A 103 5.475 -0.529 1.862 1.00 0.00 C ATOM 1644 CG LEU A 103 5.131 -2.022 1.931 1.00 0.00 C ATOM 1645 CD1 LEU A 103 6.394 -2.842 1.964 1.00 0.00 C ATOM 1646 CD2 LEU A 103 4.295 -2.339 3.148 1.00 0.00 C ATOM 0 H LEU A 103 4.287 0.774 3.669 1.00 0.00 H new ATOM 0 HA LEU A 103 6.667 -0.765 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.554 0.027 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.117 -0.365 0.997 1.00 0.00 H new ATOM 0 HG LEU A 103 4.552 -2.271 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.139 -3.901 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.976 -2.650 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.982 -2.569 2.840 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.069 -3.405 3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 103 4.847 -2.069 4.049 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.365 -1.772 3.109 1.00 0.00 H new ATOM 1658 N VAL A 104 6.738 2.296 2.429 1.00 0.00 N ATOM 1659 CA VAL A 104 7.698 3.343 2.089 1.00 0.00 C ATOM 1660 C VAL A 104 8.404 3.881 3.369 1.00 0.00 C ATOM 1661 O VAL A 104 9.455 4.503 3.310 1.00 0.00 O ATOM 1662 CB VAL A 104 7.026 4.489 1.279 1.00 0.00 C ATOM 1663 CG1 VAL A 104 6.093 5.303 2.088 1.00 0.00 C ATOM 1664 CG2 VAL A 104 8.014 5.352 0.549 1.00 0.00 C ATOM 0 H VAL A 104 5.758 2.578 2.435 1.00 0.00 H new ATOM 0 HA VAL A 104 8.462 2.904 1.447 1.00 0.00 H new ATOM 0 HB VAL A 104 6.428 3.983 0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.658 6.085 1.465 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.299 4.666 2.478 1.00 0.00 H new ATOM 0 HG13 VAL A 104 6.633 5.759 2.918 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.483 6.132 0.004 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.696 5.810 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 104 8.582 4.741 -0.153 1.00 0.00 H new ATOM 1674 N ARG A 105 7.851 3.527 4.515 1.00 0.00 N ATOM 1675 CA ARG A 105 8.295 3.999 5.811 1.00 0.00 C ATOM 1676 C ARG A 105 9.367 3.116 6.288 1.00 0.00 C ATOM 1677 O ARG A 105 10.193 3.520 7.065 1.00 0.00 O ATOM 1678 CB ARG A 105 7.134 3.924 6.807 1.00 0.00 C ATOM 1679 CG ARG A 105 7.367 4.538 8.163 1.00 0.00 C ATOM 1680 CD ARG A 105 7.637 6.007 8.035 1.00 0.00 C ATOM 1681 NE ARG A 105 7.628 6.676 9.325 1.00 0.00 N ATOM 1682 CZ ARG A 105 6.974 7.805 9.594 1.00 0.00 C ATOM 1683 NH1 ARG A 105 6.122 8.314 8.706 1.00 0.00 N ATOM 1684 NH2 ARG A 105 7.129 8.390 10.771 1.00 0.00 N ATOM 0 H ARG A 105 7.059 2.886 4.570 1.00 0.00 H new ATOM 0 HA ARG A 105 8.647 5.027 5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 105 6.268 4.410 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.874 2.875 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 105 6.495 4.376 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 105 8.210 4.048 8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 105 8.604 6.158 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 105 6.886 6.459 7.387 1.00 0.00 H new ATOM 0 HE ARG A 105 8.163 6.249 10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.968 7.839 7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.623 9.179 8.915 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.748 7.976 11.469 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.630 9.255 10.980 1.00 0.00 H new ATOM 1698 N GLN A 106 9.292 1.880 5.865 1.00 0.00 N ATOM 1699 CA GLN A 106 10.222 0.903 6.185 1.00 0.00 C ATOM 1700 C GLN A 106 11.379 0.811 5.231 1.00 0.00 C ATOM 1701 O GLN A 106 12.311 0.043 5.463 1.00 0.00 O ATOM 1702 CB GLN A 106 9.543 -0.402 6.256 1.00 0.00 C ATOM 1703 CG GLN A 106 9.056 -0.734 7.634 1.00 0.00 C ATOM 1704 CD GLN A 106 10.187 -0.732 8.648 1.00 0.00 C ATOM 1705 OE1 GLN A 106 10.470 0.282 9.283 1.00 0.00 O ATOM 1706 NE2 GLN A 106 10.858 -1.846 8.780 1.00 0.00 N ATOM 0 H GLN A 106 8.539 1.544 5.265 1.00 0.00 H new ATOM 0 HA GLN A 106 10.648 1.188 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.698 -0.404 5.568 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.228 -1.181 5.921 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.297 -0.012 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.578 -1.714 7.624 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.594 -2.668 8.236 1.00 0.00 H new ATOM 0 HE22 GLN A 106 11.645 -1.894 9.427 1.00 0.00 H new ATOM 1715 N GLY A 107 11.347 1.555 4.175 1.00 0.00 N ATOM 1716 CA GLY A 107 12.438 1.471 3.262 1.00 0.00 C ATOM 1717 C GLY A 107 12.272 0.329 2.282 1.00 0.00 C ATOM 1718 O GLY A 107 13.255 -0.253 1.854 1.00 0.00 O ATOM 0 H GLY A 107 10.603 2.208 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 107 12.525 2.409 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.366 1.339 3.818 1.00 0.00 H new ATOM 1722 N LEU A 108 11.045 -0.042 1.977 1.00 0.00 N ATOM 1723 CA LEU A 108 10.813 -1.072 