USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.971 F(o=-1.7,f=-0.97) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -128:sc=-0.00788 (180deg=-0.363) USER MOD Single : A 21 ASN : amide:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : A 25 THR OG1 : rot -11:sc= 0.794 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 63:sc= -0.0975 USER MOD Single : A 41 SER OG : rot -87:sc= -0.465 USER MOD Single : A 43 TYR OH : rot -112:sc= 1.28 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -43:sc= 0.0793 USER MOD Single : A 49 THR OG1 : rot -130:sc= -0.0658 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 65 THR OG1 : rot 107:sc= 1.23 USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 70 SER OG : rot -31:sc= -1.31 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 75 ASN : amide:sc= 0.339 K(o=0.34,f=-1.3!) USER MOD Single : A 76 MET CE :methyl -135:sc= -2.26! (180deg=-3.15!) USER MOD Single : A 84 SER OG : rot 180:sc= 0.00756 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.541 USER MOD Single : A 98 ASN : amide:sc= -3.56 K(o=-3.6,f=-10!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 146:sc= -1.73 (180deg=-2.8!) USER MOD Single : A 104 TYR OH : rot 141:sc= 0.68 USER MOD Single : A 105 CYS SG : rot -70:sc= -2.25! USER MOD Single : A 106 SER OG : rot 140:sc= 0.0292 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 17.934 8.359 -7.936 1.00 0.00 N ATOM 26 CA ILE A 3 18.149 7.289 -8.902 1.00 0.00 C ATOM 27 C ILE A 3 19.346 6.429 -8.512 1.00 0.00 C ATOM 28 O ILE A 3 20.352 6.935 -8.012 1.00 0.00 O ATOM 29 CB ILE A 3 18.371 7.847 -10.320 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.110 8.557 -10.816 1.00 0.00 C ATOM 31 CG2 ILE A 3 18.766 6.729 -11.273 1.00 0.00 C ATOM 32 CD1 ILE A 3 17.218 9.058 -12.239 1.00 0.00 C ATOM 0 HA ILE A 3 17.248 6.675 -8.899 1.00 0.00 H new ATOM 0 HB ILE A 3 19.183 8.573 -10.286 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.265 7.872 -10.744 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.895 9.399 -10.158 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.919 7.139 -12.271 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.689 6.264 -10.926 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.973 5.982 -11.306 1.00 0.00 H new ATOM 0 HD11 ILE A 3 16.288 9.550 -12.523 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.042 9.768 -12.313 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.402 8.217 -12.908 1.00 0.00 H new ATOM 44 N LYS A 4 19.233 5.126 -8.746 1.00 0.00 N ATOM 45 CA LYS A 4 20.308 4.194 -8.423 1.00 0.00 C ATOM 46 C LYS A 4 20.909 4.510 -7.058 1.00 0.00 C ATOM 47 O LYS A 4 20.265 5.129 -6.212 1.00 0.00 O ATOM 48 CB LYS A 4 21.397 4.248 -9.497 1.00 0.00 C ATOM 49 CG LYS A 4 21.958 2.884 -9.862 1.00 0.00 C ATOM 50 CD LYS A 4 23.472 2.922 -9.995 1.00 0.00 C ATOM 51 CE LYS A 4 23.957 1.996 -11.100 1.00 0.00 C ATOM 52 NZ LYS A 4 24.212 0.618 -10.596 1.00 0.00 N ATOM 0 H LYS A 4 18.408 4.691 -9.158 1.00 0.00 H new ATOM 0 HA LYS A 4 19.887 3.189 -8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.989 4.716 -10.393 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.210 4.884 -9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.677 2.158 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.518 2.547 -10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 4 23.794 3.942 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.929 2.632 -9.049 1.00 0.00 H new ATOM 0 HE2 LYS A 4 23.213 1.960 -11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 4 24.871 2.398 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.541 0.017 -11.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.940 0.649 -9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.333 0.224 -10.203 1.00 0.00 H new ATOM 66 N GLY A 5 22.151 4.081 -6.849 1.00 0.00 N ATOM 67 CA GLY A 5 22.819 4.329 -5.585 1.00 0.00 C ATOM 68 C GLY A 5 23.987 5.285 -5.724 1.00 0.00 C ATOM 69 O GLY A 5 24.414 5.901 -4.748 1.00 0.00 O ATOM 0 H GLY A 5 22.706 3.566 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 5 22.102 4.737 -4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.174 3.384 -5.174 1.00 0.00 H new ATOM 73 N VAL A 6 24.507 5.408 -6.941 1.00 0.00 N ATOM 74 CA VAL A 6 25.633 6.296 -7.205 1.00 0.00 C ATOM 75 C VAL A 6 25.540 6.902 -8.601 1.00 0.00 C ATOM 76 O VAL A 6 26.541 7.344 -9.166 1.00 0.00 O ATOM 77 CB VAL A 6 26.976 5.554 -7.068 1.00 0.00 C ATOM 78 CG1 VAL A 6 28.123 6.544 -6.933 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.940 4.602 -5.882 1.00 0.00 C ATOM 0 H VAL A 6 24.166 4.904 -7.760 1.00 0.00 H new ATOM 0 HA VAL A 6 25.589 7.093 -6.463 1.00 0.00 H new ATOM 0 HB VAL A 6 27.140 4.967 -7.971 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.063 6.001 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.160 7.181 -7.817 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.969 7.161 -6.048 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.897 4.086 -5.800 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.753 5.166 -4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.145 3.871 -6.027 1.00 0.00 H new ATOM 89 N THR A 7 24.331 6.921 -9.152 1.00 0.00 N ATOM 90 CA THR A 7 24.106 7.473 -10.482 1.00 0.00 C ATOM 91 C THR A 7 22.694 8.031 -10.615 1.00 0.00 C ATOM 92 O THR A 7 21.728 7.417 -10.160 1.00 0.00 O ATOM 93 CB THR A 7 24.331 6.412 -11.576 1.00 0.00 C ATOM 94 OG1 THR A 7 25.341 5.486 -11.160 1.00 0.00 O ATOM 95 CG2 THR A 7 24.745 7.065 -12.887 1.00 0.00 C ATOM 0 H THR A 7 23.492 6.560 -8.698 1.00 0.00 H new ATOM 0 HA THR A 7 24.826 8.280 -10.614 1.00 0.00 H new ATOM 0 HB THR A 7 23.393 5.880 -11.733 1.00 0.00 H new ATOM 0 HG1 THR A 7 25.477 4.814 -11.860 1.00 0.00 H new ATOM 0 HG21 THR A 7 24.898 6.296 -13.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.962 7.748 -13.217 1.00 0.00 H new ATOM 0 HG23 THR A 7 25.672 7.620 -12.740 1.00 0.00 H new ATOM 103 N PHE A 8 22.579 9.197 -11.240 1.00 0.00 N ATOM 104 CA PHE A 8 21.284 9.838 -11.432 1.00 0.00 C ATOM 105 C PHE A 8 21.330 10.819 -12.600 1.00 0.00 C ATOM 106 O PHE A 8 22.199 11.688 -12.662 1.00 0.00 O ATOM 107 CB PHE A 8 20.857 10.567 -10.156 1.00 0.00 C ATOM 108 CG PHE A 8 21.922 11.464 -9.594 1.00 0.00 C ATOM 109 CD1 PHE A 8 22.927 10.950 -8.790 1.00 0.00 C ATOM 110 CD2 PHE A 8 21.920 12.822 -9.870 1.00 0.00 C ATOM 111 CE1 PHE A 8 23.908 11.773 -8.271 1.00 0.00 C ATOM 112 CE2 PHE A 8 22.898 13.651 -9.354 1.00 0.00 C ATOM 113 CZ PHE A 8 23.894 13.125 -8.554 1.00 0.00 C ATOM 0 H PHE A 8 23.368 9.718 -11.623 1.00 0.00 H new ATOM 0 HA PHE A 8 20.554 9.062 -11.661 1.00 0.00 H new ATOM 0 HB2 PHE A 8 19.967 11.160 -10.366 1.00 0.00 H new ATOM 0 HB3 PHE A 8 20.578 9.831 -9.402 1.00 0.00 H new ATOM 0 HD1 PHE A 8 22.944 9.894 -8.566 1.00 0.00 H new ATOM 0 HD2 PHE A 8 21.144 13.238 -10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 8 24.685 11.360 -7.645 1.00 0.00 H new ATOM 0 HE2 PHE A 8 22.884 14.708 -9.576 1.00 0.00 H new ATOM 0 HZ PHE A 8 24.661 13.770 -8.150 1.00 0.00 H new ATOM 123 N GLY A 9 20.387 10.673 -13.526 1.00 0.00 N ATOM 124 CA GLY A 9 20.338 11.551 -14.680 1.00 0.00 C ATOM 125 C GLY A 9 21.248 11.088 -15.801 1.00 0.00 C ATOM 126 O GLY A 9 22.097 11.845 -16.271 1.00 0.00 O ATOM 0 H GLY A 9 19.656 9.962 -13.497 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.313 11.606 -15.047 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.623 12.559 -14.378 1.00 0.00 H new ATOM 130 N GLU A 10 21.072 9.842 -16.227 1.00 0.00 N ATOM 131 CA GLU A 10 21.887 9.279 -17.298 1.00 0.00 C ATOM 132 C GLU A 10 21.073 9.129 -18.580 1.00 0.00 C ATOM 133 O GLU A 10 21.549 9.446 -19.670 1.00 0.00 O ATOM 134 CB GLU A 10 22.453 7.921 -16.878 1.00 0.00 C ATOM 135 CG GLU A 10 23.799 8.013 -16.178 1.00 0.00 C ATOM 136 CD GLU A 10 24.936 8.306 -17.137 1.00 0.00 C ATOM 137 OE1 GLU A 10 25.380 7.372 -17.836 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.382 9.472 -17.189 1.00 0.00 O ATOM 0 H GLU A 10 20.373 9.203 -15.848 1.00 0.00 H new ATOM 0 HA GLU A 10 22.712 9.965 -17.491 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.741 7.429 -16.215 1.00 0.00 H new ATOM 0 HB3 GLU A 10 22.554 7.290 -17.761 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.757 8.795 -15.420 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.999 7.076 -15.659 1.00 0.00 H new ATOM 145 N ASP A 11 19.845 8.643 -18.440 1.00 0.00 N ATOM 146 CA ASP A 11 18.964 8.451 -19.586 1.00 0.00 C ATOM 147 C ASP A 11 17.532 8.849 -19.243 1.00 0.00 C ATOM 148 O ASP A 11 16.999 9.820 -19.781 1.00 0.00 O ATOM 149 CB ASP A 11 19.005 6.994 -20.049 1.00 0.00 C ATOM 150 CG ASP A 11 19.312 6.864 -21.528 1.00 0.00 C ATOM 151 OD1 ASP A 11 20.508 6.813 -21.883 1.00 0.00 O ATOM 152 OD2 ASP A 11 18.356 6.815 -22.331 1.00 0.00 O ATOM 0 H ASP A 11 19.437 8.375 -17.545 1.00 0.00 H new ATOM 0 HA ASP A 11 19.316 9.091 -20.395 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.759 6.455 -19.476 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.046 6.522 -19.837 1.00 0.00 H new ATOM 157 N THR A 12 16.911 8.091 -18.344 1.00 0.00 N ATOM 158 CA THR A 12 15.540 8.362 -17.931 1.00 0.00 C ATOM 159 C THR A 12 15.103 7.415 -16.820 1.00 0.00 C ATOM 160 O THR A 12 15.831 6.492 -16.455 1.00 0.00 O ATOM 161 CB THR A 12 14.561 8.234 -19.114 1.00 0.00 C ATOM 162 OG1 THR A 12 13.268 8.718 -18.734 1.00 0.00 O ATOM 163 CG2 THR A 12 14.453 6.788 -19.572 1.00 0.00 C ATOM 0 H THR A 12 17.337 7.284 -17.888 1.00 0.00 H new ATOM 0 HA THR A 12 15.519 9.387 -17.560 1.00 0.00 H new ATOM 0 HB THR A 12 14.944 8.833 -19.941 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.652 8.635 -19.492 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.756 6.722 -20.408 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.434 6.432 -19.888 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.091 6.172 -18.749 1.00 0.00 H new ATOM 171 N VAL A 13 13.909 7.649 -16.284 1.00 0.00 N ATOM 172 CA VAL A 13 13.374 6.815 -15.215 1.00 0.00 C ATOM 173 C VAL A 13 12.565 5.652 -15.778 1.00 0.00 C ATOM 174 O VAL A 13 12.185 5.656 -16.949 1.00 0.00 O ATOM 175 CB VAL A 13 12.483 7.631 -14.260 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.442 6.984 -12.884 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.977 9.067 -14.167 1.00 0.00 C ATOM 0 H VAL A 13 13.294 8.410 -16.573 1.00 0.00 H new ATOM 0 HA VAL A 13 14.227 6.425 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 13 11.469 7.644 -14.660 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.808 7.575 -12.223 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.038 5.975 -12.968 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.451 6.938 -12.473 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.336 9.629 -13.488 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.000 9.076 -13.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.950 9.526 -15.155 1.00 0.00 H new ATOM 187 N TRP A 14 12.304 4.658 -14.936 1.00 0.00 N ATOM 188 CA TRP A 14 11.539 3.488 -15.349 1.00 0.00 C ATOM 189 C TRP A 14 12.255 2.737 -16.467 1.00 0.00 C ATOM 190 O TRP A 14 11.650 1.925 -17.166 1.00 0.00 O ATOM 191 CB TRP A 14 10.141 3.903 -15.811 1.00 0.00 C ATOM 192 CG TRP A 14 9.249 4.334 -14.687 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.389 5.449 -13.910 1.00 0.00 C ATOM 194 CD2 TRP A 14 8.079 3.658 -14.213 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.378 5.505 -12.982 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.560 4.419 -13.147 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.419 2.484 -14.587 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.414 4.042 -12.453 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.281 2.112 -13.897 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.787 2.888 -12.841 1.00 0.00 C ATOM 0 H TRP A 14 12.611 4.639 -13.963 1.00 0.00 H new ATOM 0 HA TRP A 14 11.447 2.823 -14.490 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.230 4.719 -16.528 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.676 3.068 -16.335 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.179 6.179 -14.011 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.256 6.237 -12.283 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.792 1.879 -15.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.033 4.638 -11.