USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 50 THR OG1 : rot 74:sc= -0.727! USER MOD Set 1.2: A 51 GLN : amide:sc= 1.06 K(o=0.33,f=1.5) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= -0.0989 (180deg=-0.46) USER MOD Single : A 11 HIS : no HE2:sc= -0.0155 X(o=-0.016,f=-0.32) USER MOD Single : A 12 THR OG1 : rot 164:sc= -12.5! USER MOD Single : A 14 ASN : amide:sc= -1.27 K(o=-1.3,f=0.67) USER MOD Single : A 15 SER OG : rot 160:sc= -0.384 USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.86! USER MOD Single : A 18 ASN : amide:sc= -0.326 K(o=-0.33,f=-2.8!) USER MOD Single : A 21 LYS NZ :NH3+ 157:sc=-0.00544 (180deg=-0.0783) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 153:sc= -1.43! USER MOD Single : A 29 TYR OH : rot 30:sc= -1.17 USER MOD Single : A 31 ASN : amide:sc= -1.94! C(o=-1.9!,f=-8.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -8.87! C(o=-8.9!,f=-16!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0755 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 39:sc= 0.088 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 8.258 -10.072 0.761 1.00 0.00 N ATOM 33 CA VAL A 3 6.777 -9.910 0.731 1.00 0.00 C ATOM 34 C VAL A 3 6.248 -10.083 2.157 1.00 0.00 C ATOM 35 O VAL A 3 5.234 -9.529 2.530 1.00 0.00 O ATOM 36 CB VAL A 3 6.150 -10.973 -0.177 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.787 -10.483 -0.668 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.060 -11.228 -1.382 1.00 0.00 C ATOM 0 HA VAL A 3 6.520 -8.924 0.344 1.00 0.00 H new ATOM 0 HB VAL A 3 6.027 -11.899 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.340 -11.238 -1.314 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.135 -10.305 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.913 -9.556 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.610 -11.985 -2.024 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.187 -10.303 -1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.032 -11.578 -1.036 1.00 0.00 H new ATOM 48 N GLU A 4 6.939 -10.850 2.954 1.00 0.00 N ATOM 49 CA GLU A 4 6.494 -11.071 4.358 1.00 0.00 C ATOM 50 C GLU A 4 6.506 -9.744 5.120 1.00 0.00 C ATOM 51 O GLU A 4 5.592 -9.438 5.860 1.00 0.00 O ATOM 52 CB GLU A 4 7.446 -12.056 5.039 1.00 0.00 C ATOM 53 CG GLU A 4 6.733 -12.732 6.211 1.00 0.00 C ATOM 54 CD GLU A 4 6.243 -14.115 5.779 1.00 0.00 C ATOM 55 OE1 GLU A 4 7.077 -14.936 5.433 1.00 0.00 O ATOM 56 OE2 GLU A 4 5.044 -14.330 5.803 1.00 0.00 O ATOM 0 H GLU A 4 7.797 -11.335 2.692 1.00 0.00 H new ATOM 0 HA GLU A 4 5.482 -11.476 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.782 -12.806 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.334 -11.533 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.411 -12.823 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.891 -12.122 6.539 1.00 0.00 H new ATOM 63 N SER A 5 7.533 -8.955 4.953 1.00 0.00 N ATOM 64 CA SER A 5 7.599 -7.653 5.673 1.00 0.00 C ATOM 65 C SER A 5 6.710 -6.632 4.967 1.00 0.00 C ATOM 66 O SER A 5 5.917 -5.954 5.590 1.00 0.00 O ATOM 67 CB SER A 5 9.042 -7.146 5.695 1.00 0.00 C ATOM 68 OG SER A 5 9.756 -7.804 6.734 1.00 0.00 O ATOM 0 H SER A 5 8.329 -9.157 4.348 1.00 0.00 H new ATOM 0 HA SER A 5 7.251 -7.791 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.520 -7.334 4.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.058 -6.068 5.853 1.00 0.00 H new ATOM 0 HG SER A 5 10.682 -7.482 6.749 1.00 0.00 H new ATOM 74 N CYS A 6 6.828 -6.510 3.673 1.00 0.00 N ATOM 75 CA CYS A 6 5.968 -5.525 2.953 1.00 0.00 C ATOM 76 C CYS A 6 4.512 -5.777 3.337 1.00 0.00 C ATOM 77 O CYS A 6 3.672 -4.905 3.236 1.00 0.00 O ATOM 78 CB CYS A 6 6.137 -5.678 1.439 1.00 0.00 C ATOM 79 SG CYS A 6 7.824 -5.229 0.962 1.00 0.00 S ATOM 0 H CYS A 6 7.473 -7.041 3.088 1.00 0.00 H new ATOM 0 HA CYS A 6 6.260 -4.513 3.232 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.927 -6.706 1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.421 -5.043 0.918 1.00 0.00 H new ATOM 84 N LEU A 7 4.209 -6.962 3.791 1.00 0.00 N ATOM 85 CA LEU A 7 2.813 -7.265 4.201 1.00 0.00 C ATOM 86 C LEU A 7 2.719 -7.151 5.725 1.00 0.00 C ATOM 87 O LEU A 7 1.682 -6.839 6.275 1.00 0.00 O ATOM 88 CB LEU A 7 2.447 -8.677 3.762 1.00 0.00 C ATOM 89 CG LEU A 7 2.681 -8.819 2.255 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.758 -10.302 1.890 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.525 -8.168 1.493 1.00 0.00 C ATOM 0 H LEU A 7 4.869 -7.732 3.895 1.00 0.00 H new ATOM 0 HA LEU A 7 2.123 -6.563 3.734 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.049 -9.406 4.305 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.404 -8.885 4.000 1.00 0.00 H new ATOM 0 HG LEU A 7 3.616 -8.327 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.924 -10.405 0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.582 -10.768 2.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.823 -10.792 2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.693 -8.270 0.421 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.590 -8.659 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.468 -7.111 1.752 1.00 0.00 H new ATOM 103 N ALA A 8 3.815 -7.366 6.405 1.00 0.00 N ATOM 104 CA ALA A 8 3.816 -7.231 7.892 1.00 0.00 C ATOM 105 C ALA A 8 3.529 -5.769 8.225 1.00 0.00 C ATOM 106 O ALA A 8 3.203 -5.415 9.340 1.00 0.00 O ATOM 107 CB ALA A 8 5.187 -7.624 8.446 1.00 0.00 C ATOM 0 H ALA A 8 4.711 -7.630 5.994 1.00 0.00 H new ATOM 0 HA ALA A 8 3.062 -7.882 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.183 -7.524 9.531 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.405 -8.658 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.951 -6.971 8.024 1.00 0.00 H new ATOM 113 N LYS A 9 3.643 -4.930 7.232 1.00 0.00 N ATOM 114 CA LYS A 9 3.376 -3.480 7.388 1.00 0.00 C ATOM 115 C LYS A 9 2.030 -3.296 8.127 1.00 0.00 C ATOM 116 O LYS A 9 1.409 -4.272 8.496 1.00 0.00 O ATOM 117 CB LYS A 9 3.340 -2.922 5.959 1.00 0.00 C ATOM 118 CG LYS A 9 4.741 -3.042 5.351 1.00 0.00 C ATOM 119 CD LYS A 9 5.074 -1.772 4.568 1.00 0.00 C ATOM 120 CE LYS A 9 6.593 -1.621 4.453 1.00 0.00 C ATOM 121 NZ LYS A 9 6.952 -0.176 4.511 1.00 0.00 N ATOM 0 H LYS A 9 3.920 -5.204 6.289 1.00 0.00 H new ATOM 0 HA LYS A 9 4.129 -2.957 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.618 -3.473 5.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.020 -1.880 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.478 -3.198 6.139 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.789 -3.910 4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.627 -1.818 3.