0.965 1.00 0.00 C ATOM 1724 C LEU A 108 10.148 -0.473 -0.252 1.00 0.00 C ATOM 1725 O LEU A 108 9.801 -1.172 -1.196 1.00 0.00 O ATOM 1726 CB LEU A 108 9.961 -2.260 1.463 1.00 0.00 C ATOM 1727 CG LEU A 108 10.564 -3.241 2.476 1.00 0.00 C ATOM 1728 CD1 LEU A 108 12.032 -3.517 2.289 1.00 0.00 C ATOM 1729 CD2 LEU A 108 10.168 -2.971 3.892 1.00 0.00 C ATOM 0 H LEU A 108 10.201 0.342 2.403 1.00 0.00 H new ATOM 0 HA LEU A 108 11.799 -1.465 0.718 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.053 -1.850 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 108 9.659 -2.836 0.589 1.00 0.00 H new ATOM 0 HG LEU A 108 10.090 -4.192 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 108 12.370 -4.221 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.199 -3.944 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.592 -2.586 2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.635 -3.707 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.496 -1.972 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.084 -3.037 3.986 1.00 0.00 H new ATOM 1741 N ALA A 109 9.979 0.814 -0.232 1.00 0.00 N ATOM 1742 CA ALA A 109 9.322 1.505 -1.294 1.00 0.00 C ATOM 1743 C ALA A 109 9.802 2.899 -1.362 1.00 0.00 C ATOM 1744 O ALA A 109 10.447 3.400 -0.442 1.00 0.00 O ATOM 1745 CB ALA A 109 7.823 1.494 -1.068 1.00 0.00 C ATOM 0 H ALA A 109 10.296 1.416 0.528 1.00 0.00 H new ATOM 0 HA ALA A 109 9.548 1.002 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.328 2.023 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.467 0.464 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 109 7.594 1.987 -0.123 1.00 0.00 H new ATOM 1751 N LYS A 110 9.511 3.492 -2.457 1.00 0.00 N ATOM 1752 CA LYS A 110 9.758 4.869 -2.705 1.00 0.00 C ATOM 1753 C LYS A 110 8.399 5.463 -2.912 1.00 0.00 C ATOM 1754 O LYS A 110 7.456 4.720 -3.257 1.00 0.00 O ATOM 1755 CB LYS A 110 10.613 5.112 -3.979 1.00 0.00 C ATOM 1756 CG LYS A 110 12.101 4.703 -3.939 1.00 0.00 C ATOM 1757 CD LYS A 110 12.345 3.190 -3.951 1.00 0.00 C ATOM 1758 CE LYS A 110 11.795 2.526 -5.203 1.00 0.00 C ATOM 1759 NZ LYS A 110 12.349 3.098 -6.447 1.00 0.00 N ATOM 0 H LYS A 110 9.074 3.013 -3.244 1.00 0.00 H new ATOM 0 HA LYS A 110 10.318 5.308 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 110 10.142 4.579 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.565 6.175 -4.217 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.610 5.147 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 110 12.557 5.125 -3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 110 13.415 2.996 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 110 11.881 2.743 -3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 110 12.016 1.459 -5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 110 10.710 2.626 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.572 3.331 -7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 12.884 3.961 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 12.981 2.405 -6.896 1.00 0.00 H new ATOM 1773 N VAL A 111 8.253 6.729 -2.699 1.00 0.00 N ATOM 1774 CA VAL A 111 6.967 7.344 -2.915 1.00 0.00 C ATOM 1775 C VAL A 111 6.719 7.496 -4.403 1.00 0.00 C ATOM 1776 O VAL A 111 7.538 8.065 -5.142 1.00 0.00 O ATOM 1777 CB VAL A 111 6.776 8.693 -2.153 1.00 0.00 C ATOM 1778 CG1 VAL A 111 7.866 9.683 -2.482 1.00 0.00 C ATOM 1779 CG2 VAL A 111 5.405 9.296 -2.443 1.00 0.00 C ATOM 0 H VAL A 111 8.990 7.358 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 111 6.216 6.678 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 111 6.840 8.470 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 111 7.696 10.608 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.833 9.266 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.858 9.891 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.298 10.235 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.308 9.483 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.627 8.602 -2.124 1.00 0.00 H new ATOM 1789 N ALA A 112 5.644 6.940 -4.840 1.00 0.00 N ATOM 1790 CA ALA A 112 5.288 6.959 -6.224 1.00 0.00 C ATOM 1791 C ALA A 112 4.216 7.999 -6.475 1.00 0.00 C ATOM 1792 O ALA A 112 3.897 8.805 -5.602 1.00 0.00 O ATOM 1793 CB ALA A 112 4.798 5.579 -6.647 1.00 0.00 C ATOM 0 H ALA A 112 4.976 6.452 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 112 6.166 7.220 -6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.527 5.597 -7.703 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.590 4.847 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.926 5.305 -6.053 1.00 0.00 H new ATOM 1799 N TYR A 113 3.662 7.946 -7.645 1.00 0.00 N ATOM 1800 CA TYR A 113 2.620 8.836 -8.087 1.00 0.00 C ATOM 1801 C TYR A 113 1.909 8.147 -9.209 1.00 0.00 C ATOM 1802 O TYR A 113 2.361 8.123 -10.354 