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.763 1.207 -14.177 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.894 2.570 -12.323 1.00 0.00 H new ATOM 211 N GLU A 15 13.545 3.014 -16.629 1.00 0.00 N ATOM 212 CA GLU A 15 14.341 2.363 -17.663 1.00 0.00 C ATOM 213 C GLU A 15 15.714 1.970 -17.126 1.00 0.00 C ATOM 214 O GLU A 15 16.248 0.915 -17.468 1.00 0.00 O ATOM 215 CB GLU A 15 14.500 3.288 -18.872 1.00 0.00 C ATOM 216 CG GLU A 15 13.299 3.284 -19.804 1.00 0.00 C ATOM 217 CD GLU A 15 13.485 2.359 -20.991 1.00 0.00 C ATOM 218 OE1 GLU A 15 13.312 1.134 -20.822 1.00 0.00 O ATOM 219 OE2 GLU A 15 13.804 2.862 -22.089 1.00 0.00 O ATOM 0 H GLU A 15 14.061 3.684 -16.058 1.00 0.00 H new ATOM 0 HA GLU A 15 13.818 1.458 -17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.673 4.305 -18.520 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.386 2.990 -19.433 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.413 2.980 -19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.119 4.297 -20.163 1.00 0.00 H new ATOM 226 N VAL A 16 16.281 2.827 -16.282 1.00 0.00 N ATOM 227 CA VAL A 16 17.591 2.569 -15.697 1.00 0.00 C ATOM 228 C VAL A 16 17.536 2.639 -14.175 1.00 0.00 C ATOM 229 O VAL A 16 18.231 1.894 -13.485 1.00 0.00 O ATOM 230 CB VAL A 16 18.641 3.574 -16.208 1.00 0.00 C ATOM 231 CG1 VAL A 16 20.041 2.990 -16.088 1.00 0.00 C ATOM 232 CG2 VAL A 16 18.341 3.972 -17.645 1.00 0.00 C ATOM 0 H VAL A 16 15.853 3.705 -15.989 1.00 0.00 H new ATOM 0 HA VAL A 16 17.882 1.564 -16.002 1.00 0.00 H new ATOM 0 HB VAL A 16 18.593 4.470 -15.590 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.770 3.714 -16.454 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.251 2.760 -15.043 1.00 0.00 H new ATOM 0 HG13 VAL A 16 20.107 2.078 -16.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.092 4.682 -17.990 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.361 3.086 -18.280 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.355 4.433 -17.696 1.00 0.00 H new ATOM 242 N GLN A 17 16.704 3.538 -13.659 1.00 0.00 N ATOM 243 CA GLN A 17 16.558 3.704 -12.217 1.00 0.00 C ATOM 244 C GLN A 17 16.329 2.360 -11.535 1.00 0.00 C ATOM 245 O GLN A 17 16.916 2.073 -10.493 1.00 0.00 O ATOM 246 CB GLN A 17 15.399 4.652 -11.907 1.00 0.00 C ATOM 247 CG GLN A 17 14.765 4.413 -10.546 1.00 0.00 C ATOM 248 CD GLN A 17 13.786 5.503 -10.158 1.00 0.00 C ATOM 249 OE1 GLN A 17 12.501 5.252 -10.382 1.00 0.00 O flip ATOM 250 NE2 GLN A 17 14.179 6.560 -9.663 1.00 0.00 N flip ATOM 0 H GLN A 17 16.121 4.162 -14.217 1.00 0.00 H new ATOM 0 HA GLN A 17 17.482 4.133 -11.830 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.758 5.680 -11.956 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.636 4.544 -12.678 1.00 0.00 H new ATOM 0 HG2 GLN A 17 14.249 3.453 -10.553 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.548 4.348 -9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.176 6.711 -9.508 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.508 7.284 -9.408 1.00 0.00 H new ATOM 259 N GLY A 18 15.469 1.539 -12.130 1.00 0.00 N ATOM 260 CA GLY A 18 15.176 0.235 -11.564 1.00 0.00 C ATOM 261 C GLY A 18 14.137 0.300 -10.463 1.00 0.00 C ATOM 262 O GLY A 18 14.222 -0.430 -9.475 1.00 0.00 O ATOM 0 H GLY A 18 14.970 1.753 -12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.823 -0.429 -12.353 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.094 -0.200 -11.168 1.00 0.00 H new ATOM 266 N TYR A 19 13.154 1.178 -10.630 1.00 0.00 N ATOM 267 CA TYR A 19 12.096 1.339 -9.640 1.00 0.00 C ATOM 268 C TYR A 19 10.788 1.758 -10.304 1.00 0.00 C ATOM 269 O TYR A 19 10.776 2.219 -11.445 1.00 0.00 O ATOM 270 CB TYR A 19 12.504 2.376 -8.592 1.00 0.00 C ATOM 271 CG TYR A 19 13.499 1.854 -7.579 1.00 0.00 C ATOM 272 CD1 TYR A 19 13.155 0.835 -6.700 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.783 2.380 -7.504 1.00 0.00 C ATOM 274 CE1 TYR A 19 14.061 0.356 -5.773 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.696 1.906 -6.581 1.00 0.00 C ATOM 276 CZ TYR A 19 15.330 0.894 -5.717 1.00 0.00 C ATOM 277 OH TYR A 19 16.235 0.419 -4.797 1.00 0.00 O ATOM 0 H TYR A 19 13.068 1.789 -11.442 1.00 0.00 H new ATOM 0 HA TYR A 19 11.942 0.378 -9.150 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.933 3.242 -9.097 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.613 2.721 -8.069 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.163 0.410 -6.742 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.072 3.172 -8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.777 -0.436 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.690 2.325 -6.536 1.00 0.00 H new ATOM 0 HH TYR A 19 17.082 0.904 -4.890 1.00 0.00 H new ATOM 287 N LYS A 20 9.686 1.596 -9.579 1.00 0.00 N ATOM 288 CA LYS A 20 8.371 1.958 -10.094 1.00 0.00 C ATOM 289 C LYS A 20 7.528 2.625 -9.012 1.00 0.00 C ATOM 290 O LYS A 20 7.986 2.817 -7.886 1.00 0.00 O ATOM 291 CB LYS A 20 7.649 0.717 -10.625 1.00 0.00 C ATOM 292 CG LYS A 20 8.101 0.299 -12.014 1.00 0.00 C ATOM 293 CD LYS A 20 9.282 -0.656 -11.952 1.00 0.00 C ATOM 294 CE LYS A 20 9.158 -1.764 -12.985 1.00 0.00 C ATOM 295 NZ LYS A 20 8.589 -3.009 -12.398 1.00 0.00 N ATOM 0 H LYS A 20 9.678 1.216 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 20 8.511 2.667 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.811 -0.111 -9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.577 0.911 -10.644 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.273 -0.178 -12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.376 1.183 -12.589 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.207 -0.104 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.346 -1.092 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.524 -1.427 -13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.140 -1.978 -13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.208 -3.814 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.518 -2.905 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.643 -3.179 -12.794 1.00 0.00 H new ATOM 309 N ASN A 21 6.294 2.974 -9.361 1.00 0.00 N ATOM 310 CA ASN A 21 5.387 3.619 -8.418 1.00 0.00 C ATOM 311 C ASN A 21 4.026 2.929 -8.415 1.00 0.00 C ATOM 312 O ASN A 21 3.403 2.757 -9.462 1.00 0.00 O ATOM 313 CB ASN A 21 5.221 5.099 -8.769 1.00 0.00 C ATOM 314 CG ASN A 21 6.500 5.888 -8.568 1.00 0.00 C ATOM 315 OD1 ASN A 21 6.632 6.642 -7.604 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.450 5.717 -9.480 1.00 0.00 N ATOM 0 H ASN A 21 5.899 2.821 -10.289 1.00 0.00 H new ATOM 0 HA ASN A 21 5.819 3.536 -7.421 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.901 5.190 -9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.431 5.529 -8.153 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.333 6.221 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.297 5.081 -10.263 1.00 0.00 H new ATOM 323 N VAL A 22 3.570 2.538 -7.229 1.00 0.00 N ATOM 324 CA VAL A 22 2.282 1.869 -7.088 1.00 0.00 C ATOM 325 C VAL A 22 1.442 2.518 -5.995 1.00 0.00 C ATOM 326 O VAL A 22 1.934 2.793 -4.900 1.00 0.00 O ATOM 327 CB VAL A 22 2.459 0.373 -6.765 1.00 0.00 C ATOM 328 CG1 VAL A 22 3.232 0.196 -5.467 1.00 0.00 C ATOM 329 CG2 VAL A 22 1.106 -0.318 -6.687 1.00 0.00 C ATOM 0 H VAL A 22 4.073 2.673 -6.352 1.00 0.00 H new ATOM 0 HA VAL A 22 1.768 1.968 -8.044 1.00 0.00 H new ATOM 0 HB VAL A 22 3.032 -0.090 -7.568 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.348 -0.867 -5.254 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.216 0.656 -5.564 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.688 0.672 -4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.249 -1.374 -6.458 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.506 0.145 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.592 -0.221 -7.643 1.00 0.00 H new ATOM 339 N ARG A 23 0.171 2.762 -6.299 1.00 0.00 N ATOM 340 CA ARG A 23 -0.738 3.380 -5.341 1.00 0.00 C ATOM 341 C ARG A 23 -1.796 2.384 -4.874 1.00 0.00 C ATOM 342 O ARG A 23 -2.073 1.394 -5.552 1.00 0.00 O ATOM 343 CB ARG A 23 -1.415 4.603 -5.965 1.00 0.00 C ATOM 344 CG ARG A 23 -0.842 5.926 -5.484 1.00 0.00 C ATOM 345 CD ARG A 23 0.472 6.250 -6.178 1.00 0.00 C ATOM 346 NE ARG A 23 0.551 7.653 -6.575 1.00 0.00 N ATOM 347 CZ ARG A 23 -0.198 8.189 -7.532 1.00 0.00 C ATOM 348 NH1 ARG A 23 -1.078 7.443 -8.186 1.00 0.00 N ATOM 349 NH2 ARG A 23 -0.069 9.474 -7.836 1.00 0.00 N ATOM 0 H ARG A 23 -0.252 2.541 -7.200 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.154 3.696 -4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.319 4.548 -7.049 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.481 4.574 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.560 6.724 -5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.685 5.885 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.302 6.015 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.582 5.617 -7.059 1.00 0.00 H new ATOM 0 HE ARG A 23 1.218 8.254 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.181 6.455 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.652 7.857 -8.920 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.606 10.051 -7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.645 9.884 -8.571 1.00 0.00 H new ATOM 363 N ILE A 24 -2.382 2.653 -3.712 1.00 0.00 N ATOM 364 CA ILE A 24 -3.408 1.781 -3.155 1.00 0.00 C ATOM 365 C ILE A 24 -4.684 2.559 -2.850 1.00 0.00 C ATOM 366 O ILE A 24 -4.649 3.596 -2.187 1.00 0.00 O ATOM 367 CB ILE A 24 -2.921 1.090 -1.868 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.668 0.259 -2.152 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.023 0.216 -1.287 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.917 -0.911 -3.078 1.00 0.00 C ATOM 0 H ILE A 24 -2.164 3.468 -3.138 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.620 1.021 -3.907 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.667 1.856 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.906 0.903 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.267 -0.113 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.664 -0.266 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.891 0.833 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.305 -0.546 -2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.986 -1.455 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.656 -1.577 -2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.289 -0.545 -4.035 1.00 0.00 H new ATOM 382 N THR A 25 -5.811 2.050 -3.337 1.00 0.00 N ATOM 383 CA THR A 25 -7.099 2.696 -3.117 1.00 0.00 C ATOM 384 C THR A 25 -8.249 1.725 -3.357 1.00 0.00 C ATOM 385 O THR A 25 -8.867 1.729 -4.422 1.00 0.00 O ATOM 386 CB THR A 25 -7.277 3.921 -4.033 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.256 4.888 -3.762 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.646 4.553 -3.831 1.00 0.00 C ATOM 0 H THR A 25 -5.858 1.192 -3.887 1.00 0.00 H new ATOM 0 HA THR A 25 -7.115 3.024 -2.078 1.00 0.00 H new ATOM 0 HB THR A 25 -7.196 3.588 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.776 4.636 -2.