USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 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 67 GLN : amide:sc= 0 X(o=-0.53,f=-0.53) USER MOD Set 1.2: A 70 SER OG : rot 150:sc= -0.534 USER MOD Set 2.1: A 40 CYS SG : rot 67:sc= 1.32 USER MOD Set 2.2: A 43 TYR OH : rot -154:sc= 0.306 USER MOD Set 2.3: A 65 THR OG1 : rot -141:sc= 0.408 USER MOD Single : A 1 ALA N :NH3+ -99:sc= 0.0645 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 17 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.565 X(o=-0.57,f=-0.21) USER MOD Single : A 25 THR OG1 : rot -10:sc= 0.741 USER MOD Single : A 34 LYS NZ :NH3+ -115:sc= 0.636 (180deg=-0.237) USER MOD Single : A 37 ASN : amide:sc= -0.63 K(o=-0.63,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 157:sc= -0.519 (180deg=-0.545) USER MOD Single : A 41 SER OG : rot -125:sc= 0.197 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -120:sc= -1.23 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 75 ASN : amide:sc= -0.836 X(o=-0.84,f=-1.1) USER MOD Single : A 76 MET CE :methyl -156:sc= -0.896 (180deg=-1.94!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.283 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.27 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.217 F(o=-2.7,f=-0.22) USER MOD Single : A 100 SER OG : rot -117:sc= 0.184 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -125:sc= -0.274 (180deg=-0.801) USER MOD Single : A 104 TYR OH : rot 140:sc= 0.11 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 62:sc= 0.0131 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.348 11.433 -10.119 1.00 0.00 N ATOM 2 CA ALA A 1 14.152 10.085 -9.600 1.00 0.00 C ATOM 3 C ALA A 1 15.314 9.667 -8.704 1.00 0.00 C ATOM 4 O ALA A 1 16.406 10.233 -8.760 1.00 0.00 O ATOM 5 CB ALA A 1 13.985 9.097 -10.745 1.00 0.00 C ATOM 0 H1 ALA A 1 13.799 12.108 -9.549 1.00 0.00 H new ATOM 0 H2 ALA A 1 15.357 11.680 -10.071 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.028 11.474 -11.108 1.00 0.00 H new ATOM 0 HA ALA A 1 13.244 10.083 -8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.840 8.095 -10.342 1.00 0.00 H new ATOM 0 HB2 ALA A 1 13.118 9.377 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.878 9.111 -11.370 1.00 0.00 H new ATOM 11 N PRO A 2 15.075 8.654 -7.858 1.00 0.00 N ATOM 12 CA PRO A 2 16.090 8.139 -6.935 1.00 0.00 C ATOM 13 C PRO A 2 17.211 7.400 -7.658 1.00 0.00 C ATOM 14 O PRO A 2 18.352 7.379 -7.196 1.00 0.00 O ATOM 15 CB PRO A 2 15.302 7.175 -6.044 1.00 0.00 C ATOM 16 CG PRO A 2 14.143 6.750 -6.878 1.00 0.00 C ATOM 17 CD PRO A 2 13.797 7.933 -7.739 1.00 0.00 C ATOM 0 HA PRO A 2 16.586 8.940 -6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.912 6.321 -5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.972 7.663 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.398 5.884 -7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.298 6.461 -6.253 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.418 7.624 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.027 8.553 -7.279 1.00 0.00 H new ATOM 25 N ILE A 3 16.878 6.795 -8.793 1.00 0.00 N ATOM 26 CA ILE A 3 17.858 6.057 -9.581 1.00 0.00 C ATOM 27 C ILE A 3 18.564 5.004 -8.733 1.00 0.00 C ATOM 28 O ILE A 3 18.289 4.864 -7.541 1.00 0.00 O ATOM 29 CB ILE A 3 18.912 6.998 -10.194 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.344 8.411 -10.336 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.374 6.468 -11.543 1.00 0.00 C ATOM 32 CD1 ILE A 3 19.276 9.367 -11.048 1.00 0.00 C ATOM 0 H ILE A 3 15.937 6.801 -9.188 1.00 0.00 H new ATOM 0 HA ILE A 3 17.311 5.566 -10.385 1.00 0.00 H new ATOM 0 HB ILE A 3 19.774 7.039 -9.528 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.401 8.362 -10.881 1.00 0.00 H new ATOM 0 HG13 ILE A 3 18.120 8.805 -9.345 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.119 7.144 -11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.813 5.479 -11.414 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.522 6.401 -12.219 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.809 10.350 -11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.211 9.445 -10.493 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.481 8.995 -12.052 1.00 0.00 H new ATOM 44 N LYS A 4 19.476 4.266 -9.356 1.00 0.00 N ATOM 45 CA LYS A 4 20.225 3.227 -8.659 1.00 0.00 C ATOM 46 C LYS A 4 21.259 3.839 -7.719 1.00 0.00 C ATOM 47 O LYS A 4 21.926 3.129 -6.967 1.00 0.00 O ATOM 48 CB LYS A 4 20.919 2.307 -9.667 1.00 0.00 C ATOM 49 CG LYS A 4 21.790 3.047 -10.666 1.00 0.00 C ATOM 50 CD LYS A 4 23.193 2.465 -10.721 1.00 0.00 C ATOM 51 CE LYS A 4 24.195 3.476 -11.259 1.00 0.00 C ATOM 52 NZ LYS A 4 25.508 2.845 -11.566 1.00 0.00 N ATOM 0 H LYS A 4 19.715 4.368 -10.342 1.00 0.00 H new ATOM 0 HA LYS A 4 19.521 2.643 -8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.533 1.587 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.163 1.739 -10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.335 2.996 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.843 4.101 -10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.495 2.147 -9.723 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.195 1.577 -11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.795 3.939 -12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 4 24.336 4.272 -10.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 26.163 3.566 -11.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 25.902 2.425 -10.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.377 2.103 -12.283 1.00 0.00 H new ATOM 66 N GLY A 5 21.384 5.162 -7.765 1.00 0.00 N ATOM 67 CA GLY A 5 22.337 5.847 -6.911 1.00 0.00 C ATOM 68 C GLY A 5 23.299 6.716 -7.696 1.00 0.00 C ATOM 69 O GLY A 5 23.448 7.904 -7.411 1.00 0.00 O ATOM 0 H GLY A 5 20.843 5.771 -8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 5 21.798 6.465 -6.193 1.00 0.00 H new ATOM 0 HA3 GLY A 5 22.902 5.111 -6.338 1.00 0.00 H new ATOM 73 N VAL A 6 23.957 6.122 -8.687 1.00 0.00 N ATOM 74 CA VAL A 6 24.910 6.850 -9.516 1.00 0.00 C ATOM 75 C VAL A 6 24.394 7.003 -10.942 1.00 0.00 C ATOM 76 O VAL A 6 23.496 6.278 -11.371 1.00 0.00 O ATOM 77 CB VAL A 6 26.278 6.143 -9.549 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.361 7.098 -10.028 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.620 5.579 -8.179 1.00 0.00 C ATOM 0 H VAL A 6 23.847 5.139 -8.935 1.00 0.00 H new ATOM 0 HA VAL A 6 25.030 7.837 -9.069 1.00 0.00 H new ATOM 0 HB VAL A 6 26.222 5.313 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.320 6.581 -10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.120 7.448 -11.032 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.420 7.950 -9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.590 5.083 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.658 6.389 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 6 25.857 4.860 -7.881 1.00 0.00 H new ATOM 89 N THR A 7 24.969 7.952 -11.675 1.00 0.00 N ATOM 90 CA THR A 7 24.567 8.202 -13.053 1.00 0.00 C ATOM 91 C THR A 7 23.134 8.717 -13.124 1.00 0.00 C ATOM 92 O THR A 7 22.298 8.371 -12.289 1.00 0.00 O ATOM 93 CB THR A 7 24.685 6.928 -13.912 1.00 0.00 C ATOM 94 OG1 THR A 7 26.002 6.379 -13.794 1.00 0.00 O ATOM 95 CG2 THR A 7 24.385 7.231 -15.372 1.00 0.00 C ATOM 0 H THR A 7 25.715 8.560 -11.336 1.00 0.00 H new ATOM 0 HA THR A 7 25.243 8.962 -13.446 1.00 0.00 H new ATOM 0 HB THR A 7 23.956 6.203 -13.551 1.00 0.00 H new ATOM 0 HG1 THR A 7 26.069 5.569 -14.341 1.00 0.00 H new ATOM 0 HG21 THR A 7 24.474 6.317 -15.959 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.372 7.622 -15.462 1.00 0.00 H new ATOM 0 HG23 THR A 7 25.094 7.971 -15.743 1.00 0.00 H new ATOM 103 N PHE A 8 22.856 9.544 -14.125 1.00 0.00 N ATOM 104 CA PHE A 8 21.523 10.108 -14.304 1.00 0.00 C ATOM 105 C PHE A 8 21.357 10.677 -15.710 1.00 0.00 C ATOM 106 O PHE A 8 22.258 11.329 -16.238 1.00 0.00 O ATOM 107 CB PHE A 8 21.264 11.201 -13.266 1.00 0.00 C ATOM 108 CG PHE A 8 22.405 12.167 -13.115 1.00 0.00 C ATOM 109 CD1 PHE A 8 23.473 11.873 -12.284 1.00 0.00 C ATOM 110 CD2 PHE A 8 22.407 13.369 -13.804 1.00 0.00 C ATOM 111 CE1 PHE A 8 24.525 12.759 -12.143 1.00 0.00 C ATOM 112 CE2 PHE A 8 23.456 14.259 -13.668 1.00 0.00 C ATOM 113 CZ PHE A 8 24.515 13.954 -12.835 1.00 0.00 C ATOM 0 H PHE A 8 23.536 9.839 -14.826 1.00 0.00 H new ATOM 0 HA PHE A 8 20.796 9.307 -14.167 1.00 0.00 H new ATOM 0 HB2 PHE A 8 20.367 11.752 -13.547 1.00 0.00 H new ATOM 0 HB3 PHE A 8 21.063 10.735 -12.301 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.484 10.940 -11.739 1.00 0.00 H new ATOM 0 HD2 PHE A 8 21.580 13.613 -14.454 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.353 12.517 -11.493 1.00 0.00 H new ATOM 0 HE2 PHE A 8 23.448 15.192 -14.212 1.00 0.00 H new ATOM 0 HZ PHE A 8 25.334 14.649 -12.725 1.00 0.00 H new ATOM 123 N GLY A 9 20.199 10.425 -16.312 1.00 0.00 N ATOM 124 CA GLY A 9 19.936 10.918 -17.651 1.00 0.00 C ATOM 125 C GLY A 9 20.821 10.266 -18.694 1.00 0.00 C ATOM 126 O GLY A 9 21.578 10.945 -19.387 1.00 0.00 O ATOM 0 H GLY A 9 19.438 9.888 -15.896 1.00 0.00 H new ATOM 0 HA2 GLY A 9 18.891 10.738 -17.902 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.088 11.997 -17.674 1.00 0.00 H new ATOM 130 N GLU A 10 20.728 8.944 -18.804 1.00 0.00 N ATOM 131 CA GLU A 10 21.530 8.200 -19.768 1.00 0.00 C ATOM 132 C GLU A 10 20.650 7.604 -20.863 1.00 0.00 C ATOM 133 O GLU A 10 21.060 7.505 -22.019 1.00 0.00 O ATOM 134 CB GLU A 10 22.312 7.089 -19.065 1.00 0.00 C ATOM 135 CG GLU A 10 23.711 7.504 -18.640 1.00 0.00 C ATOM 136 CD GLU A 10 24.681 7.562 -19.804 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.274 7.217 -20.933 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.847 7.953 -19.587 1.00 0.00 O ATOM 0 H GLU A 10 20.106 8.367 -18.238 1.00 0.00 H new ATOM 0 HA GLU A 10 22.234 8.893 -20.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.755 6.765 -18.186 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.384 6.229 -19.731 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.666 8.482 -18.160 1.00 0.00 H new ATOM 0 HG3 GLU A 10 24.084 6.801 -17.896 1.00 0.00 H new ATOM 145 N ASP A 11 19.439 7.206 -20.488 1.00 0.00 N ATOM 146 CA ASP A 11 18.499 6.620 -21.437 1.00 0.00 C ATOM 147 C ASP A 11 17.083 7.127 -21.184 1.00 0.00 C ATOM 148 O ASP A 11 16.500 7.819 -22.019 1.00 0.00 O ATOM 149 CB ASP A 11 18.532 5.093 -21.343 1.00 0.00 C ATOM 150 CG ASP A 11 18.268 4.425 -22.677 1.00 0.00 C ATOM 151 OD1 ASP A 11 17.111 4.473 -23.146 1.00 0.00 O ATOM 152 OD2 ASP A 11 19.217 3.852 -23.253 1.00 0.00 O ATOM 0 H ASP A 11 19.085 7.278 -19.534 1.00 0.00 H new ATOM 0 HA ASP A 11 18.799 6.921 -22.441 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.505 4.776 -20.968 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.787 4.760 -20.620 1.00 0.00 H new ATOM 157 N THR A 12 16.533 6.777 -20.025 1.00 0.00 N ATOM 158 CA THR A 12 15.185 7.195 -19.662 1.00 0.00 C ATOM 159 C THR A 12 14.835 6.752 -18.246 1.00 0.00 C ATOM 160 O THR A 12 15.606 6.046 -17.596 1.00 0.00 O ATOM 161 CB THR A 12 14.139 6.626 -20.639 1.00 0.00 C ATOM 162 OG1 THR A 12 12.863 7.229 -20.396 1.00 0.00 O ATOM 163 CG2 THR A 12 14.027 5.116 -20.493 1.00 0.00 C ATOM 0 H THR A 12 17.001 6.205 -19.322 1.00 0.00 H new ATOM 0 HA THR A 12 15.166 8.284 -19.714 1.00 0.00 H new ATOM 0 HB THR A 12 14.461 6.854 -21.655 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.204 6.863 -21.022 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.282 4.737 -21.193 1.00 0.00 H new ATOM 0 HG22 THR A 12 14.992 4.657 -20.707 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.726 4.870 -19.475 1.00 0.00 H new ATOM 171 N VAL A 13 13.665 7.171 -17.772 1.00 0.00 N ATOM 172 CA VAL A 13 13.212 6.816 -16.432 1.00 0.00 C ATOM 173 C VAL A 13 12.310 5.588 -16.465 1.00 0.00 C ATOM 174 O VAL A 13 11.813 5.198 -17.522 1.00 0.00 O ATOM 175 CB VAL A 13 12.452 7.980 -15.770 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.460 7.831 -14.256 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.054 9.314 -16.186 1.00 0.00 C ATOM 0 H VAL A 13 13.014 7.756 -18.296 1.00 0.00 H new ATOM 0 HA VAL A 13 14.103 6.593 -15.845 1.00 0.00 H new ATOM 0 HB VAL A 13 11.416 7.954 -16.108 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.918 8.663 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.979 6.893 -13.980 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.489 7.831 -13.896 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.505 10.126 -15.709 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.099 9.353 -15.879 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.990 9.420 -17.269 1.00 0.00 H new ATOM 187 N TRP A 14 12.102 4.982 -15.302 1.00 0.00 N ATOM 188 CA TRP A 14 11.258 3.797 -15.197 1.00 0.00 C ATOM 189 C TRP A 14 11.845 2.639 -15.996 1.00 0.00 C ATOM 190 O TRP A 14 11.155 1.661 -16.286 1.00 0.00 O ATOM 191 CB TRP A 14 9.844 4.108 -15.690 1.00 0.00 C ATOM 192 CG TRP A 14 8.937 4.616 -14.610 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.001 5.831 -13.990 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.831 3.922 -14.022 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.002 5.934 -13.052 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.270 4.776 -13.053 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.259 2.663 -14.221 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.167 4.410 -12.286 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.165 2.300 -13.460 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.627 3.171 -12.502 1.00 0.00 C ATOM 0 H TRP A 14 12.506 5.291 -14.418 1.00 0.00 H new ATOM 0 HA TRP A 14 11.213 3.504 -14.148 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.900 4.850 -16.487 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.411 3.206 -16.124 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.730 6.598 -14.205 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.833 6.742 -12.452 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.665 1.985 -14.