1.00 0.00 O ATOM 1803 CB TYR A 113 3.160 10.207 -8.517 1.00 0.00 C ATOM 1804 CG TYR A 113 2.093 11.195 -8.980 1.00 0.00 C ATOM 1805 CD1 TYR A 113 0.872 11.325 -8.309 1.00 0.00 C ATOM 1806 CD2 TYR A 113 2.319 12.010 -10.078 1.00 0.00 C ATOM 1807 CE1 TYR A 113 -0.077 12.234 -8.728 1.00 0.00 C ATOM 1808 CE2 TYR A 113 1.372 12.918 -10.499 1.00 0.00 C ATOM 1809 CZ TYR A 113 0.178 13.026 -9.822 1.00 0.00 C ATOM 1810 OH TYR A 113 -0.765 13.941 -10.243 1.00 0.00 O ATOM 0 H TYR A 113 3.929 7.258 -8.349 1.00 0.00 H new ATOM 0 HA TYR A 113 1.937 9.047 -7.264 1.00 0.00 H new ATOM 0 HB2 TYR A 113 3.705 10.646 -7.681 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.878 10.063 -9.325 1.00 0.00 H new ATOM 0 HD1 TYR A 113 0.669 10.704 -7.449 1.00 0.00 H new ATOM 0 HD2 TYR A 113 3.254 11.932 -10.613 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -1.015 12.323 -8.200 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.566 13.543 -11.358 1.00 0.00 H new ATOM 0 HH TYR A 113 -0.428 14.421 -11.028 1.00 0.00 H new ATOM 1820 N VAL A 114 0.848 7.529 -8.850 1.00 0.00 N ATOM 1821 CA VAL A 114 0.105 6.674 -9.720 1.00 0.00 C ATOM 1822 C VAL A 114 -0.673 7.391 -10.806 1.00 0.00 C ATOM 1823 O VAL A 114 -0.403 7.219 -11.986 1.00 0.00 O ATOM 1824 CB VAL A 114 -0.807 5.733 -8.920 1.00 0.00 C ATOM 1825 CG1 VAL A 114 0.026 4.635 -8.266 1.00 0.00 C ATOM 1826 CG2 VAL A 114 -1.590 6.497 -7.838 1.00 0.00 C ATOM 0 H VAL A 114 0.452 7.601 -7.913 1.00 0.00 H new ATOM 0 HA VAL A 114 0.856 6.087 -10.249 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.523 5.291 -9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.627 3.971 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.544 4.064 -9.036 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.757 5.084 -7.594 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.226 5.802 -7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.891 6.970 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.209 7.261 -8.308 1.00 0.00 H new ATOM 1836 N TYR A 115 -1.608 8.192 -10.411 1.00 0.00 N ATOM 1837 CA TYR A 115 -2.488 8.845 -11.313 1.00 0.00 C ATOM 1838 C TYR A 115 -2.873 10.138 -10.676 1.00 0.00 C ATOM 1839 O TYR A 115 -2.970 10.175 -9.440 1.00 0.00 O ATOM 1840 CB TYR A 115 -3.787 8.019 -11.558 1.00 0.00 C ATOM 1841 CG TYR A 115 -3.605 6.629 -12.097 1.00 0.00 C ATOM 1842 CD1 TYR A 115 -3.464 6.404 -13.457 1.00 0.00 C ATOM 1843 CD2 TYR A 115 -3.615 5.531 -11.241 1.00 0.00 C ATOM 1844 CE1 TYR A 115 -3.334 5.127 -13.957 1.00 0.00 C ATOM 1845 CE2 TYR A 115 -3.493 4.256 -11.740 1.00 0.00 C ATOM 1846 CZ TYR A 115 -3.354 4.059 -13.098 1.00 0.00 C ATOM 1847 OH TYR A 115 -3.249 2.785 -13.595 1.00 0.00 O ATOM 0 H TYR A 115 -1.782 8.413 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 115 -1.988 8.976 -12.273 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.331 7.951 -10.616 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -4.419 8.574 -12.252 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.456 7.244 -14.136 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -3.719 5.682 -10.177 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.217 4.968 -15.019 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.506 3.409 -11.069 1.00 0.00 H new ATOM 0 HH TYR A 115 -2.469 2.343 -13.199 1.00 0.00 H new ATOM 1857 N LYS A 116 -3.056 11.181 -11.472 1.00 0.00 N ATOM 1858 CA LYS A 116 -3.554 12.474 -10.986 1.00 0.00 C ATOM 1859 C LYS A 116 -4.848 12.202 -10.267 1.00 0.00 C ATOM 1860 O LYS A 116 -5.839 11.751 -10.863 1.00 0.00 O ATOM 1861 CB LYS A 116 -3.755 13.449 -12.188 1.00 0.00 C ATOM 1862 CG LYS A 116 -4.017 14.971 -11.901 1.00 0.00 C ATOM 1863 CD LYS A 116 -5.457 15.321 -11.445 1.00 0.00 C ATOM 1864 CE LYS A 116 -5.629 15.401 -9.925 1.00 0.00 C ATOM 1865 NZ LYS A 116 -4.884 16.529 -9.313 1.00 0.00 N ATOM 0 H LYS A 116 -2.866 11.162 -12.474 1.00 0.00 H new ATOM 0 HA LYS A 116 -2.847 12.950 -10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -2.868 13.381 -12.818 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.593 13.076 -12.777 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -3.319 15.304 -11.133 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -3.792 15.538 -12.804 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -5.743 16.277 -11.883 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -6.144 14.572 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -6.688 15.503 -9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -5.292 14.466 -9.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -5.230 16.690 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.870 16.300 -9.