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.749 5.416 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.422 3.824 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.750 4.872 -2.794 1.00 0.00 H new ATOM 396 N PHE A 26 -8.534 0.893 -2.360 1.00 0.00 N ATOM 397 CA PHE A 26 -9.611 -0.084 -2.463 1.00 0.00 C ATOM 398 C PHE A 26 -10.658 0.144 -1.378 1.00 0.00 C ATOM 399 O PHE A 26 -11.736 0.675 -1.643 1.00 0.00 O ATOM 400 CB PHE A 26 -9.051 -1.505 -2.358 1.00 0.00 C ATOM 401 CG PHE A 26 -10.113 -2.567 -2.327 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.726 -2.986 -3.497 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.497 -3.147 -1.129 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.703 -3.962 -3.472 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.474 -4.124 -1.098 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.077 -4.533 -2.271 1.00 0.00 C ATOM 0 H PHE A 26 -8.033 0.876 -1.471 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.089 0.040 -3.435 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.389 -1.689 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.445 -1.582 -1.456 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.437 -2.544 -4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.028 -2.832 -0.209 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.174 -4.279 -4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.766 -4.567 -0.157 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.839 -5.298 -2.250 1.00 0.00 H new ATOM 416 N GLU A 27 -10.332 -0.263 -0.155 1.00 0.00 N ATOM 417 CA GLU A 27 -11.246 -0.104 0.971 1.00 0.00 C ATOM 418 C GLU A 27 -10.637 -0.672 2.250 1.00 0.00 C ATOM 419 O GLU A 27 -10.569 -1.889 2.431 1.00 0.00 O ATOM 420 CB GLU A 27 -12.579 -0.796 0.676 1.00 0.00 C ATOM 421 CG GLU A 27 -13.784 0.118 0.821 1.00 0.00 C ATOM 422 CD GLU A 27 -14.800 -0.077 -0.287 1.00 0.00 C ATOM 423 OE1 GLU A 27 -14.987 -1.232 -0.724 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.409 0.925 -0.716 1.00 0.00 O ATOM 0 H GLU A 27 -9.443 -0.705 0.081 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.423 0.962 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.555 -1.194 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.695 -1.645 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.261 -0.066 1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.450 1.156 0.824 1.00 0.00 H new ATOM 431 N LEU A 28 -10.196 0.216 3.133 1.00 0.00 N ATOM 432 CA LEU A 28 -9.592 -0.195 4.396 1.00 0.00 C ATOM 433 C LEU A 28 -10.485 0.180 5.574 1.00 0.00 C ATOM 434 O LEU A 28 -10.889 -0.680 6.358 1.00 0.00 O ATOM 435 CB LEU A 28 -8.215 0.451 4.559 1.00 0.00 C ATOM 436 CG LEU A 28 -7.019 -0.403 4.137 1.00 0.00 C ATOM 437 CD1 LEU A 28 -6.806 -1.546 5.118 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.217 -0.938 2.726 1.00 0.00 C ATOM 0 H LEU A 28 -10.245 1.226 2.998 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.479 -1.279 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.198 1.375 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.087 0.728 5.606 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.128 0.225 4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.951 -2.143 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.618 -1.142 6.113 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.697 -2.174 5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.356 -1.543 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.118 -1.550 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.319 -0.104 2.032 1.00 0.00 H new ATOM 450 N ASP A 29 -10.791 1.467 5.692 1.00 0.00 N ATOM 451 CA ASP A 29 -11.640 1.955 6.773 1.00 0.00 C ATOM 452 C ASP A 29 -12.849 2.703 6.219 1.00 0.00 C ATOM 453 O ASP A 29 -13.015 2.819 5.005 1.00 0.00 O ATOM 454 CB ASP A 29 -10.841 2.870 7.703 1.00 0.00 C ATOM 455 CG ASP A 29 -11.285 2.755 9.148 1.00 0.00 C ATOM 456 OD1 ASP A 29 -10.809 1.834 9.843 1.00 0.00 O ATOM 457 OD2 ASP A 29 -12.109 3.587 9.584 1.00 0.00 O ATOM 0 H ASP A 29 -10.464 2.191 5.053 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.996 1.095 7.340 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.782 2.622 7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.950 3.903 7.373 1.00 0.00 H new ATOM 462 N GLU A 30 -13.689 3.207 7.117 1.00 0.00 N ATOM 463 CA GLU A 30 -14.883 3.942 6.717 1.00 0.00 C ATOM 464 C GLU A 30 -14.818 5.389 7.196 1.00 0.00 C ATOM 465 O GLU A 30 -15.413 6.281 6.591 1.00 0.00 O ATOM 466 CB GLU A 30 -16.136 3.265 7.277 1.00 0.00 C ATOM 467 CG GLU A 30 -16.099 3.062 8.782 1.00 0.00 C ATOM 468 CD GLU A 30 -17.433 3.349 9.443 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.476 3.135 8.792 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.432 3.789 10.612 1.00 0.00 O ATOM 0 H GLU A 30 -13.565 3.120 8.126 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.932 3.940 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -17.008 3.867 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.263 2.297 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.804 2.035 8.999 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.337 3.711 9.214 1.00 0.00 H new ATOM 477 N ARG A 31 -14.090 5.613 8.285 1.00 0.00 N ATOM 478 CA ARG A 31 -13.948 6.952 8.847 1.00 0.00 C ATOM 479 C ARG A 31 -12.552 7.507 8.580 1.00 0.00 C ATOM 480 O ARG A 31 -12.392 8.686 8.265 1.00 0.00 O ATOM 481 CB ARG A 31 -14.220 6.928 10.352 1.00 0.00 C ATOM 482 CG ARG A 31 -14.139 8.297 11.007 1.00 0.00 C ATOM 483 CD ARG A 31 -12.732 8.596 11.501 1.00 0.00 C ATOM 484 NE ARG A 31 -12.718 9.658 12.504 1.00 0.00 N ATOM 485 CZ ARG A 31 -12.802 10.950 12.208 1.00 0.00 C ATOM 486 NH1 ARG A 31 -12.905 11.339 10.945 1.00 0.00 N ATOM 487 NH2 ARG A 31 -12.783 11.856 13.177 1.00 0.00 N ATOM 0 H ARG A 31 -13.590 4.886 8.796 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.678 7.602 8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.211 6.509 10.527 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -13.503 6.262 10.832 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.445 9.062 10.293 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.837 8.343 11.843 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -12.297 7.691 11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.106 8.886 10.657 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.639 9.393 13.486 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.920 10.645 10.197 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.969 12.332 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.704 11.560 14.150 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.848 12.848 12.949 1.00 0.00 H new ATOM 501 N VAL A 32 -11.545 6.650 8.709 1.00 0.00 N ATOM 502 CA VAL A 32 -10.162 7.054 8.482 1.00 0.00 C ATOM 503 C VAL A 32 -9.582 6.361 7.254 1.00 0.00 C ATOM 504 O VAL A 32 -8.484 5.807 7.302 1.00 0.00 O ATOM 505 CB VAL A 32 -9.277 6.739 9.702 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.712 7.562 10.904 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.320 5.252 10.020 1.00 0.00 C ATOM 0 H VAL A 32 -11.661 5.671 8.970 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.170 8.132 8.318 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.248 7.007 9.462 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.075 7.326 11.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.625 8.623 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.748 7.328 11.149 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.689 5.046 10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.346 4.957 10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.956 4.686 9.163 1.00 0.00 H new ATOM 517 N ASP A 33 -10.326 6.398 6.154 1.00 0.00 N ATOM 518 CA ASP A 33 -9.886 5.775 4.911 1.00 0.00 C ATOM 519 C ASP A 33 -8.999 6.725 4.112 1.00 0.00 C ATOM 520 O ASP A 33 -8.000 6.311 3.523 1.00 0.00 O ATOM 521 CB ASP A 33 -11.092 5.354 4.071 1.00 0.00 C ATOM 522 CG ASP A 33 -11.820 6.540 3.468 1.00 0.00 C ATOM 523 OD1 ASP A 33 -12.181 7.462 4.228 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.029 6.545 2.237 1.00 0.00 O ATOM 0 H ASP A 33 -11.237 6.853 6.098 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.304 4.889 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.761 4.690 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.783 4.785 4.693 1.00 0.00 H new ATOM 529 N LYS A 34 -9.372 8.000 4.094 1.00 0.00 N ATOM 530 CA LYS A 34 -8.612 9.010 3.367 1.00 0.00 C ATOM 531 C LYS A 34 -7.293 9.310 4.072 1.00 0.00 C ATOM 532 O LYS A 34 -6.355 9.824 3.463 1.00 0.00 O ATOM 533 CB LYS A 34 -9.433 10.294 3.229 1.00 0.00 C ATOM 534 CG LYS A 34 -9.325 11.217 4.431 1.00 0.00 C ATOM 535 CD LYS A 34 -9.951 10.596 5.669 1.00 0.00 C ATOM 536 CE LYS A 34 -10.540 11.657 6.587 1.00 0.00 C ATOM 537 NZ LYS A 34 -12.020 11.747 6.453 1.00 0.00 N ATOM 0 H LYS A 34 -10.197 8.359 4.575 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.392 8.619 2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.106 10.831 2.339 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.480 10.031 3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.276 11.441 4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.817 12.164 4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.732 9.896 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.198 10.022 6.210 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.282 11.426 7.621 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.095 12.625 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.383 12.481 7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.266 11.992 5.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.447 10.831 6.698 1.00 0.00 H new ATOM 551 N VAL A 35 -7.228 8.985 5.360 1.00 0.00 N ATOM 552 CA VAL A 35 -6.023 9.218 6.147 1.00 0.00 C ATOM 553 C VAL A 35 -4.865 8.364 5.644 1.00 0.00 C ATOM 554 O VAL A 35 -3.707 8.602 5.992 1.00 0.00 O ATOM 555 CB VAL A 35 -6.260 8.914 7.638 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.043 9.306 8.463 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.505 9.632 8.137 1.00 0.00 C ATOM 0 H VAL A 35 -7.996 8.560 5.880 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.769 10.272 6.034 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.417 7.841 7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.229 9.084 9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.175 8.743 8.121 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.852 10.373 8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.657 9.406 9.192 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.380 10.707 8.011 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.371 9.298 7.566 1.00 0.00 H new ATOM 567 N LEU A 36 -5.183 7.370 4.822 1.00 0.00 N ATOM 568 CA LEU A 36 -4.168 6.480 4.269 1.00 0.00 C ATOM 569 C LEU A 36 -4.097 6.612 2.751 1.00 0.00 C ATOM 570 O LEU A 36 -3.282 5.960 2.099 1.00 0.00 O ATOM 571 CB LEU A 36 -4.469 5.030 4.653 1.00 0.00 C ATOM 572 CG LEU A 36 -5.589 4.347 3.868 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.020 3.279 2.947 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.614 3.743 4.818 1.00 0.00 C ATOM 0 H LEU A 36 -6.136 7.160 4.524 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.202 6.767 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.557 4.446 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.725 5.001 5.712 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.088 5.098 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.832 2.803 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.324 3.738 2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.496 2.529 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.404 3.261 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.128 3.005 5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.045 4.530 5.437 1.00 0.00 H new ATOM 586 N ASN A 37 -4.956 7.461 2.195 1.00 0.00 N ATOM 587 CA ASN A 37 -4.989 7.679 0.753 1.00 0.00 C ATOM 588 C ASN A 37 -4.443 9.059 0.399 1.00 0.00 C ATOM 589 O ASN A 37 -4.052 9.308 -0.740 1.00 0.00 O ATOM 590 CB ASN A 37 -6.419 7.535 0.228 1.00 0.00 C ATOM 591 CG ASN A 37 -7.088 8.876 -0.005 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.104 9.735 0.877 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.644 9.060 -1.196 1.00 0.00 N ATOM 0 H ASN A 37 -5.638 8.009 2.720 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.358 6.926 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.405 6.972 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.008 6.957 0.940 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.109 9.942 -1.411 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.606 8.319 -1.896 1.00 0.00 H new ATOM 600 N GLU A 38 -4.419 9.951 1.385 1.00 0.00 N ATOM 601 CA GLU A 38 -3.920 11.305 1.177 1.00 0.00 C ATOM 602 C GLU A 38 -2.644 11.544 1.979 1.00 0.00 C ATOM 603 O GLU A 38 -1.782 12.326 1.578 1.00 0.00 O ATOM 604 CB GLU A 38 -4.984 12.331 1.573 1.00 0.00 C ATOM 605 CG GLU A 38 -5.000 12.649 3.058 1.00 0.00 C ATOM 606 CD GLU A 38 -6.106 13.615 3.436 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.120 13.669 2.709 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.958 14.317 4.458 1.00 0.00 O ATOM 0 H GLU A 38 -4.739 9.760 2.335 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.690 11.421 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.814 13.252 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.965 11.956 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.122 11.724 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.038 13.074 3.345 1.00 0.00 H new ATOM 615 N LYS A 39 -2.532 10.867 3.117 1.00 0.00 N ATOM 616 CA LYS A 39 -1.362 11.003 3.977 1.00 0.00 C ATOM 617 C LYS A 39 -0.193 10.184 3.440 1.00 0.00 C ATOM 618 O LYS A 39 0.969 10.523 3.664 1.00 0.00 O ATOM 619 CB LYS A 39 -1.698 10.560 5.403 1.00 0.00 C ATOM 620 CG LYS A 39 -0.756 11.123 6.452 1.00 0.00 C ATOM 621 CD LYS A 39 -1.151 12.533 6.857 1.00 0.00 C ATOM 622 CE LYS A 39 -2.472 12.547 7.610 1.00 0.00 C ATOM 623 NZ LYS A 39 -2.643 13.793 8.408 1.00 0.00 N ATOM 0 H LYS A 39 -3.238 10.218 3.465 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.071 12.053 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.717 10.867 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.674 9.471 5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.760 10.477 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.262 11.127 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.370 12.965 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.231 13.159 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.295 12.454 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.522 11.682 8.