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.649 -0.902 5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.086 -2.162 5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.943 -2.057 3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.966 -0.078 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.745 0.270 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.397 0.290 5.257 1.00 0.00 H new ATOM 135 N PRO A 10 1.605 -2.065 8.338 1.00 0.00 N ATOM 136 CA PRO A 10 0.342 -1.795 9.048 1.00 0.00 C ATOM 137 C PRO A 10 -0.842 -2.125 8.140 1.00 0.00 C ATOM 138 O PRO A 10 -1.988 -2.043 8.534 1.00 0.00 O ATOM 139 CB PRO A 10 0.421 -0.305 9.391 1.00 0.00 C ATOM 140 CG PRO A 10 1.446 0.313 8.414 1.00 0.00 C ATOM 141 CD PRO A 10 2.303 -0.850 7.879 1.00 0.00 C ATOM 0 HA PRO A 10 0.201 -2.399 9.944 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.554 0.171 9.283 1.00 0.00 H new ATOM 0 HB3 PRO A 10 0.734 -0.160 10.425 1.00 0.00 H new ATOM 0 HG2 PRO A 10 0.940 0.829 7.598 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.068 1.051 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.377 -0.821 6.792 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.320 -0.805 8.269 1.00 0.00 H new ATOM 149 N HIS A 11 -0.556 -2.535 6.937 1.00 0.00 N ATOM 150 CA HIS A 11 -1.626 -2.927 5.987 1.00 0.00 C ATOM 151 C HIS A 11 -2.424 -1.731 5.491 1.00 0.00 C ATOM 152 O HIS A 11 -3.517 -1.493 5.953 1.00 0.00 O ATOM 153 CB HIS A 11 -2.593 -3.900 6.657 1.00 0.00 C ATOM 154 CG HIS A 11 -2.377 -5.281 6.102 1.00 0.00 C ATOM 155 ND1 HIS A 11 -1.145 -5.916 6.155 1.00 0.00 N ATOM 156 CD2 HIS A 11 -3.224 -6.160 5.474 1.00 0.00 C ATOM 157 CE1 HIS A 11 -1.285 -7.122 5.575 1.00 0.00 C ATOM 158 NE2 HIS A 11 -2.533 -7.322 5.141 1.00 0.00 N ATOM 0 H HIS A 11 0.392 -2.615 6.568 1.00 0.00 H new ATOM 0 HA HIS A 11 -1.132 -3.394 5.135 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.436 -3.901 7.736 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.622 -3.584 6.485 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -0.289 -5.538 6.560 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.269 -5.978 5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.486 -7.841 5.473 1.00 0.00 H new ATOM 166 N THR A 12 -1.917 -1.032 4.506 1.00 0.00 N ATOM 167 CA THR A 12 -2.684 0.099 3.898 1.00 0.00 C ATOM 168 C THR A 12 -2.461 1.445 4.600 1.00 0.00 C ATOM 169 O THR A 12 -2.051 2.395 3.966 1.00 0.00 O ATOM 170 CB THR A 12 -4.178 -0.288 3.858 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.725 -0.022 2.583 1.00 0.00 O ATOM 172 CG2 THR A 12 -4.992 0.464 4.919 1.00 0.00 C ATOM 0 H THR A 12 -0.999 -1.197 4.094 1.00 0.00 H new ATOM 0 HA THR A 12 -2.310 0.255 2.886 1.00 0.00 H new ATOM 0 HB THR A 12 -4.235 -1.356 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.577 -0.497 2.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.038 0.163 4.857 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.605 0.227 5.910 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.913 1.537 4.745 1.00 0.00 H new ATOM 180 N GLU A 13 -2.753 1.569 5.864 1.00 0.00 N ATOM 181 CA GLU A 13 -2.572 2.901 6.512 1.00 0.00 C ATOM 182 C GLU A 13 -1.250 3.525 6.055 1.00 0.00 C ATOM 183 O GLU A 13 -0.187 3.214 6.555 1.00 0.00 O ATOM 184 CB GLU A 13 -2.584 2.763 8.035 1.00 0.00 C ATOM 185 CG GLU A 13 -2.530 4.156 8.667 1.00 0.00 C ATOM 186 CD GLU A 13 -1.332 4.242 9.614 1.00 0.00 C ATOM 187 OE1 GLU A 13 -0.889 3.202 10.073 1.00 0.00 O ATOM 188 OE2 GLU A 13 -0.878 5.346 9.865 1.00 0.00 O ATOM 0 H GLU A 13 -3.102 0.824 6.467 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.398 3.548 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.484 2.239 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.733 2.168 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.448 4.916 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.453 4.355 9.212 1.00 0.00 H new ATOM 195 N ASN A 14 -1.324 4.399 5.089 1.00 0.00 N ATOM 196 CA ASN A 14 -0.103 5.059 4.552 1.00 0.00 C ATOM 197 C ASN A 14 -0.483 5.775 3.257 1.00 0.00 C ATOM 198 O ASN A 14 -1.629 6.135 3.053 1.00 0.00 O ATOM 199 CB ASN A 14 0.967 4.003 4.260 1.00 0.00 C ATOM 200 CG ASN A 14 2.176 4.236 5.168 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.092 4.060 6.368 1.00 0.00 O ATOM 202 ND2 ASN A 14 3.306 4.626 4.644 1.00 0.00 N ATOM 0 H ASN A 14 -2.195 4.688 4.643 1.00 0.00 H new ATOM 0 HA ASN A 14 0.293 5.770 5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.562 3.005 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.269 4.056 3.214 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.118 4.783 5.241 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.377 4.774 3.637 1.00 0.00 H new ATOM 209 N SER A 15 0.449 5.985 2.372 1.00 0.00 N ATOM 210 CA SER A 15 0.094 6.670 1.107 1.00 0.00 C ATOM 211 C SER A 15 1.328 6.826 0.228 1.00 0.00 C ATOM 212 O SER A 15 2.388 6.310 0.525 1.00 0.00 O ATOM 213 CB SER A 15 -0.473 8.047 1.433 1.00 0.00 C ATOM 214 OG SER A 15 0.384 8.698 2.363 1.00 0.00 O ATOM 0 H SER A 15 1.428 5.715 2.470 1.00 0.00 H new ATOM 0 HA SER A 15 -0.647 6.076 0.571 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.561 8.642 0.524 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.476 7.951 1.850 1.00 0.00 H new ATOM 0 HG SER A 15 0.223 9.664 2.336 1.00 0.00 H new ATOM 220 N PHE A 16 1.197 7.534 -0.858 1.00 0.00 N ATOM 221 CA PHE A 16 2.359 7.722 -1.762 1.00 0.00 C ATOM 222 C PHE A 16 1.968 8.682 -2.891 1.00 0.00 C ATOM 223 O PHE A 16 0.818 8.766 -3.270 1.00 0.00 O ATOM 224 CB PHE A 16 2.757 6.369 -2.351 1.00 0.00 C ATOM 225 CG PHE A 16 4.107 6.485 -3.011 1.00 0.00 C ATOM 226 CD1 PHE A 16 4.211 7.053 -4.284 1.00 0.00 C ATOM 227 CD2 PHE A 16 5.252 6.027 -2.351 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.462 7.165 -4.900 1.00 0.00 C ATOM 229 CE2 PHE A 16 6.505 6.137 -2.967 1.00 0.00 C ATOM 230 CZ PHE A 16 6.609 6.706 -4.242 1.00 0.00 C ATOM 0 H PHE A 16 0.335 7.990 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 16 3.200 8.139 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.788 5.614 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.012 6.043 -3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.325 7.405 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.170 5.589 -1.367 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.543 7.605 -5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.390 5.783 -2.459 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.575 6.791 -4.718 1.00 0.00 H new ATOM 240 N THR A 17 2.909 9.409 -3.434 1.00 0.00 N ATOM 241 CA THR A 17 2.565 10.356 -4.538 1.00 0.00 C ATOM 242 C THR A 17 3.083 9.808 -5.867 1.00 0.00 C ATOM 243 O THR A 17 4.012 9.029 -5.909 1.00 0.00 O ATOM 244 CB THR A 17 3.182 11.732 -4.266 1.00 0.00 C ATOM 245 OG1 THR A 17 3.553 12.334 -5.499 1.00 0.00 O ATOM 246 CG2 THR A 17 4.419 11.583 -3.379 1.00 0.00 C ATOM 0 H THR A 17 3.893 9.390 -3.165 1.00 0.00 H new ATOM 0 HA THR A 17 1.481 10.461 -4.590 1.00 0.00 H new ATOM 0 HB THR A 17 2.451 12.359 -3.756 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.947 13.215 -5.328 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.852 12.565 -3.190 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.135 11.124 -2.432 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.153 10.953 -3.882 1.00 0.00 H new ATOM 254 N ASN A 18 2.473 10.193 -6.954 1.00 0.00 N ATOM 255 CA ASN A 18 2.911 9.673 -8.278 1.00 0.00 C ATOM 256 C ASN A 18 2.387 8.244 -8.426 1.00 0.00 C ATOM 257 O ASN A 18 2.868 7.465 -9.227 1.00 0.00 O ATOM 258 CB ASN A 18 4.439 9.673 -8.356 1.00 0.00 C ATOM 259 CG ASN A 18 4.877 10.022 -9.779 1.00 0.00 C ATOM 260 OD1 ASN A 18 4.053 10.162 -10.662 1.00 0.00 O ATOM 261 ND2 ASN A 18 6.146 10.169 -10.043 1.00 0.00 N ATOM 0 H ASN A 18 1.690 10.846 -6.982 1.00 0.00 H new ATOM 0 HA ASN A 18 2.521 10.303 -9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.850 