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.752 5.080 -11.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.716 1.328 -13.605 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.770 2.858 -11.924 1.00 0.00 H new ATOM 211 N GLU A 15 13.121 2.755 -16.349 1.00 0.00 N ATOM 212 CA GLU A 15 13.799 1.716 -17.115 1.00 0.00 C ATOM 213 C GLU A 15 15.200 1.461 -16.566 1.00 0.00 C ATOM 214 O GLU A 15 15.641 0.316 -16.466 1.00 0.00 O ATOM 215 CB GLU A 15 13.882 2.112 -18.591 1.00 0.00 C ATOM 216 CG GLU A 15 12.628 1.778 -19.382 1.00 0.00 C ATOM 217 CD GLU A 15 12.330 0.292 -19.404 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.085 -0.456 -20.060 1.00 0.00 O ATOM 219 OE2 GLU A 15 11.341 -0.124 -18.764 1.00 0.00 O ATOM 0 H GLU A 15 13.706 3.558 -16.117 1.00 0.00 H new ATOM 0 HA GLU A 15 13.220 0.797 -17.024 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.071 3.183 -18.661 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.734 1.607 -19.047 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.779 2.308 -18.951 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.742 2.137 -20.405 1.00 0.00 H new ATOM 226 N VAL A 16 15.895 2.538 -16.213 1.00 0.00 N ATOM 227 CA VAL A 16 17.246 2.432 -15.674 1.00 0.00 C ATOM 228 C VAL A 16 17.260 2.694 -14.172 1.00 0.00 C ATOM 229 O VAL A 16 18.010 2.061 -13.429 1.00 0.00 O ATOM 230 CB VAL A 16 18.205 3.420 -16.365 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.645 2.953 -16.223 1.00 0.00 C ATOM 232 CG2 VAL A 16 17.832 3.586 -17.830 1.00 0.00 C ATOM 0 H VAL A 16 15.545 3.493 -16.290 1.00 0.00 H new ATOM 0 HA VAL A 16 17.585 1.414 -15.866 1.00 0.00 H new ATOM 0 HB VAL A 16 18.113 4.391 -15.878 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.308 3.663 -16.717 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.904 2.889 -15.166 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.756 1.971 -16.684 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.519 4.287 -18.303 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.895 2.621 -18.333 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.814 3.969 -17.905 1.00 0.00 H new ATOM 242 N GLN A 17 16.426 3.631 -13.732 1.00 0.00 N ATOM 243 CA GLN A 17 16.343 3.977 -12.318 1.00 0.00 C ATOM 244 C GLN A 17 16.136 2.730 -11.464 1.00 0.00 C ATOM 245 O GLN A 17 16.571 2.674 -10.315 1.00 0.00 O ATOM 246 CB GLN A 17 15.202 4.967 -12.080 1.00 0.00 C ATOM 247 CG GLN A 17 13.879 4.301 -11.739 1.00 0.00 C ATOM 248 CD GLN A 17 12.736 5.291 -11.639 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.931 6.446 -11.257 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.533 4.845 -11.981 1.00 0.00 N ATOM 0 H GLN A 17 15.798 4.164 -14.334 1.00 0.00 H new ATOM 0 HA GLN A 17 17.285 4.442 -12.028 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.480 5.640 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.072 5.579 -12.972 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.644 3.557 -12.500 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.978 3.769 -10.793 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.416 3.881 -12.292 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.726 5.467 -11.933 1.00 0.00 H new ATOM 259 N GLY A 18 15.469 1.731 -12.035 1.00 0.00 N ATOM 260 CA GLY A 18 15.216 0.499 -11.311 1.00 0.00 C ATOM 261 C GLY A 18 14.220 0.683 -10.184 1.00 0.00 C ATOM 262 O GLY A 18 14.379 0.110 -9.106 1.00 0.00 O ATOM 0 H GLY A 18 15.100 1.753 -12.986 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.841 -0.255 -12.003 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.154 0.121 -10.905 1.00 0.00 H new ATOM 266 N TYR A 19 13.190 1.484 -10.432 1.00 0.00 N ATOM 267 CA TYR A 19 12.165 1.745 -9.428 1.00 0.00 C ATOM 268 C TYR A 19 10.846 2.139 -10.085 1.00 0.00 C ATOM 269 O TYR A 19 10.768 2.297 -11.303 1.00 0.00 O ATOM 270 CB TYR A 19 12.624 2.852 -8.477 1.00 0.00 C ATOM 271 CG TYR A 19 13.678 2.403 -7.489 1.00 0.00 C ATOM 272 CD1 TYR A 19 13.339 1.638 -6.381 1.00 0.00 C ATOM 273 CD2 TYR A 19 15.013 2.744 -7.666 1.00 0.00 C ATOM 274 CE1 TYR A 19 14.298 1.227 -5.476 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.980 2.336 -6.767 1.00 0.00 C ATOM 276 CZ TYR A 19 15.617 1.578 -5.673 1.00 0.00 C ATOM 277 OH TYR A 19 16.576 1.169 -4.775 1.00 0.00 O ATOM 0 H TYR A 19 13.042 1.964 -11.320 1.00 0.00 H new ATOM 0 HA TYR A 19 12.007 0.828 -8.860 1.00 0.00 H new ATOM 0 HB2 TYR A 19 13.017 3.683 -9.063 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.761 3.229 -7.928 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.307 1.359 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.300 3.338 -8.521 1.00 0.00 H new ATOM 0 HE1 TYR A 19 14.016 0.634 -4.619 1.00 0.00 H new ATOM 0 HE2 TYR A 19 17.014 2.609 -6.920 1.00 0.00 H new ATOM 0 HH TYR A 19 17.453 1.499 -5.060 1.00 0.00 H new ATOM 287 N LYS A 20 9.810 2.296 -9.268 1.00 0.00 N ATOM 288 CA LYS A 20 8.492 2.673 -9.766 1.00 0.00 C ATOM 289 C LYS A 20 7.732 3.493 -8.729 1.00 0.00 C ATOM 290 O LYS A 20 8.265 3.816 -7.668 1.00 0.00 O ATOM 291 CB LYS A 20 7.687 1.424 -10.135 1.00 0.00 C ATOM 292 CG LYS A 20 8.117 0.788 -11.445 1.00 0.00 C ATOM 293 CD LYS A 20 9.164 -0.290 -11.225 1.00 0.00 C ATOM 294 CE LYS A 20 8.878 -1.525 -12.067 1.00 0.00 C ATOM 295 NZ LYS A 20 9.304 -1.342 -13.482 1.00 0.00 N ATOM 0 H LYS A 20 9.858 2.168 -8.257 1.00 0.00 H new ATOM 0 HA LYS A 20 8.630 3.286 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.785 0.690 -9.335 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.631 1.688 -10.198 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.249 0.357 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.517 1.555 -12.109 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.150 0.102 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.189 -0.565 -10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.396 -2.384 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.811 -1.748 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.092 -2.205 -14.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.791 -0.538 -13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.326 -1.155 -13.515 1.00 0.00 H new ATOM 309 N ASN A 21 6.484 3.825 -9.043 1.00 0.00 N ATOM 310 CA ASN A 21 5.651 4.607 -8.137 1.00 0.00 C ATOM 311 C ASN A 21 4.214 4.095 -8.141 1.00 0.00 C ATOM 312 O ASN A 21 3.399 4.509 -8.966 1.00 0.00 O ATOM 313 CB ASN A 21 5.679 6.085 -8.532 1.00 0.00 C ATOM 314 CG ASN A 21 7.087 6.646 -8.574 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.549 7.268 -7.617 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.778 6.428 -9.687 1.00 0.00 N ATOM 0 H ASN A 21 6.028 3.565 -9.917 1.00 0.00 H new ATOM 0 HA ASN A 21 6.053 4.500 -7.130 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.214 6.206 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.083 6.659 -7.822 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.731 6.781 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.356 5.907 -10.456 1.00 0.00 H new ATOM 323 N VAL A 22 3.910 3.193 -7.213 1.00 0.00 N ATOM 324 CA VAL A 22 2.571 2.626 -7.108 1.00 0.00 C ATOM 325 C VAL A 22 1.821 3.204 -5.914 1.00 0.00 C ATOM 326 O VAL A 22 2.382 3.352 -4.828 1.00 0.00 O ATOM 327 CB VAL A 22 2.620 1.092 -6.976 1.00 0.00 C ATOM 328 CG1 VAL A 22 3.356 0.689 -5.707 1.00 0.00 C ATOM 329 CG2 VAL A 22 1.215 0.510 -6.995 1.00 0.00 C ATOM 0 H VAL A 22 4.573 2.839 -6.523 1.00 0.00 H new ATOM 0 HA VAL A 22 2.044 2.888 -8.025 1.00 0.00 H new ATOM 0 HB VAL A 22 3.167 0.689 -7.828 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.381 -0.398 -5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.375 1.074 -5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.840 1.102 -4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.269 -0.575 -6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.641 0.918 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.727 0.769 -7.935 1.00 0.00 H new ATOM 339 N ARG A 23 0.549 3.529 -6.122 1.00 0.00 N ATOM 340 CA ARG A 23 -0.279 4.092 -5.062 1.00 0.00 C ATOM 341 C ARG A 23 -1.431 3.154 -4.715 1.00 0.00 C ATOM 342 O ARG A 23 -1.882 2.373 -5.553 1.00 0.00 O ATOM 343 CB ARG A 23 -0.828 5.456 -5.485 1.00 0.00 C ATOM 344 CG ARG A 23 -1.477 6.230 -4.349 1.00 0.00 C ATOM 345 CD ARG A 23 -0.942 7.651 -4.266 1.00 0.00 C ATOM 346 NE ARG A 23 -2.013 8.630 -4.100 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.804 9.939 -4.011 1.00 0.00 C ATOM 348 NH1 ARG A 23 -0.572 10.423 -4.072 1.00 0.00 N ATOM 349 NH2 ARG A 23 -2.831 10.767 -3.861 1.00 0.00 N ATOM 0 H ARG A 23 0.070 3.412 -7.015 1.00 0.00 H new ATOM 0 HA ARG A 23 0.344 4.217 -4.176 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.016 6.052 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.559 5.313 -6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.557 6.255 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.294 5.716 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.247 7.729 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.379 7.880 -5.171 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.973 8.290 -4.050 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.219 9.790 -4.188 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.415 11.429 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.781 10.398 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.670 11.772 -3.793 1.00 0.00 H new ATOM 363 N ILE A 24 -1.900 3.235 -3.475 1.00 0.00 N ATOM 364 CA ILE A 24 -2.999 2.394 -3.017 1.00 0.00 C ATOM 365 C ILE A 24 -4.239 3.227 -2.711 1.00 0.00 C ATOM 366 O ILE A 24 -4.150 4.291 -2.098 1.00 0.00 O ATOM 367 CB ILE A 24 -2.610 1.593 -1.761 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.179 1.066 -1.889 1.00 0.00 C ATOM 369 CG2 ILE A 24 -3.585 0.446 -1.541 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.958 0.207 -3.115 1.00 0.00 C ATOM 0 H ILE A 24 -1.536 3.875 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.222 1.699 -3.827 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.658 2.255 -0.896 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.491 1.911 -1.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.933 0.486 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.297 -0.111 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.591 0.844 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.567 -0.218 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.078 -0.131 -3.140 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -1.621 -0.657 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.171 0.790 -4.011 1.00 0.00 H new ATOM 382 N THR A 25 -5.397 2.735 -3.141 1.00 0.00 N ATOM 383 CA THR A 25 -6.656 3.434 -2.912 1.00 0.00 C ATOM 384 C THR A 25 -7.844 2.495 -3.084 1.00 0.00 C ATOM 385 O THR A 25 -8.476 2.463 -4.140 1.00 0.00 O ATOM 386 CB THR A 25 -6.818 4.628 -3.871 1.00 0.00 C ATOM 387 OG1 THR A 25 -5.766 5.576 -3.654 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.165 5.304 -3.670 1.00 0.00 C ATOM 0 H THR A 25 -5.489 1.856 -3.650 1.00 0.00 H new ATOM 0 HA THR A 25 -6.632 3.802 -1.886 1.00 0.00 H new ATOM 0 HB THR A 25 -6.766 4.255 -4.894 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.268 5.333 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.257 6.144 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.964 4.588 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.241 5.665 -2.644 1.00 0.00 H new ATOM 396 N PHE A 26 -8.145 1.731 -2.038 1.00 0.00 N ATOM 397 CA PHE A 26 -9.259 0.790 -2.074 1.00 0.00 C ATOM 398 C PHE A 26 -10.283 1.120 -0.992 1.00 0.00 C ATOM 399 O PHE A 26 -11.303 1.752 -1.262 1.00 0.00 O ATOM 400 CB PHE A 26 -8.750 -0.641 -1.892 1.00 0.00 C ATOM 401 CG PHE A 26 -9.850 -1.659 -1.790 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.571 -2.034 -2.913 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.163 -2.242 -0.573 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.584 -2.970 -2.822 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.174 -3.179 -0.476 1.00 0.00 C ATOM 406 CZ PHE A 26 -11.885 -3.544 -1.603 1.00 0.00 C ATOM 0 H PHE A 26 -7.633 1.745 -1.156 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.744 0.875 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.104 -0.898 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.137 -0.689 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.339 -1.590 -3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.610 -1.961 0.311 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.140 -3.252 -3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.408 -3.625 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.675 -4.277 -1.531 1.00 0.00 H new ATOM 416 N GLU A 27 -10.003 0.685 0.232 1.00 0.00 N ATOM 417 CA GLU A 27 -10.901 0.932 1.354 1.00 0.00 C ATOM 418 C GLU A 27 -10.413 0.215 2.610 1.00 0.00 C ATOM 419 O GLU A 27 -9.972 -0.934 2.551 1.00 0.00 O ATOM 420 CB GLU A 27 -12.320 0.474 1.011 1.00 0.00 C ATOM 421 CG GLU A 27 -13.349 1.591 1.062 1.00 0.00 C ATOM 422 CD GLU A 27 -14.278 1.474 2.256 1.00 0.00 C ATOM 423 OE1 GLU A 27 -13.855 0.905 3.284 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.428 1.951 2.160 1.00 0.00 O ATOM 0 H GLU A 27 -9.162 0.160 0.472 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.910 2.004 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.320 