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.555 13.764 8.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.872 13.869 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.621 14.617 7.774 1.00 0.00 H new ATOM 637 N CYS A 40 -0.509 9.106 2.730 1.00 0.00 N ATOM 638 CA CYS A 40 0.517 8.239 2.161 1.00 0.00 C ATOM 639 C CYS A 40 -0.114 7.052 1.440 1.00 0.00 C ATOM 640 O CYS A 40 -0.350 6.003 2.039 1.00 0.00 O ATOM 641 CB CYS A 40 1.461 7.742 3.257 1.00 0.00 C ATOM 642 SG CYS A 40 3.147 8.380 3.123 1.00 0.00 S ATOM 0 H CYS A 40 -1.466 8.812 2.535 1.00 0.00 H new ATOM 0 HA CYS A 40 1.088 8.820 1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.053 8.023 4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.493 6.653 3.228 1.00 0.00 H new ATOM 0 HG CYS A 40 3.134 9.673 3.261 1.00 0.00 H new ATOM 648 N SER A 41 -0.387 7.226 0.151 1.00 0.00 N ATOM 649 CA SER A 41 -0.996 6.172 -0.651 1.00 0.00 C ATOM 650 C SER A 41 -0.050 5.714 -1.757 1.00 0.00 C ATOM 651 O SER A 41 -0.316 4.734 -2.452 1.00 0.00 O ATOM 652 CB SER A 41 -2.312 6.660 -1.260 1.00 0.00 C ATOM 653 OG SER A 41 -3.272 5.619 -1.302 1.00 0.00 O ATOM 0 H SER A 41 -0.196 8.088 -0.360 1.00 0.00 H new ATOM 0 HA SER A 41 -1.199 5.324 0.003 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.700 7.493 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.133 7.035 -2.268 1.00 0.00 H new ATOM 0 HG SER A 41 -3.161 5.105 -2.129 1.00 0.00 H new ATOM 659 N VAL A 42 1.058 6.432 -1.913 1.00 0.00 N ATOM 660 CA VAL A 42 2.046 6.101 -2.933 1.00 0.00 C ATOM 661 C VAL A 42 3.255 5.402 -2.321 1.00 0.00 C ATOM 662 O VAL A 42 3.696 5.748 -1.225 1.00 0.00 O ATOM 663 CB VAL A 42 2.521 7.359 -3.684 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.896 8.458 -2.702 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.692 7.025 -4.596 1.00 0.00 C ATOM 0 H VAL A 42 1.294 7.246 -1.346 1.00 0.00 H new ATOM 0 HA VAL A 42 1.559 5.428 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 42 1.701 7.723 -4.303 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.229 9.339 -3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.028 8.716 -2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.700 8.109 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.015 7.926 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.518 6.636 -4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.384 6.274 -5.323 1.00 0.00 H new ATOM 675 N TYR A 43 3.786 4.417 -3.036 1.00 0.00 N ATOM 676 CA TYR A 43 4.943 3.667 -2.562 1.00 0.00 C ATOM 677 C TYR A 43 5.838 3.252 -3.727 1.00 0.00 C ATOM 678 O TYR A 43 5.408 3.236 -4.881 1.00 0.00 O ATOM 679 CB TYR A 43 4.492 2.429 -1.785 1.00 0.00 C ATOM 680 CG TYR A 43 3.308 2.681 -0.879 1.00 0.00 C ATOM 681 CD1 TYR A 43 2.013 2.688 -1.383 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.484 2.913 0.479 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.928 2.919 -0.559 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.405 3.143 1.310 1.00 0.00 C ATOM 685 CZ TYR A 43 1.129 3.145 0.787 1.00 0.00 C ATOM 686 OH TYR A 43 0.052 3.375 1.611 1.00 0.00 O ATOM 0 H TYR A 43 3.434 4.119 -3.946 1.00 0.00 H new ATOM 0 HA TYR A 43 5.517 4.315 -1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.236 1.640 -2.492 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.326 2.063 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.852 2.510 -2.436 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.482 2.914 0.892 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.072 2.923 -0.967 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.560 3.320 2.364 1.00 0.00 H new ATOM 0 HH TYR A 43 0.070 4.304 1.922 1.00 0.00 H new ATOM 696 N THR A 44 7.086 2.917 -3.415 1.00 0.00 N ATOM 697 CA THR A 44 8.043 2.502 -4.434 1.00 0.00 C ATOM 698 C THR A 44 8.061 0.986 -4.586 1.00 0.00 C ATOM 699 O THR A 44 7.844 0.252 -3.622 1.00 0.00 O ATOM 700 CB THR A 44 9.465 2.991 -4.100 1.00 0.00 C ATOM 701 OG1 THR A 44 9.404 4.083 -3.176 1.00 0.00 O ATOM 702 CG2 THR A 44 10.197 3.427 -5.361 1.00 0.00 C ATOM 0 H THR A 44 7.458 2.925 -2.465 1.00 0.00 H new ATOM 0 HA THR A 44 7.722 2.954 -5.373 1.00 0.00 H new ATOM 0 HB THR A 44 10.013 2.164 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.312 4.386 -2.968 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.199 3.768 -5.101 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.268 2.585 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.649 4.240 -5.837 1.00 0.00 H new ATOM 710 N VAL A 45 8.322 0.521 -5.804 1.00 0.00 N ATOM 711 CA VAL A 45 8.371 -0.909 -6.082 1.00 0.00 C ATOM 712 C VAL A 45 9.484 -1.240 -7.070 1.00 0.00 C ATOM 713 O VAL A 45 9.385 -0.932 -8.257 1.00 0.00 O ATOM 714 CB VAL A 45 7.031 -1.417 -6.648 1.00 0.00 C ATOM 715 CG1 VAL A 45 6.534 -0.496 -7.752 1.00 0.00 C ATOM 716 CG2 VAL A 45 7.174 -2.843 -7.156 1.00 0.00 C ATOM 0 H VAL A 45 8.503 1.114 -6.614 1.00 0.00 H new ATOM 0 HA VAL A 45 8.570 -1.408 -5.134 1.00 0.00 H new ATOM 0 HB VAL A 45 6.293 -1.414 -5.846 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.587 -0.871 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.391 0.508 -7.352 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.268 -0.464 -8.557 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.218 -3.186 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.926 -2.875 -7.944 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.481 -3.492 -6.336 1.00 0.00 H new ATOM 726 N GLU A 46 10.544 -1.868 -6.570 1.00 0.00 N ATOM 727 CA GLU A 46 11.677 -2.240 -7.410 1.00 0.00 C ATOM 728 C GLU A 46 11.226 -3.116 -8.575 1.00 0.00 C ATOM 729 O GLU A 46 10.045 -3.442 -8.701 1.00 0.00 O ATOM 730 CB GLU A 46 12.733 -2.976 -6.582 1.00 0.00 C ATOM 731 CG GLU A 46 14.160 -2.610 -6.953 1.00 0.00 C ATOM 732 CD GLU A 46 14.881 -3.732 -7.675 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.384 -4.649 -6.992 1.00 0.00 O ATOM 734 OE2 GLU A 46 14.943 -3.694 -8.921 1.00 0.00 O ATOM 0 H GLU A 46 10.642 -2.129 -5.589 1.00 0.00 H new ATOM 0 HA GLU A 46 12.114 -1.326 -7.813 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.573 -2.756 -5.526 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.598 -4.050 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.151 -1.723 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.711 -2.351 -6.049 1.00 0.00 H new ATOM 741 N SER A 47 12.175 -3.494 -9.425 1.00 0.00 N ATOM 742 CA SER A 47 11.876 -4.328 -10.583 1.00 0.00 C ATOM 743 C SER A 47 11.929 -5.808 -10.215 1.00 0.00 C ATOM 744 O SER A 47 11.707 -6.677 -11.056 1.00 0.00 O ATOM 745 CB SER A 47 12.863 -4.038 -11.716 1.00 0.00 C ATOM 746 OG SER A 47 12.351 -4.477 -12.963 1.00 0.00 O ATOM 0 H SER A 47 13.158 -3.236 -9.334 1.00 0.00 H new ATOM 0 HA SER A 47 10.867 -4.090 -10.919 1.00 0.00 H new ATOM 0 HB2 SER A 47 13.068 -2.968 -11.760 1.00 0.00 H new ATOM 0 HB3 SER A 47 13.811 -4.536 -11.513 1.00 0.00 H new ATOM 0 HG SER A 47 11.939 -5.360 -12.855 1.00 0.00 H new ATOM 752 N GLY A 48 12.225 -6.086 -8.948 1.00 0.00 N ATOM 753 CA GLY A 48 12.302 -7.460 -8.489 1.00 0.00 C ATOM 754 C GLY A 48 11.275 -7.773 -7.419 1.00 0.00 C ATOM 755 O GLY A 48 11.015 -8.938 -7.117 1.00 0.00 O ATOM 0 H GLY A 48 12.413 -5.384 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.156 -8.131 -9.335 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.301 -7.653 -8.097 1.00 0.00 H new ATOM 759 N THR A 49 10.688 -6.729 -6.841 1.00 0.00 N ATOM 760 CA THR A 49 9.686 -6.896 -5.796 1.00 0.00 C ATOM 761 C THR A 49 8.593 -7.865 -6.233 1.00 0.00 C ATOM 762 O THR A 49 8.215 -7.901 -7.404 1.00 0.00 O ATOM 763 CB THR A 49 9.041 -5.551 -5.415 1.00 0.00 C ATOM 764 OG1 THR A 49 9.968 -4.482 -5.639 1.00 0.00 O ATOM 765 CG2 THR A 49 8.606 -5.553 -3.957 1.00 0.00 C ATOM 0 H THR A 49 10.890 -5.758 -7.080 1.00 0.00 H new ATOM 0 HA THR A 49 10.202 -7.302 -4.926 1.00 0.00 H new ATOM 0 HB THR A 49 8.160 -5.406 -6.041 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.016 -3.917 -4.839 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.153 -4.592 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.879 -6.349 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.474 -5.719 -3.319 1.00 0.00 H new ATOM 773 N GLU A 50 8.089 -8.648 -5.285 1.00 0.00 N ATOM 774 CA GLU A 50 7.038 -9.618 -5.574 1.00 0.00 C ATOM 775 C GLU A 50 5.676 -9.091 -5.131 1.00 0.00 C ATOM 776 O GLU A 50 5.585 -8.087 -4.426 1.00 0.00 O ATOM 777 CB GLU A 50 7.335 -10.947 -4.877 1.00 0.00 C ATOM 778 CG GLU A 50 8.793 -11.367 -4.962 1.00 0.00 C ATOM 779 CD GLU A 50 9.500 -11.293 -3.623 1.00 0.00 C ATOM 780 OE1 GLU A 50 9.823 -10.169 -3.185 1.00 0.00 O ATOM 781 OE2 GLU A 50 9.731 -12.358 -3.013 1.00 0.00 O ATOM 0 H GLU A 50 8.391 -8.630 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 50 7.013 -9.779 -6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.049 -10.869 -3.828 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.715 -11.726 -5.320 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.852 -12.386 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.310 -10.728 -5.678 1.00 0.00 H new ATOM 788 N VAL A 51 4.618 -9.778 -5.552 1.00 0.00 N ATOM 789 CA VAL A 51 3.260 -9.381 -5.200 1.00 0.00 C ATOM 790 C VAL A 51 2.992 -9.598 -3.715 1.00 0.00 C ATOM 791 O VAL A 51 2.016 -9.085 -3.167 1.00 0.00 O ATOM 792 CB VAL A 51 2.217 -10.164 -6.019 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.851 -9.500 -5.918 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.656 -10.279 -7.470 1.00 0.00 C ATOM 0 H VAL A 51 4.676 -10.612 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 51 3.170 -8.320 -5.431 1.00 0.00 H new ATOM 0 HB VAL A 51 2.138 -11.170 -5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.127 -10.067 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.535 -9.475 -4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.912 -8.482 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.907 -10.835 -8.034 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.765 -9.282 -7.897 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.611 -10.802 -7.521 1.00 0.00 H new ATOM 804 N THR A 52 3.865 -10.363 -3.067 1.00 0.00 N ATOM 805 CA THR A 52 3.723 -10.650 -1.645 1.00 0.00 C ATOM 806 C THR A 52 4.478 -9.629 -0.801 1.00 0.00 C ATOM 807 O THR A 52 4.121 -9.378 0.350 1.00 0.00 O ATOM 808 CB THR A 52 4.235 -12.061 -1.303 1.00 0.00 C ATOM 809 OG1 THR A 52 4.210 -12.261 0.115 1.00 0.00 O ATOM 810 CG2 THR A 52 5.650 -12.265 -1.823 1.00 0.00 C ATOM 0 H THR A 52 4.678 -10.795 -3.505 1.00 0.00 H new ATOM 0 HA THR A 52 2.659 -10.592 -1.415 1.00 0.00 H new ATOM 0 HB THR A 52 3.580 -12.787 -1.784 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.536 -13.161 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.990 -13.269 -1.569 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.661 -12.141 -2.906 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.315 -11.531 -1.367 1.00 0.00 H new ATOM 818 N GLU A 53 5.521 -9.043 -1.380 1.00 0.00 N ATOM 819 CA GLU A 53 6.325 -8.050 -0.679 1.00 0.00 C ATOM 820 C GLU A 53 5.491 -6.819 -0.334 1.00 0.00 C ATOM 821 O GLU A 53 5.688 -6.194 0.708 1.00 0.00 O ATOM 822 CB GLU A 53 7.529 -7.641 -1.531 1.00 