10.395 -7.650 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.828 8.695 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.446 10.401 -10.990 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.838 10.052 -9.303 1.00 0.00 H new ATOM 268 N VAL A 19 1.402 7.900 -7.641 1.00 0.00 N ATOM 269 CA VAL A 19 0.823 6.532 -7.696 1.00 0.00 C ATOM 270 C VAL A 19 0.436 6.173 -9.129 1.00 0.00 C ATOM 271 O VAL A 19 0.206 7.031 -9.958 1.00 0.00 O ATOM 272 CB VAL A 19 -0.429 6.495 -6.822 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.107 5.131 -6.954 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.039 6.737 -5.363 1.00 0.00 C ATOM 0 H VAL A 19 0.970 8.519 -6.955 1.00 0.00 H new ATOM 0 HA VAL A 19 1.564 5.816 -7.339 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.121 7.273 -7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.000 5.107 -6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.387 4.963 -7.994 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.418 4.350 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.932 6.711 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.654 5.961 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.439 7.712 -5.271 1.00 0.00 H new ATOM 284 N TRP A 20 0.340 4.904 -9.418 1.00 0.00 N ATOM 285 CA TRP A 20 -0.057 4.481 -10.786 1.00 0.00 C ATOM 286 C TRP A 20 -1.294 3.580 -10.675 1.00 0.00 C ATOM 287 O TRP A 20 -1.803 3.336 -9.597 1.00 0.00 O ATOM 288 CB TRP A 20 1.121 3.744 -11.470 1.00 0.00 C ATOM 289 CG TRP A 20 0.910 2.257 -11.492 1.00 0.00 C ATOM 290 CD1 TRP A 20 0.271 1.578 -12.474 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.335 1.259 -10.518 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.258 0.232 -12.156 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.909 -0.016 -10.965 1.00 0.00 C ATOM 294 CE3 TRP A 20 2.037 1.334 -9.302 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.171 -1.172 -10.232 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.304 0.170 -8.562 1.00 0.00 C ATOM 297 CH2 TRP A 20 1.871 -1.081 -9.029 1.00 0.00 C ATOM 0 H TRP A 20 0.520 4.143 -8.763 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.304 5.347 -11.400 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.236 4.110 -12.490 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.048 3.972 -10.943 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.159 2.017 -13.362 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.179 -0.488 -12.731 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.373 2.292 -8.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.834 -2.132 -10.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.845 0.238 -7.630 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.080 -1.973 -8.457 1.00 0.00 H new ATOM 308 N LYS A 21 -1.770 3.078 -11.775 1.00 0.00 N ATOM 309 CA LYS A 21 -2.960 2.186 -11.737 1.00 0.00 C ATOM 310 C LYS A 21 -2.772 1.086 -12.776 1.00 0.00 C ATOM 311 O LYS A 21 -2.666 1.349 -13.958 1.00 0.00 O ATOM 312 CB LYS A 21 -4.222 2.985 -12.060 1.00 0.00 C ATOM 313 CG LYS A 21 -5.437 2.059 -11.993 1.00 0.00 C ATOM 314 CD LYS A 21 -6.452 2.464 -13.064 1.00 0.00 C ATOM 315 CE LYS A 21 -5.968 1.987 -14.434 1.00 0.00 C ATOM 316 NZ LYS A 21 -5.735 3.165 -15.317 1.00 0.00 N ATOM 0 H LYS A 21 -1.385 3.247 -12.704 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.065 1.752 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.337 3.807 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.142 3.428 -13.053 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.127 1.025 -12.144 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.894 2.114 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.426 2.029 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.579 3.547 -13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.048 1.412 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.708 1.324 -14.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.065 2.908 -16.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.636 3.463 -15.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.341 3.947 -14.756 1.00 0.00 H new ATOM 330 N ASP A 22 -2.710 -0.142 -12.352 1.00 0.00 N ATOM 331 CA ASP A 22 -2.507 -1.242 -13.321 1.00 0.00 C ATOM 332 C ASP A 22 -3.841 -1.890 -13.676 1.00 0.00 C ATOM 333 O ASP A 22 -4.608 -2.289 -12.808 1.00 0.00 O ATOM 334 CB ASP A 22 -1.592 -2.298 -12.704 1.00 0.00 C ATOM 335 CG ASP A 22 -0.454 -2.615 -13.677 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.748 -3.040 -14.783 1.00 0.00 O ATOM 337 OD2 ASP A 22 0.691 -2.428 -13.299 1.00 0.00 O ATOM 0 H ASP A 22 -2.791 -0.429 -11.376 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.055 -0.834 -14.225 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.187 -1.937 -11.759 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.159 -3.202 -12.483 1.00 0.00 H new ATOM 342 N ASP A 23 -4.101 -2.032 -14.948 1.00 0.00 N ATOM 343 CA ASP A 23 -5.351 -2.700 -15.386 1.00 0.00 C ATOM 344 C ASP A 23 -5.113 -4.205 -15.273 1.00 0.00 C ATOM 345 O ASP A 23 -6.032 -4.997 -15.261 1.00 0.00 O ATOM 346 CB ASP A 23 -5.659 -2.334 -16.840 1.00 0.00 C ATOM 347 CG ASP A 23 -7.171 -2.191 -17.022 1.00 0.00 C ATOM 348 OD1 ASP A 23 -7.890 -2.475 -16.078 1.00 0.00 O ATOM 349 OD2 ASP A 23 -7.585 -1.801 -18.101 1.00 0.00 O ATOM 0 H ASP A 23 -3.495 -1.711 -15.703 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.195 -2.387 -14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.161 -1.401 -17.105 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.273 -3.103 -17.509 1.00 0.00 H new ATOM 354 N LYS A 24 -3.867 -4.592 -15.171 1.00 0.00 N ATOM 355 CA LYS A 24 -3.523 -6.030 -15.030 1.00 0.00 C ATOM 356 C LYS A 24 -3.744 -6.422 -13.573 1.00 0.00 C ATOM 357 O LYS A 24 -4.459 -7.353 -13.265 1.00 0.00 O ATOM 358 CB LYS A 24 -2.049 -6.226 -15.390 1.00 0.00 C ATOM 359 CG LYS A 24 -1.903 -6.378 -16.906 1.00 0.00 C ATOM 360 CD LYS A 24 -0.418 -6.462 -17.270 1.00 0.00 C ATOM 361 CE LYS A 24 0.088 -7.886 -17.037 1.00 0.00 C ATOM 362 NZ LYS A 24 1.514 -7.982 -17.463 1.00 0.00 N ATOM 0 H LYS A 24 -3.066 -3.960 -15.180 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.140 -6.643 -15.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.464 -5.375 -15.042 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.656 -7.110 -14.887 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.423 -7.275 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.365 -5.531 -17.413 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.272 -6.180 -18.313 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.155 -5.758 -16.666 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.007 -8.149 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.519 -8.596 -17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.859 -8.950 -17.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.591 -7.748 -18.