0.037 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.616 -0.313 1.704 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.835 2.552 1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.938 1.579 0.145 1.00 0.00 H new ATOM 431 N LEU A 28 -10.495 0.901 3.745 1.00 0.00 N ATOM 432 CA LEU A 28 -10.062 0.331 5.016 1.00 0.00 C ATOM 433 C LEU A 28 -11.052 0.663 6.127 1.00 0.00 C ATOM 434 O LEU A 28 -11.606 -0.232 6.767 1.00 0.00 O ATOM 435 CB LEU A 28 -8.671 0.852 5.383 1.00 0.00 C ATOM 436 CG LEU A 28 -7.505 -0.101 5.116 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.708 -1.413 5.857 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.350 -0.348 3.623 1.00 0.00 C ATOM 0 H LEU A 28 -10.857 1.852 3.811 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.020 -0.753 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.493 1.775 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.669 1.109 6.442 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.590 0.363 5.484 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.869 -2.079 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.769 -1.220 6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.632 -1.882 5.520 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.516 -1.028 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.266 -0.790 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.157 0.597 3.116 1.00 0.00 H new ATOM 450 N ASP A 29 -11.272 1.954 6.350 1.00 0.00 N ATOM 451 CA ASP A 29 -12.198 2.405 7.383 1.00 0.00 C ATOM 452 C ASP A 29 -13.141 3.473 6.837 1.00 0.00 C ATOM 453 O ASP A 29 -12.797 4.201 5.907 1.00 0.00 O ATOM 454 CB ASP A 29 -11.428 2.953 8.585 1.00 0.00 C ATOM 455 CG ASP A 29 -12.333 3.258 9.762 1.00 0.00 C ATOM 456 OD1 ASP A 29 -13.428 2.663 9.838 1.00 0.00 O ATOM 457 OD2 ASP A 29 -11.947 4.093 10.607 1.00 0.00 O ATOM 0 H ASP A 29 -10.822 2.707 5.829 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.792 1.549 7.703 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.672 2.229 8.890 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.900 3.860 8.292 1.00 0.00 H new ATOM 462 N GLU A 30 -14.332 3.557 7.422 1.00 0.00 N ATOM 463 CA GLU A 30 -15.325 4.535 6.992 1.00 0.00 C ATOM 464 C GLU A 30 -14.937 5.940 7.445 1.00 0.00 C ATOM 465 O GLU A 30 -15.409 6.934 6.893 1.00 0.00 O ATOM 466 CB GLU A 30 -16.704 4.171 7.546 1.00 0.00 C ATOM 467 CG GLU A 30 -16.725 3.986 9.054 1.00 0.00 C ATOM 468 CD GLU A 30 -18.035 4.427 9.678 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.281 5.650 9.737 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.813 3.549 10.107 1.00 0.00 O ATOM 0 H GLU A 30 -14.632 2.961 8.193 1.00 0.00 H new ATOM 0 HA GLU A 30 -15.364 4.521 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.413 4.953 7.274 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -17.046 3.252 7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -16.550 2.936 9.290 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.907 4.553 9.497 1.00 0.00 H new ATOM 477 N ARG A 31 -14.076 6.013 8.455 1.00 0.00 N ATOM 478 CA ARG A 31 -13.626 7.295 8.983 1.00 0.00 C ATOM 479 C ARG A 31 -12.110 7.426 8.873 1.00 0.00 C ATOM 480 O ARG A 31 -11.570 8.533 8.871 1.00 0.00 O ATOM 481 CB ARG A 31 -14.056 7.447 10.443 1.00 0.00 C ATOM 482 CG ARG A 31 -15.102 8.529 10.660 1.00 0.00 C ATOM 483 CD ARG A 31 -16.495 8.037 10.301 1.00 0.00 C ATOM 484 NE ARG A 31 -17.529 8.683 11.106 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.766 8.382 12.378 1.00 0.00 C ATOM 486 NH1 ARG A 31 -17.047 7.449 12.986 1.00 0.00 N ATOM 487 NH2 ARG A 31 -18.723 9.015 13.043 1.00 0.00 N ATOM 0 H ARG A 31 -13.676 5.200 8.924 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.086 8.086 8.390 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.451 6.495 10.798 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.179 7.674 11.050 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.085 8.849 11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.856 9.401 10.055 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.686 8.228 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.546 6.958 10.444 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.100 9.405 10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -16.310 6.961 12.477 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.231 7.219 13.963 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -19.278 9.734 12.578 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.904 8.783 14.020 1.00 0.00 H new ATOM 501 N VAL A 32 -11.427 6.289 8.781 1.00 0.00 N ATOM 502 CA VAL A 32 -9.973 6.277 8.669 1.00 0.00 C ATOM 503 C VAL A 32 -9.530 5.697 7.331 1.00 0.00 C ATOM 504 O VAL A 32 -8.828 4.687 7.283 1.00 0.00 O ATOM 505 CB VAL A 32 -9.330 5.463 9.808 1.00 0.00 C ATOM 506 CG1 VAL A 32 -7.813 5.527 9.718 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.814 5.964 11.160 1.00 0.00 C ATOM 0 H VAL A 32 -11.857 5.364 8.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.641 7.313 8.740 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.633 4.421 9.703 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.376 4.947 10.530 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.488 5.116 8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.487 6.564 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.350 5.378 11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.542 7.013 11.278 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.897 5.861 11.220 1.00 0.00 H new ATOM 517 N ASP A 33 -9.944 6.342 6.246 1.00 0.00 N ATOM 518 CA ASP A 33 -9.588 5.892 4.906 1.00 0.00 C ATOM 519 C ASP A 33 -8.671 6.899 4.220 1.00 0.00 C ATOM 520 O ASP A 33 -7.845 6.534 3.383 1.00 0.00 O ATOM 521 CB ASP A 33 -10.848 5.676 4.066 1.00 0.00 C ATOM 522 CG ASP A 33 -10.916 4.283 3.472 1.00 0.00 C ATOM 523 OD1 ASP A 33 -9.872 3.789 2.997 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.013 3.686 3.480 1.00 0.00 O ATOM 0 H ASP A 33 -10.527 7.179 6.269 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.055 4.946 4.997 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.728 5.847 4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.876 6.412 3.263 1.00 0.00 H new ATOM 529 N LYS A 34 -8.823 8.170 4.578 1.00 0.00 N ATOM 530 CA LYS A 34 -8.009 9.231 3.998 1.00 0.00 C ATOM 531 C LYS A 34 -6.583 9.181 4.538 1.00 0.00 C ATOM 532 O LYS A 34 -5.681 9.822 3.999 1.00 0.00 O ATOM 533 CB LYS A 34 -8.630 10.598 4.294 1.00 0.00 C ATOM 534 CG LYS A 34 -8.203 11.184 5.629 1.00 0.00 C ATOM 535 CD LYS A 34 -8.671 10.324 6.791 1.00 0.00 C ATOM 536 CE LYS A 34 -10.187 10.334 6.917 1.00 0.00 C ATOM 537 NZ LYS A 34 -10.637 11.067 8.133 1.00 0.00 N ATOM 0 H LYS A 34 -9.503 8.490 5.268 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.975 9.080 2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.357 11.291 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.716 10.506 4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.117 11.275 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.610 12.190 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.323 9.301 6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.226 10.688 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.622 10.798 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.555 9.309 6.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.103 10.404 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.815 11.496 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.308 11.813 7.860 1.00 0.00 H new ATOM 551 N VAL A 35 -6.387 8.414 5.606 1.00 0.00 N ATOM 552 CA VAL A 35 -5.070 8.279 6.218 1.00 0.00 C ATOM 553 C VAL A 35 -4.158 7.400 5.369 1.00 0.00 C ATOM 554 O VAL A 35 -2.933 7.497 5.452 1.00 0.00 O ATOM 555 CB VAL A 35 -5.168 7.680 7.634 1.00 0.00 C ATOM 556 CG1 VAL A 35 -3.789 7.580 8.268 1.00 0.00 C ATOM 557 CG2 VAL A 35 -6.103 8.512 8.500 1.00 0.00 C ATOM 0 H VAL A 35 -7.123 7.877 6.065 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.647 9.281 6.284 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.580 6.674 7.557 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.878 7.155 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.153 6.940 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.346 8.574 8.335 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.161 8.075 9.497 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.722 9.531 8.572 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.097 8.527 8.052 1.00 0.00 H new ATOM 567 N LEU A 36 -4.762 6.544 4.553 1.00 0.00 N ATOM 568 CA LEU A 36 -4.004 5.648 3.687 1.00 0.00 C ATOM 569 C LEU A 36 -4.154 6.050 2.223 1.00 0.00 C ATOM 570 O LEU A 36 -3.709 5.336 1.325 1.00 0.00 O ATOM 571 CB LEU A 36 -4.470 4.204 3.882 1.00 0.00 C ATOM 572 CG LEU A 36 -5.869 3.874 3.359 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.837 2.612 2.510 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.847 3.717 4.514 1.00 0.00 C ATOM 0 H LEU A 36 -5.775 6.451 4.473 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.951 5.723 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.755 3.543 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.438 3.974 4.947 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.207 4.700 2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.841 2.392 2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.168 2.761 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.479 1.777 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.837 3.482 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.514 2.910 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.892 4.646 5.082 1.00 0.00 H new ATOM 586 N ASN A 37 -4.781 7.198 1.991 1.00 0.00 N ATOM 587 CA ASN A 37 -4.987 7.696 0.636 1.00 0.00 C ATOM 588 C ASN A 37 -4.125 8.926 0.371 1.00 0.00 C ATOM 589 O ASN A 37 -3.654 9.137 -0.746 1.00 0.00 O ATOM 590 CB ASN A 37 -6.463 8.037 0.415 1.00 0.00 C ATOM 591 CG ASN A 37 -7.357 6.816 0.502 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.903 5.685 0.322 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.637 7.038 0.779 1.00 0.00 N ATOM 0 H ASN A 37 -5.155 7.801 2.724 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.693 6.911 -0.061 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.779 8.769 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.583 8.503 -0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.287 6.255 0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.970 7.992 0.921 1.00 0.00 H new ATOM 600 N GLU A 38 -3.921 9.734 1.407 1.00 0.00 N ATOM 601 CA GLU A 38 -3.115 10.943 1.285 1.00 0.00 C ATOM 602 C GLU A 38 -1.943 10.916 2.262 1.00 0.00 C ATOM 603 O GLU A 38 -0.817 11.269 1.910 1.00 0.00 O ATOM 604 CB GLU A 38 -3.975 12.184 1.537 1.00 0.00 C ATOM 605 CG GLU A 38 -5.391 12.062 1.000 1.00 0.00 C ATOM 606 CD GLU A 38 -5.892 13.351 0.379 1.00 0.00 C ATOM 607 OE1 GLU A 38 -5.430 13.695 -0.730 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.746 14.016 1.001 1.00 0.00 O ATOM 0 H GLU A 38 -4.302 9.573 2.339 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.719 10.984 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.017 12.375 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.494 13.048 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.426 11.267 0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.059 11.770 1.810 1.00 0.00 H new ATOM 615 N LYS A 39 -2.216 10.496 3.493 1.00 0.00 N ATOM 616 CA LYS A 39 -1.186 10.421 4.523 1.00 0.00 C ATOM 617 C LYS A 39 -0.238 9.256 4.260 1.00 0.00 C ATOM 618 O LYS A 39 0.837 9.172 4.856 1.00 0.00 O ATOM 619 CB LYS A 39 -1.827 10.270 5.904 1.00 0.00 C ATOM 620 CG LYS A 39 -2.102 11.594 6.596 1.00 0.00 C ATOM 621 CD LYS A 39 -3.465 11.599 7.267 1.00 0.00 C ATOM 622 CE LYS A 39 -4.558 12.045 6.307 1.00 0.00 C ATOM 623 NZ LYS A 39 -5.658 12.758 7.012 1.00 0.00 N ATOM 0 H LYS A 39 -3.143 10.202 3.802 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.611 11.347 4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.763 9.722 5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.172 9.669 6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.328 11.785 7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.051 12.404 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.692 10.600 7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.444 12.264 8.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.130 12.699 5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.962 11.176 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.163 13.369 6.