0.00 C ATOM 823 CG GLU A 53 8.785 -7.372 -0.720 1.00 0.00 C ATOM 824 CD GLU A 53 9.291 -5.952 -0.883 1.00 0.00 C ATOM 825 OE1 GLU A 53 8.489 -5.012 -0.700 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.488 -5.780 -1.194 1.00 0.00 O ATOM 0 H GLU A 53 5.829 -9.239 -2.333 1.00 0.00 H new ATOM 0 HA GLU A 53 6.681 -8.498 0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.736 -8.429 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.275 -6.746 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.580 -7.562 0.334 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.566 -8.069 -1.024 1.00 0.00 H new ATOM 833 N PHE A 54 4.559 -6.478 -1.217 1.00 0.00 N ATOM 834 CA PHE A 54 3.695 -5.321 -1.009 1.00 0.00 C ATOM 835 C PHE A 54 2.711 -5.576 0.130 1.00 0.00 C ATOM 836 O PHE A 54 2.197 -4.639 0.740 1.00 0.00 O ATOM 837 CB PHE A 54 2.932 -4.990 -2.293 1.00 0.00 C ATOM 838 CG PHE A 54 3.774 -5.085 -3.533 1.00 0.00 C ATOM 839 CD1 PHE A 54 4.959 -4.374 -3.638 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.381 -5.886 -4.593 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.737 -4.460 -4.777 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.155 -5.976 -5.735 1.00 0.00 C ATOM 843 CZ PHE A 54 5.334 -5.261 -5.827 1.00 0.00 C ATOM 0 H PHE A 54 4.382 -6.986 -2.084 1.00 0.00 H new ATOM 0 HA PHE A 54 4.324 -4.472 -0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.084 -5.668 -2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.527 -3.981 -2.215 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.278 -3.745 -2.820 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.460 -6.446 -4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.659 -3.902 -4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.839 -6.604 -6.554 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.939 -5.329 -6.719 1.00 0.00 H new ATOM 853 N ALA A 55 2.455 -6.849 0.408 1.00 0.00 N ATOM 854 CA ALA A 55 1.535 -7.228 1.473 1.00 0.00 C ATOM 855 C ALA A 55 2.194 -7.095 2.842 1.00 0.00 C ATOM 856 O ALA A 55 1.560 -7.324 3.872 1.00 0.00 O ATOM 857 CB ALA A 55 1.038 -8.650 1.261 1.00 0.00 C ATOM 0 H ALA A 55 2.872 -7.636 -0.089 1.00 0.00 H new ATOM 0 HA ALA A 55 0.683 -6.549 1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.352 -8.919 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.520 -8.716 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.885 -9.336 1.263 1.00 0.00 H new ATOM 863 N CYS A 56 3.470 -6.724 2.845 1.00 0.00 N ATOM 864 CA CYS A 56 4.216 -6.562 4.088 1.00 0.00 C ATOM 865 C CYS A 56 4.710 -5.127 4.242 1.00 0.00 C ATOM 866 O CYS A 56 5.333 -4.779 5.245 1.00 0.00 O ATOM 867 CB CYS A 56 5.400 -7.529 4.126 1.00 0.00 C ATOM 868 SG CYS A 56 5.545 -8.459 5.670 1.00 0.00 S ATOM 0 H CYS A 56 4.009 -6.530 2.001 1.00 0.00 H new ATOM 0 HA CYS A 56 3.546 -6.787 4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.308 -8.232 3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.320 -6.967 3.965 1.00 0.00 H new ATOM 0 HG CYS A 56 6.574 -9.251 5.605 1.00 0.00 H new ATOM 874 N VAL A 57 4.429 -4.299 3.241 1.00 0.00 N ATOM 875 CA VAL A 57 4.845 -2.902 3.265 1.00 0.00 C ATOM 876 C VAL A 57 3.644 -1.973 3.408 1.00 0.00 C ATOM 877 O VAL A 57 3.779 -0.829 3.841 1.00 0.00 O ATOM 878 CB VAL A 57 5.622 -2.526 1.989 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.682 -2.444 0.796 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.364 -1.213 2.186 1.00 0.00 C ATOM 0 H VAL A 57 3.915 -4.572 2.403 1.00 0.00 H new ATOM 0 HA VAL A 57 5.499 -2.781 4.129 1.00 0.00 H new ATOM 0 HB VAL A 57 6.357 -3.306 1.788 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.249 -2.177 -0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.201 -3.410 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.922 -1.686 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 57 6.908 -0.962 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.649 -0.422 2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.068 -1.313 3.013 1.00 0.00 H new ATOM 890 N VAL A 58 2.469 -2.474 3.040 1.00 0.00 N ATOM 891 CA VAL A 58 1.243 -1.690 3.129 1.00 0.00 C ATOM 892 C VAL A 58 0.505 -1.969 4.434 1.00 0.00 C ATOM 893 O VAL A 58 0.060 -1.046 5.116 1.00 0.00 O ATOM 894 CB VAL A 58 0.301 -1.986 1.946 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.947 -1.120 2.028 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.023 -1.772 0.624 1.00 0.00 C ATOM 0 H VAL A 58 2.340 -3.419 2.678 1.00 0.00 H new ATOM 0 HA VAL A 58 1.535 -0.640 3.098 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.006 -3.030 2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.600 -1.343 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.473 -1.328 2.960 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.663 -0.068 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.343 -1.986 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.361 -0.738 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.883 -2.439 0.567 1.00 0.00 H new ATOM 906 N ALA A 59 0.380 -3.247 4.775 1.00 0.00 N ATOM 907 CA ALA A 59 -0.302 -3.648 5.999 1.00 0.00 C ATOM 908 C ALA A 59 0.323 -2.978 7.219 1.00 0.00 C ATOM 909 O ALA A 59 -0.332 -2.807 8.247 1.00 0.00 O ATOM 910 CB ALA A 59 -0.268 -5.161 6.151 1.00 0.00 C ATOM 0 H ALA A 59 0.742 -4.023 4.221 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.341 -3.324 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.781 -5.446 7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.766 -5.624 5.299 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.767 -5.499 6.194 1.00 0.00 H new ATOM 916 N GLU A 60 1.592 -2.603 7.097 1.00 0.00 N ATOM 917 CA GLU A 60 2.304 -1.953 8.192 1.00 0.00 C ATOM 918 C GLU A 60 2.273 -0.436 8.036 1.00 0.00 C ATOM 919 O GLU A 60 1.882 0.285 8.954 1.00 0.00 O ATOM 920 CB GLU A 60 3.753 -2.442 8.248 1.00 0.00 C ATOM 921 CG GLU A 60 3.963 -3.800 7.599 1.00 0.00 C ATOM 922 CD GLU A 60 3.086 -4.878 8.205 1.00 0.00 C ATOM 923 OE1 GLU A 60 2.614 -4.687 9.345 1.00 0.00 O ATOM 924 OE2 GLU A 60 2.872 -5.913 7.540 1.00 0.00 O ATOM 0 H GLU A 60 2.148 -2.738 6.253 1.00 0.00 H new ATOM 0 HA GLU A 60 1.803 -2.215 9.124 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.394 -1.710 7.756 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.070 -2.494 9.290 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.754 -3.725 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.009 -4.089 7.700 1.00 0.00 H new ATOM 931 N ALA A 61 2.689 0.042 6.868 1.00 0.00 N ATOM 932 CA ALA A 61 2.708 1.473 6.591 1.00 0.00 C ATOM 933 C ALA A 61 1.371 2.118 6.939 1.00 0.00 C ATOM 934 O ALA A 61 1.318 3.272 7.363 1.00 0.00 O ATOM 935 CB ALA A 61 3.052 1.723 5.130 1.00 0.00 C ATOM 0 H ALA A 61 3.017 -0.541 6.098 1.00 0.00 H new ATOM 0 HA ALA A 61 3.475 1.929 7.217 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.063 2.796 4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.035 1.305 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.305 1.247 4.494 1.00 0.00 H new ATOM 941 N VAL A 62 0.291 1.364 6.758 1.00 0.00 N ATOM 942 CA VAL A 62 -1.047 1.862 7.054 1.00 0.00 C ATOM 943 C VAL A 62 -1.225 2.105 8.548 1.00 0.00 C ATOM 944 O VAL A 62 -1.853 3.081 8.959 1.00 0.00 O ATOM 945 CB VAL A 62 -2.131 0.880 6.571 1.00 0.00 C ATOM 946 CG1 VAL A 62 -2.150 0.809 5.052 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.907 -0.498 7.174 1.00 0.00 C ATOM 0 H VAL A 62 0.317 0.406 6.408 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.159 2.806 6.520 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.102 1.245 6.905 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.922 0.110 4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.362 1.797 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.179 0.468 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.682 -1.179 6.822 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.929 -0.873 6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.949 -0.431 8.261 1.00 0.00 H new ATOM 957 N VAL A 63 -0.669 1.209 9.358 1.00 0.00 N ATOM 958 CA VAL A 63 -0.765 1.326 10.808 1.00 0.00 C ATOM 959 C VAL A 63 -0.346 2.715 11.276 1.00 0.00 C ATOM 960 O VAL A 63 -1.173 3.505 11.732 1.00 0.00 O ATOM 961 CB VAL A 63 0.109 0.273 11.515 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.111 0.502 13.018 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.375 -1.130 11.182 1.00 0.00 C ATOM 0 H VAL A 63 -0.148 0.394 9.034 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.809 1.157 11.071 1.00 0.00 H new ATOM 0 HB VAL A 63 1.133 0.375 11.155 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.734 -0.252 13.500 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.508 1.494 13.234 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.908 0.428 13.399 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.253 -1.862 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.407 -1.247 11.512 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.319 -1.288 10.105 1.00 0.00 H new ATOM 973 N LYS A 64 0.945 3.008 11.161 1.00 0.00 N ATOM 974 CA LYS A 64 1.476 4.303 11.570 1.00 0.00 C ATOM 975 C LYS A 64 0.668 5.441 10.956 1.00 0.00 C ATOM 976 O LYS A 64 0.244 6.363 11.654 1.00 0.00 O ATOM 977 CB LYS A 64 2.945 4.428 11.160 1.00 0.00 C ATOM 978 CG LYS A 64 3.217 3.988 9.732 1.00 0.00 C ATOM 979 CD LYS A 64 4.503 3.185 9.631 1.00 0.00 C ATOM 980 CE LYS A 64 4.249 1.699 9.831 1.00 0.00 C ATOM 981 NZ LYS A 64 5.254 1.082 10.740 1.00 0.00 N ATOM 0 H LYS A 64 1.643 2.365 10.788 1.00 0.00 H new ATOM 0 HA LYS A 64 1.401 4.372 12.655 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.260 5.465 11.278 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.555 3.831 11.838 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.383 3.387 9.370 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.282 4.864 9.087 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.960 3.349 8.655 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.213 3.538 10.379 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.250 1.553 10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.273 1.193 8.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.046 0.069 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.205 1.198 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.213 1.547 11.669 1.00 0.00 H new ATOM 995 N THR A 65 0.455 5.370 9.646 1.00 0.00 N ATOM 996 CA THR A 65 -0.303 6.394 8.938 1.00 0.00 C ATOM 997 C THR A 65 -1.675 6.600 9.572 1.00 0.00 C ATOM 998 O THR A 65 -2.214 7.707 9.563 1.00 0.00 O ATOM 999 CB THR A 65 -0.486 6.031 7.452 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.786 5.756 6.855 1.00 0.00 O ATOM 1001 CG2 THR A 65 -1.172 7.162 6.700 1.00 0.00 C ATOM 0 H THR A 65 0.797 4.613 9.053 1.00 0.00 H new ATOM 0 HA THR A 65 0.270 7.318 9.011 1.00 0.00 H new ATOM 0 HB THR A 65 -1.114 5.142 7.392 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.877 4.791 6.708 1.00 0.00 H new ATOM 0 HG21 THR A 65 -1.291 6.883 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.152 7.349 7.139 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.565 8.065 6.769 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.233 5.527 10.122 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.543 5.590 10.761 1.00 0.00 C ATOM 1011 C LEU A 66 -3.435 5.294 12.254 1.00 0.00 C ATOM 1012 O LEU A 66 -4.013 4.325 12.747 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.503 4.599 10.101 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.575 4.650 8.575 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -5.816 3.927 8.074 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -4.562 6.092 8.088 1.00 0.00 C ATOM 0 H LEU A 66 -1.799 4.604 10.138 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.932 6.600 10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.213 3.591 10.