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.029 17.389 -9.880 1.00 0.00 H new ATOM 1879 N GLY A 117 -4.816 12.393 -8.990 1.00 0.00 N ATOM 1880 CA GLY A 117 -5.933 12.104 -8.195 1.00 0.00 C ATOM 1881 C GLY A 117 -5.511 11.343 -7.005 1.00 0.00 C ATOM 1882 O GLY A 117 -5.580 11.851 -5.892 1.00 0.00 O ATOM 0 H GLY A 117 -4.009 12.754 -8.481 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -6.425 13.028 -7.892 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -6.660 11.529 -8.768 1.00 0.00 H new ATOM 1886 N ASN A 118 -4.939 10.171 -7.241 1.00 0.00 N ATOM 1887 CA ASN A 118 -4.578 9.298 -6.145 1.00 0.00 C ATOM 1888 C ASN A 118 -3.248 9.694 -5.659 1.00 0.00 C ATOM 1889 O ASN A 118 -2.222 9.265 -6.210 1.00 0.00 O ATOM 1890 CB ASN A 118 -4.503 7.806 -6.483 1.00 0.00 C ATOM 1891 CG ASN A 118 -5.583 7.262 -7.357 1.00 0.00 C ATOM 1892 OD1 ASN A 118 -6.675 6.950 -6.931 1.00 0.00 O ATOM 1893 ND2 ASN A 118 -5.288 7.111 -8.611 1.00 0.00 N ATOM 0 H ASN A 118 -4.719 9.811 -8.170 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.376 9.413 -5.411 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.545 7.614 -6.966 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.506 7.245 -5.549 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -5.979 6.725 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.365 7.378 -8.954 1.00 0.00 H new ATOM 1900 N ASN A 119 -3.245 10.553 -4.698 1.00 0.00 N ATOM 1901 CA ASN A 119 -2.020 11.044 -4.106 1.00 0.00 C ATOM 1902 C ASN A 119 -2.341 11.841 -2.860 1.00 0.00 C ATOM 1903 O ASN A 119 -1.520 12.623 -2.362 1.00 0.00 O ATOM 1904 CB ASN A 119 -1.185 11.882 -5.130 1.00 0.00 C ATOM 1905 CG ASN A 119 -1.775 13.249 -5.525 1.00 0.00 C ATOM 1906 OD1 ASN A 119 -1.041 14.207 -5.739 1.00 0.00 O ATOM 1907 ND2 ASN A 119 -3.060 13.321 -5.722 1.00 0.00 N ATOM 0 H ASN A 119 -4.093 10.946 -4.288 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.401 10.193 -3.823 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -0.192 12.045 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -1.056 11.289 -6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.476 14.188 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.651 12.510 -5.537 1.00 0.00 H new ATOM 1914 N THR A 120 -3.486 11.535 -2.280 1.00 0.00 N ATOM 1915 CA THR A 120 -4.020 12.287 -1.161 1.00 0.00 C ATOM 1916 C THR A 120 -3.107 12.235 0.071 1.00 0.00 C ATOM 1917 O THR A 120 -3.075 13.175 0.874 1.00 0.00 O ATOM 1918 CB THR A 120 -5.445 11.805 -0.842 1.00 0.00 C ATOM 1919 OG1 THR A 120 -6.131 11.599 -2.093 1.00 0.00 O ATOM 1920 CG2 THR A 120 -6.201 12.862 -0.059 1.00 0.00 C ATOM 0 H THR A 120 -4.074 10.755 -2.573 1.00 0.00 H new ATOM 0 HA THR A 120 -4.064 13.337 -1.450 1.00 0.00 H new ATOM 0 HB THR A 120 -5.395 10.890 -0.252 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.046 10.660 -2.362 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.207 12.504 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 120 -5.679 13.065 0.876 1.00 0.00 H new ATOM 0 HG23 THR A 120 -6.261 13.777 -0.648 1.00 0.00 H new ATOM 1928 N HIS A 121 -2.355 11.178 0.206 1.00 0.00 N ATOM 1929 CA HIS A 121 -1.387 11.081 1.247 1.00 0.00 C ATOM 1930 C HIS A 121 -0.003 10.924 0.690 1.00 0.00 C ATOM 1931 O HIS A 121 0.896 10.477 1.376 1.00 0.00 O ATOM 1932 CB HIS A 121 -1.725 9.984 2.235 1.00 0.00 C ATOM 1933 CG HIS A 121 -2.725 10.401 3.269 1.00 0.00 C ATOM 1934 ND1 HIS A 121 -3.990 9.865 3.418 1.00 0.00 N ATOM 1935 CD2 HIS A 121 -2.594 11.323 4.244 1.00 0.00 C ATOM 1936 CE1 HIS A 121 -4.571 10.466 4.459 1.00 0.00 C ATOM 1937 NE2 HIS A 121 -3.760 11.363 5.001 1.00 0.00 N ATOM 0 H HIS A 121 -2.401 10.363 -0.406 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.412 12.019 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -2.113 9.123 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -0.811 9.660 2.734 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -1.720 11.935 4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.569 10.250 4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -3.951 11.959 5.806 1.00 0.00 H new ATOM 1945 N GLU A 122 0.189 11.383 -0.538 1.00 0.00 N ATOM 1946 CA GLU A 122 1.502 11.332 -1.188 1.00 0.00 C ATOM 1947 C GLU A 122 2.531 12.137 -0.399 1.00 0.00 C ATOM 1948 O GLU A 122 3.712 11.771 -0.339 1.00 0.00 O ATOM 1949 CB GLU A 122 1.352 11.786 -2.644 1.00 0.00 C ATOM 1950 CG GLU A 122 2.623 12.051 -3.462 1.00 0.00 C ATOM 1951 CD GLU A 122 3.160 13.463 -3.264 1.00 0.00 C ATOM 1952 OE1 GLU A 122 2.374 14.427 -3.397 1.00 0.00 O ATOM 1953 OE2 GLU A 122 4.370 13.645 -3.025 1.00 0.00 O ATOM 0 H GLU A 122 -0.547 11.797 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 122 1.882 10.310 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 122 0.771 11.028 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 122 0.759 12.701 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.390 11.331 -3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.411 