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.088 -7.315 -16.908 1.00 0.00 H new ATOM 376 N THR A 25 -3.141 -5.694 -12.671 1.00 0.00 N ATOM 377 CA THR A 25 -3.323 -5.995 -11.228 1.00 0.00 C ATOM 378 C THR A 25 -4.761 -5.671 -10.854 1.00 0.00 C ATOM 379 O THR A 25 -5.333 -6.261 -9.959 1.00 0.00 O ATOM 380 CB THR A 25 -2.363 -5.139 -10.396 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.666 -3.765 -10.586 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.924 -5.414 -10.836 1.00 0.00 C ATOM 0 H THR A 25 -2.530 -4.903 -12.875 1.00 0.00 H new ATOM 0 HA THR A 25 -3.111 -7.046 -11.031 1.00 0.00 H new ATOM 0 HB THR A 25 -2.473 -5.390 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.390 -3.257 -9.795 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.240 -4.805 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.693 -6.469 -10.686 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.812 -5.164 -11.891 1.00 0.00 H new ATOM 390 N LEU A 26 -5.356 -4.743 -11.550 1.00 0.00 N ATOM 391 CA LEU A 26 -6.770 -4.392 -11.259 1.00 0.00 C ATOM 392 C LEU A 26 -6.859 -3.611 -9.951 1.00 0.00 C ATOM 393 O LEU A 26 -7.528 -4.026 -9.026 1.00 0.00 O ATOM 394 CB LEU A 26 -7.575 -5.685 -11.127 1.00 0.00 C ATOM 395 CG LEU A 26 -8.676 -5.725 -12.188 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.785 -4.737 -11.818 1.00 0.00 C ATOM 397 CD2 LEU A 26 -8.089 -5.346 -13.548 1.00 0.00 C ATOM 0 H LEU A 26 -4.923 -4.214 -12.307 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.166 -3.776 -12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.917 -6.546 -11.241 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.015 -5.750 -10.132 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.091 -6.732 -12.238 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.568 -4.768 -12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.206 -5.009 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.372 -3.730 -11.764 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.874 -5.375 -14.304 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.671 -4.341 -13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.303 -6.052 -13.815 1.00 0.00 H new ATOM 409 N ASP A 27 -6.204 -2.487 -9.848 1.00 0.00 N ATOM 410 CA ASP A 27 -6.300 -1.728 -8.565 1.00 0.00 C ATOM 411 C ASP A 27 -5.267 -0.605 -8.511 1.00 0.00 C ATOM 412 O ASP A 27 -4.363 -0.534 -9.321 1.00 0.00 O ATOM 413 CB ASP A 27 -6.042 -2.691 -7.408 1.00 0.00 C ATOM 414 CG ASP A 27 -7.305 -2.809 -6.551 1.00 0.00 C ATOM 415 OD1 ASP A 27 -7.955 -1.797 -6.348 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.600 -3.908 -6.112 1.00 0.00 O ATOM 0 H ASP A 27 -5.621 -2.069 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.294 -1.287 -8.493 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.758 -3.670 -7.793 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.210 -2.333 -6.801 1.00 0.00 H new ATOM 421 N ARG A 28 -5.382 0.265 -7.537 1.00 0.00 N ATOM 422 CA ARG A 28 -4.392 1.368 -7.407 1.00 0.00 C ATOM 423 C ARG A 28 -3.160 0.806 -6.706 1.00 0.00 C ATOM 424 O ARG A 28 -3.268 -0.075 -5.877 1.00 0.00 O ATOM 425 CB ARG A 28 -4.989 2.499 -6.566 1.00 0.00 C ATOM 426 CG ARG A 28 -5.824 3.418 -7.457 1.00 0.00 C ATOM 427 CD ARG A 28 -4.935 4.525 -8.027 1.00 0.00 C ATOM 428 NE ARG A 28 -5.787 5.549 -8.697 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.889 5.955 -8.128 1.00 0.00 C ATOM 430 NH1 ARG A 28 -6.957 6.046 -6.828 1.00 0.00 N ATOM 431 NH2 ARG A 28 -7.925 6.268 -8.859 1.00 0.00 N ATOM 0 H ARG A 28 -6.118 0.255 -6.831 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.129 1.763 -8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.609 2.085 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.193 3.067 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.274 2.845 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.642 3.854 -6.883 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.353 4.986 -7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.224 4.105 -8.739 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.508 5.932 -9.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.149 5.800 -6.257 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.818 6.363 -6.383 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.873 6.195 -9.875 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.786 6.585 -8.414 1.00 0.00 H new ATOM 445 N TYR A 29 -1.991 1.281 -7.024 1.00 0.00 N ATOM 446 CA TYR A 29 -0.785 0.727 -6.352 1.00 0.00 C ATOM 447 C TYR A 29 0.305 1.792 -6.239 1.00 0.00 C ATOM 448 O TYR A 29 0.571 2.532 -7.167 1.00 0.00 O ATOM 449 CB TYR A 29 -0.259 -0.463 -7.158 1.00 0.00 C ATOM 450 CG TYR A 29 -1.255 -1.597 -7.100 1.00 0.00 C ATOM 451 CD1 TYR A 29 -1.200 -2.528 -6.053 1.00 0.00 C ATOM 452 CD2 TYR A 29 -2.235 -1.721 -8.094 1.00 0.00 C ATOM 453 CE1 TYR A 29 -2.123 -3.580 -6.002 1.00 0.00 C ATOM 454 CE2 TYR A 29 -3.157 -2.774 -8.042 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.100 -3.703 -6.995 1.00 0.00 C ATOM 456 OH TYR A 29 -4.009 -4.741 -6.943 1.00 0.00 O ATOM 0 H TYR A 29 -1.818 2.017 -7.709 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.058 0.403 -5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.090 -0.167 -8.193 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.701 -0.789 -6.759 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.446 -2.434 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.279 -1.004 -8.901 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.080 -4.297 -5.195 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.912 -2.870 -8.809 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.168 -4.990 -6.009 1.00 0.00 H new ATOM 466 N ALA A 30 0.945 1.860 -5.104 1.00 0.00 N ATOM 467 CA ALA A 30 2.032 2.856 -4.911 1.00 0.00 C ATOM 468 C ALA A 30 3.353 2.108 -4.728 1.00 0.00 C ATOM 469 O ALA A 30 3.456 1.199 -3.929 1.00 0.00 O ATOM 470 CB ALA A 30 1.743 3.699 -3.666 1.00 0.00 C ATOM 0 H ALA A 30 0.759 1.263 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 30 2.092 3.513 -5.778 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.541 4.428 -3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.794 4.220 -3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.688 3.050 -2.792 1.00 0.00 H new ATOM 476 N ASN A 31 4.358 2.471 -5.471 1.00 0.00 N ATOM 477 CA ASN A 31 5.664 1.767 -5.349 1.00 0.00 C ATOM 478 C ASN A 31 6.463 2.342 -4.177 1.00 0.00 C ATOM 479 O ASN A 31 7.058 3.396 -4.277 1.00 0.00 O ATOM 480 CB ASN A 31 6.457 1.950 -6.643 1.00 0.00 C ATOM 481 CG ASN A 31 6.741 3.438 -6.861 1.00 0.00 C ATOM 482 OD1 ASN A 31 6.105 4.282 -6.263 1.00 0.00 O ATOM 483 ND2 ASN A 31 7.676 3.796 -7.697 1.00 0.00 N ATOM 0 H ASN A 31 4.333 3.225 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 31 5.485 0.707 -5.171 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.393 1.394 -6.590 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.895 1.549 -7.486 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.873 4.785 -7.849 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.210 3.087 -8.199 1.00 0.00 H new ATOM 490 N TYR A 32 6.492 1.651 -3.069 1.00 0.00 N ATOM 491 CA TYR A 32 7.264 2.155 -1.902 1.00 0.00 C ATOM 492 C TYR A 32 8.706 1.663 -2.015 1.00 0.00 C ATOM 493 O TYR A 32 9.240 1.070 -1.098 1.00 0.00 O ATOM 494 CB TYR A 32 6.645 1.634 -0.604 1.00 0.00 C ATOM 495 CG TYR A 32 7.308 2.310 0.574 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.034 3.654 0.855 1.00 0.00 C ATOM 497 CD2 TYR A 32 8.198 1.593 1.382 1.00 0.00 C ATOM 498 CE1 TYR A 32 7.651 4.281 1.945 1.00 0.00 C ATOM 499 CE2 