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.320 12.064 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.260 13.340 7.776 1.00 0.00 H new ATOM 637 N CYS A 40 -0.641 8.361 3.365 1.00 0.00 N ATOM 638 CA CYS A 40 0.175 7.201 3.023 1.00 0.00 C ATOM 639 C CYS A 40 -0.534 6.322 1.997 1.00 0.00 C ATOM 640 O CYS A 40 -1.345 5.467 2.352 1.00 0.00 O ATOM 641 CB CYS A 40 0.491 6.387 4.278 1.00 0.00 C ATOM 642 SG CYS A 40 2.259 6.214 4.619 1.00 0.00 S ATOM 0 H CYS A 40 -1.527 8.416 2.863 1.00 0.00 H new ATOM 0 HA CYS A 40 1.107 7.559 2.586 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.011 6.859 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.053 5.394 4.174 1.00 0.00 H new ATOM 0 HG CYS A 40 2.756 7.374 4.932 1.00 0.00 H new ATOM 648 N SER A 41 -0.223 6.540 0.723 1.00 0.00 N ATOM 649 CA SER A 41 -0.834 5.772 -0.355 1.00 0.00 C ATOM 650 C SER A 41 0.196 5.427 -1.427 1.00 0.00 C ATOM 651 O SER A 41 0.221 4.309 -1.943 1.00 0.00 O ATOM 652 CB SER A 41 -1.991 6.557 -0.977 1.00 0.00 C ATOM 653 OG SER A 41 -1.552 7.814 -1.462 1.00 0.00 O ATOM 0 H SER A 41 0.448 7.242 0.412 1.00 0.00 H new ATOM 0 HA SER A 41 -1.220 4.844 0.066 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.428 5.981 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.776 6.704 -0.235 1.00 0.00 H new ATOM 0 HG SER A 41 -2.089 8.527 -1.057 1.00 0.00 H new ATOM 659 N VAL A 42 1.044 6.395 -1.757 1.00 0.00 N ATOM 660 CA VAL A 42 2.077 6.195 -2.767 1.00 0.00 C ATOM 661 C VAL A 42 3.356 5.648 -2.143 1.00 0.00 C ATOM 662 O VAL A 42 3.833 6.160 -1.130 1.00 0.00 O ATOM 663 CB VAL A 42 2.400 7.507 -3.507 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.529 8.659 -2.521 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.670 7.355 -4.330 1.00 0.00 C ATOM 0 H VAL A 42 1.037 7.326 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 42 1.686 5.471 -3.481 1.00 0.00 H new ATOM 0 HB VAL A 42 1.578 7.732 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.757 9.577 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.591 8.781 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.331 8.445 -1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.883 8.291 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.502 7.106 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.536 6.559 -5.063 1.00 0.00 H new ATOM 675 N TYR A 43 3.907 4.606 -2.755 1.00 0.00 N ATOM 676 CA TYR A 43 5.131 3.988 -2.259 1.00 0.00 C ATOM 677 C TYR A 43 6.040 3.576 -3.413 1.00 0.00 C ATOM 678 O TYR A 43 5.570 3.244 -4.502 1.00 0.00 O ATOM 679 CB TYR A 43 4.798 2.769 -1.397 1.00 0.00 C ATOM 680 CG TYR A 43 3.840 3.070 -0.267 1.00 0.00 C ATOM 681 CD1 TYR A 43 2.477 3.204 -0.502 1.00 0.00 C ATOM 682 CD2 TYR A 43 4.298 3.218 1.037 1.00 0.00 C ATOM 683 CE1 TYR A 43 1.599 3.480 0.528 1.00 0.00 C ATOM 684 CE2 TYR A 43 3.426 3.492 2.073 1.00 0.00 C ATOM 685 CZ TYR A 43 2.078 3.623 1.813 1.00 0.00 C ATOM 686 OH TYR A 43 1.206 3.896 2.842 1.00 0.00 O ATOM 0 H TYR A 43 3.526 4.171 -3.595 1.00 0.00 H new ATOM 0 HA TYR A 43 5.658 4.723 -1.650 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.367 1.993 -2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.721 2.365 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.098 3.090 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.353 3.117 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.543 3.583 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.798 3.603 3.081 1.00 0.00 H new ATOM 0 HH TYR A 43 1.683 4.362 3.560 1.00 0.00 H new ATOM 696 N THR A 44 7.346 3.599 -3.166 1.00 0.00 N ATOM 697 CA THR A 44 8.322 3.229 -4.183 1.00 0.00 C ATOM 698 C THR A 44 8.620 1.734 -4.142 1.00 0.00 C ATOM 699 O THR A 44 8.505 1.097 -3.095 1.00 0.00 O ATOM 700 CB THR A 44 9.639 4.008 -4.007 1.00 0.00 C ATOM 701 OG1 THR A 44 9.381 5.274 -3.390 1.00 0.00 O ATOM 702 CG2 THR A 44 10.324 4.223 -5.349 1.00 0.00 C ATOM 0 H THR A 44 7.752 3.870 -2.270 1.00 0.00 H new ATOM 0 HA THR A 44 7.884 3.483 -5.148 1.00 0.00 H new ATOM 0 HB THR A 44 10.300 3.421 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.224 5.762 -3.280 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.252 4.775 -5.200 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.546 3.257 -5.803 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.666 4.791 -6.007 1.00 0.00 H new ATOM 710 N VAL A 45 9.005 1.180 -5.287 1.00 0.00 N ATOM 711 CA VAL A 45 9.321 -0.240 -5.381 1.00 0.00 C ATOM 712 C VAL A 45 10.409 -0.493 -6.419 1.00 0.00 C ATOM 713 O VAL A 45 10.353 0.030 -7.531 1.00 0.00 O ATOM 714 CB VAL A 45 8.076 -1.070 -5.745 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.342 -0.444 -6.921 1.00 0.00 C ATOM 716 CG2 VAL A 45 8.465 -2.508 -6.053 1.00 0.00 C ATOM 0 H VAL A 45 9.106 1.693 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 45 9.680 -0.550 -4.400 1.00 0.00 H new ATOM 0 HB VAL A 45 7.402 -1.076 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.465 -1.044 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.029 0.566 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.006 -0.405 -7.785 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.573 -3.080 -6.308 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.159 -2.525 -6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.942 -2.951 -5.179 1.00 0.00 H new ATOM 726 N GLU A 46 11.397 -1.301 -6.047 1.00 0.00 N ATOM 727 CA GLU A 46 12.499 -1.623 -6.947 1.00 0.00 C ATOM 728 C GLU A 46 12.024 -2.516 -8.090 1.00 0.00 C ATOM 729 O GLU A 46 10.834 -2.805 -8.212 1.00 0.00 O ATOM 730 CB GLU A 46 13.627 -2.315 -6.180 1.00 0.00 C ATOM 731 CG GLU A 46 13.160 -3.491 -5.339 1.00 0.00 C ATOM 732 CD GLU A 46 14.302 -4.391 -4.909 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.370 -4.346 -5.555 1.00 0.00 O ATOM 734 OE2 GLU A 46 14.128 -5.140 -3.925 1.00 0.00 O ATOM 0 H GLU A 46 11.457 -1.744 -5.130 1.00 0.00 H new ATOM 0 HA GLU A 46 12.875 -0.691 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.378 -2.662 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.114 -1.587 -5.532 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.644 -3.118 -4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.437 -4.075 -5.908 1.00 0.00 H new ATOM 741 N SER A 47 12.963 -2.948 -8.925 1.00 0.00 N ATOM 742 CA SER A 47 12.641 -3.804 -10.060 1.00 0.00 C ATOM 743 C SER A 47 12.670 -5.276 -9.657 1.00 0.00 C ATOM 744 O SER A 47 12.424 -6.160 -10.476 1.00 0.00 O ATOM 745 CB SER A 47 13.625 -3.559 -11.206 1.00 0.00 C ATOM 746 OG SER A 47 12.993 -3.720 -12.464 1.00 0.00 O ATOM 0 H SER A 47 13.953 -2.719 -8.837 1.00 0.00 H new ATOM 0 HA SER A 47 11.634 -3.556 -10.395 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.036 -2.552 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.462 -4.252 -11.125 1.00 0.00 H new ATOM 0 HG SER A 47 13.642 -3.557 -13.180 1.00 0.00 H new ATOM 752 N GLY A 48 12.973 -5.529 -8.387 1.00 0.00 N ATOM 753 CA GLY A 48 13.029 -6.894 -7.896 1.00 0.00 C ATOM 754 C GLY A 48 12.226 -7.085 -6.625 1.00 0.00 C ATOM 755 O GLY A 48 12.792 -7.249 -5.543 1.00 0.00 O ATOM 0 H GLY A 48 13.180 -4.814 -7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.653 -7.569 -8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.068 -7.168 -7.711 1.00 0.00 H new ATOM 759 N THR A 49 10.903 -7.064 -6.753 1.00 0.00 N ATOM 760 CA THR A 49 10.022 -7.234 -5.605 1.00 0.00 C ATOM 761 C THR A 49 8.880 -8.191 -5.925 1.00 0.00 C ATOM 762 O THR A 49 8.508 -8.361 -7.086 1.00 0.00 O ATOM 763 CB THR A 49 9.433 -5.887 -5.144 1.00 0.00 C ATOM 764 OG1 THR A 49 10.333 -4.822 -5.470 1.00 0.00 O ATOM 765 CG2 THR A 49 9.170 -5.895 -3.646 1.00 0.00 C ATOM 0 H THR A 49 10.418 -6.931 -7.641 1.00 0.00 H new ATOM 0 HA THR A 49 10.628 -7.652 -4.801 1.00 0.00 H new ATOM 0 HB THR A 49 8.486 -5.734 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.603 -4.359 -4.650 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.754 -4.934 -3.344 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.462 -6.688 -3.405 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.105 -6.069 -3.113 1.00 0.00 H new ATOM 773 N GLU A 50 8.327 -8.814 -4.889 1.00 0.00 N ATOM 774 CA GLU A 50 7.227 -9.756 -5.062 1.00 0.00 C ATOM 775 C GLU A 50 5.942 -9.209 -4.447 1.00 0.00 C ATOM 776 O GLU A 50 5.978 -8.357 -3.559 1.00 0.00 O ATOM 777 CB GLU A 50 7.575 -11.104 -4.429 1.00 0.00 C ATOM 778 CG GLU A 50 8.084 -12.132 -5.426 1.00 0.00 C ATOM 779 CD GLU A 50 7.162 -13.330 -5.549 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.929 -13.137 -5.512 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.676 -14.461 -5.683 1.00 0.00 O ATOM 0 H GLU A 50 8.622 -8.684 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 50 7.067 -9.896 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.332 -10.950 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.691 -11.501 -3.930 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.195 -11.662 -6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.074 -12.470 -5.121 1.00 0.00 H new ATOM 788 N VAL A 51 4.806 -9.705 -4.927 1.00 0.00 N ATOM 789 CA VAL A 51 3.508 -9.268 -4.426 1.00 0.00 C ATOM 790 C VAL A 51 3.355 -9.592 -2.944 1.00 0.00 C ATOM 791 O VAL A 51 2.489 -9.041 -2.262 1.00 0.00 O ATOM 792 CB VAL A 51 2.354 -9.925 -5.206 1.00 0.00 C ATOM 793 CG1 VAL A 51 1.028 -9.269 -4.852 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.613 -9.849 -6.703 1.00 0.00 C ATOM 0 H VAL A 51 4.758 -10.410 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 51 3.462 -8.188 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 51 2.299 -10.976 -4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.225 -9.747 -5.413 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.841 -9.380 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.067 -8.210 -5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.788 -10.318 -7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.696 -8.805 -7.005 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.541 -10.370 -6.939 1.00 0.00 H new ATOM 804 N THR A 52 4.201 -10.490 -2.449 1.00 0.00 N ATOM 805 CA THR A 52 4.159 -10.888 -1.048 1.00 0.00 C ATOM 806 C THR A 52 5.055 -9.997 -0.196 1.00 0.00 C ATOM 807 O THR A 52 4.850 -9.868 1.011 1.00 0.00 O ATOM 808 CB THR A 52 4.594 -12.355 -0.868 1.00 0.00 C ATOM 809 OG1 THR A 52 4.661 -12.679 0.526 1.00 0.00 O ATOM 810 CG2 THR A 52 5.947 -12.602 -1.517 1.00 0.00 C ATOM 0 H THR A 52 4.924 -10.955 -2.998 1.00 0.00 H new ATOM 0 HA THR A 52 3.125 -10.779 -0.720 1.00 0.00 H new ATOM 0 HB THR A 52 3.855 -12.992 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.937 -13.613 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.233 -13.644 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.885 -12.383 -2.583 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.695 -11.956 -1.057 1.00 0.00 H new ATOM 818 N GLU A 53 6.048 -9.382 -0.832 1.00 0.00 N ATOM 819 CA GLU A 53 6.975 -8.502 -0.130 1.00 0.00 C ATOM 820 C GLU A 53 6.257 -7.262 0.394 1.00 0.00 C ATOM 821 O GLU A 53 6.624 -6.711 1.431 1.00 0.00 O ATOM 822 CB GLU A 53 8.121 -8.089 -1.056 1.00 0.00 C ATOM 823 CG GLU A 53 9.489 -8.157 -0.400 1.00 0.00 C ATOM 824 CD GLU A 53 10.465 -9.023 -1.173 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.436 -10.258 -0.988 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.256 -8.467 -1.962 1.00 0.00 O ATOM 0 H GLU A 53 6.231 -9.477 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 53 7.383 -9.050 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.117 -8.734 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.945 -7.072 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.895 -7.149 -0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.384 -8.549 0.612 1.00 0.00 H new ATOM 833 N PHE A 54 5.232 -6.828 -0.332 1.00 0.00 N ATOM 834 CA PHE A 54 4.463 -5.652 0.057 1.00 0.00 C ATOM 835 C PHE A 54 3.529 -5.974 1.221 1.00 0.00 C ATOM 836 O PHE A 54 3.045 -5.076 1.909 1.00 0.00 O ATOM 837 CB PHE A 54 3.653 -5.130 -1.131 1.00 0.00 C ATOM 838 CG PHE A 54 4.406 -5.163 -2.431 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.598 -4.472 -2.574 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.921 -5.886 -3.509 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.294 -4.502 -3.768 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.612 -5.920 -4.705 1.00 0.00 C ATOM 843 CZ PHE A 54 5.799 -5.226 -4.835 1.00 0.00 C ATOM 0 H PHE A 54 4.915 -7.273 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 54 5.163 -4.881 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.745 -5.725 -1.231 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.342 -4.106 -0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.988 -3.903 -1.743 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.992 -6.429 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.223 -3.960 -3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.224 -6.489 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.339 -5.249 -5.770 1.00 0.00 H new ATOM 853 N ALA A 55 3.280 -7.262 1.433 1.00 0.00 N ATOM 854 CA ALA A 55 2.406 -7.704 2.513 1.00 0.00 C ATOM 855 C ALA A 55 3.080 -7.531 3.870 1.00 0.00 C ATOM 856 O ALA A 55 2.457 -7.731 4.913 1.00 0.00 O ATOM 857 CB ALA A 55 2.001 -9.155 2.304 1.00 0.00 C ATOM 0 H ALA A 55 3.671 -8.018 0.871 1.00 0.00 H new ATOM 0 HA ALA A 55 1.510 -7.083 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.349 -9.472 3.118 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.472 -9.252 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.892 -9.783 2.288 1.00 0.00 H new ATOM 863 N CYS A 56 4.355 -7.158 3.849 1.00 0.00 N ATOM 864 CA CYS A 56 5.114 -6.960 5.078 1.00 0.00 C ATOM 865 C CYS A 56 5.433 -5.483 5.288 1.00 0.00 C ATOM 866 O CYS A 56 5.796 -5.065 6.388 1.00 0.00 O ATOM 867 CB CYS A 56 6.409 -7.773 5.040 1.00 0.00 C ATOM 868 SG CYS A 56 6.591 -8.937 6.412 1.00 0.00 S ATOM 0 H CYS A 56 4.884 -6.987 2.994 1.00 0.00 H new ATOM 0 HA CYS A 56 4.502 -7.304 5.912 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.451 -8.325 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 56 7.256 -7.087 5.045 1.00 0.00 H new ATOM 0 HG CYS A 56 7.715 -9.579 6.291 1.00 0.00 H new ATOM 874 N VAL A 57 5.296 -4.696 4.225 1.00 0.00 N ATOM 875 CA VAL A 57 5.570 -3.266 4.292 1.00 0.00 C ATOM 876 C VAL A 57 4.281 -2.466 4.434 1.00 0.00 C ATOM 877 O VAL A 57 4.293 -1.325 4.897 1.00 0.00 O ATOM 878 CB VAL A 57 6.328 -2.780 3.043 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.408 -2.767 1.832 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.925 -1.402 3.284 1.00 0.00 C ATOM 0 H VAL A 57 4.997 -5.025 3.307 1.00 0.00 H new ATOM 0 HA VAL A 57 6.193 -3.104 5.171 1.00 0.00 H new ATOM 0 HB VAL A 57 7.144 -3.474 