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.503 4.773 10.498 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.698 4.144 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.850 3.974 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.783 2.885 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.706 4.403 8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.614 6.109 6.999 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.420 6.623 8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.643 6.578 8.415 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.693 6.135 12.967 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.510 5.963 14.403 1.00 0.00 C ATOM 1030 C GLN A 67 -2.857 7.245 15.153 1.00 0.00 C ATOM 1031 O GLN A 67 -2.230 7.597 16.152 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.069 5.552 14.710 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.844 4.049 14.673 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.126 3.536 15.906 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -0.771 2.633 16.635 1.00 0.00 O flip ATOM 1036 NE2 GLN A 67 0.997 3.946 16.199 1.00 0.00 N flip ATOM 0 H GLN A 67 -2.209 6.942 12.574 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.184 5.174 14.738 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.403 6.029 13.991 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.795 5.928 15.696 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.805 3.544 14.580 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.263 3.794 13.787 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.456 4.641 15.610 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.469 3.591 17.031 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.879 7.961 14.661 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.332 9.215 15.270 1.00 0.00 C ATOM 1047 C PRO A 68 -5.008 8.994 16.618 1.00 0.00 C ATOM 1048 O PRO A 68 -4.676 9.650 17.606 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.336 9.761 14.251 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.829 8.559 13.524 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.671 7.601 13.473 1.00 0.00 C ATOM 0 HA PRO A 68 -3.502 9.891 15.476 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.153 10.288 14.744 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.864 10.469 13.570 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.681 8.114 14.038 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.164 8.820 12.520 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.005 6.564 13.512 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.094 7.716 12.555 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.958 8.065 16.654 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.680 7.756 17.882 1.00 0.00 C ATOM 1061 C VAL A 69 -7.250 6.343 17.844 1.00 0.00 C ATOM 1062 O VAL A 69 -8.466 6.153 17.812 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.828 8.754 18.125 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.295 10.046 18.726 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.577 9.029 16.829 1.00 0.00 C ATOM 0 H VAL A 69 -6.246 7.513 15.846 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.962 7.833 18.699 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.526 8.312 18.836 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.121 10.738 18.890 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.807 9.831 19.677 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.575 10.496 18.042 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.385 9.736 17.019 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.891 9.451 16.095 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.993 8.098 16.444 1.00 0.00 H new ATOM 1075 N SER A 70 -6.363 5.353 17.849 1.00 0.00 N ATOM 1076 CA SER A 70 -6.777 3.955 17.812 1.00 0.00 C ATOM 1077 C SER A 70 -7.349 3.522 19.159 1.00 0.00 C ATOM 1078 O SER A 70 -7.879 2.419 19.294 1.00 0.00 O ATOM 1079 CB SER A 70 -5.595 3.061 17.435 1.00 0.00 C ATOM 1080 OG SER A 70 -5.150 3.332 16.117 1.00 0.00 O ATOM 0 H SER A 70 -5.353 5.493 17.878 1.00 0.00 H new ATOM 0 HA SER A 70 -7.556 3.852 17.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.777 3.219 18.138 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.887 2.014 17.515 1.00 0.00 H new ATOM 0 HG SER A 70 -5.909 3.620 15.568 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.235 4.398 20.151 1.00 0.00 N ATOM 1087 CA ASP A 71 -7.741 4.108 21.488 1.00 0.00 C ATOM 1088 C ASP A 71 -9.267 4.091 21.500 1.00 0.00 C ATOM 1089 O ASP A 71 -9.885 3.541 22.412 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.222 5.141 22.488 1.00 0.00 C ATOM 1091 CG ASP A 71 -5.978 4.669 23.216 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -5.346 3.701 22.744 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -5.637 5.268 24.257 1.00 0.00 O ATOM 0 H ASP A 71 -6.797 5.314 20.055 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.383 3.121 21.779 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.002 6.071 21.964 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.003 5.362 23.215 1.00 0.00 H new ATOM 1098 N LEU A 72 -9.868 4.699 20.483 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.321 4.755 20.377 1.00 0.00 C ATOM 1100 C LEU A 72 -11.846 3.641 19.477 1.00 0.00 C ATOM 1101 O LEU A 72 -12.887 3.044 19.752 1.00 0.00 O ATOM 1102 CB LEU A 72 -11.760 6.115 19.831 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.560 6.333 18.331 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.786 5.873 17.557 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.261 7.797 18.040 1.00 0.00 C ATOM 0 H LEU A 72 -9.371 5.160 19.721 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.738 4.618 21.375 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.817 6.252 20.060 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.215 6.892 20.367 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.707 5.737 18.007 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.626 6.036 16.491 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.955 4.812 17.741 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.657 6.441 17.884 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.121 7.934 16.968 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.094 8.413 18.379 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.353 8.094 18.565 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.116 3.363 18.402 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.506 2.318 17.462 1.00 0.00 C ATOM 1119 C LEU A 73 -11.748 0.998 18.185 1.00 0.00 C ATOM 1120 O LEU A 73 -12.713 0.288 17.899 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.426 2.137 16.394 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.426 3.160 15.258 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.999 4.527 15.771 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.515 2.704 14.128 1.00 0.00 C ATOM 0 H LEU A 73 -10.251 3.847 18.160 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.436 2.624 16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.452 2.167 16.882 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.535 1.143 15.961 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.441 3.241 14.868 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.005 5.242 14.949 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.692 4.858 16.545 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.994 4.462 16.188 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.528 3.445 13.329 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.498 2.593 14.503 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.866 1.747 13.741 1.00 0.00 H new ATOM 1136 N THR A 74 -10.867 0.674 19.127 1.00 0.00 N ATOM 1137 CA THR A 74 -10.986 -0.560 19.893 1.00 0.00 C ATOM 1138 C THR A 74 -12.310 -0.615 20.646 1.00 0.00 C ATOM 1139 O THR A 74 -12.771 -1.688 21.032 1.00 0.00 O ATOM 1140 CB THR A 74 -9.829 -0.710 20.899 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.728 0.117 20.507 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.375 -2.159 20.989 1.00 0.00 C ATOM 0 H THR A 74 -10.063 1.250 19.377 1.00 0.00 H new ATOM 0 HA THR A 74 -10.945 -1.381 19.178 1.00 0.00 H new ATOM 0 HB THR A 74 -10.187 -0.396 21.880 1.00 0.00 H new ATOM 0 HG1 THR A 74 -7.998 0.017 21.153 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.557 -2.240 21.705 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.208 -2.781 21.317 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.034 -2.495 20.010 1.00 0.00 H new ATOM 1150 N ASN A 75 -12.917 0.549 20.851 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.190 0.633 21.558 1.00 0.00 C ATOM 1152 C ASN A 75 -15.350 0.270 20.636 1.00 0.00 C ATOM 1153 O ASN A 75 -16.371 -0.251 21.083 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.392 2.042 22.121 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.590 2.742 21.509 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -16.737 2.383 21.777 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.329 3.747 20.681 1.00 0.00 N ATOM 0 H ASN A 75 -12.548 1.447 20.538 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.168 -0.081 22.382 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.522 1.984 23.202 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.496 2.635 21.939 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.095 4.255 20.239 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.363 4.011 20.488 1.00 0.00 H new ATOM 1164 N MET A 76 -15.184 0.548 19.347 1.00 0.00 N ATOM 1165 CA MET A 76 -16.216 0.249 18.362 1.00 0.00 C ATOM 1166 C MET A 76 -16.012 -1.140 17.765 1.00 0.00 C ATOM 1167 O MET A 76 -16.898 -1.677 17.102 1.00 0.00 O ATOM 1168 CB MET A 76 -16.210 1.300 17.250 1.00 0.00 C ATOM 1169 CG MET A 76 -14.960 1.264 16.386 1.00 0.00 C ATOM 1170 SD MET A 76 -15.181 2.111 14.810 1.00 0.00 S ATOM 1171 CE MET A 76 -14.237 3.607 15.095 1.00 0.00 C ATOM 0 H MET A 76 -14.345 0.980 18.961 1.00 0.00 H new ATOM 0 HA MET A 76 -17.182 0.270 18.867 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.084 1.151 16.616 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.305 2.290 17.696 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.134 1.724 16.929 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.681 0.227 16.201 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.805 4.468 14.743 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.039 3.714 16.161 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.292 3.550 14.554 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.838 -1.716 18.006 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.540 -3.037 17.485 1.00 0.00 C ATOM 1183 C GLY A 77 -13.202 -3.092 16.774 1.00 0.00 C ATOM 1184 O GLY A 77 -12.411 -4.009 16.996 1.00 0.00 O ATOM 0 H GLY A 77 -14.089 -1.291 18.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.542 -3.756 18.304 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.328 -3.338 16.794 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.949 -2.108 15.917 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.697 -2.049 15.172 1.00 0.00 C ATOM 1190 C ILE A 78 -10.499 -1.991 16.113 1.00 0.00 C ATOM 1191 O ILE A 78 -10.420 -1.123 16.982 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.658 -0.828 14.234 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.807 -0.896 13.225 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.319 -0.754 13.516 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.158 0.445 12.619 1.00 0.00 C ATOM 0 H ILE A 78 -13.593 -1.342 15.722 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.642 -2.959 14.574 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.777 0.075 14.832 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.538 -1.588 12.426 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.689 -1.305 13.718 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.307 0.114 12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.517 -0.664 14.249 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.172 -1.659 12.927 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.980 0.322 11.914 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.458 1.134 13.409 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.289 0.847 12.097 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.567 -2.921 15.932 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.370 -2.974 16.764 1.00 0.00 C ATOM 1209 C ASP A 79 -7.112 -3.029 15.902 1.00 0.00 C ATOM 1210 O ASP A 79 -6.805 -4.057 15.297 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.421 -4.190 17.690 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.654 -3.968 18.979 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.863 -3.004 19.039 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.843 -4.759 19.927 1.00 0.00 O ATOM 0 H ASP A 79 -9.617 -3.647 15.218 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.336 -2.067 17.368 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.460 -4.422 17.924 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.011 -5.056 17.171 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.388 -1.916 15.850 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.164 -1.836 15.062 1.00 0.00 C ATOM 1221 C LEU A 80 -4.247 -3.018 15.358 1.00 0.00 C ATOM 1222 O LEU A 80 -3.503 -3.473 14.489 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.432 -0.524 15.351 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.102 0.343 14.136 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -5.299 1.199 13.750 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -2.888 1.216 14.417 1.00 0.00 C ATOM 0 H LEU A 80 -6.628 -1.057 16.344 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.438 -1.868 14.008 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.041 0.065 16.037 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.502 -0.757 15.869 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.866 -0.314 13.299 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.045 1.809 12.883 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.143 0.555 13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.567 1.847 14.584 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.668 1.826 13.