11.891 -4.519 1.00 0.00 H new ATOM 1960 N GLN A 123 2.052 13.173 0.281 1.00 0.00 N ATOM 1961 CA GLN A 123 2.912 14.012 1.084 1.00 0.00 C ATOM 1962 C GLN A 123 3.431 13.177 2.282 1.00 0.00 C ATOM 1963 O GLN A 123 4.609 13.224 2.658 1.00 0.00 O ATOM 1964 CB GLN A 123 2.173 15.308 1.552 1.00 0.00 C ATOM 1965 CG GLN A 123 1.108 15.123 2.639 1.00 0.00 C ATOM 1966 CD GLN A 123 -0.118 14.321 2.250 1.00 0.00 C ATOM 1967 OE1 GLN A 123 -0.667 13.617 3.079 1.00 0.00 O ATOM 1968 NE2 GLN A 123 -0.612 14.447 1.047 1.00 0.00 N ATOM 0 H GLN A 123 1.069 13.446 0.287 1.00 0.00 H new ATOM 0 HA GLN A 123 3.759 14.348 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 123 2.918 16.014 1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 123 1.700 15.766 0.683 1.00 0.00 H new ATOM 0 HG2 GLN A 123 1.575 14.639 3.497 1.00 0.00 H new ATOM 0 HG3 GLN A 123 0.781 16.109 2.969 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -0.142 15.040 0.362 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.467 13.953 0.793 1.00 0.00 H new ATOM 1977 N LEU A 124 2.563 12.329 2.781 1.00 0.00 N ATOM 1978 CA LEU A 124 2.872 11.455 3.862 1.00 0.00 C ATOM 1979 C LEU A 124 3.805 10.347 3.401 1.00 0.00 C ATOM 1980 O LEU A 124 4.736 9.982 4.103 1.00 0.00 O ATOM 1981 CB LEU A 124 1.566 10.933 4.490 1.00 0.00 C ATOM 1982 CG LEU A 124 1.636 9.644 5.301 1.00 0.00 C ATOM 1983 CD1 LEU A 124 0.605 9.676 6.384 1.00 0.00 C ATOM 1984 CD2 LEU A 124 1.337 8.453 4.396 1.00 0.00 C ATOM 0 H LEU A 124 1.609 12.234 2.434 1.00 0.00 H new ATOM 0 HA LEU A 124 3.409 11.996 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 124 1.169 11.715 5.137 1.00 0.00 H new ATOM 0 HB3 LEU A 124 0.843 10.786 3.687 1.00 0.00 H new ATOM 0 HG LEU A 124 2.633 9.552 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.656 8.754 6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.792 10.527 7.039 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -0.386 9.771 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.388 7.532 4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.339 8.560 3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.071 8.414 3.591 1.00 0.00 H new ATOM 1996 N LEU A 125 3.572 9.834 2.209 1.00 0.00 N ATOM 1997 CA LEU A 125 4.442 8.820 1.674 1.00 0.00 C ATOM 1998 C LEU A 125 5.820 9.355 1.364 1.00 0.00 C ATOM 1999 O LEU A 125 6.810 8.683 1.625 1.00 0.00 O ATOM 2000 CB LEU A 125 3.853 8.072 0.494 1.00 0.00 C ATOM 2001 CG LEU A 125 2.775 7.053 0.825 1.00 0.00 C ATOM 2002 CD1 LEU A 125 1.385 7.563 0.565 1.00 0.00 C ATOM 2003 CD2 LEU A 125 3.054 5.772 0.117 1.00 0.00 C ATOM 0 H LEU A 125 2.796 10.102 1.603 1.00 0.00 H new ATOM 0 HA LEU A 125 4.547 8.084 2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 125 3.436 8.800 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.662 7.560 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 125 2.810 6.867 1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.660 6.790 0.821 1.00 0.00 H new ATOM 0 HD12 LEU A 125 1.202 8.448 1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.283 7.821 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.278 5.046 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.066 5.946 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.023 5.385 0.433 1.00 0.00 H new ATOM 2015 N ARG A 126 5.900 10.574 0.844 1.00 0.00 N ATOM 2016 CA ARG A 126 7.200 11.176 0.611 1.00 0.00 C ATOM 2017 C ARG A 126 7.870 11.482 1.935 1.00 0.00 C ATOM 2018 O ARG A 126 9.088 11.317 2.081 1.00 0.00 O ATOM 2019 CB ARG A 126 7.115 12.399 -0.267 1.00 0.00 C ATOM 2020 CG ARG A 126 6.438 13.552 0.334 1.00 0.00 C ATOM 2021 CD ARG A 126 6.382 14.628 -0.640 1.00 0.00 C ATOM 2022 NE ARG A 126 5.817 15.843 -0.055 1.00 0.00 N ATOM 2023 CZ ARG A 126 4.928 16.629 -0.660 1.00 0.00 C ATOM 2024 NH1 ARG A 126 4.311 16.207 -1.770 1.00 0.00 N ATOM 2025 NH2 ARG A 126 4.596 17.795 -0.116 1.00 0.00 N ATOM 0 H ARG A 126 5.100 11.150 0.582 1.00 0.00 H new ATOM 0 HA ARG A 126 7.813 10.457 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 126 8.125 12.697 -0.547 1.00 0.00 H new ATOM 0 HB3 ARG A 126 6.595 12.131 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 126 5.431 13.276 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 126 6.972 13.879 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 126 7.384 14.834 -1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 126 5.779 14.318 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 126 6.125 16.107 0.881 1.00 0.00 H new ATOM 0 HH11 ARG A 126 4.522 15.285 -2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 126 3.630 16.808 -2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 126 5.022 18.087 0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 126 3.915 18.398 -0.578 1.00 0.00 H new ATOM 2039 N LYS A 127 7.057 11.888 