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.961 -2.421 0.959 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.034 -3.774 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.569 -2.097 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.457 -1.075 2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.127 -0.695 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.619 -1.448 4.123 1.00 0.00 H new ATOM 890 N VAL A 58 3.167 -3.071 4.033 1.00 0.00 N ATOM 891 CA VAL A 58 1.868 -2.416 4.117 1.00 0.00 C ATOM 892 C VAL A 58 1.235 -2.622 5.488 1.00 0.00 C ATOM 893 O VAL A 58 0.393 -1.835 5.920 1.00 0.00 O ATOM 894 CB VAL A 58 0.904 -2.940 3.035 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.469 -2.304 3.189 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.469 -2.680 1.647 1.00 0.00 C ATOM 0 H VAL A 58 3.139 -4.015 3.647 1.00 0.00 H new ATOM 0 HA VAL A 58 2.040 -1.352 3.956 1.00 0.00 H new ATOM 0 HB VAL A 58 0.795 -4.017 3.162 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.136 -2.686 2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.875 -2.547 4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.382 -1.222 3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.775 -3.057 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.610 -1.608 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.427 -3.189 1.543 1.00 0.00 H new ATOM 906 N ALA A 59 1.648 -3.686 6.170 1.00 0.00 N ATOM 907 CA ALA A 59 1.124 -3.995 7.495 1.00 0.00 C ATOM 908 C ALA A 59 1.951 -3.319 8.583 1.00 0.00 C ATOM 909 O ALA A 59 1.529 -3.242 9.737 1.00 0.00 O ATOM 910 CB ALA A 59 1.091 -5.501 7.712 1.00 0.00 C ATOM 0 H ALA A 59 2.344 -4.348 5.827 1.00 0.00 H new ATOM 0 HA ALA A 59 0.107 -3.609 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.698 -5.717 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.451 -5.963 6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.100 -5.903 7.626 1.00 0.00 H new ATOM 916 N GLU A 60 3.130 -2.834 8.209 1.00 0.00 N ATOM 917 CA GLU A 60 4.016 -2.166 9.155 1.00 0.00 C ATOM 918 C GLU A 60 4.056 -0.663 8.896 1.00 0.00 C ATOM 919 O GLU A 60 4.754 0.078 9.587 1.00 0.00 O ATOM 920 CB GLU A 60 5.428 -2.748 9.063 1.00 0.00 C ATOM 921 CG GLU A 60 6.195 -2.293 7.833 1.00 0.00 C ATOM 922 CD GLU A 60 7.272 -1.276 8.161 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.930 -1.425 9.211 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.456 -0.331 7.365 1.00 0.00 O ATOM 0 H GLU A 60 3.494 -2.891 7.258 1.00 0.00 H new ATOM 0 HA GLU A 60 3.626 -2.334 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.987 -2.465 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.364 -3.836 9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.652 -3.159 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.499 -1.861 7.114 1.00 0.00 H new ATOM 931 N ALA A 61 3.302 -0.221 7.895 1.00 0.00 N ATOM 932 CA ALA A 61 3.249 1.193 7.545 1.00 0.00 C ATOM 933 C ALA A 61 1.834 1.742 7.688 1.00 0.00 C ATOM 934 O ALA A 61 1.616 2.764 8.340 1.00 0.00 O ATOM 935 CB ALA A 61 3.759 1.405 6.127 1.00 0.00 C ATOM 0 H ALA A 61 2.719 -0.822 7.312 1.00 0.00 H new ATOM 0 HA ALA A 61 3.893 1.737 8.236 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.714 2.465 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.790 1.059 6.056 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.139 0.842 5.429 1.00 0.00 H new ATOM 941 N VAL A 62 0.874 1.057 7.075 1.00 0.00 N ATOM 942 CA VAL A 62 -0.521 1.476 7.134 1.00 0.00 C ATOM 943 C VAL A 62 -0.979 1.659 8.577 1.00 0.00 C ATOM 944 O VAL A 62 -1.628 2.650 8.913 1.00 0.00 O ATOM 945 CB VAL A 62 -1.444 0.457 6.440 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.904 0.797 6.695 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.153 0.405 4.948 1.00 0.00 C ATOM 0 H VAL A 62 1.037 0.209 6.532 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.587 2.430 6.610 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.248 -0.529 6.860 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.540 0.066 6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.100 0.778 7.767 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.120 1.792 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.814 -0.320 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.320 1.389 4.510 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.116 0.109 4.790 1.00 0.00 H new ATOM 957 N VAL A 63 -0.637 0.697 9.427 1.00 0.00 N ATOM 958 CA VAL A 63 -1.011 0.752 10.835 1.00 0.00 C ATOM 959 C VAL A 63 -0.439 1.995 11.508 1.00 0.00 C ATOM 960 O VAL A 63 -1.119 2.659 12.290 1.00 0.00 O ATOM 961 CB VAL A 63 -0.526 -0.498 11.594 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.726 -0.325 13.092 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.247 -1.739 11.092 1.00 0.00 C ATOM 0 H VAL A 63 -0.101 -0.130 9.165 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.100 0.791 10.872 1.00 0.00 H new ATOM 0 HB VAL A 63 0.540 -0.624 11.406 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.378 -1.218 13.611 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.159 0.540 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.785 -0.173 13.303 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.892 -2.612 11.639 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.320 -1.625 11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.047 -1.871 10.029 1.00 0.00 H new ATOM 973 N LYS A 64 0.815 2.305 11.197 1.00 0.00 N ATOM 974 CA LYS A 64 1.480 3.470 11.769 1.00 0.00 C ATOM 975 C LYS A 64 0.734 4.752 11.413 1.00 0.00 C ATOM 976 O LYS A 64 0.432 5.569 12.282 1.00 0.00 O ATOM 977 CB LYS A 64 2.925 3.553 11.272 1.00 0.00 C ATOM 978 CG LYS A 64 3.617 2.204 11.185 1.00 0.00 C ATOM 979 CD LYS A 64 3.408 1.387 12.449 1.00 0.00 C ATOM 980 CE LYS A 64 4.709 0.764 12.931 1.00 0.00 C ATOM 981 NZ LYS A 64 4.523 0.002 14.197 1.00 0.00 N ATOM 0 H LYS A 64 1.392 1.765 10.552 1.00 0.00 H new ATOM 0 HA LYS A 64 1.481 3.361 12.854 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.935 4.021 10.288 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.493 4.201 11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.234 1.652 10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.684 2.352 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.997 2.024 13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.676 0.602 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.101 0.099 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.452 1.547 13.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.432 -0.407 14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.173 0.641 14.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.833 -0.761 14.045 1.00 0.00 H new ATOM 995 N THR A 65 0.437 4.921 10.128 1.00 0.00 N ATOM 996 CA THR A 65 -0.274 6.102 9.656 1.00 0.00 C ATOM 997 C THR A 65 -1.703 6.132 10.186 1.00 0.00 C ATOM 998 O THR A 65 -2.190 7.172 10.632 1.00 0.00 O ATOM 999 CB THR A 65 -0.307 6.161 8.118 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.710 5.314 7.573 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.104 7.587 7.626 1.00 0.00 C ATOM 0 H THR A 65 0.678 4.254 9.395 1.00 0.00 H new ATOM 0 HA THR A 65 0.268 6.969 10.033 1.00 0.00 H new ATOM 0 HB THR A 65 -1.285 5.814 7.785 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.114 5.748 6.793 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.131 7.603 6.536 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.897 8.224 8.018 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.862 7.957 7.970 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.371 4.985 10.135 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.746 4.879 10.611 1.00 0.00 C ATOM 1011 C LEU A 66 -3.785 4.678 12.123 1.00 0.00 C ATOM 1012 O LEU A 66 -4.392 3.728 12.616 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.460 3.720 9.913 1.00 0.00 C ATOM 1014 CG LEU A 66 -5.087 4.039 8.555 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -4.012 4.154 7.485 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -6.108 2.976 8.175 1.00 0.00 C ATOM 0 H LEU A 66 -1.983 4.115 9.769 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.260 5.811 10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.746 2.907 9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.243 3.351 10.575 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.601 4.997 8.630 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.477 4.381 6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.318 4.952 7.750 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.470 3.211 7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.544 3.220 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.618 2.004 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.895 2.942 8.928 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.136 5.580 12.851 1.00 0.00 N ATOM 1029 CA GLN A 67 -3.098 5.502 14.307 1.00 0.00 C ATOM 1030 C GLN A 67 -3.558 6.814 14.934 1.00 0.00 C ATOM 1031 O GLN A 67 -3.046 7.250 15.965 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.685 5.162 14.784 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.431 3.670 14.920 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.223 3.242 16.359 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.136 3.325 17.182 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -0.018 2.779 16.672 1.00 0.00 N ATOM 0 H GLN A 67 -2.629 6.373 12.457 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.779 4.712 14.622 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.963 5.583 14.084 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.511 5.641 15.747 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.275 3.122 14.500 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.552 3.400 14.334 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.710 2.727 15.959 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.180 2.475 17.625 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.547 7.459 14.299 1.00 0.00 N ATOM 1046 CA PRO A 68 -5.098 8.731 14.778 1.00 0.00 C ATOM 1047 C PRO A 68 -5.899 8.568 16.065 1.00 0.00 C ATOM 1048 O PRO A 68 -5.694 9.301 17.033 1.00 0.00 O ATOM 1049 CB PRO A 68 -6.012 9.175 13.633 1.00 0.00 C ATOM 1050 CG PRO A 68 -6.392 7.912 12.940 1.00 0.00 C ATOM 1051 CD PRO A 68 -5.205 6.997 13.065 1.00 0.00 C ATOM 0 HA PRO A 68 -4.314 9.449 15.020 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.890 9.700 14.008 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.497 9.858 12.957 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.277 7.468 13.396 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.632 8.098 11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.509 5.953 13.138 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.543 7.077 12.203 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.812 7.602 16.071 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.643 7.341 17.240 1.00 0.00 C ATOM 1061 C VAL A 69 -8.212 5.928 17.206 1.00 0.00 C ATOM 1062 O VAL A 69 -9.419 5.737 17.058 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.804 8.349 17.339 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -8.385 9.570 18.143 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.280 8.751 15.951 1.00 0.00 C ATOM 0 H VAL A 69 -6.995 6.987 15.278 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.002 7.449 18.115 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.634 7.870 17.858 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.218 10.270 18.202 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -8.098 9.263 19.148 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.538 10.054 17.656 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.100 9.463 16.040 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.458 9.211 15.403 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.624 7.867 15.414 1.00 0.00 H new ATOM 1075 N SER A 70 -7.335 4.939 17.345 1.00 0.00 N ATOM 1076 CA SER A 70 -7.750 3.541 17.327 1.00 0.00 C ATOM 1077 C SER A 70 -8.715 3.246 18.471 1.00 0.00 C ATOM 1078 O SER A 70 -9.430 2.244 18.452 1.00 0.00 O ATOM 1079 CB SER A 70 -6.529 2.624 17.424 1.00 0.00 C ATOM 1080 OG SER A 70 -5.326 3.359 17.284 1.00 0.00 O ATOM 0 H SER A 70 -6.333 5.080 17.471 1.00 0.00 H new ATOM 0 HA SER A 70 -8.264 3.352 16.384 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.534 2.108 18.384 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.583 1.858 16.650 1.00 0.00 H new ATOM 0 HG SER A 70 -4.614 2.921 17.795 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.728 4.125 19.466 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.605 3.961 20.620 1.00 0.00 C ATOM 1088 C ASP A 71 -11.067 3.899 20.187 1.00 0.00 C ATOM 1089 O ASP A 71 -11.916 3.369 20.904 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.402 5.109 21.610 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.932 4.625 22.968 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.780 4.154 23.065 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.717 4.719 23.935 1.00 0.00 O ATOM 0 H ASP A 71 -8.141 4.959 19.497 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.349 3.021 21.109 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.672 5.810 21.205 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.338 5.655 21.726 1.00 0.00 H new ATOM 1098 N LEU A 72 -11.353 4.446 19.010 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.713 4.454 18.481 1.00 0.00 C ATOM 1100 C LEU A 72 -12.920 3.311 17.493 1.00 0.00 C ATOM 1101 O LEU A 72 -13.984 2.692 17.458 1.00 0.00 O ATOM 1102 CB LEU A 72 -13.007 5.792 17.800 