TYR A 32 8.814 2.219 2.471 1.00 0.00 C ATOM 500 CZ TYR A 32 8.540 3.564 2.753 1.00 0.00 C ATOM 501 OH TYR A 32 9.148 4.182 3.828 1.00 0.00 O ATOM 0 H TYR A 32 6.015 0.761 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 32 7.242 3.245 -1.891 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.573 1.831 -0.595 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.771 0.553 -0.536 1.00 0.00 H new ATOM 0 HD1 TYR A 32 6.347 4.207 0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 32 8.409 0.556 1.165 1.00 0.00 H new ATOM 0 HE1 TYR A 32 7.440 5.318 2.162 1.00 0.00 H new ATOM 0 HE2 TYR A 32 9.501 1.666 3.094 1.00 0.00 H new ATOM 0 HH TYR A 32 9.734 3.543 4.284 1.00 0.00 H new ATOM 511 N GLU A 33 9.329 1.912 -3.142 1.00 0.00 N ATOM 512 CA GLU A 33 10.743 1.479 -3.363 1.00 0.00 C ATOM 513 C GLU A 33 11.045 0.203 -2.575 1.00 0.00 C ATOM 514 O GLU A 33 11.671 0.240 -1.535 1.00 0.00 O ATOM 515 CB GLU A 33 11.690 2.590 -2.908 1.00 0.00 C ATOM 516 CG GLU A 33 13.095 2.319 -3.449 1.00 0.00 C ATOM 517 CD GLU A 33 13.098 2.496 -4.968 1.00 0.00 C ATOM 518 OE1 GLU A 33 12.224 3.188 -5.464 1.00 0.00 O ATOM 519 OE2 GLU A 33 13.973 1.939 -5.609 1.00 0.00 O ATOM 0 H GLU A 33 8.909 2.405 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 33 10.886 1.278 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.332 3.556 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.712 2.640 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.811 3.002 -2.991 1.00 0.00 H new ATOM 0 HG3 GLU A 33 13.408 1.308 -3.189 1.00 0.00 H new ATOM 526 N GLY A 34 10.607 -0.924 -3.059 1.00 0.00 N ATOM 527 CA GLY A 34 10.874 -2.193 -2.330 1.00 0.00 C ATOM 528 C GLY A 34 9.551 -2.890 -2.017 1.00 0.00 C ATOM 529 O GLY A 34 9.413 -4.080 -2.202 1.00 0.00 O ATOM 0 H GLY A 34 10.077 -1.021 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.507 -2.845 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.416 -1.987 -1.407 1.00 0.00 H new ATOM 533 N CYS A 35 8.571 -2.160 -1.551 1.00 0.00 N ATOM 534 CA CYS A 35 7.256 -2.797 -1.234 1.00 0.00 C ATOM 535 C CYS A 35 6.190 -2.274 -2.202 1.00 0.00 C ATOM 536 O CYS A 35 6.427 -1.358 -2.964 1.00 0.00 O ATOM 537 CB CYS A 35 6.847 -2.453 0.203 1.00 0.00 C ATOM 538 SG CYS A 35 7.973 -3.256 1.374 1.00 0.00 S ATOM 0 H CYS A 35 8.622 -1.156 -1.377 1.00 0.00 H new ATOM 0 HA CYS A 35 7.347 -3.878 -1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.868 -1.373 0.348 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.823 -2.780 0.387 1.00 0.00 H new ATOM 543 N LEU A 36 5.012 -2.843 -2.176 1.00 0.00 N ATOM 544 CA LEU A 36 3.939 -2.365 -3.094 1.00 0.00 C ATOM 545 C LEU A 36 2.602 -2.309 -2.363 1.00 0.00 C ATOM 546 O LEU A 36 2.022 -3.330 -2.035 1.00 0.00 O ATOM 547 CB LEU A 36 3.783 -3.309 -4.284 1.00 0.00 C ATOM 548 CG LEU A 36 2.591 -2.842 -5.124 1.00 0.00 C ATOM 549 CD1 LEU A 36 2.963 -1.544 -5.840 1.00 0.00 C ATOM 550 CD2 LEU A 36 2.226 -3.912 -6.156 1.00 0.00 C ATOM 0 H LEU A 36 4.749 -3.614 -1.562 1.00 0.00 H new ATOM 0 HA LEU A 36 4.224 -1.372 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.692 -3.313 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.625 -4.331 -3.938 1.00 0.00 H new ATOM 0 HG LEU A 36 1.733 -2.673 -4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.119 -1.205 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.214 -0.781 -5.103 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.822 -1.719 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.377 -3.571 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.078 -4.091 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.962 -4.837 -5.643 1.00 0.00 H new ATOM 562 N TRP A 37 2.094 -1.126 -2.148 1.00 0.00 N ATOM 563 CA TRP A 37 0.774 -0.983 -1.480 1.00 0.00 C ATOM 564 C TRP A 37 -0.304 -0.899 -2.564 1.00 0.00 C ATOM 565 O TRP A 37 -0.002 -0.861 -3.741 1.00 0.00 O ATOM 566 CB TRP A 37 0.748 0.301 -0.649 1.00 0.00 C ATOM 567 CG TRP A 37 1.955 0.386 0.229 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.226 0.576 -0.195 1.00 0.00 C ATOM 569 CD2 TRP A 37 2.014 0.301 1.679 1.00 0.00 C ATOM 570 NE1 TRP A 37 4.062 0.617 0.908 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.360 0.450 2.086 1.00 0.00 C ATOM 572 CE3 TRP A 37 1.036 0.111 2.671 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.720 0.413 3.433 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.394 0.073 4.025 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.734 0.223 4.406 1.00 0.00 C ATOM 0 H TRP A 37 2.542 -0.248 -2.409 1.00 0.00 H new ATOM 0 HA TRP A 37 0.596 -1.835 -0.824 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.711 1.167 -1.310 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.155 0.327 -0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.537 0.679 -1.224 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.072 0.754 0.857 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.001 -0.007 2.387 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.754 0.530 3.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.634 -0.073 4.778 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.005 0.192 5.451 1.00 0.00 H new ATOM 586 N ASN A 38 -1.556 -0.861 -2.195 1.00 0.00 N ATOM 587 CA ASN A 38 -2.621 -0.771 -3.234 1.00 0.00 C ATOM 588 C ASN A 38 -3.852 -0.048 -2.679 1.00 0.00 C ATOM 589 O ASN A 38 -4.402 -0.422 -1.656 1.00 0.00 O ATOM 590 CB ASN A 38 -3.014 -2.179 -3.700 1.00 0.00 C ATOM 591 CG ASN A 38 -4.023 -2.796 -2.727 1.00 0.00 C ATOM 592 OD1 ASN A 38 -3.658 -3.541 -1.841 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.289 -2.509 -2.856 1.00 0.00 N ATOM 0 H ASN A 38 -1.885 -0.888 -1.230 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.234 -0.204 -4.081 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.444 -2.132 -4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.127 -2.810 -3.764 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.971 -2.911 -2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.597 -1.883 -3.600 1.00 0.00 H new ATOM 600 N ALA A 39 -4.300 0.972 -3.365 1.00 0.00 N ATOM 601 CA ALA A 39 -5.504 1.715 -2.906 1.00 0.00 C ATOM 602 C ALA A 39 -6.753 0.998 -3.421 1.00 0.00 C ATOM 603 O ALA A 39 -6.826 0.602 -4.575 1.00 0.00 O ATOM 604 CB ALA A 39 -5.469 3.144 -3.453 1.00 0.00 C ATOM 0 H ALA A 39 -3.880 1.321 -4.226 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.521 1.753 -1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.353 3.685 -3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.574 3.650 -3.092 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.456 3.116 -4.543 1.00 0.00 H new ATOM 610 N THR A 40 -7.729 0.819 -2.570 1.00 0.00 N ATOM 611 CA THR A 40 -8.973 0.117 -2.989 1.00 0.00 C ATOM 612 C THR A 40 -10.196 0.821 -2.389 1.00 0.00 C ATOM 613 O THR A 40 -11.204 0.997 -3.044 1.00 0.00 O ATOM 614 CB THR A 40 -8.923 -1.329 -2.485 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.188 -1.943 -2.684 1.00 0.00 O ATOM 616 CG2 THR A 40 -8.576 -1.343 -0.993 1.00 0.00 C ATOM 0 H THR A 40 -7.716 1.131 -1.599 1.00 0.00 H new ATOM 0 HA THR A 40 -9.050 0.131 -4.076 1.00 0.00 H new ATOM 0 HB THR A 40 -8.161 -1.878 -3.037 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.156 -2.869 -2.363 