USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 150:sc= -0.133! USER MOD Single : A 14 SER OG : rot -46:sc= 0.233 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0503 USER MOD Single : A 26 ASN : amide:sc= -0.321 K(o=-0.32,f=-10!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0394 (180deg=-0.542) USER MOD Single : A 49 SER OG : rot 60:sc= -3.13! USER MOD Single : A 50 THR OG1 : rot -92:sc= 0.388 USER MOD Single : A 57 THR OG1 : rot 115:sc= -2.7! USER MOD Single : A 58 GLN : amide:sc= -2.68! C(o=-2.7!,f=-9.2!) USER MOD Single : A 62 ASN : amide:sc= -0.449 K(o=-0.45,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 160:sc= -5.58! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.500 9.689 -6.617 1.00 0.00 N ATOM 57 CA VAL A 5 9.030 9.466 -6.705 1.00 0.00 C ATOM 58 C VAL A 5 8.739 8.425 -7.787 1.00 0.00 C ATOM 59 O VAL A 5 9.441 8.329 -8.774 1.00 0.00 O ATOM 60 CB VAL A 5 8.340 10.786 -7.050 1.00 0.00 C ATOM 61 CG1 VAL A 5 6.886 10.735 -6.584 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.060 11.928 -6.331 1.00 0.00 C ATOM 0 HA VAL A 5 8.652 9.103 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 5 8.372 10.948 -8.127 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.392 11.675 -6.829 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.372 9.914 -7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.855 10.579 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.574 12.873 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.019 11.763 -5.254 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.101 11.962 -6.654 1.00 0.00 H new ATOM 72 N SER A 6 7.722 7.626 -7.601 1.00 0.00 N ATOM 73 CA SER A 6 7.410 6.574 -8.615 1.00 0.00 C ATOM 74 C SER A 6 6.260 7.002 -9.525 1.00 0.00 C ATOM 75 O SER A 6 5.128 7.126 -9.101 1.00 0.00 O ATOM 76 CB SER A 6 6.998 5.282 -7.906 1.00 0.00 C ATOM 77 OG SER A 6 7.650 5.207 -6.645 1.00 0.00 O ATOM 0 H SER A 6 7.096 7.655 -6.796 1.00 0.00 H new ATOM 0 HA SER A 6 8.306 6.420 -9.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.917 5.257 -7.771 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.263 4.419 -8.517 1.00 0.00 H new ATOM 0 HG SER A 6 7.386 4.381 -6.189 1.00 0.00 H new ATOM 83 N LYS A 7 6.534 7.165 -10.790 1.00 0.00 N ATOM 84 CA LYS A 7 5.456 7.508 -11.751 1.00 0.00 C ATOM 85 C LYS A 7 4.857 6.181 -12.215 1.00 0.00 C ATOM 86 O LYS A 7 5.447 5.461 -13.003 1.00 0.00 O ATOM 87 CB LYS A 7 6.043 8.264 -12.948 1.00 0.00 C ATOM 88 CG LYS A 7 4.908 8.877 -13.771 1.00 0.00 C ATOM 89 CD LYS A 7 5.367 10.216 -14.355 1.00 0.00 C ATOM 90 CE LYS A 7 4.183 11.185 -14.403 1.00 0.00 C ATOM 91 NZ LYS A 7 4.437 12.229 -15.436 1.00 0.00 N ATOM 0 H LYS A 7 7.464 7.074 -11.198 1.00 0.00 H new ATOM 0 HA LYS A 7 4.701 8.146 -11.291 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.719 9.046 -12.602 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.630 7.586 -13.567 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.618 8.198 -14.573 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.028 9.024 -13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.169 10.635 -13.746 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.771 10.069 -15.357 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.266 10.644 -14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.040 11.650 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.633 12.888 -15.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.303 12.752 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.552 11.777 -16.365 1.00 0.00 H new ATOM 105 N LEU A 8 3.725 5.813 -11.685 1.00 0.00 N ATOM 106 CA LEU A 8 3.138 4.500 -12.054 1.00 0.00 C ATOM 107 C LEU A 8 2.050 4.635 -13.115 1.00 0.00 C ATOM 108 O LEU A 8 1.141 5.433 -13.005 1.00 0.00 O ATOM 109 CB LEU A 8 2.511 3.858 -10.811 1.00 0.00 C ATOM 110 CG LEU A 8 3.494 2.887 -10.156 1.00 0.00 C ATOM 111 CD1 LEU A 8 2.765 2.068 -9.087 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.061 1.932 -11.206 1.00 0.00 C ATOM 0 H LEU A 8 3.185 6.362 -11.016 1.00 0.00 H new ATOM 0 HA LEU A 8 3.943 3.886 -12.457 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.227 4.632 -10.099 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.599 3.330 -11.088 1.00 0.00 H new ATOM 0 HG LEU A 8 4.306 3.456 -9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.465 1.375 -8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.357 2.738 -8.330 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.953 1.507 -9.550 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.760 1.243 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.248 1.367 -11.661 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.580 2.504 -11.975 1.00 0.00 H new ATOM 124 N ARG A 9 2.108 3.788 -14.101 1.00 0.00 N ATOM 125 CA ARG A 9 1.055 3.765 -15.145 1.00 0.00 C ATOM 126 C ARG A 9 0.329 2.448 -14.933 1.00 0.00 C ATOM 127 O ARG A 9 0.853 1.391 -15.220 1.00 0.00 O ATOM 128 CB ARG A 9 1.679 3.792 -16.542 1.00 0.00 C ATOM 129 CG ARG A 9 2.703 4.920 -16.621 1.00 0.00 C ATOM 130 CD ARG A 9 2.922 5.309 -18.084 1.00 0.00 C ATOM 131 NE ARG A 9 3.343 6.735 -18.163 1.00 0.00 N ATOM 132 CZ ARG A 9 4.539 7.040 -18.584 1.00 0.00 C ATOM 133 NH1 ARG A 9 5.009 6.486 -19.669 1.00 0.00 N ATOM 134 NH2 ARG A 9 5.267 7.899 -17.923 1.00 0.00 N ATOM 0 H ARG A 9 2.852 3.102 -14.228 1.00 0.00 H new ATOM 0 HA ARG A 9 0.393 4.628 -15.073 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.158 2.836 -16.756 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.904 3.937 -17.295 1.00 0.00 H new ATOM 0 HG2 ARG A 9 2.354 5.782 -16.053 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.645 4.603 -16.173 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.683 4.669 -18.531 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.004 5.158 -18.652 1.00 0.00 H new ATOM 0 HE ARG A 9 2.696 7.474 -17.888 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.441 5.815 -20.186 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.944 6.724 -19.999 1.00 0.00 H new ATOM 0 HH21 ARG A 9 4.901 8.333 -17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.202 8.136 -18.254 1.00 0.00 H new ATOM 148 N ILE A 10 -0.840 2.480 -14.374 1.00 0.00 N ATOM 149 CA ILE A 10 -1.529 1.199 -14.090 1.00 0.00 C ATOM 150 C ILE A 10 -2.649 0.959 -15.107 1.00 0.00 C ATOM 151 O ILE A 10 -3.592 1.709 -15.205 1.00 0.00 O ATOM 152 CB ILE A 10 -2.075 1.247 -12.655 1.00 0.00 C ATOM 153 CG1 ILE A 10 -1.060 1.962 -11.740 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.303 -0.171 -12.128 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.804 2.635 -10.593 1.00 0.00 C ATOM 0 H ILE A 10 -1.344 3.325 -14.104 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.830 0.368 -14.178 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.021 1.788 -12.659 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.337 1.246 -11.349 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.499 2.703 -12.309 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.690 -0.123 -11.110 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.022 -0.685 -12.766 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.359 -0.717 -12.132 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.090 3.142 -9.944 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.509 3.363 -10.994 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.346 1.883 -10.019 1.00 0.00 H new ATOM 167 N ARG A 11 -2.534 -0.083 -15.882 1.00 0.00 N ATOM 168 CA ARG A 11 -3.572 -0.379 -16.908 1.00 0.00 C ATOM 169 C ARG A 11 -4.800 -1.009 -16.249 1.00 0.00 C ATOM 170 O ARG A 11 -4.691 -1.772 -15.313 1.00 0.00 O ATOM 171 CB ARG A 11 -3.005 -1.366 -17.930 1.00 0.00 C ATOM 172 CG ARG A 11 -3.145 -0.786 -19.333 1.00 0.00 C ATOM 173 CD ARG A 11 -2.101 0.307 -19.525 1.00 0.00 C ATOM 174 NE ARG A 11 -1.082 -0.148 -20.513 1.00 0.00 N ATOM 175 CZ ARG A 11 -1.354 -0.125 -21.789 1.00 0.00 C ATOM 176 NH1 ARG A 11 -2.588 0.013 -22.192 1.00 0.00 N ATOM 177 NH2 ARG A 11 -0.392 -0.243 -22.663 1.00 0.00 N ATOM 0 H ARG A 11 -1.760 -0.747 -15.848 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.859 0.552 -17.398 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -1.956 -1.568 -17.