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.449 5.963 16.387 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.428 5.420 15.357 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -12.137 7.426 16.110 1.00 0.00 C ATOM 0 H LEU A 72 -10.662 4.889 18.404 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.402 4.318 19.314 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.088 5.927 17.761 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.608 6.591 18.426 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.522 5.394 16.312 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.014 5.550 14.357 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.601 4.360 15.543 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.372 5.960 15.432 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.741 7.529 15.100 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.048 8.017 16.204 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.398 7.783 16.827 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.895 3.034 16.694 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.964 1.962 15.706 1.00 0.00 C ATOM 1119 C LEU A 73 -12.366 0.644 16.360 1.00 0.00 C ATOM 1120 O LEU A 73 -13.120 -0.142 15.785 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.615 1.805 15.002 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.318 2.809 13.888 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -10.159 4.209 14.459 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.071 2.400 13.119 1.00 0.00 C ATOM 0 H LEU A 73 -11.007 3.536 16.711 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.723 2.227 14.970 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.826 1.880 15.751 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.562 0.801 14.582 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.161 2.814 13.197 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.948 4.910 13.651 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.080 4.503 14.963 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.335 4.219 15.173 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.875 3.126 12.330 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.220 2.364 13.799 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.223 1.416 12.676 1.00 0.00 H new ATOM 1136 N THR A 74 -11.859 0.409 17.566 1.00 0.00 N ATOM 1137 CA THR A 74 -12.166 -0.813 18.299 1.00 0.00 C ATOM 1138 C THR A 74 -13.633 -0.853 18.713 1.00 0.00 C ATOM 1139 O THR A 74 -14.193 -1.923 18.946 1.00 0.00 O ATOM 1140 CB THR A 74 -11.286 -0.951 19.555 1.00 0.00 C ATOM 1141 OG1 THR A 74 -10.233 0.018 19.524 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.694 -2.349 19.651 1.00 0.00 C ATOM 0 H THR A 74 -11.234 1.049 18.056 1.00 0.00 H new ATOM 0 HA THR A 74 -11.959 -1.645 17.626 1.00 0.00 H new ATOM 0 HB THR A 74 -11.912 -0.779 20.431 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.679 -0.075 20.327 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.076 -2.422 20.546 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.499 -3.082 19.705 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.082 -2.546 18.771 1.00 0.00 H new ATOM 1150 N ASN A 75 -14.250 0.321 18.801 1.00 0.00 N ATOM 1151 CA ASN A 75 -15.653 0.421 19.187 1.00 0.00 C ATOM 1152 C ASN A 75 -16.565 0.060 18.019 1.00 0.00 C ATOM 1153 O ASN A 75 -17.670 -0.444 18.214 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.969 1.835 19.678 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.034 2.286 20.783 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -14.374 1.469 21.426 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -14.972 3.593 21.009 1.00 0.00 N ATOM 0 H ASN A 75 -13.800 1.216 18.610 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.833 -0.286 19.997 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -15.901 2.531 18.842 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -16.997 1.870 20.039 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -14.360 3.956 21.740 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -15.537 4.234 20.452 1.00 0.00 H new ATOM 1164 N MET A 76 -16.093 0.321 16.804 1.00 0.00 N ATOM 1165 CA MET A 76 -16.866 0.022 15.604 1.00 0.00 C ATOM 1166 C MET A 76 -16.579 -1.393 15.111 1.00 0.00 C ATOM 1167 O MET A 76 -17.422 -2.020 14.471 1.00 0.00 O ATOM 1168 CB MET A 76 -16.547 1.033 14.501 1.00 0.00 C ATOM 1169 CG MET A 76 -15.120 0.940 13.986 1.00 0.00 C ATOM 1170 SD MET A 76 -14.888 1.806 12.421 1.00 0.00 S ATOM 1171 CE MET A 76 -14.379 3.423 13.000 1.00 0.00 C ATOM 0 H MET A 76 -15.180 0.739 16.625 1.00 0.00 H new ATOM 0 HA MET A 76 -17.924 0.092 15.857 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.235 0.881 13.670 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.723 2.040 14.880 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.441 1.356 14.731 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.851 -0.109 13.860 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.604 4.170 12.238 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.916 3.667 13.917 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.307 3.418 13.198 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.383 -1.889 15.414 1.00 0.00 N ATOM 1182 CA GLY A 77 -15.007 -3.226 14.993 1.00 0.00 C ATOM 1183 C GLY A 77 -13.543 -3.324 14.613 1.00 0.00 C ATOM 1184 O GLY A 77 -12.866 -4.289 14.970 1.00 0.00 O ATOM 0 H GLY A 77 -14.668 -1.389 15.943 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.218 -3.930 15.798 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.621 -3.522 14.142 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.054 -2.325 13.886 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.661 -2.304 13.458 1.00 0.00 C ATOM 1190 C ILE A 78 -10.717 -2.427 14.649 1.00 0.00 C ATOM 1191 O ILE A 78 -10.849 -1.704 15.636 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.329 -1.013 12.686 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.051 -0.999 11.337 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -9.826 -0.884 12.490 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -11.924 0.314 10.597 1.00 0.00 C ATOM 0 H ILE A 78 -13.602 -1.520 13.581 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.521 -3.160 12.797 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.674 -0.160 13.270 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -11.653 -1.799 10.713 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.107 -1.216 11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.608 0.033 11.943 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.334 -0.853 13.462 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.458 -1.740 11.924 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -12.460 0.251 9.650 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.349 1.115 11.202 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.872 0.523 10.405 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.764 -3.348 14.548 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.795 -3.565 15.616 1.00 0.00 C ATOM 1209 C ASP A 79 -7.392 -3.171 15.165 1.00 0.00 C ATOM 1210 O ASP A 79 -6.861 -3.723 14.201 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.811 -5.029 16.058 1.00 0.00 C ATOM 1212 CG ASP A 79 -9.052 -5.182 17.547 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.499 -4.376 18.324 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.796 -6.107 17.935 1.00 0.00 O ATOM 0 H ASP A 79 -9.642 -3.956 13.738 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.075 -2.936 16.461 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.588 -5.562 15.511 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.861 -5.495 15.797 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.798 -2.213 15.868 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.456 -1.744 15.540 1.00 0.00 C ATOM 1221 C LEU A 80 -4.409 -2.796 15.895 1.00 0.00 C ATOM 1222 O LEU A 80 -3.249 -2.691 15.496 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.155 -0.439 16.279 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.645 0.717 15.418 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.257 0.409 14.879 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.611 1.000 14.277 1.00 0.00 C ATOM 0 H LEU A 80 -7.224 -1.746 16.668 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.414 -1.564 14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.063 -0.114 16.787 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.414 -0.645 17.052 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.581 1.608 16.042 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.910 1.243 14.269 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.569 0.258 15.711 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.295 -0.495 14.271 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.231 1.826 13.675 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.708 0.111 13.654 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.587 1.266 14.684 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.828 -3.809 16.645 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.927 -4.882 17.051 1.00 0.00 C ATOM 1240 C ASP A 81 -4.090 -6.099 16.147 1.00 0.00 C ATOM 1241 O ASP A 81 -3.190 -6.932 16.045 1.00 0.00 O ATOM 1242 CB ASP A 81 -4.191 -5.274 18.506 1.00 0.00 C ATOM 1243 CG ASP A 81 -3.143 -4.721 19.453 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -2.822 -3.519 19.347 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -2.645 -5.491 20.301 1.00 0.00 O ATOM 0 H ASP A 81 -5.785 -3.910 16.984 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.904 -4.518 16.960 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.174 -4.911 18.805 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.214 -6.361 18.588 1.00 0.00 H new ATOM 1250 N GLU A 82 -5.243 -6.195 15.493 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.523 -7.312 14.599 1.00 0.00 C ATOM 1252 C GLU A 82 -5.045 -7.008 13.182 1.00 0.00 C ATOM 1253 O GLU A 82 -4.741 -7.917 12.409 1.00 0.00 O ATOM 1254 CB GLU A 82 -7.022 -7.623 14.588 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.808 -6.791 13.588 1.00 0.00 C ATOM 1256 CD GLU A 82 -9.292 -7.101 13.612 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -9.746 -7.757 14.573 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -10.000 -6.687 12.670 1.00 0.00 O ATOM 0 H GLU A 82 -5.998 -5.513 15.565 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.981 -8.183 14.968 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.164 -8.679 14.360 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.427 -7.455 15.586 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -7.658 -5.733 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.419 -6.971 12.586 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.984 -5.724 12.848 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.544 -5.299 11.524 1.00 0.00 C ATOM 1267 C TRP A 83 -3.153 -5.841 11.212 1.00 0.00 C ATOM 1268 O TRP A 83 -2.861 -6.208 10.075 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.542 -3.772 11.430 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.864 -3.201 11.013 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -7.102 -3.668 11.351 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.078 -2.058 10.177 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -8.073 -2.884 10.776 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.471 -1.889 10.052 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.229 -1.160 9.525 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.031 -0.860 9.300 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.787 -0.139 8.779 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.176 0.005 8.672 1.00 0.00 C ATOM 0 H TRP A 83 -5.234 -4.959 13.475 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.243 -5.701 10.790 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -4.264 -3.356 12.398 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.778 -3.460 10.717 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -7.290 -4.527 11.978 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -9.079 -3.021 10.873 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.157 -1.262 9.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.102 -0.748 9.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.140 0.560 8.270 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.580 0.814 8.082 1.00 0.00 H new ATOM 1289 N SER A 84 -2.299 -5.888 12.230 1.00 0.00 N ATOM 1290 CA SER A 84 -0.938 -6.382 12.063 1.00 0.00 C ATOM 1291 C SER A 84 -0.922 -7.904 11.950 1.00 0.00 C ATOM 1292 O SER A 84 -0.040 -8.481 11.314 1.00 0.00 O ATOM 1293 CB SER A 84 -0.064 -5.938 13.237 1.00 0.00 C ATOM 1294 OG SER A 84 -0.006 -6.940 14.238 1.00 0.00 O ATOM 0 H SER A 84 -2.526 -5.590 13.179 1.00 0.00 H new ATOM 0 HA SER A 84 -0.536 -5.962 11.141 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.942 -5.716 12.882 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.462 -5.017 13.663 1.00 0.00 H new ATOM 0 HG SER A 84 0.560 -6.632 14.976 1.00 0.00 H new ATOM 1300 N VAL A 85 -1.905 -8.547 12.572 1.00 0.00 N ATOM 1301 CA VAL A 85 -2.006 -10.001 12.541 1.00 0.00 C ATOM 1302 C VAL A 85 -3.230 -10.450 11.750 1.00 0.00 C ATOM 1303 O VAL A 85 -3.908 -11.406 12.125 1.00 0.00 O ATOM 1304 CB VAL A 85 -2.083 -10.589 13.962 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -0.852 -10.204 14.767 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -3.353 -10.126 14.661 1.00 0.00 C ATOM 0 H VAL A 85 -2.642 -8.084 13.103 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.105 -10.370 12.052 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.112 -11.676 13.