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.541 -2.373 -0.637 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.604 -0.873 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.336 -0.793 -0.438 1.00 0.00 H new ATOM 624 N GLY A 41 -10.118 1.217 -1.147 1.00 0.00 N ATOM 625 CA GLY A 41 -11.282 1.898 -0.506 1.00 0.00 C ATOM 626 C GLY A 41 -11.151 3.415 -0.651 1.00 0.00 C ATOM 627 O GLY A 41 -10.631 3.915 -1.628 1.00 0.00 O ATOM 0 H GLY A 41 -9.300 1.099 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.210 1.560 -0.967 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.334 1.629 0.549 1.00 0.00 H new ATOM 631 N VAL A 42 -11.625 4.152 0.318 1.00 0.00 N ATOM 632 CA VAL A 42 -11.538 5.639 0.243 1.00 0.00 C ATOM 633 C VAL A 42 -10.120 6.053 -0.154 1.00 0.00 C ATOM 634 O VAL A 42 -9.147 5.514 0.334 1.00 0.00 O ATOM 635 CB VAL A 42 -11.883 6.244 1.606 1.00 0.00 C ATOM 636 CG1 VAL A 42 -10.846 5.804 2.642 1.00 0.00 C ATOM 637 CG2 VAL A 42 -11.879 7.772 1.500 1.00 0.00 C ATOM 0 H VAL A 42 -12.070 3.787 1.160 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.244 6.002 -0.504 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.871 5.901 1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.094 6.236 3.611 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.847 4.717 2.719 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.857 6.145 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.125 8.205 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.891 8.113 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.619 8.088 0.764 1.00 0.00 H new ATOM 647 N VAL A 43 -9.998 7.007 -1.034 1.00 0.00 N ATOM 648 CA VAL A 43 -8.646 7.457 -1.463 1.00 0.00 C ATOM 649 C VAL A 43 -8.740 8.868 -2.048 1.00 0.00 C ATOM 650 O VAL A 43 -9.634 9.175 -2.811 1.00 0.00 O ATOM 651 CB VAL A 43 -8.104 6.498 -2.525 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.879 7.117 -3.199 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.707 5.177 -1.865 1.00 0.00 C ATOM 0 H VAL A 43 -10.778 7.495 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.975 7.465 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.876 6.315 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.495 6.432 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.160 8.058 -3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.107 7.303 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.321 4.494 -2.622 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.937 5.362 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.580 4.733 -1.386 1.00 0.00 H new ATOM 663 N VAL A 44 -7.822 9.728 -1.701 1.00 0.00 N ATOM 664 CA VAL A 44 -7.859 11.114 -2.241 1.00 0.00 C ATOM 665 C VAL A 44 -6.673 11.316 -3.186 1.00 0.00 C ATOM 666 O VAL A 44 -5.541 11.440 -2.756 1.00 0.00 O ATOM 667 CB VAL A 44 -7.776 12.116 -1.085 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.396 12.044 -0.431 1.00 0.00 C ATOM 669 CG2 VAL A 44 -8.013 13.529 -1.620 1.00 0.00 C ATOM 0 H VAL A 44 -7.048 9.530 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.790 11.272 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.536 11.872 -0.343 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.345 12.759 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.227 11.038 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.631 12.283 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.954 14.244 -0.799 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.254 13.768 -2.364 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -9.000 13.584 -2.079 1.00 0.00 H new ATOM 679 N CYS A 45 -6.920 11.341 -4.474 1.00 0.00 N ATOM 680 CA CYS A 45 -5.799 11.526 -5.438 1.00 0.00 C ATOM 681 C CYS A 45 -6.002 12.814 -6.241 1.00 0.00 C ATOM 682 O CYS A 45 -7.051 13.049 -6.808 1.00 0.00 O ATOM 683 CB CYS A 45 -5.730 10.332 -6.397 1.00 0.00 C ATOM 684 SG CYS A 45 -3.996 9.937 -6.738 1.00 0.00 S ATOM 0 H CYS A 45 -7.844 11.242 -4.894 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.866 11.595 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.232 9.469 -5.959 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.251 10.566 -7.325 1.00 0.00 H new ATOM 689 N THR A 46 -4.997 13.647 -6.292 1.00 0.00 N ATOM 690 CA THR A 46 -5.104 14.919 -7.056 1.00 0.00 C ATOM 691 C THR A 46 -4.189 14.847 -8.280 1.00 0.00 C ATOM 692 O THR A 46 -3.319 13.993 -8.371 1.00 0.00 O ATOM 693 CB THR A 46 -4.668 16.085 -6.166 1.00 0.00 C ATOM 694 OG1 THR A 46 -4.812 17.305 -6.882 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.206 15.895 -5.762 1.00 0.00 C ATOM 0 H THR A 46 -4.099 13.497 -5.832 1.00 0.00 H new ATOM 0 HA THR A 46 -6.135 15.070 -7.375 1.00 0.00 H new ATOM 0 HB THR A 46 -5.290 16.116 -5.271 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.535 18.053 -6.313 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.893 16.724 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.099 14.959 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.582 15.866 -6.656 1.00 0.00 H new ATOM 703 N GLY A 47 -4.384 15.734 -9.223 1.00 0.00 N ATOM 704 CA GLY A 47 -3.542 15.723 -10.453 1.00 0.00 C ATOM 705 C GLY A 47 -3.897 14.483 -11.268 1.00 0.00 C ATOM 706 O GLY A 47 -3.175 13.505 -11.272 1.00 0.00 O ATOM 0 H GLY A 47 -5.093 16.467 -9.192 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.716 16.625 -11.040 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.485 15.713 -10.189 1.00 0.00 H new ATOM 710 N ASP A 48 -5.020 14.497 -11.936 1.00 0.00 N ATOM 711 CA ASP A 48 -5.419 13.295 -12.715 1.00 0.00 C ATOM 712 C ASP A 48 -5.428 12.107 -11.764 1.00 0.00 C ATOM 713 O ASP A 48 -5.335 10.965 -12.169 1.00 0.00 O ATOM 714 CB ASP A 48 -4.398 13.031 -13.812 1.00 0.00 C ATOM 715 CG ASP A 48 -4.913 13.584 -15.143 1.00 0.00 C ATOM 716 OD1 ASP A 48 -6.017 14.104 -15.159 1.00 0.00 O ATOM 717 OD2 ASP A 48 -4.194 13.479 -16.124 1.00 0.00 O ATOM 0 H ASP A 48 -5.671 15.282 -11.975 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.400 13.448 -13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.447 13.499 -13.557 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.213 11.960 -13.900 1.00 0.00 H new ATOM 722 N GLU A 49 -5.514 12.377 -10.495 1.00 0.00 N ATOM 723 CA GLU A 49 -5.501 11.285 -9.499 1.00 0.00 C ATOM 724 C GLU A 49 -4.166 10.547 -9.591 1.00 0.00 C ATOM 725 O GLU A 49 -4.116 9.336 -9.676 1.00 0.00 O ATOM 726 CB GLU A 49 -6.658 10.323 -9.767 1.00 0.00 C ATOM 727 CG GLU A 49 -7.883 10.774 -8.969 1.00 0.00 C ATOM 728 CD GLU A 49 -8.493 9.574 -8.242 1.00 0.00 C ATOM 729 OE1 GLU A 49 -7.955 9.192 -7.215 1.00 0.00 O ATOM 730 OE2 GLU A 49 -9.488 9.058 -8.723 1.00 0.00 O ATOM 0 H GLU A 49 -5.593 13.316 -10.106 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.620 11.697 -8.497 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.890 10.302 -10.832 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.377 9.309 -9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.598 11.542 -8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.620 11.221 -9.636 1.00 0.00 H new ATOM 737 N THR A 50 -3.082 11.275 -9.562 1.00 0.00 N ATOM 738 CA THR A 50 -1.742 10.633 -9.636 1.00 0.00 C ATOM 739 C THR A 50 -1.166 10.480 -8.226 1.00 0.00 C ATOM 740 O THR A 50 -0.645 9.442 -7.871 1.00 0.00 O