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.534 -2.317 -17.864 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.011 -1.569 -20.079 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.146 -0.379 -19.474 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.578 1.223 -19.874 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.623 0.539 -18.574 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.172 -0.477 -20.192 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.340 0.103 -21.509 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.800 0.031 -23.190 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.572 -0.353 -22.349 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.604 -0.225 -23.661 1.00 0.00 H new ATOM 191 N THR A 12 -5.968 -0.703 -16.742 1.00 0.00 N ATOM 192 CA THR A 12 -7.205 -1.295 -16.158 1.00 0.00 C ATOM 193 C THR A 12 -7.731 -2.384 -17.100 1.00 0.00 C ATOM 194 O THR A 12 -7.148 -2.635 -18.136 1.00 0.00 O ATOM 195 CB THR A 12 -8.274 -0.209 -15.971 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.273 -0.348 -16.973 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.643 1.181 -16.073 1.00 0.00 C ATOM 0 H THR A 12 -6.120 -0.068 -17.525 1.00 0.00 H new ATOM 0 HA THR A 12 -6.975 -1.729 -15.185 1.00 0.00 H new ATOM 0 HB THR A 12 -8.723 -0.323 -14.984 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.133 -0.036 -16.623 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.413 1.941 -15.938 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.883 1.293 -15.300 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.183 1.301 -17.054 1.00 0.00 H new ATOM 205 N PRO A 13 -8.819 -3.001 -16.712 1.00 0.00 N ATOM 206 CA PRO A 13 -9.445 -4.071 -17.505 1.00 0.00 C ATOM 207 C PRO A 13 -10.256 -3.472 -18.657 1.00 0.00 C ATOM 208 O PRO A 13 -10.763 -4.178 -19.506 1.00 0.00 O ATOM 209 CB PRO A 13 -10.356 -4.777 -16.497 1.00 0.00 C ATOM 210 CG PRO A 13 -10.634 -3.755 -15.369 1.00 0.00 C ATOM 211 CD PRO A 13 -9.525 -2.690 -15.452 1.00 0.00 C ATOM 0 HA PRO A 13 -8.724 -4.748 -17.963 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.285 -5.096 -16.970 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.877 -5.672 -16.101 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.617 -3.300 -15.493 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.629 -4.243 -14.395 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.940 -1.682 -15.466 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.854 -2.746 -14.595 1.00 0.00 H new ATOM 219 N SER A 14 -10.375 -2.174 -18.694 1.00 0.00 N ATOM 220 CA SER A 14 -11.147 -1.525 -19.791 1.00 0.00 C ATOM 221 C SER A 14 -10.177 -0.845 -20.763 1.00 0.00 C ATOM 222 O SER A 14 -10.580 -0.272 -21.755 1.00 0.00 O ATOM 223 CB SER A 14 -12.093 -0.480 -19.200 1.00 0.00 C ATOM 224 OG SER A 14 -13.003 -0.048 -20.203 1.00 0.00 O ATOM 0 H SER A 14 -9.970 -1.533 -18.011 1.00 0.00 H new ATOM 0 HA SER A 14 -11.727 -2.279 -20.323 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.638 -0.903 -18.356 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.524 0.368 -18.819 1.00 0.00 H new ATOM 0 HG SER A 14 -12.513 0.139 -21.031 1.00 0.00 H new ATOM 230 N GLY A 15 -8.902 -0.905 -20.484 1.00 0.00 N ATOM 231 CA GLY A 15 -7.911 -0.262 -21.392 1.00 0.00 C ATOM 232 C GLY A 15 -7.626 1.163 -20.916 1.00 0.00 C ATOM 233 O GLY A 15 -7.202 2.008 -21.678 1.00 0.00 O ATOM 0 H GLY A 15 -8.506 -1.371 -19.668 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.988 -0.842 -21.408 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.295 -0.245 -22.412 1.00 0.00 H new ATOM 237 N GLU A 16 -7.855 1.440 -19.660 1.00 0.00 N ATOM 238 CA GLU A 16 -7.593 2.814 -19.144 1.00 0.00 C ATOM 239 C GLU A 16 -6.229 2.849 -18.449 1.00 0.00 C ATOM 240 O GLU A 16 -5.672 1.826 -18.100 1.00 0.00 O ATOM 241 CB GLU A 16 -8.686 3.205 -18.147 1.00 0.00 C ATOM 242 CG GLU A 16 -9.448 4.421 -18.676 1.00 0.00 C ATOM 243 CD GLU A 16 -9.956 4.129 -20.089 1.00 0.00 C ATOM 244 OE1 GLU A 16 -10.468 3.041 -20.300 1.00 0.00 O ATOM 245 OE2 GLU A 16 -9.822 4.995 -20.937 1.00 0.00 O ATOM 0 H GLU A 16 -8.211 0.777 -18.972 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.594 3.519 -19.976 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.371 2.371 -17.996 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.244 3.433 -17.177 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.285 4.654 -18.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.797 5.295 -18.685 1.00 0.00 H new ATOM 252 N PHE A 17 -5.689 4.021 -18.252 1.00 0.00 N ATOM 253 CA PHE A 17 -4.359 4.136 -17.586 1.00 0.00 C ATOM 254 C PHE A 17 -4.506 4.908 -16.272 1.00 0.00 C ATOM 255 O PHE A 17 -4.946 6.040 -16.260 1.00 0.00 O ATOM 256 CB PHE A 17 -3.413 4.927 -18.498 1.00 0.00 C ATOM 257 CG PHE A 17 -2.352 4.028 -19.091 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.290 3.563 -18.301 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.418 3.681 -20.446 1.00 0.00 C ATOM 260 CE1 PHE A 17 -0.303 2.747 -18.867 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.428 2.869 -21.011 1.00 0.00 C ATOM 262 CZ PHE A 17 -0.371 2.402 -20.222 1.00 0.00 C ATOM 0 H PHE A 17 -6.113 4.908 -18.525 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.966 3.138 -17.392 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.984 5.398 -19.298 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.940 5.728 -17.930 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.234 3.834 -17.257 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.234 4.040 -21.056 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.511 2.383 -18.258 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.480 2.603 -22.056 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.393 1.775 -20.658 1.00 0.00 H new ATOM 272 N LEU A 18 -4.098 4.335 -15.172 1.00 0.00 N ATOM 273 CA LEU A 18 -4.179 5.084 -13.891 1.00 0.00 C ATOM 274 C LEU A 18 -2.824 5.731 -13.672 1.00 0.00 C ATOM 275 O LEU A 18 -1.893 5.102 -13.199 1.00 0.00 O ATOM 276 CB LEU A 18 -4.456 4.168 -12.695 1.00 0.00 C ATOM 277 CG LEU A 18 -5.798 3.455 -12.828 1.00 0.00 C ATOM 278 CD1 LEU A 18 -6.890 4.439 -13.263 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.666 2.335 -13.849 1.00 0.00 C ATOM 0 H LEU A 18 -3.717 3.391 -15.107 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.995 5.803 -13.958 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.659 3.430 -12.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.446 4.755 -11.777 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.081 3.039 -11.861 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.840 3.912 -13.353 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.983 5.231 -12.520 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.625 4.875 -14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.621 1.820 -13.950 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.376 2.754 -14.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.906 1.628 -13.517 1.00 0.00 H new ATOM 291 N GLU A 19 -2.699 6.969 -14.019 1.00 0.00 N ATOM 292 CA GLU A 19 -1.394 7.653 -13.827 1.00 0.00 C ATOM 293 C GLU A 19 -1.278 8.045 -12.360 1.00 0.00 C ATOM 294 O GLU A 19 -2.120 8.741 -11.829 1.00 0.00 O ATOM 295 CB GLU A 19 -1.321 8.904 -14.708 1.00 0.00 C ATOM 296 CG GLU A 19 -1.477 8.505 -16.177 1.00 0.00 C ATOM 297 CD GLU A 19 -0.853 9.582 -17.068 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.363 9.616 -17.158 1.00 0.00 O ATOM 299 OE2 GLU A 19 -1.602 10.352 -17.643 1.00 0.00 O ATOM 0 H GLU A 19 -3.438 7.541 -14.427 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.577 6.988 -14.107 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.105 9.606 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.369 9.412 -14.558 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.994 7.544 -16.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.532 8.382 -16.421 1.00 0.00 H new ATOM 306 N ARG A 20 -0.268 7.577 -11.687 1.00 0.00 N ATOM 307 CA ARG A 20 -0.148 7.905 -10.246 1.00 0.00 C ATOM 308 C ARG A 20 1.293 8.237 -9.872 1.00 0.00 C ATOM 309 O ARG A 20 2.201 7.462 -10.094 1.00 0.00 O ATOM 310 CB ARG A 20 -0.601 6.695 -9.436 1.00 0.00 C ATOM 311 CG ARG A 20 -1.149 7.148 -8.084 1.00 0.00 C ATOM 312 CD ARG A 20 -2.327 8.103 -8.293 1.00 0.00 C ATOM 313 NE ARG A 20 -1.839 9.510 -8.276 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.565 10.457 -8.807 1.00 0.00 C ATOM 315 NH1 ARG A 20 -2.223 10.974 -9.956 1.00 0.00 N ATOM 316 NH2 ARG A 20 -3.632 10.885 -8.191 1.00 0.00 N ATOM 0 H ARG A 20 0.472 6.988 -12.069 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.767 8.776 -10.032 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.368 6.147 -9.983 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.235 6.012 -9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.469 6.283 -7.503 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.365 7.644 -7.511 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.817 7.889 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.071 7.956 -7.510 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.939 9.734 -7.