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.925 -10.629 15.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.040 -10.589 14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.788 -9.118 14.837 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.392 -10.551 15.664 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.356 -9.038 14.727 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.222 -10.457 14.093 1.00 0.00 H new ATOM 1316 N ALA A 86 -3.506 -9.754 10.652 1.00 0.00 N ATOM 1317 CA ALA A 86 -4.647 -10.082 9.806 1.00 0.00 C ATOM 1318 C ALA A 86 -4.192 -10.536 8.423 1.00 0.00 C ATOM 1319 O ALA A 86 -2.995 -10.595 8.140 1.00 0.00 O ATOM 1320 CB ALA A 86 -5.580 -8.886 9.691 1.00 0.00 C ATOM 0 H ALA A 86 -2.955 -8.959 10.327 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.188 -10.907 10.271 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.427 -9.145 9.056 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.940 -8.609 10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.042 -8.046 9.252 1.00 0.00 H new ATOM 1326 N THR A 87 -5.155 -10.856 7.564 1.00 0.00 N ATOM 1327 CA THR A 87 -4.853 -11.306 6.211 1.00 0.00 C ATOM 1328 C THR A 87 -5.140 -10.210 5.191 1.00 0.00 C ATOM 1329 O THR A 87 -6.278 -10.038 4.753 1.00 0.00 O ATOM 1330 CB THR A 87 -5.666 -12.561 5.842 1.00 0.00 C ATOM 1331 OG1 THR A 87 -5.723 -13.454 6.960 1.00 0.00 O ATOM 1332 CG2 THR A 87 -5.050 -13.273 4.648 1.00 0.00 C ATOM 0 H THR A 87 -6.151 -10.812 7.782 1.00 0.00 H new ATOM 0 HA THR A 87 -3.791 -11.551 6.188 1.00 0.00 H new ATOM 0 HB THR A 87 -6.676 -12.248 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.243 -14.249 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.641 -14.156 4.406 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.036 -12.600 3.791 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.031 -13.574 4.890 1.00 0.00 H new ATOM 1340 N PHE A 88 -4.102 -9.471 4.815 1.00 0.00 N ATOM 1341 CA PHE A 88 -4.242 -8.391 3.845 1.00 0.00 C ATOM 1342 C PHE A 88 -4.040 -8.907 2.423 1.00 0.00 C ATOM 1343 O PHE A 88 -3.214 -9.787 2.182 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.238 -7.276 4.142 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.738 -6.268 5.137 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -4.364 -6.678 6.303 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.583 -4.911 4.906 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.826 -5.753 7.221 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.042 -3.981 5.820 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.665 -4.403 6.979 1.00 0.00 C ATOM 0 H PHE A 88 -3.154 -9.600 5.168 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.253 -7.992 3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.316 -7.719 4.518 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.990 -6.764 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.493 -7.733 6.497 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.098 -4.576 4.001 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.312 -6.086 8.126 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.914 -2.926 5.628 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.025 -3.678 7.694 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.801 -8.353 1.486 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.709 -8.759 0.088 1.00 0.00 C ATOM 1362 C TYR A 89 -4.548 -7.544 -0.822 1.00 0.00 C ATOM 1363 O TYR A 89 -4.688 -6.402 -0.383 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.952 -9.553 -0.317 1.00 0.00 C ATOM 1365 CG TYR A 89 -6.045 -10.910 0.342 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.458 -12.028 -0.239 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.721 -11.076 1.545 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.541 -13.270 0.360 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.807 -12.314 2.151 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.216 -13.408 1.555 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.301 -14.644 2.154 1.00 0.00 O ATOM 0 H TYR A 89 -5.488 -7.622 1.669 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.829 -9.393 -0.023 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.841 -8.974 -0.065 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.953 -9.683 -1.399 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.928 -11.924 -1.174 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.187 -10.222 2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.080 -14.129 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.334 -12.425 3.087 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.508 -15.173 1.927 1.00 0.00 H new ATOM 1381 N LEU A 90 -4.254 -7.800 -2.092 1.00 0.00 N ATOM 1382 CA LEU A 90 -4.075 -6.729 -3.066 1.00 0.00 C ATOM 1383 C LEU A 90 -4.749 -7.079 -4.389 1.00 0.00 C ATOM 1384 O LEU A 90 -5.150 -8.221 -4.611 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.586 -6.465 -3.293 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.717 -6.393 -2.037 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.780 -7.589 -1.967 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.928 -5.092 -2.007 1.00 0.00 C ATOM 0 H LEU A 90 -4.135 -8.739 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.541 -5.827 -2.669 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.193 -7.251 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.483 -5.526 -3.836 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.370 -6.418 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.169 -7.521 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.365 -8.508 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.133 -7.596 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.315 -5.059 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.285 -5.036 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.618 -4.248 -2.008 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.868 -6.087 -5.266 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.493 -6.289 -6.568 1.00 0.00 C ATOM 1402 C PHE A 91 -5.161 -5.140 -7.515 1.00 0.00 C ATOM 1403 O PHE A 91 -4.425 -4.220 -7.157 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.010 -6.418 -6.416 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.494 -7.840 -6.417 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.393 -8.619 -7.558 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.050 -8.397 -5.276 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.837 -9.928 -7.562 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.495 -9.706 -5.274 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.390 -10.472 -6.419 1.00 0.00 C ATOM 0 H PHE A 91 -4.540 -5.136 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.098 -7.212 -6.993 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.316 -5.939 -5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.496 -5.877 -7.228 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.962 -8.199 -8.455 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.137 -7.802 -4.379 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.752 -10.525 -8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.924 -10.129 -4.378 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.740 -11.494 -6.420 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.709 -5.200 -8.723 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.472 -4.164 -9.722 1.00 0.00 C ATOM 1422 C ASP A 92 -6.734 -3.897 -10.537 1.00 0.00 C ATOM 1423 O ASP A 92 -7.778 -4.504 -10.300 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.328 -4.573 -10.651 1.00 0.00 C ATOM 1425 CG ASP A 92 -2.966 -4.246 -10.070 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.600 -4.852 -9.041 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.267 -3.385 -10.643 1.00 0.00 O ATOM 0 H ASP A 92 -6.320 -5.955 -9.035 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.196 -3.247 -9.201 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.388 -5.643 -10.848 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.443 -4.066 -11.609 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.630 -2.983 -11.496 1.00 0.00 N ATOM 1433 CA ASP A 93 -7.763 -2.635 -12.346 1.00 0.00 C ATOM 1434 C ASP A 93 -8.117 -3.789 -13.280 1.00 0.00 C ATOM 1435 O ASP A 93 -9.161 -3.776 -13.930 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.449 -1.380 -13.162 1.00 0.00 C ATOM 1437 CG ASP A 93 -6.820 -0.286 -12.322 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -5.595 -0.347 -12.088 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -7.554 0.632 -11.900 1.00 0.00 O ATOM 0 H ASP A 93 -5.773 -2.470 -11.704 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.620 -2.436 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.775 -1.640 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.367 -1.005 -13.614 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.238 -4.784 -13.341 1.00 0.00 N ATOM 1445 CA ALA A 94 -7.458 -5.945 -14.194 1.00 0.00 C ATOM 1446 C ALA A 94 -7.972 -7.131 -13.385 1.00 0.00 C ATOM 1447 O ALA A 94 -8.125 -8.234 -13.910 1.00 0.00 O ATOM 1448 CB ALA A 94 -6.174 -6.317 -14.921 1.00 0.00 C ATOM 0 H ALA A 94 -6.367 -4.809 -12.810 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.218 -5.684 -14.931 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.353 -7.186 -15.554 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -5.849 -5.479 -15.538 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.399 -6.553 -14.192 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.237 -6.897 -12.103 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.730 -7.956 -11.243 1.00 0.00 C ATOM 1456 C GLY A 95 -7.658 -8.972 -10.900 1.00 0.00 C ATOM 1457 O GLY A 95 -7.951 -10.153 -10.714 1.00 0.00 O ATOM 0 H GLY A 95 -8.119 -5.993 -11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.121 -7.520 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.561 -8.462 -11.735 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.414 -8.512 -10.819 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.295 -9.391 -10.500 1.00 0.00 C ATOM 1463 C GLU A 96 -4.453 -8.810 -9.367 1.00 0.00 C ATOM 1464 O GLU A 96 -4.440 -7.599 -9.148 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.422 -9.612 -11.737 1.00 0.00 C ATOM 1466 CG GLU A 96 -3.818 -8.333 -12.293 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.073 -8.558 -13.594 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.051 -9.710 -14.075 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -2.510 -7.580 -14.131 1.00 0.00 O ATOM 0 H GLU A 96 -6.155 -7.537 -10.970 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.700 -10.349 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.618 -10.304 -11.485 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.021 -10.088 -12.513 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.610 -7.602 -12.454 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.136 -7.908 -11.557 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.752 -9.683 -8.651 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.909 -9.257 -7.540 1.00 0.00 C ATOM 1478 C GLU A 97 -1.490 -8.959 -8.017 1.00 0.00 C ATOM 1479 O GLU A 97 -0.555 -9.700 -7.717 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.878 -10.333 -6.452 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.615 -9.784 -5.060 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.371 -10.538 -3.983 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -4.593 -10.736 -4.143 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.738 -10.930 -2.980 1.00 0.00 O ATOM 0 H GLU A 97 -3.751 -10.689 -8.820 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.334 -8.343 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.830 -10.863 -6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.107 -11.063 -6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.546 -9.833 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.898 -8.732 -5.029 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.340 -7.869 -8.763 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.036 -7.473 -9.283 1.00 0.00 C ATOM 1493 C ASN A 98 0.420 -6.156 -8.663 1.00 0.00 C ATOM 1494 O ASN A 98 -0.248 -5.605 -7.787 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.090 -7.341 -10.806 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.184 -8.687 -11.500 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.239 -9.435 -11.198 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.681 -9.048 -12.297 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.104 -7.245 -9.021 1.00 0.00 H new ATOM 0 HA ASN A 98 0.684 -8.247 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.949 -6.731 -11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.800 -6.817 -11.154 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.475 -8.440 -12.498 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.604 -9.956 -12.756 1.00 0.00 H new ATOM 1505 N PHE A 99 1.561 -5.655 -9.124 1.00 0.00 N ATOM 1506 CA PHE A 99 2.106 -4.402 -8.615 1.00 0.00 C ATOM 1507 C PHE A 99 2.244 -3.374 -9.734 1.00 0.00 C ATOM 1508 O PHE A 99 3.340 -2.889 -10.014 1.00 0.00 O ATOM 1509 CB PHE A 99 3.467 -4.643 -7.958 1.00 0.00 C ATOM 1510 CG PHE A 99 4.377 -5.522 -8.768 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.299 -6.901 -8.667 1.00 0.00 C ATOM 1512 CD2 PHE A 99 5.309 -4.968 -9.631 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.134 -7.713 -9.412 1.00 0.00 C ATOM 1514 CE2 PHE A 99 6.146 -5.775 -10.379 1.00 0.00 C ATOM 1515 CZ PHE A 99 6.060 -7.149 -10.268 1.00 0.00 