ATOM 741 CB THR A 50 -0.810 11.508 -10.472 1.00 0.00 C ATOM 742 OG1 THR A 50 -1.149 12.875 -10.283 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.968 11.140 -11.943 1.00 0.00 C ATOM 0 H THR A 50 -3.069 12.292 -9.490 1.00 0.00 H new ATOM 0 HA THR A 50 -1.835 9.649 -10.097 1.00 0.00 H new ATOM 0 HB THR A 50 0.223 11.348 -10.163 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.840 13.170 -9.401 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.306 11.761 -12.546 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.711 10.090 -12.085 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.000 11.306 -12.251 1.00 0.00 H new ATOM 751 N GLN A 51 -1.267 11.497 -7.410 1.00 0.00 N ATOM 752 CA GLN A 51 -0.732 11.382 -6.021 1.00 0.00 C ATOM 753 C GLN A 51 -1.913 11.263 -5.072 1.00 0.00 C ATOM 754 O GLN A 51 -2.899 11.941 -5.236 1.00 0.00 O ATOM 755 CB GLN A 51 0.082 12.625 -5.665 1.00 0.00 C ATOM 756 CG GLN A 51 0.916 13.057 -6.871 1.00 0.00 C ATOM 757 CD GLN A 51 0.366 14.371 -7.430 1.00 0.00 C ATOM 758 OE1 GLN A 51 -0.173 14.403 -8.519 1.00 0.00 O ATOM 759 NE2 GLN A 51 0.480 15.465 -6.726 1.00 0.00 N ATOM 0 H GLN A 51 -1.693 12.394 -7.642 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.084 10.509 -5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.584 13.433 -5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.733 12.414 -4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.959 13.182 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.891 12.284 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.932 15.439 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 51 0.117 16.346 -7.090 1.00 0.00 H new ATOM 768 N CYS A 52 -1.849 10.409 -4.091 1.00 0.00 N ATOM 769 CA CYS A 52 -3.029 10.285 -3.183 1.00 0.00 C ATOM 770 C CYS A 52 -2.634 9.730 -1.815 1.00 0.00 C ATOM 771 O CYS A 52 -1.515 9.305 -1.587 1.00 0.00 O ATOM 772 CB CYS A 52 -4.087 9.340 -3.788 1.00 0.00 C ATOM 773 SG CYS A 52 -3.496 8.589 -5.326 1.00 0.00 S ATOM 0 H CYS A 52 -1.055 9.805 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.436 11.289 -3.065 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.332 8.558 -3.070 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -5.005 9.895 -3.981 1.00 0.00 H new ATOM 778 N TYR A 53 -3.579 9.717 -0.910 1.00 0.00 N ATOM 779 CA TYR A 53 -3.321 9.177 0.454 1.00 0.00 C ATOM 780 C TYR A 53 -4.538 8.361 0.903 1.00 0.00 C ATOM 781 O TYR A 53 -5.624 8.507 0.377 1.00 0.00 O ATOM 782 CB TYR A 53 -3.068 10.338 1.435 1.00 0.00 C ATOM 783 CG TYR A 53 -3.442 9.927 2.847 1.00 0.00 C ATOM 784 CD1 TYR A 53 -2.509 9.276 3.668 1.00 0.00 C ATOM 785 CD2 TYR A 53 -4.729 10.193 3.330 1.00 0.00 C ATOM 786 CE1 TYR A 53 -2.866 8.893 4.969 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.083 9.812 4.629 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.152 9.163 5.448 1.00 0.00 C ATOM 789 OH TYR A 53 -4.504 8.787 6.729 1.00 0.00 O ATOM 0 H TYR A 53 -4.527 10.061 -1.062 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.439 8.536 0.439 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.018 10.630 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.651 11.209 1.136 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.516 9.070 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.449 10.693 2.699 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.149 8.390 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.076 10.019 5.000 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.432 9.050 6.904 1.00 0.00 H new ATOM 799 N GLY A 54 -4.367 7.505 1.876 1.00 0.00 N ATOM 800 CA GLY A 54 -5.516 6.687 2.356 1.00 0.00 C ATOM 801 C GLY A 54 -5.042 5.267 2.662 1.00 0.00 C ATOM 802 O GLY A 54 -3.927 5.053 3.091 1.00 0.00 O ATOM 0 H GLY A 54 -3.483 7.338 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.948 7.137 3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.300 6.664 1.600 1.00 0.00 H new ATOM 806 N THR A 55 -5.883 4.291 2.446 1.00 0.00 N ATOM 807 CA THR A 55 -5.474 2.887 2.729 1.00 0.00 C ATOM 808 C THR A 55 -4.892 2.256 1.465 1.00 0.00 C ATOM 809 O THR A 55 -5.513 2.222 0.421 1.00 0.00 O ATOM 810 CB THR A 55 -6.689 2.071 3.177 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.803 2.389 2.354 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.017 2.400 4.630 1.00 0.00 C ATOM 0 H THR A 55 -6.831 4.405 2.087 1.00 0.00 H new ATOM 0 HA THR A 55 -4.724 2.891 3.520 1.00 0.00 H new ATOM 0 HB THR A 55 -6.465 1.008 3.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.503 2.509 1.429 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.882 1.819 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.163 2.154 5.261 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.241 3.463 4.721 1.00 0.00 H new ATOM 820 N TRP A 56 -3.707 1.744 1.575 1.00 0.00 N ATOM 821 CA TRP A 56 -3.039 1.086 0.427 1.00 0.00 C ATOM 822 C TRP A 56 -2.651 -0.345 0.828 1.00 0.00 C ATOM 823 O TRP A 56 -1.509 -0.618 1.125 1.00 0.00 O ATOM 824 CB TRP A 56 -1.775 1.862 0.132 1.00 0.00 C ATOM 825 CG TRP A 56 -2.110 3.295 -0.087 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.471 4.167 0.878 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.123 4.032 -1.337 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.706 5.399 0.298 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.503 5.366 -1.069 1.00 0.00 C ATOM 830 CE3 TRP A 56 -1.841 3.670 -2.665 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -2.602 6.312 -2.089 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -1.938 4.617 -3.693 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.318 5.937 -3.406 1.00 0.00 C ATOM 0 H TRP A 56 -3.158 1.754 2.435 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.698 1.060 -0.441 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.074 1.764 0.961 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.283 1.454 -0.751 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.561 3.939 1.930 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -2.994 6.230 0.815 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -1.548 2.656 -2.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -2.896 7.327 -1.