2.921 1.00 0.00 N ATOM 2040 CA LYS A 127 7.552 12.112 4.264 1.00 0.00 C ATOM 2041 C LYS A 127 8.072 10.769 4.843 1.00 0.00 C ATOM 2042 O LYS A 127 9.109 10.731 5.508 1.00 0.00 O ATOM 2043 CB LYS A 127 6.419 12.689 5.139 1.00 0.00 C ATOM 2044 CG LYS A 127 6.831 13.705 6.212 1.00 0.00 C ATOM 2045 CD LYS A 127 7.788 13.155 7.252 1.00 0.00 C ATOM 2046 CE LYS A 127 8.079 14.208 8.305 1.00 0.00 C ATOM 2047 NZ LYS A 127 9.081 13.759 9.291 1.00 0.00 N ATOM 0 H LYS A 127 6.059 12.064 2.803 1.00 0.00 H new ATOM 0 HA LYS A 127 8.373 12.828 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 127 5.689 13.163 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 127 5.913 11.859 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 127 7.295 14.563 5.725 1.00 0.00 H new ATOM 0 HG3 LYS A 127 5.935 14.069 6.715 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.358 12.270 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.716 12.842 6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 127 8.435 15.116 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.155 14.465 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.244 14.513 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.733 12.908 9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.973 13.539 8.804 1.00 0.00 H new ATOM 2061 N ALA A 128 7.378 9.662 4.535 1.00 0.00 N ATOM 2062 CA ALA A 128 7.762 8.361 5.038 1.00 0.00 C ATOM 2063 C ALA A 128 9.023 7.891 4.338 1.00 0.00 C ATOM 2064 O ALA A 128 9.939 7.331 4.984 1.00 0.00 O ATOM 2065 CB ALA A 128 6.626 7.380 4.855 1.00 0.00 C ATOM 0 H ALA A 128 6.550 9.656 3.939 1.00 0.00 H new ATOM 0 HA ALA A 128 7.975 8.429 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 128 6.924 6.403 5.236 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.750 7.731 5.401 1.00 0.00 H new ATOM 0 HB3 ALA A 128 6.384 7.297 3.795 1.00 0.00 H new ATOM 2071 N GLU A 129 9.077 8.139 3.031 1.00 0.00 N ATOM 2072 CA GLU A 129 10.249 7.883 2.239 1.00 0.00 C ATOM 2073 C GLU A 129 11.425 8.606 2.865 1.00 0.00 C ATOM 2074 O GLU A 129 12.415 7.980 3.240 1.00 0.00 O ATOM 2075 CB GLU A 129 10.055 8.379 0.806 1.00 0.00 C ATOM 2076 CG GLU A 129 11.253 8.137 -0.095 1.00 0.00 C ATOM 2077 CD GLU A 129 11.099 8.776 -1.446 1.00 0.00 C ATOM 2078 OE1 GLU A 129 11.474 9.975 -1.601 1.00 0.00 O ATOM 2079 OE2 GLU A 129 10.614 8.114 -2.374 1.00 0.00 O ATOM 0 H GLU A 129 8.296 8.526 2.500 1.00 0.00 H new ATOM 0 HA GLU A 129 10.431 6.809 2.210 1.00 0.00 H new ATOM 0 HB2 GLU A 129 9.183 7.886 0.376 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.839 9.447 0.828 1.00 0.00 H new ATOM 0 HG2 GLU A 129 12.150 8.527 0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 129 11.398 7.064 -0.219 1.00 0.00 H new ATOM 2086 N ALA A 130 11.278 9.924 3.034 1.00 0.00 N ATOM 2087 CA ALA A 130 12.312 10.747 3.628 1.00 0.00 C ATOM 2088 C ALA A 130 12.666 10.285 5.032 1.00 0.00 C ATOM 2089 O ALA A 130 13.832 10.332 5.423 1.00 0.00 O ATOM 2090 CB ALA A 130 11.950 12.215 3.594 1.00 0.00 C ATOM 0 H ALA A 130 10.441 10.439 2.762 1.00 0.00 H new ATOM 0 HA ALA A 130 13.207 10.624 3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 130 12.751 12.798 4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 130 11.812 12.532 2.560 1.00 0.00 H new ATOM 0 HB3 ALA A 130 11.025 12.375 4.149 1.00 0.00 H new ATOM 2096 N GLN A 131 11.672 9.816 5.770 1.00 0.00 N ATOM 2097 CA GLN A 131 11.889 9.252 7.089 1.00 0.00 C ATOM 2098 C GLN A 131 12.799 8.015 6.964 1.00 0.00 C ATOM 2099 O GLN A 131 13.830 7.919 7.644 1.00 0.00 O ATOM 2100 CB GLN A 131 10.526 8.901 7.721 1.00 0.00 C ATOM 2101 CG GLN A 131 10.506 8.610 9.230 1.00 0.00 C ATOM 2102 CD GLN A 131 11.098 7.274 9.673 1.00 0.00 C ATOM 2103 OE1 GLN A 131 11.621 7.171 10.769 1.00 0.00 O ATOM 2104 NE2 GLN A 131 11.008 6.249 8.852 1.00 0.00 N ATOM 0 H GLN A 131 10.697 9.816 5.471 1.00 0.00 H new ATOM 0 HA GLN A 131 12.385 9.972 7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.841 9.726 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 131 10.128 8.028 7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 131 11.046 9.408 9.739 1.00 0.00 H new ATOM 0 HG3 GLN A 131 9.472 8.656 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.565 6.363 7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.381 5.341 9.128 1.00 0.00 H new ATOM 2113 N ALA A 132 12.492 7.139 6.003 1.00 0.00 N ATOM 2114 CA ALA A 132 13.235 5.892 5.839 1.00 0.00 C ATOM 2115 C ALA A 132 14.607 6.210 5.293 1.00 0.00 C ATOM 2116 O ALA A 132 15.575 5.483 5.498 1.00 0.00 O ATOM 2117 CB ALA A 132 12.485 4.950 4.911 1.00 0.00 C ATOM 0 H ALA A 132 11.737 7.272 5.331 1.00 0.00 H new ATOM 0 HA ALA A 132 13.340 5.394 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 132 13.050 4.025 4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 