C ATOM 0 H PHE A 99 2.126 -6.097 -9.849 1.00 0.00 H new ATOM 0 HA PHE A 99 1.414 -4.010 -7.869 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.956 -3.683 -7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.314 -5.097 -6.979 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.578 -7.347 -7.999 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.382 -3.894 -9.720 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.062 -8.787 -9.325 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.867 -5.331 -11.050 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.715 -7.781 -10.849 1.00 0.00 H new ATOM 1525 N SER A 100 1.124 -3.047 -10.371 1.00 0.00 N ATOM 1526 CA SER A 100 1.119 -2.081 -11.463 1.00 0.00 C ATOM 1527 C SER A 100 1.150 -0.654 -10.925 1.00 0.00 C ATOM 1528 O SER A 100 1.372 -0.431 -9.735 1.00 0.00 O ATOM 1529 CB SER A 100 -0.116 -2.280 -12.343 1.00 0.00 C ATOM 1530 OG SER A 100 0.025 -1.606 -13.581 1.00 0.00 O ATOM 0 H SER A 100 0.208 -3.437 -10.149 1.00 0.00 H new ATOM 0 HA SER A 100 2.014 -2.244 -12.064 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.272 -3.344 -12.521 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.000 -1.911 -11.823 1.00 0.00 H new ATOM 0 HG SER A 100 -0.665 -0.914 -13.657 1.00 0.00 H new ATOM 1536 N SER A 101 0.925 0.311 -11.811 1.00 0.00 N ATOM 1537 CA SER A 101 0.930 1.718 -11.428 1.00 0.00 C ATOM 1538 C SER A 101 0.009 1.960 -10.236 1.00 0.00 C ATOM 1539 O SER A 101 0.236 2.868 -9.437 1.00 0.00 O ATOM 1540 CB SER A 101 0.497 2.591 -12.607 1.00 0.00 C ATOM 1541 OG SER A 101 1.284 2.325 -13.755 1.00 0.00 O ATOM 0 H SER A 101 0.737 0.144 -12.799 1.00 0.00 H new ATOM 0 HA SER A 101 1.946 1.987 -11.140 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.554 2.408 -12.832 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.587 3.643 -12.337 1.00 0.00 H new ATOM 0 HG SER A 101 0.986 2.894 -14.495 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.031 1.140 -10.124 1.00 0.00 N ATOM 1548 CA ARG A 102 -1.988 1.264 -9.031 1.00 0.00 C ATOM 1549 C ARG A 102 -2.560 -0.098 -8.652 1.00 0.00 C ATOM 1550 O ARG A 102 -2.954 -0.880 -9.517 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.121 2.214 -9.422 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.140 2.435 -8.317 1.00 0.00 C ATOM 1553 CD ARG A 102 -5.552 2.534 -8.872 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.860 3.880 -9.348 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.079 4.913 -8.541 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -6.024 4.754 -7.226 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -6.353 6.107 -9.050 1.00 0.00 N ATOM 0 H ARG A 102 -1.232 0.383 -10.777 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.463 1.672 -8.167 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.695 3.175 -9.709 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.630 1.816 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.086 1.614 -7.602 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -3.897 3.348 -7.774 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.670 1.824 -9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.266 2.251 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.910 4.036 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.813 3.837 -6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.192 5.548 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.396 6.233 -10.061 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.521 6.899 -8.430 1.00 0.00 H new ATOM 1571 N MET A 103 -2.603 -0.376 -7.353 1.00 0.00 N ATOM 1572 CA MET A 103 -3.128 -1.644 -6.860 1.00 0.00 C ATOM 1573 C MET A 103 -4.041 -1.424 -5.658 1.00 0.00 C ATOM 1574 O MET A 103 -3.686 -0.710 -4.719 1.00 0.00 O ATOM 1575 CB MET A 103 -1.981 -2.582 -6.478 1.00 0.00 C ATOM 1576 CG MET A 103 -0.821 -1.876 -5.795 1.00 0.00 C ATOM 1577 SD MET A 103 -0.150 -2.821 -4.414 1.00 0.00 S ATOM 1578 CE MET A 103 1.557 -3.002 -4.924 1.00 0.00 C ATOM 0 H MET A 103 -2.281 0.260 -6.623 1.00 0.00 H new ATOM 0 HA MET A 103 -3.712 -2.102 -7.659 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.363 -3.359 -5.816 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.615 -3.080 -7.376 1.00 0.00 H new ATOM 0 HG2 MET A 103 -0.031 -1.694 -6.524 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.154 -0.902 -5.436 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.824 -4.059 -4.932 1.00 0.00 H new ATOM 0 HE2 MET A 103 1.684 -2.588 -5.925 1.00 0.00 H new ATOM 0 HE3 MET A 103 2.204 -2.469 -4.227 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.217 -2.040 -5.694 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.182 -1.908 -4.608 1.00 0.00 C ATOM 1590 C TYR A 104 -5.819 -2.822 -3.442 1.00 0.00 C ATOM 1591 O TYR A 104 -5.519 -4.002 -3.633 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.591 -2.236 -5.107 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.060 -1.335 -6.228 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.454 -0.027 -5.976 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.110 -1.794 -7.539 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.884 0.799 -6.996 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.538 -0.975 -8.566 1.00 0.00 C ATOM 1598 CZ TYR A 104 -8.924 0.320 -8.290 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.351 1.140 -9.309 1.00 0.00 O ATOM 0 H TYR A 104 -5.525 -2.635 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.158 -0.876 -4.258 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.615 -3.271 -5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.290 -2.160 -4.274 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.424 0.351 -4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.809 -2.808 -7.758 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.187 1.813 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.570 -1.347 -9.579 1.00 0.00 H new ATOM 0 HH TYR A 104 -8.790 0.998 -10.100 1.00 0.00 H new ATOM 1609 N CYS A 105 -5.848 -2.270 -2.235 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.521 -3.034 -1.036 1.00 0.00 C ATOM 1611 C CYS A 105 -6.788 -3.453 -0.296 1.00 0.00 C ATOM 1612 O CYS A 105 -7.417 -2.643 0.385 1.00 0.00 O ATOM 1613 CB CYS A 105 -4.624 -2.211 -0.110 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.285 -2.999 1.482 1.00 0.00 S ATOM 0 H CYS A 105 -6.095 -1.296 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 105 -4.986 -3.933 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.678 -2.017 -0.616 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.094 -1.244 0.068 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.517 -2.228 2.193 1.00 0.00 H new ATOM 1620 N SER A 106 -7.157 -4.722 -0.437 1.00 0.00 N ATOM 1621 CA SER A 106 -8.352 -5.247 0.213 1.00 0.00 C ATOM 1622 C SER A 106 -7.980 -6.139 1.394 1.00 0.00 C ATOM 1623 O SER A 106 -6.814 -6.487 1.581 1.00 0.00 O ATOM 1624 CB SER A 106 -9.199 -6.035 -0.789 1.00 0.00 C ATOM 1625 OG SER A 106 -8.440 -6.385 -1.933 1.00 0.00 O ATOM 0 H SER A 106 -6.646 -5.406 -0.995 1.00 0.00 H new ATOM 0 HA SER A 106 -8.934 -4.404 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.584 -6.937 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.061 -5.440 -1.089 1.00 0.00 H new ATOM 0 HG SER A 106 -7.695 -6.964 -1.667 1.00 0.00 H new ATOM 1631 N PHE A 107 -8.980 -6.506 2.188 1.00 0.00 N ATOM 1632 CA PHE A 107 -8.760 -7.356 3.352 1.00 0.00 C ATOM 1633 C PHE A 107 -9.307 -8.760 3.111 1.00 0.00 C ATOM 1634 O PHE A 107 -9.228 -9.627 3.982 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.421 -6.745 4.589 1.00 0.00 C ATOM 1636 CG PHE A 107 -10.920 -6.713 4.514 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -11.670 -7.815 4.894 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -11.581 -5.581 4.064 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.050 -7.788 4.824 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -12.961 -5.548 3.993 1.00 0.00 C ATOM 1641 CZ PHE A 107 -13.696 -6.653 4.375 1.00 0.00 C ATOM 0 H PHE A 107 -9.951 -6.228 2.047 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.685 -7.427 3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.121 -7.314 5.469 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.050 -5.729 4.725 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.171 -8.704 5.249 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.011 -4.714 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.623 -8.654 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.463 -4.660 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 107 -14.774 -6.630 4.323 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.861 -8.977 1.923 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.423 -10.274 1.568 1.00 0.00 C ATOM 1653 C TYR A 108 -9.612 -10.934 0.457 1.00 0.00 C ATOM 1654 O TYR A 108 -8.938 -10.271 -0.332 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.880 -10.118 1.127 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.043 -9.343 -0.162 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.953 -7.957 -0.178 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.285 -9.998 -1.363 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.102 -7.245 -1.353 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.434 -9.295 -2.542 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.342 -7.919 -2.532 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.490 -7.214 -3.705 1.00 0.00 O ATOM 0 H TYR A 108 -9.933 -8.271 1.190 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.383 -10.913 2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.322 -11.107 1.005 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.438 -9.615 1.917 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.763 -7.427 0.744 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.358 -11.075 -1.375 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.031 -6.167 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.622 -9.820 -3.467 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.652 -7.838 -4.443 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.678 -12.272 0.393 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.957 -13.052 -0.618 1.00 0.00 C ATOM 1674 C PRO A 109 -9.531 -12.859 -2.017 1.00 0.00 C ATOM 1675 O PRO A 109 -10.617 -12.309 -2.199 1.00 0.00 O ATOM 1676 CB PRO A 109 -9.153 -14.498 -0.154 1.00 0.00 C ATOM 1677 CG PRO A 109 -10.414 -14.475 0.638 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.461 -13.126 1.301 1.00 0.00 C ATOM 0 HA PRO A 109 -7.912 -12.752 -0.696 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.231 -15.179 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.312 -14.837 0.451 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.282 -14.625 -0.005 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.424 -15.275 1.379 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.484 -12.766 1.408 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.027 -13.154 2.300 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.785 -13.322 -3.032 1.00 0.00 N ATOM 1687 CA PRO A 110 -9.201 -13.212 -4.433 1.00 0.00 C ATOM 1688 C PRO A 110 -10.384 -14.117 -4.760 1.00 0.00 C ATOM 1689 O PRO A 110 -11.355 -13.685 -5.382 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.958 -13.656 -5.208 1.00 0.00 C ATOM 1691 CG PRO A 110 -7.219 -14.541 -4.263 1.00 0.00 C ATOM 1692 CD PRO A 110 -7.480 -13.989 -2.889 1.00 0.00 C ATOM 0 HA PRO A 110 -9.537 -12.205 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.229 -14.189 -6.120 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.351 -12.801 -5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.565 -15.572 -4.342 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.152 -14.545 -4.486 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.512 -14.778 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.702 -13.289 -2.583 1.00 0.00 H new ATOM 1700 N ASP A 111 -10.296 -15.373 -4.337 1.00 0.00 N ATOM 1701 CA ASP A 111 -11.360 -16.339 -4.584 1.00 0.00 C ATOM 1702 C ASP A 111 -11.008 -17.699 -3.989 1.00 0.00 C ATOM 1703 O ASP A 111 -11.883 -18.428 -3.523 1.00 0.00 O ATOM 1704 CB ASP A 111 -11.616 -16.476 -6.085 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.999 -15.998 -6.483 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.984 -16.689 -6.151 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -13.095 -14.931 -7.125 1.00 0.00 O ATOM 0 H ASP A 111 -9.499 -15.746 -3.821 1.00 0.00 H new ATOM 0 HA ASP A 111 -12.267 -15.975 -4.101 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.866 -15.905 -6.632 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -11.497 -17.519 -6.377 1.00 0.00 H new ATOM 1712 N GLU A 112 -9.722 -18.034 -4.010 1.00 0.00 N ATOM 1713 CA GLU A 112 -9.255 -19.307 -3.475 1.00 0.00 C ATOM 1714 C GLU A 112 -9.770 -19.521 -2.054 1.00 0.00 C ATOM 1715 O GLU A 112 -10.095 -18.565 -1.351 1.00 0.00 O ATOM 1716 CB GLU A 112 -7.726 -19.363 -3.489 1.00 0.00 C ATOM 1717 CG GLU A 112 -7.167 -20.560 -4.239 1.00 0.00 C ATOM 1718 CD GLU A 112 -7.219 -20.382 -5.744 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -8.302 -20.594 -6.329 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -6.178 -20.031 -6.337 1.00 0.00 O ATOM 0 H GLU A 112 -8.985 -17.441 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.645 -20.103 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -7.342 -18.449 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -7.362 -19.387 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -6.134 -20.726 -3.932 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.729 -21.452 -3.963 1.00 0.00 H new TER 1727 GLU A 112