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -1.719 4.330 -4.711 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.391 6.663 -4.202 1.00 0.00 H new ATOM 844 N VAL A 57 -3.578 -1.251 0.889 1.00 0.00 N ATOM 845 CA VAL A 57 -3.217 -2.637 1.327 1.00 0.00 C ATOM 846 C VAL A 57 -1.921 -3.099 0.630 1.00 0.00 C ATOM 847 O VAL A 57 -1.779 -2.952 -0.567 1.00 0.00 O ATOM 848 CB VAL A 57 -4.359 -3.597 0.982 1.00 0.00 C ATOM 849 CG1 VAL A 57 -3.880 -5.042 1.140 1.00 0.00 C ATOM 850 CG2 VAL A 57 -5.535 -3.350 1.929 1.00 0.00 C ATOM 0 H VAL A 57 -4.561 -1.103 0.659 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.054 -2.636 2.405 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.674 -3.428 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.694 -5.724 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.040 -5.222 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.564 -5.210 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -6.349 -4.033 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.216 -3.519 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.879 -2.322 1.821 1.00 0.00 H new ATOM 860 N PRO A 58 -1.012 -3.654 1.411 1.00 0.00 N ATOM 861 CA PRO A 58 0.282 -4.157 0.907 1.00 0.00 C ATOM 862 C PRO A 58 0.090 -5.539 0.271 1.00 0.00 C ATOM 863 O PRO A 58 -0.619 -6.377 0.794 1.00 0.00 O ATOM 864 CB PRO A 58 1.152 -4.238 2.172 1.00 0.00 C ATOM 865 CG PRO A 58 0.178 -4.316 3.372 1.00 0.00 C ATOM 866 CD PRO A 58 -1.194 -3.828 2.865 1.00 0.00 C ATOM 0 HA PRO A 58 0.729 -3.527 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.800 -5.114 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.799 -3.365 2.254 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.110 -5.336 3.749 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.529 -3.695 4.196 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.978 -4.553 3.083 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.484 -2.892 3.343 1.00 0.00 H new ATOM 874 N ILE A 59 0.696 -5.782 -0.863 1.00 0.00 N ATOM 875 CA ILE A 59 0.513 -7.106 -1.525 1.00 0.00 C ATOM 876 C ILE A 59 1.754 -7.505 -2.321 1.00 0.00 C ATOM 877 O ILE A 59 2.041 -8.675 -2.475 1.00 0.00 O ATOM 878 CB ILE A 59 -0.649 -7.029 -2.512 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.512 -5.751 -3.355 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.981 -7.032 -1.755 1.00 0.00 C ATOM 881 CD1 ILE A 59 -1.137 -4.561 -2.625 1.00 0.00 C ATOM 0 H ILE A 59 1.304 -5.127 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 59 0.325 -7.839 -0.741 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.628 -7.897 -3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.541 -5.551 -3.555 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.999 -5.890 -4.320 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.804 -6.977 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.066 -7.949 -1.172 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.021 -6.172 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.032 -3.664 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.194 -4.757 -2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.631 -4.413 -1.671 1.00 0.00 H new ATOM 893 N GLY A 60 2.468 -6.566 -2.874 1.00 0.00 N ATOM 894 CA GLY A 60 3.642 -6.963 -3.698 1.00 0.00 C ATOM 895 C GLY A 60 4.903 -6.237 -3.257 1.00 0.00 C ATOM 896 O GLY A 60 4.917 -5.516 -2.282 1.00 0.00 O ATOM 0 H GLY A 60 2.296 -5.564 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.795 -8.039 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.443 -6.744 -4.747 1.00 0.00 H new ATOM 900 N LEU A 61 5.963 -6.428 -3.988 1.00 0.00 N ATOM 901 CA LEU A 61 7.238 -5.757 -3.645 1.00 0.00 C ATOM 902 C LEU A 61 7.287 -4.405 -4.358 1.00 0.00 C ATOM 903 O LEU A 61 7.971 -3.497 -3.934 1.00 0.00 O ATOM 904 CB LEU A 61 8.411 -6.628 -4.100 1.00 0.00 C ATOM 905 CG LEU A 61 8.151 -8.085 -3.708 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.229 -8.979 -4.323 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.192 -8.218 -2.184 1.00 0.00 C ATOM 0 H LEU A 61 5.998 -7.025 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 61 7.305 -5.607 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.539 -6.549 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.336 -6.277 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 61 7.171 -8.390 -4.075 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.044 -10.016 -4.044 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.204 -8.885 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.209 -8.673 -3.955 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.007 -9.255 -1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.172 -7.913 -1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.426 -7.581 -1.742 1.00 0.00 H new ATOM 919 N ALA A 62 6.560 -4.252 -5.436 1.00 0.00 N ATOM 920 CA ALA A 62 6.579 -2.942 -6.144 1.00 0.00 C ATOM 921 C ALA A 62 5.899 -3.044 -7.520 1.00 0.00 C ATOM 922 O ALA A 62 6.369 -2.468 -8.481 1.00 0.00 O ATOM 923 CB ALA A 62 8.031 -2.496 -6.322 1.00 0.00 C ATOM 0 H ALA A 62 5.963 -4.968 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 62 6.029 -2.214 -5.548 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.056 -1.537 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.502 -2.393 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.571 -3.239 -6.909 1.00 0.00 H new ATOM 929 N ILE A 63 4.778 -3.728 -7.618 1.00 0.00 N ATOM 930 CA ILE A 63 4.068 -3.807 -8.941 1.00 0.00 C ATOM 931 C ILE A 63 2.997 -4.930 -9.004 1.00 0.00 C ATOM 932 O ILE A 63 1.986 -4.736 -9.649 1.00 0.00 O ATOM 933 CB ILE A 63 5.097 -3.970 -10.084 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.113 -2.679 -10.910 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.739 -5.146 -11.005 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.685 -2.323 -11.347 1.00 0.00 C ATOM 0 H ILE A 63 4.329 -4.228 -6.851 1.00 0.00 H new ATOM 0 HA ILE A 63 3.526 -2.869 -9.062 1.00 0.00 H new ATOM 0 HB ILE A 63 6.074 -4.170 -9.644 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.536 -1.865 -10.321 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.750 -2.804 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.485 -5.229 -11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.720 -6.069 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.758 -4.976 -11.448 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.702 -1.405 -11.934 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.277 -3.133 -11.952 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.060 -2.179 -10.466 1.00 0.00 H new ATOM 948 N PRO A 64 3.225 -6.076 -8.391 1.00 0.00 N ATOM 949 CA PRO A 64 2.251 -7.184 -8.466 1.00 0.00 C ATOM 950 C PRO A 64 0.967 -6.891 -7.681 1.00 0.00 C ATOM 951 O PRO A 64 0.956 -6.152 -6.717 1.00 0.00 O ATOM 952 CB PRO A 64 3.015 -8.391 -7.920 1.00 0.00 C ATOM 953 CG PRO A 64 4.193 -7.831 -7.095 1.00 0.00 C ATOM 954 CD PRO A 64 4.421 -6.381 -7.573 1.00 0.00 C ATOM 0 HA PRO A 64 1.896 -7.352 -9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.368 -9.011 -7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.376 -9.021 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.965 -7.856 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.090 -8.433 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.514 -5.694 -6.732 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.337 -6.294 -8.158 1.00 0.00 H new ATOM 962 N GLU A 65 -0.124 -7.464 -8.128 1.00 0.00 N ATOM 963 CA GLU A 65 -1.447 -7.238 -7.476 1.00 0.00 C ATOM 964 C GLU A 65 -1.548 -8.017 -6.163 1.00 0.00 C ATOM 965 O GLU A 65 -0.562 -8.465 -5.611 1.00 0.00 O ATOM 966 CB GLU A 65 -2.550 -7.724 -8.421 1.00 0.00 C ATOM 967 CG GLU A 65 -2.396 -9.231 -8.639 1.00 0.00 C ATOM 968 CD GLU A 65 -2.776 -9.581 -10.079 1.00 0.00 C ATOM 969 OE1 GLU A 65 -3.874 -9.238 -10.482 1.00 0.00 O ATOM 970 OE2 GLU A 65 -1.961 -10.189 -10.755 1.00 0.00 O ATOM 0 H GLU A 65 -0.151 -8.090 -8.933 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.556 -6.175 -7.263 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.531 -7.504 -7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.487 -7.198 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.368 -9.535 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.031 -9.777 -7.941 1.00 0.00 H new