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.389 10.638 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.790 11.714 -10.371 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.900 10.480 -7.294 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.198 11.625 -8.606 1.00 0.00 H new ATOM 330 N ARG A 21 1.498 9.371 -9.265 1.00 0.00 N ATOM 331 CA ARG A 21 2.867 9.740 -8.825 1.00 0.00 C ATOM 332 C ARG A 21 2.941 9.471 -7.324 1.00 0.00 C ATOM 333 O ARG A 21 2.179 10.021 -6.553 1.00 0.00 O ATOM 334 CB ARG A 21 3.118 11.224 -9.101 1.00 0.00 C ATOM 335 CG ARG A 21 4.536 11.593 -8.661 1.00 0.00 C ATOM 336 CD ARG A 21 5.454 11.632 -9.883 1.00 0.00 C ATOM 337 NE ARG A 21 6.134 12.956 -9.950 1.00 0.00 N ATOM 338 CZ ARG A 21 5.836 13.794 -10.905 1.00 0.00 C ATOM 339 NH1 ARG A 21 5.237 14.919 -10.622 1.00 0.00 N ATOM 340 NH2 ARG A 21 6.138 13.509 -12.142 1.00 0.00 N ATOM 0 H ARG A 21 0.774 10.058 -9.055 1.00 0.00 H new ATOM 0 HA ARG A 21 3.619 9.162 -9.362 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.989 11.434 -10.163 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.390 11.833 -8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.533 12.563 -8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.905 10.865 -7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.194 10.834 -9.821 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.876 11.461 -10.791 1.00 0.00 H new ATOM 0 HE ARG A 21 6.832 13.207 -9.250 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.002 15.143 -9.655 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.004 15.574 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.607 12.631 -12.363 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.905 14.164 -12.888 1.00 0.00 H new ATOM 354 N PHE A 22 3.821 8.614 -6.895 1.00 0.00 N ATOM 355 CA PHE A 22 3.887 8.310 -5.440 1.00 0.00 C ATOM 356 C PHE A 22 5.194 8.790 -4.837 1.00 0.00 C ATOM 357 O PHE A 22 6.258 8.571 -5.380 1.00 0.00 O ATOM 358 CB PHE A 22 3.835 6.803 -5.213 1.00 0.00 C ATOM 359 CG PHE A 22 2.646 6.192 -5.881 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.357 6.481 -5.427 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.838 5.311 -6.947 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.259 5.890 -6.049 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.742 4.723 -7.567 1.00 0.00 C ATOM 364 CZ PHE A 22 0.450 5.013 -7.120 1.00 0.00 C ATOM 0 H PHE A 22 4.491 8.115 -7.480 1.00 0.00 H new ATOM 0 HA PHE A 22 3.041 8.815 -4.974 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.746 6.344 -5.597 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.800 6.596 -4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.212 7.159 -4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.837 5.087 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.740 6.110 -5.703 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.888 4.043 -8.393 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.402 4.559 -7.603 1.00 0.00 H new ATOM 374 N LEU A 23 5.134 9.367 -3.675 1.00 0.00 N ATOM 375 CA LEU A 23 6.388 9.772 -3.010 1.00 0.00 C ATOM 376 C LEU A 23 7.075 8.474 -2.605 1.00 0.00 C ATOM 377 O LEU A 23 6.445 7.577 -2.093 1.00 0.00 O ATOM 378 CB LEU A 23 6.079 10.607 -1.765 1.00 0.00 C ATOM 379 CG LEU A 23 5.319 11.871 -2.171 1.00 0.00 C ATOM 380 CD1 LEU A 23 5.210 12.809 -0.967 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.072 12.578 -3.299 1.00 0.00 C ATOM 0 H LEU A 23 4.276 9.573 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 23 7.014 10.378 -3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.485 10.023 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.005 10.875 -1.255 1.00 0.00 H new ATOM 0 HG LEU A 23 4.320 11.600 -2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.669 13.710 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.675 12.306 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.209 13.080 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.531 13.479 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.071 12.849 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.152 11.911 -4.157 1.00 0.00 H new ATOM 393 N ALA A 24 8.337 8.335 -2.858 1.00 0.00 N ATOM 394 CA ALA A 24 9.020 7.056 -2.500 1.00 0.00 C ATOM 395 C ALA A 24 8.577 6.573 -1.108 1.00 0.00 C ATOM 396 O ALA A 24 8.656 5.397 -0.799 1.00 0.00 O ATOM 397 CB ALA A 24 10.530 7.274 -2.511 1.00 0.00 C ATOM 0 H ALA A 24 8.929 9.042 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 24 8.748 6.294 -3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.034 6.343 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.845 7.591 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.792 8.044 -1.785 1.00 0.00 H new ATOM 403 N SER A 25 8.114 7.460 -0.267 1.00 0.00 N ATOM 404 CA SER A 25 7.672 7.038 1.095 1.00 0.00 C ATOM 405 C SER A 25 6.153 6.823 1.105 1.00 0.00 C ATOM 406 O SER A 25 5.553 6.613 2.141 1.00 0.00 O ATOM 407 CB SER A 25 8.038 8.123 2.108 1.00 0.00 C ATOM 408 OG SER A 25 8.045 9.387 1.459 1.00 0.00 O ATOM 0 H SER A 25 8.023 8.457 -0.464 1.00 0.00 H new ATOM 0 HA SER A 25 8.169 6.105 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.321 8.127 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.017 7.918 2.540 1.00 0.00 H new ATOM 0 HG SER A 25 8.278 10.086 2.106 1.00 0.00 H new ATOM 414 N ASN A 26 5.530 6.874 -0.039 1.00 0.00 N ATOM 415 CA ASN A 26 4.054 6.676 -0.106 1.00 0.00 C ATOM 416 C ASN A 26 3.704 5.274 0.389 1.00 0.00 C ATOM 417 O ASN A 26 4.559 4.529 0.829 1.00 0.00 O ATOM 418 CB ASN A 26 3.583 6.837 -1.554 1.00 0.00 C ATOM 419 CG ASN A 26 2.679 8.066 -1.662 1.00 0.00 C ATOM 420 OD1 ASN A 26 2.848 8.882 -2.547 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.719 8.234 -0.795 1.00 0.00 N ATOM 0 H ASN A 26 5.983 7.045 -0.937 1.00 0.00 H new ATOM 0 HA ASN A 26 3.560 7.417 0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.441 6.944 -2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.043 5.946 -1.873 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.110 9.050 -0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.577 7.549 -0.052 1.00 0.00 H new ATOM 428 N LYS A 27 2.452 4.905 0.327 1.00 0.00 N ATOM 429 CA LYS A 27 2.059 3.551 0.806 1.00 0.00 C ATOM 430 C LYS A 27 1.280 2.803 -0.281 1.00 0.00 C ATOM 431 O LYS A 27 0.413 3.347 -0.953 1.00 0.00 O ATOM 432 CB LYS A 27 1.190 3.678 2.062 1.00 0.00 C ATOM 433 CG LYS A 27 1.543 4.966 2.812 1.00 0.00 C ATOM 434 CD LYS A 27 0.488 6.035 2.518 1.00 0.00 C ATOM 435 CE LYS A 27 0.260 6.886 3.769 1.00 0.00 C ATOM 436 NZ LYS A 27 -1.058 6.539 4.374 1.00 0.00 N ATOM 0 H LYS A 27 1.690 5.480 -0.033 1.00 0.00 H new ATOM 0 HA LYS A 27 2.963 2.989 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.136 3.685 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.344 2.815 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.592 4.773 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.528 5.319 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.815 6.666 1.691 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.446 5.564 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.059 6.714 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.286 7.945 3.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.213 7.118 5.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.815 6.725 3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.066 5.532 4.634 1.00 0.00 H new ATOM 450 N LEU A 28 1.576 1.545 -0.451 1.00 0.00 N ATOM 451 CA LEU A 28 0.859 0.748 -1.477 1.00 0.00 C ATOM 452 C LEU A 28 -0.647 0.919 -1.271 1.00 0.00 C ATOM 453 O LEU A 28 -1.391 1.125 -2.209 1.00 0.00 O ATOM 454 CB LEU A 28 1.210 -0.726 -1.314 1.00 0.00 C ATOM 455 CG LEU A 28 1.507 -1.366 -2.669 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.540 -0.571 -3.456 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.018 -2.781 -2.428 1.00 0.00 C ATOM 0 H LEU A 28 2.284 1.036 0.078 1.00 0.00 H new ATOM 0 HA LEU A 28 1.148 1.087 -2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.077 -0.828 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.384 -1.250 -0.832 1.00 0.00 H new ATOM 0 HG LEU A 28 0.591 -1.380 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.723 -1.059 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.167 0.439 -3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.470 -0.522 -2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.236 -3.257 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.926 -2.742 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.258 -3.358 -1.901 1.00 0.00 H new