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.095 1.865 15.268 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.030 0.584 14.643 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.308 -3.514 16.589 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.486 -4.646 16.999 1.00 0.00 C ATOM 1240 C ASP A 81 -3.640 -5.810 16.026 1.00 0.00 C ATOM 1241 O ASP A 81 -2.748 -6.648 15.900 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.864 -5.093 18.412 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.692 -5.034 19.371 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -2.019 -3.983 19.423 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -2.448 -6.038 20.072 1.00 0.00 O ATOM 0 H ASP A 81 -4.918 -3.150 17.320 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.444 -4.327 16.994 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.669 -4.460 18.787 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.250 -6.112 18.377 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.778 -5.856 15.340 1.00 0.00 N ATOM 1251 CA GLU A 82 -5.049 -6.919 14.379 1.00 0.00 C ATOM 1252 C GLU A 82 -4.526 -6.547 12.995 1.00 0.00 C ATOM 1253 O GLU A 82 -4.116 -7.412 12.222 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.550 -7.204 14.311 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.312 -6.241 13.416 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.780 -6.140 13.783 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -9.101 -6.271 14.983 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.608 -5.931 12.872 1.00 0.00 O ATOM 0 H GLU A 82 -5.527 -5.170 15.432 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.531 -7.818 14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.702 -8.221 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.966 -7.158 15.317 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.856 -5.253 13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.222 -6.566 12.379 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.546 -5.254 12.690 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.075 -4.767 11.398 1.00 0.00 C ATOM 1267 C TRP A 83 -2.658 -5.254 11.116 1.00 0.00 C ATOM 1268 O TRP A 83 -2.273 -5.439 9.962 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.120 -3.239 11.359 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.496 -2.691 11.130 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.682 -3.328 11.364 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.829 -1.395 10.621 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.731 -2.506 11.031 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.234 -1.314 10.573 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.076 -0.294 10.202 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.899 -0.177 10.122 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.738 0.834 9.755 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.138 0.886 9.719 1.00 0.00 C ATOM 0 H TRP A 83 -4.883 -4.525 13.319 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.735 -5.163 10.626 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.732 -2.847 12.299 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.459 -2.883 10.569 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.780 -4.331 11.754 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.719 -2.744 11.112 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.997 -0.324 10.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.978 -0.136 10.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.167 1.690 9.428 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.626 1.783 9.366 1.00 0.00 H new ATOM 1289 N SER A 84 -1.885 -5.458 12.178 1.00 0.00 N ATOM 1290 CA SER A 84 -0.508 -5.920 12.044 1.00 0.00 C ATOM 1291 C SER A 84 -0.456 -7.438 11.897 1.00 0.00 C ATOM 1292 O SER A 84 0.483 -7.985 11.320 1.00 0.00 O ATOM 1293 CB SER A 84 0.318 -5.485 13.256 1.00 0.00 C ATOM 1294 OG SER A 84 -0.278 -4.378 13.909 1.00 0.00 O ATOM 0 H SER A 84 -2.189 -5.311 13.141 1.00 0.00 H new ATOM 0 HA SER A 84 -0.086 -5.471 11.145 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.410 -6.317 13.955 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.327 -5.223 12.937 1.00 0.00 H new ATOM 0 HG SER A 84 0.268 -4.121 14.681 1.00 0.00 H new ATOM 1300 N VAL A 85 -1.474 -8.112 12.424 1.00 0.00 N ATOM 1301 CA VAL A 85 -1.546 -9.567 12.351 1.00 0.00 C ATOM 1302 C VAL A 85 -2.780 -10.018 11.577 1.00 0.00 C ATOM 1303 O VAL A 85 -3.433 -10.993 11.945 1.00 0.00 O ATOM 1304 CB VAL A 85 -1.575 -10.198 13.755 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -0.290 -9.888 14.508 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.789 -9.712 14.533 1.00 0.00 C ATOM 0 H VAL A 85 -2.259 -7.674 12.906 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.650 -9.903 11.828 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.651 -11.280 13.646 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.330 -10.342 15.498 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.560 -10.291 13.958 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.179 -8.808 14.609 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.793 -10.168 15.523 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.746 -8.627 14.633 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.698 -9.992 14.001 1.00 0.00 H new ATOM 1316 N ALA A 86 -3.092 -9.301 10.502 1.00 0.00 N ATOM 1317 CA ALA A 86 -4.246 -9.628 9.674 1.00 0.00 C ATOM 1318 C ALA A 86 -3.813 -10.083 8.284 1.00 0.00 C ATOM 1319 O ALA A 86 -2.622 -10.113 7.972 1.00 0.00 O ATOM 1320 CB ALA A 86 -5.180 -8.432 9.573 1.00 0.00 C ATOM 0 H ALA A 86 -2.561 -8.490 10.184 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.780 -10.452 10.148 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.037 -8.691 8.952 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.525 -8.154 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.648 -7.592 9.126 1.00 0.00 H new ATOM 1326 N THR A 87 -4.788 -10.437 7.452 1.00 0.00 N ATOM 1327 CA THR A 87 -4.507 -10.891 6.096 1.00 0.00 C ATOM 1328 C THR A 87 -4.832 -9.807 5.075 1.00 0.00 C ATOM 1329 O THR A 87 -5.987 -9.410 4.922 1.00 0.00 O ATOM 1330 CB THR A 87 -5.309 -12.161 5.753 1.00 0.00 C ATOM 1331 OG1 THR A 87 -5.342 -13.040 6.882 1.00 0.00 O ATOM 1332 CG2 THR A 87 -4.696 -12.882 4.561 1.00 0.00 C ATOM 0 H THR A 87 -5.779 -10.418 7.694 1.00 0.00 H new ATOM 0 HA THR A 87 -3.442 -11.119 6.052 1.00 0.00 H new ATOM 0 HB THR A 87 -6.325 -11.863 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.855 -13.844 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 87 -5.279 -13.775 4.337 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.699 -12.220 3.695 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.671 -13.167 4.796 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.805 -9.333 4.376 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.982 -8.294 3.368 1.00 0.00 C ATOM 1342 C PHE A 88 -3.682 -8.834 1.973 1.00 0.00 C ATOM 1343 O PHE A 88 -2.609 -9.384 1.725 1.00 0.00 O ATOM 1344 CB PHE A 88 -3.074 -7.100 3.672 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.694 -6.097 4.602 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -4.297 -6.506 5.781 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.673 -4.746 4.299 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.868 -5.585 6.638 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -4.242 -3.820 5.153 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.840 -4.241 6.325 1.00 0.00 C ATOM 0 H PHE A 88 -2.843 -9.652 4.489 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.022 -7.967 3.396 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.144 -7.463 4.110 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.814 -6.604 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -4.321 -7.556 6.033 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.206 -4.412 3.384 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -5.336 -5.917 7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.219 -2.769 4.904 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.285 -3.520 6.995 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.638 -8.672 1.065 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.479 -9.145 -0.305 1.00 0.00 C ATOM 1362 C TYR A 89 -4.366 -7.973 -1.276 1.00 0.00 C ATOM 1363 O TYR A 89 -4.312 -6.814 -0.865 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.657 -10.037 -0.699 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.759 -11.303 0.122 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.091 -12.459 -0.263 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.524 -11.343 1.281 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.182 -13.618 0.483 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.619 -12.497 2.034 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.947 -13.632 1.631 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.040 -14.784 2.378 1.00 0.00 O ATOM 0 H TYR A 89 -5.531 -8.217 1.253 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.559 -9.727 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.582 -9.470 -0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.564 -10.303 -1.752 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.491 -12.451 -1.161 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.053 -10.457 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.657 -14.508 0.169 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.216 -12.510 2.934 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.214 -15.303 2.283 1.00 0.00 H new ATOM 1381 N LEU A 90 -4.332 -8.285 -2.567 1.00 0.00 N ATOM 1382 CA LEU A 90 -4.227 -7.260 -3.599 1.00 0.00 C ATOM 1383 C LEU A 90 -4.890 -7.720 -4.894 1.00 0.00 C ATOM 1384 O LEU A 90 -5.026 -8.918 -5.142 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.758 -6.918 -3.859 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.997 -6.297 -2.687 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.526 -6.130 -3.036 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -2.610 -4.959 -2.302 1.00 0.00 C ATOM 0 H LEU A 90 -4.376 -9.240 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.744 -6.369 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.241 -7.829 -4.160 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.710 -6.230 -4.703 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.074 -6.968 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.000 -5.687 -2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.093 -7.104 -3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.430 -5.479 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.056 -4.532 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.564 -4.280 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.650 -5.106 -2.010 