132 11.505 4.727 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 132 12.362 5.422 3.936 1.00 0.00 H new ATOM 2123 N LYS A 133 14.669 7.311 4.618 1.00 0.00 N ATOM 2124 CA LYS A 133 15.868 7.854 4.080 1.00 0.00 C ATOM 2125 C LYS A 133 16.777 8.338 5.173 1.00 0.00 C ATOM 2126 O LYS A 133 17.954 7.994 5.203 1.00 0.00 O ATOM 2127 CB LYS A 133 15.513 8.973 3.166 1.00 0.00 C ATOM 2128 CG LYS A 133 15.057 8.519 1.831 1.00 0.00 C ATOM 2129 CD LYS A 133 14.715 9.691 0.949 1.00 0.00 C ATOM 2130 CE LYS A 133 14.702 9.285 -0.507 1.00 0.00 C ATOM 2131 NZ LYS A 133 14.139 10.320 -1.387 1.00 0.00 N ATOM 0 H LYS A 133 13.846 7.880 4.419 1.00 0.00 H new ATOM 0 HA LYS A 133 16.401 7.079 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 133 14.727 9.573 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 133 16.380 9.622 3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 133 15.837 7.921 1.360 1.00 0.00 H new ATOM 0 HG3 LYS A 133 14.184 7.875 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 133 13.739 10.089 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 133 15.441 10.490 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 133 15.720 9.060 -0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 133 14.124 8.368 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 14.309 10.062 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 13.115 10.398 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 14.594 11.233 -1.184 1.00 0.00 H new ATOM 2145 N LYS A 134 16.240 9.143 6.068 1.00 0.00 N ATOM 2146 CA LYS A 134 17.020 9.582 7.213 1.00 0.00 C ATOM 2147 C LYS A 134 17.322 8.437 8.175 1.00 0.00 C ATOM 2148 O LYS A 134 18.287 8.491 8.948 1.00 0.00 O ATOM 2149 CB LYS A 134 16.446 10.838 7.914 1.00 0.00 C ATOM 2150 CG LYS A 134 14.949 10.847 8.251 1.00 0.00 C ATOM 2151 CD LYS A 134 14.667 10.811 9.759 1.00 0.00 C ATOM 2152 CE LYS A 134 15.006 9.472 10.359 1.00 0.00 C ATOM 2153 NZ LYS A 134 14.774 9.401 11.807 1.00 0.00 N ATOM 0 H LYS A 134 15.286 9.502 6.030 1.00 0.00 H new ATOM 0 HA LYS A 134 17.980 9.909 6.813 1.00 0.00 H new ATOM 0 HB2 LYS A 134 16.999 10.986 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.652 11.700 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 134 14.493 11.740 7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 134 14.472 9.988 7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 134 15.246 11.589 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 134 13.615 11.034 9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.413 8.702 9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 134 16.053 9.247 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 14.947 8.431 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 15.420 10.054 12.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 13.791 9.668 12.015 1.00 0.00 H new ATOM 2167 N GLU A 135 16.488 7.409 8.144 1.00 0.00 N ATOM 2168 CA GLU A 135 16.749 6.200 8.917 1.00 0.00 C ATOM 2169 C GLU A 135 17.866 5.401 8.291 1.00 0.00 C ATOM 2170 O GLU A 135 18.749 4.893 8.980 1.00 0.00 O ATOM 2171 CB GLU A 135 15.533 5.316 8.933 1.00 0.00 C ATOM 2172 CG GLU A 135 14.403 5.835 9.743 1.00 0.00 C ATOM 2173 CD GLU A 135 14.652 5.767 11.237 1.00 0.00 C ATOM 2174 OE1 GLU A 135 15.237 6.709 11.805 1.00 0.00 O ATOM 2175 OE2 GLU A 135 14.294 4.758 11.867 1.00 0.00 O ATOM 0 H GLU A 135 15.628 7.385 7.596 1.00 0.00 H new ATOM 0 HA GLU A 135 17.017 6.512 9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 135 15.192 5.171 7.908 1.00 0.00 H new ATOM 0 HB3 GLU A 135 15.817 4.336 9.316 1.00 0.00 H new ATOM 0 HG2 GLU A 135 14.209 6.870 9.461 1.00 0.00 H new ATOM 0 HG3 GLU A 135 13.504 5.266 9.506 1.00 0.00 H new ATOM 2182 N LYS A 136 17.799 5.329 6.971 1.00 0.00 N ATOM 2183 CA LYS A 136 18.618 4.488 6.145 1.00 0.00 C ATOM 2184 C LYS A 136 18.132 3.074 6.260 1.00 0.00 C ATOM 2185 O LYS A 136 18.764 2.184 6.827 1.00 0.00 O ATOM 2186 CB LYS A 136 20.137 4.686 6.280 1.00 0.00 C ATOM 2187 CG LYS A 136 20.587 6.018 5.688 1.00 0.00 C ATOM 2188 CD LYS A 136 22.095 6.164 5.635 1.00 0.00 C ATOM 2189 CE LYS A 136 22.713 6.219 7.010 1.00 0.00 C ATOM 2190 NZ LYS A 136 24.167 6.401 6.931 1.00 0.00 N ATOM 0 H LYS A 136 17.137 5.886 6.431 1.00 0.00 H new ATOM 0 HA LYS A 136 18.488 4.807 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 136 20.418 4.642 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 136 20.656 3.870 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 136 20.182 6.117 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 136 20.169 6.832 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 136 22.520 5.327 5.081 1.00 0.00 H new ATOM 0 HD3 LYS A 136 22.351 7.071 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 136 22.272 7.038 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 136 22.488 5.299 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 24.565 6.435 7.