ATOM 469 N GLN A 29 -1.106 0.835 -0.045 1.00 0.00 N ATOM 470 CA GLN A 29 -2.565 0.994 0.206 1.00 0.00 C ATOM 471 C GLN A 29 -3.036 2.278 -0.469 1.00 0.00 C ATOM 472 O GLN A 29 -4.067 2.305 -1.109 1.00 0.00 O ATOM 473 CB GLN A 29 -2.832 1.067 1.718 1.00 0.00 C ATOM 474 CG GLN A 29 -4.172 1.760 1.986 1.00 0.00 C ATOM 475 CD GLN A 29 -4.880 1.065 3.152 1.00 0.00 C ATOM 476 OE1 GLN A 29 -4.838 1.536 4.272 1.00 0.00 O ATOM 477 NE2 GLN A 29 -5.534 -0.043 2.935 1.00 0.00 N ATOM 0 H GLN A 29 -0.536 0.665 0.783 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.108 0.140 -0.200 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.843 0.063 2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.027 1.612 2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.009 2.812 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.797 1.725 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.570 -0.439 1.996 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.010 -0.514 3.705 1.00 0.00 H new ATOM 486 N ILE A 30 -2.290 3.343 -0.352 1.00 0.00 N ATOM 487 CA ILE A 30 -2.727 4.593 -1.017 1.00 0.00 C ATOM 488 C ILE A 30 -2.821 4.317 -2.507 1.00 0.00 C ATOM 489 O ILE A 30 -3.766 4.696 -3.166 1.00 0.00 O ATOM 490 CB ILE A 30 -1.728 5.725 -0.742 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.531 7.017 -0.547 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.736 5.886 -1.911 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.665 8.243 -0.854 1.00 0.00 C ATOM 0 H ILE A 30 -1.413 3.398 0.166 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.696 4.908 -0.630 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.144 5.495 0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.405 7.010 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.898 7.072 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.040 6.695 -1.689 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.181 4.958 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.284 6.119 -2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.253 9.149 -0.710 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.805 8.258 -0.184 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.320 8.195 -1.887 1.00 0.00 H new ATOM 505 N VAL A 31 -1.850 3.634 -3.041 1.00 0.00 N ATOM 506 CA VAL A 31 -1.913 3.315 -4.494 1.00 0.00 C ATOM 507 C VAL A 31 -3.225 2.592 -4.746 1.00 0.00 C ATOM 508 O VAL A 31 -4.013 2.947 -5.603 1.00 0.00 O ATOM 509 CB VAL A 31 -0.758 2.403 -4.902 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.567 2.497 -6.413 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.517 2.846 -4.190 1.00 0.00 C ATOM 0 H VAL A 31 -1.028 3.287 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.843 4.235 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.980 1.373 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.256 1.850 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.481 2.182 -6.916 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.339 3.527 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.341 2.195 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.751 3.874 -4.468 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.371 2.786 -3.111 1.00 0.00 H new ATOM 521 N PHE A 32 -3.453 1.570 -3.987 1.00 0.00 N ATOM 522 CA PHE A 32 -4.704 0.782 -4.139 1.00 0.00 C ATOM 523 C PHE A 32 -5.922 1.703 -4.014 1.00 0.00 C ATOM 524 O PHE A 32 -6.886 1.576 -4.746 1.00 0.00 O ATOM 525 CB PHE A 32 -4.758 -0.268 -3.030 1.00 0.00 C ATOM 526 CG PHE A 32 -3.496 -1.109 -3.050 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.562 -0.966 -4.087 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.263 -2.043 -2.029 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.408 -1.749 -4.099 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.104 -2.827 -2.047 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.180 -2.680 -3.078 1.00 0.00 C ATOM 0 H PHE A 32 -2.822 1.239 -3.258 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.716 0.304 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.865 0.220 -2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.632 -0.906 -3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.737 -0.250 -4.876 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.979 -2.157 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.689 -1.637 -4.897 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.926 -3.546 -1.261 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.286 -3.285 -3.090 1.00 0.00 H new ATOM 541 N ASP A 33 -5.895 2.623 -3.087 1.00 0.00 N ATOM 542 CA ASP A 33 -7.062 3.534 -2.912 1.00 0.00 C ATOM 543 C ASP A 33 -7.186 4.476 -4.112 1.00 0.00 C ATOM 544 O ASP A 33 -8.257 4.670 -4.655 1.00 0.00 O ATOM 545 CB ASP A 33 -6.871 4.361 -1.639 1.00 0.00 C ATOM 546 CG ASP A 33 -8.016 4.072 -0.666 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.488 2.947 -0.654 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.400 4.980 0.052 1.00 0.00 O ATOM 0 H ASP A 33 -5.118 2.782 -2.446 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.970 2.936 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.915 4.118 -1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.846 5.423 -1.883 1.00 0.00 H new ATOM 553 N PHE A 34 -6.106 5.074 -4.526 1.00 0.00 N ATOM 554 CA PHE A 34 -6.174 6.013 -5.677 1.00 0.00 C ATOM 555 C PHE A 34 -6.768 5.299 -6.896 1.00 0.00 C ATOM 556 O PHE A 34 -7.684 5.790 -7.525 1.00 0.00 O ATOM 557 CB PHE A 34 -4.754 6.524 -5.980 1.00 0.00 C ATOM 558 CG PHE A 34 -4.260 6.006 -7.312 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.723 6.573 -8.504 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.346 4.956 -7.346 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.262 6.083 -9.732 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.886 4.465 -8.565 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.343 5.028 -9.762 1.00 0.00 C ATOM 0 H PHE A 34 -5.179 4.953 -4.117 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.816 6.860 -5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.750 7.614 -5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.074 6.208 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.434 7.386 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.992 4.521 -6.423 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.615 6.519 -10.655 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.177 3.650 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.987 4.649 -10.708 1.00 0.00 H new ATOM 573 N VAL A 35 -6.253 4.149 -7.242 1.00 0.00 N ATOM 574 CA VAL A 35 -6.817 3.445 -8.435 1.00 0.00 C ATOM 575 C VAL A 35 -8.281 3.118 -8.160 1.00 0.00 C ATOM 576 O VAL A 35 -9.151 3.447 -8.942 1.00 0.00 O ATOM 577 CB VAL A 35 -6.059 2.146 -8.744 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.010 2.410 -9.826 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.368 1.618 -7.485 1.00 0.00 C ATOM 0 H VAL A 35 -5.486 3.675 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.718 4.101 -9.300 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.772 1.400 -9.095 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.473 1.487 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.502 2.766 -10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.307 3.165 -9.474 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.835 0.697 -7.721 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.661 2.362 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.115 1.418 -6.717 1.00 0.00 H new ATOM 589 N ALA A 36 -8.576 2.501 -7.045 1.00 0.00 N ATOM 590 CA ALA A 36 -10.001 2.197 -6.745 1.00 0.00 C ATOM 591 C ALA A 36 -10.767 3.523 -6.682 1.00 0.00 C ATOM 592 O ALA A 36 -11.977 3.565 -6.730 1.00 0.00 O ATOM 593 CB ALA A 36 -10.113 1.436 -5.422 1.00 0.00 C ATOM 0 H ALA A 36 -7.902 2.200 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.427 1.564 -7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.161 1.220 -5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.556 0.501 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.701 2.044 -4.616 1.00 0.00 H new ATOM 599 N SER A 37 -10.063 4.616 -6.596 1.00 0.00 N ATOM 600 CA SER A 37 -10.743 5.935 -6.573 1.00 0.00 C ATOM 601 C SER A 37 -10.939 6.405 -8.022 1.00 0.00 C ATOM 602 O SER A 37 -11.661 7.346 -8.290 1.00 0.00 O ATOM 603 CB SER A 37 -9.880 6.946 -5.817 1.00 0.00 C ATOM 604 OG SER A 37 -10.481 7.227 -4.559 1.00 0.00 O ATOM 0 H SER A 37 -9.045 4.651 -6.541 1.00 0.00 H new ATOM 0 HA SER A 37 -11.708 5.850 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.875 6.548 -5.673 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.780 7.863 -6.398 1.00 0.00 H new ATOM 0 HG SER A 37 -9.930 7.873 -4.070 1.00 0.00 H new ATOM 610 N LYS A 38 -10.279 5.761 -8.958 1.00 0.00 N ATOM 611 CA LYS A 38 -10.399 6.170 -10.389 1.00 0.00 C ATOM 612 C LYS A 38 -11.631 5.522 -11.043 1.00 0.00 C ATOM 613 O LYS A 38 -12.701 6.098 -11.067 1.00 0.00 O ATOM 614 CB LYS A 38 -9.134 5.738 -11.140 1.00 0.00 C ATOM 615 CG LYS A 38 -8.285 6.970 -11.464 1.00 0.00 C ATOM 616 CD LYS A 38 -8.002 7.747 -10.176 1.00 0.00 C ATOM 617 CE LYS A 38 -8.725 9.095 -10.220 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.744 10.194 -9.997 1.00 0.00 N ATOM 0 H LYS A 38 -9.661 4.967 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.515 7.253 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.560 5.037 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.404 5.218 -12.059 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.348 6.667 -11.932 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.807 7.607 -12.179 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.335 7.172 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.929 7.902 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.218 9.224 -11.184 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.503 9.127 -9.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.236 11.110 -10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.293 10.074 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.017 10.167 -10.741 1.00 0.00 H new ATOM 632 N GLY A 39 -11.485 4.345 -11.596 1.00 0.00 N ATOM 633 CA GLY A 39 -12.647 3.687 -12.272 1.00 0.00 C ATOM 634 C GLY A 39 -12.905 2.298 -11.673 1.00 0.00 C ATOM 635 O GLY A 39 -13.735 1.548 -12.146 1.00 0.00 O ATOM 0 H GLY A 39 -10.616 3.812 -11.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.537 4.307 -12.163 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.450 3.597 -13.340 1.00 0.00 H new ATOM 745 N LYS A 46 -6.732 -5.915 -6.812 1.00 0.00 N ATOM 746 CA LYS A 46 -5.268 -6.070 -6.623 1.00 0.00 C ATOM 747 C LYS A 46 -4.570 -5.675 -7.924 1.00 0.00 C ATOM 748 O LYS A 46 -5.008 -6.019 -9.006 1.00 0.00 O ATOM 749 CB LYS A 46 -4.937 -7.526 -6.288 1.00 0.00 C ATOM 750 CG LYS A 46 -4.400 -7.612 -4.859 1.00 0.00 C ATOM 751 CD LYS A 46 -5.517 -7.276 -3.867 1.00 0.00 C ATOM 752 CE LYS A 46 -6.726 -8.180 -4.121 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.301 -9.608 -4.075 1.00 0.00 N ATOM 0 HA LYS A 46 -4.930 -5.435 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.828 -8.145 -6.391 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.198 -7.912 -6.989 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.016 -8.613 -4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.567 -6.921 -4.731 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.161 -7.409 -2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.805 -6.230 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.495 -7.995 -3.371 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.166 -7.952 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.137 -10.215 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.815 -9.854 -4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.654 -9.752 -3.274 1.00 0.00 H new ATOM 767 N LEU A 47 -3.493 -4.953 -7.828 1.00 0.00 N ATOM 768 CA LEU A 47 -2.766 -4.534 -9.054 1.00 0.00 C ATOM 769 C LEU A 47 -1.657 -5.544 -9.335 1.00 0.00 C ATOM 770 O LEU A 47 -1.142 -6.164 -8.435 1.00 0.00 O ATOM 771 CB LEU A 47 -2.169 -3.153 -8.829 1.00 0.00 C ATOM 772 CG LEU A 47 -3.290 -2.179 -8.479 1.00 0.00 C ATOM 773 CD1 LEU A 47 -2.791 -1.179 -7.439 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.728 -1.438 -9.743 1.00 0.00 C ATOM 0 H LEU A 47 -3.083 -4.634 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.446 -4.495 -9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.435 -3.187 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.645 -2.819 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.138 -2.727 -8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.592 -0.483 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.481 -1.713 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.943 -0.626 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.529 -0.741 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.882 -0.888 -10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.086 -2.157 -10.480 1.00 0.00 H new ATOM 786 N LEU A 48 -1.299 -5.730 -10.573 1.00 0.00 N ATOM 787 CA LEU A 48 -0.233 -6.714 -10.899 1.00 0.00 C ATOM 788 C LEU A 48 1.036 -5.965 -11.310 1.00 0.00 C ATOM 789 O LEU A 48 1.026 -5.162 -12.225 1.00 0.00 O ATOM 790 CB LEU A 48 -0.718 -7.615 -12.045 1.00 0.00 C ATOM 791 CG LEU A 48 0.457 -8.359 -12.693 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.179 -7.434 -13.675 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.437 -8.827 -11.614 1.00 0.00 C ATOM 0 H LEU A 48 -1.699 -5.242 -11.374 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.011 -7.332 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.444 -8.334 -11.665 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.230 -7.012 -12.795 1.00 0.00 H new ATOM 0 HG LEU A 48 0.074 -9.227 -13.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.012 -7.968 -14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.484 -7.114 -14.451 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.556 -6.561 -13.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.268 -9.354 -12.082 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.816 -7.963 -11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.925 -9.497 -10.923 1.00 0.00 H new ATOM 805 N SER A 49 2.130 -6.218 -10.638 1.00 0.00 N ATOM 806 CA SER A 49 3.402 -5.522 -10.984 1.00 0.00 C ATOM 807 C SER A 49 3.971 -6.147 -12.253 1.00 0.00 C ATOM 808 O SER A 49 4.218 -7.343 -12.310 1.00 0.00 O ATOM 809 CB SER A 49 4.402 -5.681 -9.840 1.00 0.00 C ATOM 810 OG SER A 49 3.852 -6.544 -8.855 1.00 0.00 O ATOM 0 H SER A 49 2.195 -6.878 -9.863 1.00 0.00 H new ATOM 0 HA SER A 49 3.213 -4.461 -11.145 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.340 -6.089 -10.215 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.630 -4.709 -9.403 1.00 0.00 H new ATOM 0 HG SER A 49 3.672 -7.421 -9.253 1.00 0.00 H new ATOM 816 N THR A 50 4.161 -5.343 -13.270 1.00 0.00 N ATOM 817 CA THR A 50 4.684 -5.864 -14.565 1.00 0.00 C ATOM 818 C THR A 50 6.215 -5.814 -14.600 1.00 0.00 C ATOM 819 O THR A 50 6.821 -6.201 -15.580 1.00 0.00 O ATOM 820 CB THR A 50 4.137 -5.011 -15.716 1.00 0.00 C ATOM 821 OG1 THR A 50 4.969 -3.874 -15.894 1.00 0.00 O ATOM 822 CG2 THR A 50 2.709 -4.553 -15.402 1.00 0.00 C ATOM 0 H THR A 50 3.974 -4.340 -13.255 1.00 0.00 H new ATOM 0 HA THR A 50 4.362 -6.900 -14.670 1.00 0.00 H new ATOM 0 HB THR A 50 4.125 -5.608 -16.628 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.626 -3.130 -15.356 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.331 -3.948 -16.226 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.068 -5.425 -15.268 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.710 -3.960 -14.488 1.00 0.00 H new ATOM 830 N PHE A 51 6.860 -5.361 -13.559 1.00 0.00 N ATOM 831 CA PHE A 51 8.347 -5.332 -13.604 1.00 0.00 C ATOM 832 C PHE A 51 8.855 -6.724 -13.211 1.00 0.00 C ATOM 833 O PHE A 51 9.486 -7.389 -14.008 1.00 0.00 O ATOM 834 CB PHE A 51 8.929 -4.240 -12.682 1.00 0.00 C ATOM 835 CG PHE A 51 7.828 -3.400 -12.060 1.00 0.00 C ATOM 836 CD1 PHE A 51 6.848 -2.810 -12.868 1.00 0.00 C ATOM 837 CD2 PHE A 51 7.795 -3.205 -10.672 1.00 0.00 C ATOM 838 CE1 PHE A 51 5.837 -2.034 -12.290 1.00 0.00 C ATOM 839 CE2 PHE A 51 6.784 -2.428 -10.096 1.00 0.00 C ATOM 840 CZ PHE A 51 5.805 -1.843 -10.904 1.00 0.00 C ATOM 0 H PHE A 51 6.433 -5.017 -12.699 1.00 0.00 H new ATOM 0 HA PHE A 51 8.678 -5.081 -14.612 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.524 -4.704 -11.895 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.600 -3.599 -13.253 1.00 0.00 H new ATOM 0 HD1 PHE A 51 6.873 -2.954 -13.938 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.551 -3.655 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.081 -1.582 -12.914 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.760 -2.280 -9.026 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.024 -1.244 -10.459 1.00 0.00 H new ATOM 850 N PRO A 52 8.529 -7.152 -12.014 1.00 0.00 N ATOM 851 CA PRO A 52 8.901 -8.487 -11.531 1.00 0.00 C ATOM 852 C PRO A 52 7.841 -9.482 -12.003 1.00 0.00 C ATOM 853 O PRO A 52 8.048 -10.679 -12.018 1.00 0.00 O ATOM 854 CB PRO A 52 8.827 -8.357 -10.011 1.00 0.00 C ATOM 855 CG PRO A 52 7.855 -7.186 -9.731 1.00 0.00 C ATOM 856 CD PRO A 52 7.779 -6.354 -11.025 1.00 0.00 C ATOM 0 HA PRO A 52 9.877 -8.824 -11.881 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.467 -9.280 -9.557 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.811 -8.157 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.869 -7.559 -9.453 1.00 0.00 H new ATOM 0 HG3 PRO A 52 8.212 -6.577 -8.900 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.747 -6.199 -11.339 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.223 -5.367 -10.891 1.00 0.00 H new ATOM 864 N ARG A 53 6.683 -8.980 -12.357 1.00 0.00 N ATOM 865 CA ARG A 53 5.576 -9.872 -12.793 1.00 0.00 C ATOM 866 C ARG A 53 4.992 -10.527 -11.544 1.00 0.00 C ATOM 867 O ARG A 53 4.896 -11.734 -11.451 1.00 0.00 O ATOM 868 CB ARG A 53 6.119 -10.948 -13.737 1.00 0.00 C ATOM 869 CG ARG A 53 5.177 -11.100 -14.933 1.00 0.00 C ATOM 870 CD ARG A 53 5.830 -11.996 -15.988 1.00 0.00 C ATOM 871 NE ARG A 53 6.761 -11.184 -16.822 1.00 0.00 N ATOM 872 CZ ARG A 53 6.841 -11.398 -18.108 1.00 0.00 C ATOM 873 NH1 ARG A 53 6.965 -12.616 -18.561 1.00 0.00 N ATOM 874 NH2 ARG A 53 6.796 -10.394 -18.940 1.00 0.00 N ATOM 0 H ARG A 53 6.461 -7.984 -12.361 1.00 0.00 H new ATOM 0 HA ARG A 53 4.811 -9.304 -13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.118 -10.676 -14.079 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.210 -11.897 -13.209 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.230 -11.532 -14.610 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.953 -10.122 -15.359 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.372 -12.809 -15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.065 -12.452 -16.617 1.00 0.00 H new ATOM 0 HE ARG A 53 7.336 -10.461 -16.388 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.999 -13.401 -17.911 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.027 -12.783 -19.565 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.698 -9.442 -18.586 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.858 -10.561 -19.944 1.00 0.00 H new ATOM 888 N ARG A 54 4.627 -9.737 -10.566 1.00 0.00 N ATOM 889 CA ARG A 54 4.080 -10.333 -9.310 1.00 0.00 C ATOM 890 C ARG A 54 2.857 -9.552 -8.824 1.00 0.00 C ATOM 891 O ARG A 54 2.542 -8.494 -9.325 1.00 0.00 O ATOM 892 CB ARG A 54 5.165 -10.314 -8.229 1.00 0.00 C ATOM 893 CG ARG A 54 5.312 -8.899 -7.665 1.00 0.00 C ATOM 894 CD ARG A 54 6.543 -8.838 -6.759 1.00 0.00 C ATOM 895 NE ARG A 54 6.214 -9.436 -5.435 1.00 0.00 N ATOM 896 CZ ARG A 54 7.094 -10.172 -4.812 1.00 0.00 C ATOM 897 NH1 ARG A 54 8.368 -9.923 -4.950 1.00 0.00 N ATOM 898 NH2 ARG A 54 6.701 -11.159 -4.055 1.00 0.00 N ATOM 0 H ARG A 54 4.683 -8.719 -10.581 1.00 0.00 H new ATOM 0 HA ARG A 54 3.774 -11.359 -9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.907 -11.009 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.114 -10.649 -8.648 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.410 -8.180 -8.478 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.419 -8.625 -7.103 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.372 -9.377 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.865 -7.804 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 54 5.300 -9.270 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.676 -9.153 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.056 -10.498 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.706 -11.356 -3.950 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.389 -11.734 -3.568 1.00 0.00 H new ATOM 912 N ASP A 55 2.173 -10.068 -7.838 1.00 0.00 N ATOM 913 CA ASP A 55 0.973 -9.363 -7.305 1.00 0.00 C ATOM 914 C ASP A 55 1.381 -7.991 -6.761 1.00 0.00 C ATOM 915 O ASP A 55 1.940 -7.880 -5.692 1.00 0.00 O ATOM 916 CB ASP A 55 0.352 -10.194 -6.179 1.00 0.00 C ATOM 917 CG ASP A 55 -1.150 -10.345 -6.426 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.893 -9.483 -5.985 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.532 -11.320 -7.053 1.00 0.00 O ATOM 0 H ASP A 55 2.395 -10.951 -7.378 1.00 0.00 H new ATOM 0 HA ASP A 55 0.245 -9.232 -8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.824 -11.175 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.527 -9.711 -5.217 1.00 0.00 H new ATOM 924 N VAL A 56 1.089 -6.956 -7.502 1.00 0.00 N ATOM 925 CA VAL A 56 1.425 -5.559 -7.086 1.00 0.00 C ATOM 926 C VAL A 56 2.769 -5.500 -6.360 1.00 0.00 C ATOM 927 O VAL A 56 2.909 -5.913 -5.236 1.00 0.00 O ATOM 928 CB VAL A 56 0.305 -4.983 -6.212 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.453 -5.460 -4.774 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.369 -3.454 -6.255 1.00 0.00 C ATOM 0 H VAL A 56 0.618 -7.021 -8.404 1.00 0.00 H new ATOM 0 HA VAL A 56 1.514 -4.950 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.656 -5.325 -6.595 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.350 -5.042 -4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.401 -6.548 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.414 -5.132 -4.379 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.426 -3.039 -5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.336 -3.120 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.243 -3.113 -7.283 1.00 0.00 H new ATOM 940 N THR A 57 3.741 -4.963 -7.035 1.00 0.00 N ATOM 941 CA THR A 57 5.131 -4.810 -6.493 1.00 0.00 C ATOM 942 C THR A 57 5.277 -5.265 -5.026 1.00 0.00 C ATOM 943 O THR A 57 5.314 -4.463 -4.115 1.00 0.00 O ATOM 944 CB THR A 57 5.546 -3.339 -6.617 1.00 0.00 C ATOM 945 OG1 THR A 57 6.414 -2.997 -5.548 1.00 0.00 O ATOM 946 CG2 THR A 57 4.305 -2.442 -6.582 1.00 0.00 C ATOM 0 H THR A 57 3.630 -4.606 -7.984 1.00 0.00 H new ATOM 0 HA THR A 57 5.780 -5.460 -7.081 1.00 0.00 H new ATOM 0 HB THR A 57 6.065 -3.192 -7.564 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.299 -2.773 -5.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.608 -1.399 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.646 -2.700 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.777 -2.588 -5.640 1.00 0.00 H new ATOM 954 N GLN A 58 5.417 -6.552 -4.814 1.00 0.00 N ATOM 955 CA GLN A 58 5.638 -7.098 -3.427 1.00 0.00 C ATOM 956 C GLN A 58 4.345 -7.195 -2.603 1.00 0.00 C ATOM 957 O GLN A 58 4.321 -7.834 -1.570 1.00 0.00 O ATOM 958 CB GLN A 58 6.642 -6.212 -2.686 1.00 0.00 C ATOM 959 CG GLN A 58 7.851 -7.055 -2.275 1.00 0.00 C ATOM 960 CD GLN A 58 8.680 -6.289 -1.241 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.406 -5.141 -0.954 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.690 -6.882 -0.666 1.00 0.00 N ATOM 0 H GLN A 58 5.388 -7.259 -5.548 1.00 0.00 H new ATOM 0 HA GLN A 58 6.022 -8.112 -3.543 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.959 -5.388 -3.325 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.175 -5.771 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.520 -8.006 -1.859 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.461 -7.285 -3.148 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.920 -7.846 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.250 -6.382 0.025 1.00 0.00 H new ATOM 971 N LEU A 59 3.280 -6.587 -3.026 1.00 0.00 N ATOM 972 CA LEU A 59 2.016 -6.676 -2.238 1.00 0.00 C ATOM 973 C LEU A 59 2.176 -5.952 -0.904 1.00 0.00 C ATOM 974 O LEU A 59 3.106 -5.198 -0.702 1.00 0.00 O ATOM 975 CB LEU A 59 1.669 -8.145 -1.989 1.00 0.00 C ATOM 976 CG LEU A 59 0.555 -8.566 -2.945 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.277 -10.061 -2.782 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.715 -7.774 -2.627 1.00 0.00 C ATOM 0 H LEU A 59 3.224 -6.032 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 59 1.212 -6.203 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.549 -8.770 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.351 -8.286 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 59 0.863 -8.365 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.518 -10.360 -3.465 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.181 -10.626 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.030 -10.264 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.511 -8.074 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.022 -7.975 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.518 -6.708 -2.745 1.00 0.00 H new ATOM 990 N ASP A 60 1.262 -6.167 0.003 1.00 0.00 N ATOM 991 CA ASP A 60 1.342 -5.485 1.324 1.00 0.00 C ATOM 992 C ASP A 60 0.864 -4.039 1.165 1.00 0.00 C ATOM 993 O ASP A 60 1.657 -3.146 0.931 1.00 0.00 O ATOM 994 CB ASP A 60 2.788 -5.498 1.826 1.00 0.00 C ATOM 995 CG ASP A 60 3.419 -6.858 1.526 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.699 -7.843 1.552 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.613 -6.893 1.275 1.00 0.00 O ATOM 0 H ASP A 60 0.461 -6.788 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 60 0.712 -6.005 2.046 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.359 -4.705 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.814 -5.301 2.898 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.423 -3.851 1.307 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.045 -2.522 1.182 1.00 0.00 C ATOM 1004 C PRO A 61 -0.662 -1.654 2.373 1.00 0.00 C ATOM 1005 O PRO A 61 -0.897 -0.463 2.397 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.548 -2.823 1.158 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.720 -4.216 1.805 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.371 -4.938 1.633 1.00 0.00 C ATOM 0 HA PRO A 61 -0.726 -1.972 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.105 -2.066 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.930 -2.818 0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.982 -4.126 2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.524 -4.773 1.323 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.080 -5.462 2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.415 -5.682 0.837 1.00 0.00 H new ATOM 1016 N ASN A 62 -0.046 -2.246 3.350 1.00 0.00 N ATOM 1017 CA ASN A 62 0.378 -1.471 4.545 1.00 0.00 C ATOM 1018 C ASN A 62 1.865 -1.147 4.427 1.00 0.00 C ATOM 1019 O ASN A 62 2.435 -0.483 5.271 1.00 0.00 O ATOM 1020 CB ASN A 62 0.134 -2.300 5.808 1.00 0.00 C ATOM 1021 CG ASN A 62 -0.543 -1.427 6.867 1.00 0.00 C ATOM 1022 OD1 ASN A 62 -0.651 -0.228 6.703 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -1.004 -1.981 7.954 1.00 0.00 N ATOM 0 H ASN A 62 0.184 -3.239 3.374 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.197 -0.547 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.493 -3.161 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.079 -2.687 6.190 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.455 -1.408 8.667 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.913 -2.988 8.091 1.00 0.00 H new ATOM 1030 N LYS A 63 2.499 -1.608 3.384 1.00 0.00 N ATOM 1031 CA LYS A 63 3.944 -1.323 3.214 1.00 0.00 C ATOM 1032 C LYS A 63 4.115 0.000 2.471 1.00 0.00 C ATOM 1033 O LYS A 63 3.228 0.454 1.773 1.00 0.00 O ATOM 1034 CB LYS A 63 4.596 -2.450 2.410 1.00 0.00 C ATOM 1035 CG LYS A 63 5.331 -3.396 3.359 1.00 0.00 C ATOM 1036 CD LYS A 63 5.615 -4.719 2.646 1.00 0.00 C ATOM 1037 CE LYS A 63 7.124 -4.969 2.616 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.422 -6.288 3.242 1.00 0.00 N ATOM 0 H LYS A 63 2.076 -2.169 2.645 1.00 0.00 H new ATOM 0 HA LYS A 63 4.420 -1.255 4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.838 -2.997 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.293 -2.035 1.682 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.265 -2.942 3.690 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.729 -3.573 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.110 -5.537 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.220 -4.689 1.630 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.486 -4.952 1.588 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.646 -4.175 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.448 -6.458 3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.091 -6.287 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.936 -7.041 2.714 1.00 0.00 H new ATOM 1052 N SER A 64 5.252 0.613 2.607 1.00 0.00 N ATOM 1053 CA SER A 64 5.493 1.896 1.901 1.00 0.00 C ATOM 1054 C SER A 64 6.107 1.566 0.547 1.00 0.00 C ATOM 1055 O SER A 64 6.382 0.419 0.257 1.00 0.00 O ATOM 1056 CB SER A 64 6.449 2.769 2.715 1.00 0.00 C ATOM 1057 OG SER A 64 7.788 2.447 2.369 1.00 0.00 O ATOM 0 H SER A 64 6.028 0.280 3.179 1.00 0.00 H new ATOM 0 HA SER A 64 4.560 2.446 1.773 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.254 3.823 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.288 2.608 3.781 1.00 0.00 H new ATOM 0 HG SER A 64 8.379 3.186 2.624 1.00 0.00 H new ATOM 1063 N LEU A 65 6.288 2.528 -0.306 1.00 0.00 N ATOM 1064 CA LEU A 65 6.837 2.201 -1.648 1.00 0.00 C ATOM 1065 C LEU A 65 8.307 1.816 -1.543 1.00 0.00 C ATOM 1066 O LEU A 65 8.719 0.825 -2.097 1.00 0.00 O ATOM 1067 CB LEU A 65 6.683 3.403 -2.565 1.00 0.00 C ATOM 1068 CG LEU A 65 5.243 3.458 -3.060 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.065 4.679 -3.942 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.922 2.198 -3.871 1.00 0.00 C ATOM 0 H LEU A 65 6.084 3.513 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 65 6.286 1.355 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.935 4.320 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.370 3.326 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 65 4.570 3.516 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.036 4.723 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.289 5.578 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.742 4.614 -4.794 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.891 2.244 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.594 2.135 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.052 1.317 -3.242 1.00 0.00 H new ATOM 1082 N LEU A 66 9.108 2.562 -0.843 1.00 0.00 N ATOM 1083 CA LEU A 66 10.542 2.170 -0.743 1.00 0.00 C ATOM 1084 C LEU A 66 10.625 0.693 -0.350 1.00 0.00 C ATOM 1085 O LEU A 66 11.422 -0.053 -0.882 1.00 0.00 O ATOM 1086 CB LEU A 66 11.244 3.029 0.322 1.00 0.00 C ATOM 1087 CG LEU A 66 11.898 4.294 -0.285 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.548 4.468 -1.770 1.00 0.00 C ATOM 1089 CD2 LEU A 66 11.409 5.520 0.488 1.00 0.00 C ATOM 0 H LEU A 66 8.843 3.411 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 66 11.034 2.326 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.521 3.325 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.007 2.432 0.823 1.00 0.00 H new ATOM 0 HG LEU A 66 12.980 4.185 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.028 5.368 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.899 3.602 -2.331 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.467 4.558 -1.881 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.863 6.419 0.070 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.324 5.591 0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.691 5.425 1.537 1.00 0.00 H new ATOM 1101 N GLU A 67 9.799 0.258 0.560 1.00 0.00 N ATOM 1102 CA GLU A 67 9.839 -1.182 0.962 1.00 0.00 C ATOM 1103 C GLU A 67 9.529 -2.032 -0.265 1.00 0.00 C ATOM 1104 O GLU A 67 10.126 -3.068 -0.485 1.00 0.00 O ATOM 1105 CB GLU A 67 8.803 -1.497 2.053 1.00 0.00 C ATOM 1106 CG GLU A 67 8.302 -0.216 2.715 1.00 0.00 C ATOM 1107 CD GLU A 67 9.492 0.576 3.265 1.00 0.00 C ATOM 1108 OE1 GLU A 67 9.977 0.216 4.326 1.00 0.00 O ATOM 1109 OE2 GLU A 67 9.901 1.526 2.618 1.00 0.00 O ATOM 0 H GLU A 67 9.103 0.828 1.041 1.00 0.00 H new ATOM 0 HA GLU A 67 10.829 -1.401 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.963 -2.038 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.247 -2.150 2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.753 0.388 1.993 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.609 -0.458 3.521 1.00 0.00 H new ATOM 1116 N VAL A 68 8.603 -1.598 -1.074 1.00 0.00 N ATOM 1117 CA VAL A 68 8.268 -2.381 -2.295 1.00 0.00 C ATOM 1118 C VAL A 68 9.033 -1.813 -3.499 1.00 0.00 C ATOM 1119 O VAL A 68 8.850 -2.239 -4.620 1.00 0.00 O ATOM 1120 CB VAL A 68 6.756 -2.352 -2.555 1.00 0.00 C ATOM 1121 CG1 VAL A 68 6.038 -3.134 -1.454 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.234 -0.917 -2.564 1.00 0.00 C ATOM 0 H VAL A 68 8.067 -0.740 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 68 8.565 -3.419 -2.144 1.00 0.00 H new ATOM 0 HB VAL A 68 6.564 -2.803 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.963 -3.115 -1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.388 -4.166 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.250 -2.679 -0.487 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.160 -0.922 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.433 -0.451 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.736 -0.352 -3.350 1.00 0.00 H new ATOM 1132 N LYS A 69 9.895 -0.856 -3.259 1.00 0.00 N ATOM 1133 CA LYS A 69 10.705 -0.243 -4.356 1.00 0.00 C ATOM 1134 C LYS A 69 9.874 -0.080 -5.629 1.00 0.00 C ATOM 1135 O LYS A 69 10.020 -0.813 -6.586 1.00 0.00 O ATOM 1136 CB LYS A 69 11.948 -1.103 -4.641 1.00 0.00 C ATOM 1137 CG LYS A 69 11.549 -2.529 -5.034 1.00 0.00 C ATOM 1138 CD LYS A 69 11.384 -3.384 -3.776 1.00 0.00 C ATOM 1139 CE LYS A 69 10.307 -4.444 -4.015 1.00 0.00 C ATOM 1140 NZ LYS A 69 10.956 -5.752 -4.313 1.00 0.00 N ATOM 0 H LYS A 69 10.074 -0.468 -2.333 1.00 0.00 H new ATOM 0 HA LYS A 69 11.023 0.747 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.532 -0.651 -5.443 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.586 -1.130 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.617 -2.513 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.309 -2.964 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.330 -3.863 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.108 -2.755 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.669 -4.534 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.666 -4.146 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.225 -6.473 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.547 -5.660 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.550 -6.036 -3.508 1.00 0.00 H new ATOM 1207 N GLN A 73 9.917 4.982 -13.024 1.00 0.00 N ATOM 1208 CA GLN A 73 8.808 4.777 -14.002 1.00 0.00 C ATOM 1209 C GLN A 73 8.381 3.310 -13.970 1.00 0.00 C ATOM 1210 O GLN A 73 9.125 2.432 -14.359 1.00 0.00 O ATOM 1211 CB GLN A 73 9.290 5.140 -15.408 1.00 0.00 C ATOM 1212 CG GLN A 73 9.471 6.655 -15.510 1.00 0.00 C ATOM 1213 CD GLN A 73 10.327 6.987 -16.734 1.00 0.00 C ATOM 1214 OE1 GLN A 73 10.214 6.347 -17.759 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.185 7.969 -16.667 1.00 0.00 N ATOM 0 HA GLN A 73 7.963 5.413 -13.738 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.232 4.635 -15.623 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.569 4.798 -16.151 1.00 0.00 H new ATOM 0 HG2 GLN A 73 8.500 7.143 -15.589 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.947 7.037 -14.606 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.279 8.506 -15.805 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.761 8.199 -17.477 1.00 0.00 H new ATOM 1224 N GLU A 74 7.197 3.030 -13.491 1.00 0.00 N ATOM 1225 CA GLU A 74 6.753 1.608 -13.422 1.00 0.00 C ATOM 1226 C GLU A 74 5.294 1.476 -13.892 1.00 0.00 C ATOM 1227 O GLU A 74 4.503 2.386 -13.763 1.00 0.00 O ATOM 1228 CB GLU A 74 6.891 1.112 -11.980 1.00 0.00 C ATOM 1229 CG GLU A 74 8.369 0.870 -11.654 1.00 0.00 C ATOM 1230 CD GLU A 74 9.006 -0.004 -12.737 1.00 0.00 C ATOM 1231 OE1 GLU A 74 8.281 -0.748 -13.375 1.00 0.00 O ATOM 1232 OE2 GLU A 74 10.211 0.086 -12.908 1.00 0.00 O ATOM 0 H GLU A 74 6.525 3.717 -13.148 1.00 0.00 H new ATOM 0 HA GLU A 74 7.377 1.002 -14.079 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.473 1.846 -11.291 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.324 0.191 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.896 1.822 -11.586 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.461 0.385 -10.682 1.00 0.00 H new ATOM 1239 N THR A 75 4.940 0.348 -14.460 1.00 0.00 N ATOM 1240 CA THR A 75 3.540 0.160 -14.953 1.00 0.00 C ATOM 1241 C THR A 75 2.868 -1.005 -14.208 1.00 0.00 C ATOM 1242 O THR A 75 3.431 -2.070 -14.064 1.00 0.00 O ATOM 1243 CB THR A 75 3.572 -0.146 -16.453 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.120 0.965 -17.148 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.154 -0.415 -16.955 1.00 0.00 C ATOM 0 H THR A 75 5.560 -0.449 -14.603 1.00 0.00 H new ATOM 0 HA THR A 75 2.971 1.072 -14.772 1.00 0.00 H new ATOM 0 HB THR A 75 4.188 -1.028 -16.630 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.143 0.771 -18.108 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.181 -0.632 -18.023 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.735 -1.268 -16.422 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.533 0.463 -16.779 1.00 0.00 H new ATOM 1253 N LEU A 76 1.663 -0.804 -13.735 1.00 0.00 N ATOM 1254 CA LEU A 76 0.945 -1.890 -12.994 1.00 0.00 C ATOM 1255 C LEU A 76 -0.337 -2.274 -13.742 1.00 0.00 C ATOM 1256 O LEU A 76 -0.786 -1.569 -14.613 1.00 0.00 O ATOM 1257 CB LEU A 76 0.570 -1.393 -11.600 1.00 0.00 C ATOM 1258 CG LEU A 76 1.388 -2.137 -10.548 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.699 -1.190 -9.395 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.578 -3.319 -10.017 1.00 0.00 C ATOM 0 H LEU A 76 1.143 0.068 -13.830 1.00 0.00 H new ATOM 0 HA LEU A 76 1.599 -2.759 -12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.753 -0.321 -11.525 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.494 -1.548 -11.423 1.00 0.00 H new ATOM 0 HG LEU A 76 2.315 -2.498 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.283 -1.716 -8.640 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.269 -0.339 -9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.767 -0.837 -8.952 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.161 -3.851 -9.266 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.346 -2.955 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.340 -3.995 -10.838 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.936 -3.385 -13.406 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.200 -3.784 -14.100 1.00 0.00 C ATOM 1274 C PHE A 77 -3.323 -3.948 -13.063 1.00 0.00 C ATOM 1275 O PHE A 77 -3.090 -4.353 -11.946 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.988 -5.108 -14.838 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.020 -4.906 -15.978 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -1.100 -3.755 -16.772 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.041 -5.871 -16.243 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -0.203 -3.571 -17.831 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.857 -5.687 -17.302 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.776 -4.537 -18.095 1.00 0.00 C ATOM 0 H PHE A 77 -0.610 -4.031 -12.687 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.477 -3.012 -14.818 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.603 -5.861 -14.150 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.940 -5.480 -15.218 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.854 -3.009 -16.567 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.022 -6.758 -15.630 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.266 -2.684 -18.444 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.611 -6.432 -17.506 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.469 -4.394 -18.911 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.544 -3.641 -13.418 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.664 -3.791 -12.439 1.00 0.00 C ATOM 1294 C LEU A 78 -6.170 -5.235 -12.487 1.00 0.00 C ATOM 1295 O LEU A 78 -6.326 -5.806 -13.549 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.798 -2.833 -12.818 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.329 -2.125 -11.568 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.381 -0.619 -11.823 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.741 -2.623 -11.252 1.00 0.00 C ATOM 0 H LEU A 78 -4.814 -3.295 -14.339 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.317 -3.556 -11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.438 -2.097 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.604 -3.384 -13.303 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.669 -2.339 -10.728 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.759 -0.112 -10.935 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.380 -0.254 -12.051 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.042 -0.415 -12.665 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.115 -2.117 -10.362 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.399 -2.409 -12.094 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.716 -3.698 -11.074 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.419 -5.842 -11.355 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.901 -7.254 -11.373 1.00 0.00 C ATOM 1313 C GLU A 79 -7.873 -7.490 -10.217 1.00 0.00 C ATOM 1314 O GLU A 79 -7.794 -6.853 -9.186 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.707 -8.200 -11.237 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.570 -9.035 -12.512 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.128 -9.526 -12.649 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.682 -10.248 -11.772 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -3.493 -9.172 -13.630 1.00 0.00 O ATOM 0 H GLU A 79 -6.311 -5.426 -10.430 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.415 -7.445 -12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.795 -7.629 -11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.843 -8.853 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.253 -9.884 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.846 -8.438 -13.381 1.00 0.00 H new