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 24.589 5.606 6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 24.379 7.291 6.436 1.00 0.00 H new ATOM 2204 N LEU A 137 16.916 2.939 5.788 1.00 0.00 N ATOM 2205 CA LEU A 137 16.136 1.741 5.840 1.00 0.00 C ATOM 2206 C LEU A 137 16.138 0.941 4.567 1.00 0.00 C ATOM 2207 O LEU A 137 15.740 1.439 3.534 1.00 0.00 O ATOM 2208 CB LEU A 137 14.743 2.146 6.100 1.00 0.00 C ATOM 2209 CG LEU A 137 14.341 2.391 7.527 1.00 0.00 C ATOM 2210 CD1 LEU A 137 12.930 2.754 7.595 1.00 0.00 C ATOM 2211 CD2 LEU A 137 14.546 1.204 8.390 1.00 0.00 C ATOM 0 H LEU A 137 16.424 3.708 5.334 1.00 0.00 H new ATOM 0 HA LEU A 137 16.572 1.107 6.612 1.00 0.00 H new ATOM 0 HB2 LEU A 137 14.548 3.058 5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 137 14.088 1.374 5.695 1.00 0.00 H new ATOM 0 HG LEU A 137 14.976 3.200 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 137 12.649 2.929 8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 137 12.759 3.661 7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 137 12.326 1.943 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 137 14.239 1.438 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 137 13.950 0.373 8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 137 15.600 0.927 8.383 1.00 0.00 H new ATOM 2223 N ASN A 138 16.506 -0.315 4.699 1.00 0.00 N ATOM 2224 CA ASN A 138 16.564 -1.326 3.619 1.00 0.00 C ATOM 2225 C ASN A 138 17.168 -0.801 2.322 1.00 0.00 C ATOM 2226 O ASN A 138 18.386 -0.835 2.138 1.00 0.00 O ATOM 2227 CB ASN A 138 15.210 -2.014 3.351 1.00 0.00 C ATOM 2228 CG ASN A 138 14.673 -2.839 4.509 1.00 0.00 C ATOM 2229 OD1 ASN A 138 15.042 -4.006 4.676 1.00 0.00 O ATOM 2230 ND2 ASN A 138 13.761 -2.277 5.272 1.00 0.00 N ATOM 0 H ASN A 138 16.791 -0.697 5.601 1.00 0.00 H new ATOM 0 HA ASN A 138 17.244 -2.085 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 138 14.475 -1.251 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 138 15.313 -2.661 2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 138 13.334 -2.808 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 138 13.481 -1.311 5.104 1.00 0.00 H new ATOM 2237 N ILE A 139 16.320 -0.264 1.444 1.00 0.00 N ATOM 2238 CA ILE A 139 16.768 0.329 0.189 1.00 0.00 C ATOM 2239 C ILE A 139 17.634 1.547 0.453 1.00 0.00 C ATOM 2240 O ILE A 139 18.562 1.843 -0.278 1.00 0.00 O ATOM 2241 CB ILE A 139 15.586 0.737 -0.724 1.00 0.00 C ATOM 2242 CG1 ILE A 139 14.580 1.628 0.010 1.00 0.00 C ATOM 2243 CG2 ILE A 139 14.898 -0.483 -1.326 1.00 0.00 C ATOM 2244 CD1 ILE A 139 13.408 2.062 -0.840 1.00 0.00 C ATOM 0 H ILE A 139 15.310 -0.229 1.584 1.00 0.00 H new ATOM 0 HA ILE A 139 17.348 -0.436 -0.327 1.00 0.00 H new ATOM 0 HB ILE A 139 16.005 1.322 -1.543 1.00 0.00 H new ATOM 0 HG12 ILE A 139 14.205 1.092 0.882 1.00 0.00 H new ATOM 0 HG13 ILE A 139 15.096 2.514 0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 139 14.073 -0.159 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 139 15.615 -1.048 -1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 139 14.513 -1.115 -0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 139 12.742 2.690 -0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 139 13.771 2.627 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 139 12.865 1.183 -1.187 1.00 0.00 H new ATOM 2256 N TRP A 140 17.342 2.196 1.532 1.00 0.00 N ATOM 2257 CA TRP A 140 17.995 3.396 1.953 1.00 0.00 C ATOM 2258 C TRP A 140 19.197 3.091 2.801 1.00 0.00 C ATOM 2259 O TRP A 140 19.961 3.985 3.138 1.00 0.00 O ATOM 2260 CB TRP A 140 16.982 4.225 2.724 1.00 0.00 C ATOM 2261 CG TRP A 140 15.814 4.612 1.925 1.00 0.00 C ATOM 2262 CD1 TRP A 140 14.551 4.490 2.317 1.00 0.00 C ATOM 2263 CD2 TRP A 140 15.777 5.131 0.571 1.00 0.00 C ATOM 2264 NE1 TRP A 140 13.708 4.867 1.329 1.00 0.00 N ATOM 2265 CE2 TRP A 140 14.427 5.279 0.247 1.00 0.00 C ATOM 2266 CE3 TRP A 140 16.740 5.483 -0.386 1.00 0.00 C ATOM 2267 CZ2 TRP A 140 14.001 5.752 -0.987 1.00 0.00 C ATOM 2268 CZ3 TRP A 140 16.318 5.956 -1.612 1.00 0.00 C ATOM 2269 CH2 TRP A 140 14.957 6.090 -1.901 1.00 0.00 C ATOM 0 H TRP A 140 16.610 1.892 2.174 1.00 0.00 H new ATOM 0 HA TRP A 140 18.356 3.950 1.086 1.00 0.00 H new ATOM 0 HB2 TRP A 140 16.647 3.659 3.593 1.00 0.00 H new ATOM 0 HB3 TRP A 140 17.470 5.125 3.099 1.00 0.00 H new ATOM 0 HD1 TRP A 140 14.240 4.139 3.290 1.00 0.00 H new ATOM 0 HE1 TRP A 140 12.690 4.846 1.385 1.00 0.00 H new ATOM 0 HE3 TRP A 140 17.793 5.386 -0.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 12.950 5.849 -1.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 17.050 6.226 -2.359 1.00 0.00 H new ATOM 0 HH2 TRP A 140 14.656 6.468 -2.867 1.00 0.00 H new