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.300 -6.760 -5.716 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.948 -7.066 -6.986 1.00 0.00 C ATOM 1402 C PHE A 91 -5.833 -5.891 -7.953 1.00 0.00 C ATOM 1403 O PHE A 91 -5.347 -4.819 -7.589 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.421 -7.413 -6.761 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.687 -8.890 -6.707 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.777 -9.634 -7.873 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.847 -9.536 -5.492 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -8.023 -10.993 -7.827 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.092 -10.895 -5.439 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.179 -11.625 -6.608 1.00 0.00 C ATOM 0 H PHE A 91 -5.195 -5.763 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.442 -7.926 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.755 -6.957 -5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.016 -6.974 -7.562 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.653 -9.146 -8.828 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.779 -8.970 -4.574 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.093 -11.561 -8.743 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.215 -11.385 -4.485 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.369 -12.688 -6.570 1.00 0.00 H new ATOM 1420 N ASP A 92 -6.282 -6.101 -9.185 1.00 0.00 N ATOM 1421 CA ASP A 92 -6.230 -5.060 -10.205 1.00 0.00 C ATOM 1422 C ASP A 92 -7.635 -4.647 -10.632 1.00 0.00 C ATOM 1423 O ASP A 92 -8.620 -4.990 -9.977 1.00 0.00 O ATOM 1424 CB ASP A 92 -5.436 -5.545 -11.419 1.00 0.00 C ATOM 1425 CG ASP A 92 -4.173 -4.737 -11.645 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -3.583 -4.268 -10.650 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.775 -4.573 -12.818 1.00 0.00 O ATOM 0 H ASP A 92 -6.686 -6.982 -9.502 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.730 -4.191 -9.777 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.173 -6.594 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.065 -5.487 -12.307 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.721 -3.909 -11.733 1.00 0.00 N ATOM 1433 CA ASP A 93 -9.005 -3.449 -12.248 1.00 0.00 C ATOM 1434 C ASP A 93 -9.629 -4.496 -13.166 1.00 0.00 C ATOM 1435 O ASP A 93 -10.714 -4.292 -13.710 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.835 -2.129 -13.001 1.00 0.00 C ATOM 1437 CG ASP A 93 -9.769 -1.048 -12.494 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -10.930 -1.372 -12.170 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -9.338 0.122 -12.421 1.00 0.00 O ATOM 0 H ASP A 93 -6.916 -3.616 -12.287 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.672 -3.291 -11.401 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.804 -1.789 -12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.017 -2.294 -14.063 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.934 -5.617 -13.335 1.00 0.00 N ATOM 1445 CA ALA A 94 -9.420 -6.695 -14.187 1.00 0.00 C ATOM 1446 C ALA A 94 -9.738 -7.941 -13.367 1.00 0.00 C ATOM 1447 O ALA A 94 -10.564 -8.762 -13.763 1.00 0.00 O ATOM 1448 CB ALA A 94 -8.396 -7.018 -15.265 1.00 0.00 C ATOM 0 H ALA A 94 -8.033 -5.802 -12.893 1.00 0.00 H new ATOM 0 HA ALA A 94 -10.341 -6.361 -14.665 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.772 -7.825 -15.894 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.220 -6.133 -15.877 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.461 -7.328 -14.798 1.00 0.00 H new ATOM 1454 N GLY A 95 -9.077 -8.075 -12.221 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.303 -9.225 -11.364 1.00 0.00 C ATOM 1456 C GLY A 95 -8.064 -10.084 -11.208 1.00 0.00 C ATOM 1457 O GLY A 95 -8.162 -11.296 -11.022 1.00 0.00 O ATOM 0 H GLY A 95 -8.389 -7.408 -11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.631 -8.884 -10.382 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.111 -9.829 -11.777 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.895 -9.455 -11.286 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.632 -10.172 -11.154 1.00 0.00 C ATOM 1463 C GLU A 96 -4.763 -9.548 -10.066 1.00 0.00 C ATOM 1464 O GLU A 96 -4.762 -8.331 -9.881 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.879 -10.172 -12.486 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.654 -8.783 -13.058 1.00 0.00 C ATOM 1467 CD GLU A 96 -5.876 -8.240 -13.772 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -6.069 -8.576 -14.959 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -6.641 -7.479 -13.143 1.00 0.00 O ATOM 0 H GLU A 96 -6.797 -8.451 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.855 -11.201 -10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.914 -10.660 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.437 -10.767 -13.209 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.377 -8.103 -12.252 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.815 -8.812 -13.753 1.00 0.00 H new ATOM 1476 N GLU A 97 -4.026 -10.391 -9.350 1.00 0.00 N ATOM 1477 CA GLU A 97 -3.154 -9.922 -8.279 1.00 0.00 C ATOM 1478 C GLU A 97 -1.750 -9.640 -8.806 1.00 0.00 C ATOM 1479 O GLU A 97 -0.838 -10.448 -8.634 1.00 0.00 O ATOM 1480 CB GLU A 97 -3.091 -10.956 -7.153 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.574 -10.394 -5.840 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.236 -11.029 -4.632 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.948 -12.039 -4.810 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.043 -10.516 -3.510 1.00 0.00 O ATOM 0 H GLU A 97 -4.015 -11.401 -9.492 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.569 -8.994 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.087 -11.370 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.449 -11.780 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.497 -10.549 -5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.743 -9.317 -5.818 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.585 -8.489 -9.449 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.292 -8.101 -10.002 1.00 0.00 C ATOM 1493 C ASN A 98 0.170 -6.768 -9.420 1.00 0.00 C ATOM 1494 O ASN A 98 -0.412 -6.262 -8.460 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.375 -8.003 -11.526 1.00 0.00 C ATOM 1496 CG ASN A 98 -1.401 -6.985 -11.986 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.544 -5.918 -11.388 1.00 0.00 O ATOM 1498 ND2 ASN A 98 -2.121 -7.311 -13.053 1.00 0.00 N ATOM 0 H ASN A 98 -2.330 -7.809 -9.600 1.00 0.00 H new ATOM 0 HA ASN A 98 0.435 -8.867 -9.733 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.603 -7.734 -11.924 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.628 -8.980 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.827 -6.666 -13.409 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.968 -8.206 -13.517 1.00 0.00 H new ATOM 1505 N PHE A 99 1.220 -6.204 -10.008 1.00 0.00 N ATOM 1506 CA PHE A 99 1.761 -4.931 -9.549 1.00 0.00 C ATOM 1507 C PHE A 99 1.658 -3.870 -10.641 1.00 0.00 C ATOM 1508 O PHE A 99 2.653 -3.250 -11.015 1.00 0.00 O ATOM 1509 CB PHE A 99 3.220 -5.097 -9.120 1.00 0.00 C ATOM 1510 CG PHE A 99 4.017 -5.981 -10.036 1.00 0.00 C ATOM 1511 CD1 PHE A 99 4.683 -5.449 -11.128 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.099 -7.345 -9.806 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.418 -6.260 -11.973 1.00 0.00 C ATOM 1514 CE2 PHE A 99 4.832 -8.161 -10.647 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.491 -7.618 -11.733 1.00 0.00 C ATOM 0 H PHE A 99 1.713 -6.609 -10.804 1.00 0.00 H new ATOM 0 HA PHE A 99 1.173 -4.603 -8.692 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.691 -4.115 -9.075 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.249 -5.511 -8.112 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.627 -4.388 -11.322 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.584 -7.775 -8.960 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.934 -5.832 -12.820 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.890 -9.222 -10.455 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.062 -8.254 -12.393 1.00 0.00 H new ATOM 1525 N SER A 100 0.446 -3.669 -11.149 1.00 0.00 N ATOM 1526 CA SER A 100 0.212 -2.687 -12.201 1.00 0.00 C ATOM 1527 C SER A 100 0.123 -1.279 -11.621 1.00 0.00 C ATOM 1528 O SER A 100 0.236 -1.086 -10.410 1.00 0.00 O ATOM 1529 CB SER A 100 -1.073 -3.020 -12.962 1.00 0.00 C ATOM 1530 OG SER A 100 -1.208 -2.206 -14.115 1.00 0.00 O ATOM 0 H SER A 100 -0.389 -4.173 -10.849 1.00 0.00 H new ATOM 0 HA SER A 100 1.055 -2.723 -12.891 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.065 -4.070 -13.253 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.934 -2.877 -12.309 1.00 0.00 H new ATOM 0 HG SER A 100 -2.036 -2.439 -14.585 1.00 0.00 H new ATOM 1536 N SER A 101 -0.081 -0.297 -12.494 1.00 0.00 N ATOM 1537 CA SER A 101 -0.182 1.094 -12.070 1.00 0.00 C ATOM 1538 C SER A 101 -1.202 1.247 -10.945 1.00 0.00 C ATOM 1539 O SER A 101 -0.953 1.937 -9.956 1.00 0.00 O ATOM 1540 CB SER A 101 -0.573 1.983 -13.252 1.00 0.00 C ATOM 1541 OG SER A 101 0.162 3.194 -13.245 1.00 0.00 O ATOM 0 H SER A 101 -0.179 -0.440 -13.499 1.00 0.00 H new ATOM 0 HA SER A 101 0.794 1.406 -11.697 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.394 1.451 -14.186 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.640 2.201 -13.209 1.00 0.00 H new ATOM 0 HG SER A 101 -0.105 3.743 -14.011 1.00 0.00 H new ATOM 1547 N ARG A 102 -2.350 0.598 -11.104 1.00 0.00 N ATOM 1548 CA ARG A 102 -3.409 0.661 -10.104 1.00 0.00 C ATOM 1549 C ARG A 102 -3.447 -0.616 -9.271 1.00 0.00 C ATOM 1550 O ARG A 102 -3.528 -1.719 -9.811 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.764 0.884 -10.778 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.928 0.935 -9.802 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.418 2.360 -9.593 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.317 3.284 -9.331 1.00 0.00 N ATOM 1555 CZ ARG A 102 -5.405 4.598 -9.503 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -6.535 5.140 -9.933 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -4.359 5.373 -9.243 1.00 0.00 N ATOM 0 H ARG A 102 -2.571 0.022 -11.916 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.198 1.500 -9.441 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.731 1.817 -11.341 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.939 0.084 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.746 0.319 -10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.621 0.511 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.965 2.689 -10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.118 2.384 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.433 2.899 -8.998 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -7.341 4.548 -10.133 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.599 6.150 -10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.488 4.959 -8.911 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.427 6.382 -9.375 1.00 0.00 H new ATOM 1571 N MET A 103 -3.389 -0.459 -7.953 1.00 0.00 N ATOM 1572 CA MET A 103 -3.418 -1.600 -7.045 1.00 0.00 C ATOM 1573 C MET A 103 -4.532 -1.448 -6.015 1.00 0.00 C ATOM 1574 O MET A 103 -4.655 -0.407 -5.369 1.00 0.00 O ATOM 1575 CB MET A 103 -2.070 -1.750 -6.337 1.00 0.00 C ATOM 1576 CG MET A 103 -1.956 -3.020 -5.509 1.00 0.00 C ATOM 1577 SD MET A 103 -0.269 -3.343 -4.960 1.00 0.00 S ATOM 1578 CE MET A 103 0.305 -4.437 -6.256 1.00 0.00 C ATOM 0 H MET A 103 -3.322 0.447 -7.490 1.00 0.00 H new ATOM 0 HA MET A 103 -3.613 -2.496 -7.634 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.274 -1.739 -7.082 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.911 -0.888 -5.689 1.00 0.00 H new ATOM 0 HG2 MET A 103 -2.608 -2.942 -4.639 1.00 0.00 H new ATOM 0 HG3 MET A 103 -2.310 -3.866 -6.098 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.365 -4.261 -6.437 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.156 -5.473 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.256 -4.244 -7.170 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.342 -2.491 -5.868 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.448 -2.471 -4.918 1.00 0.00 C ATOM 1590 C TYR A 104 -6.155 -3.371 -3.722 1.00 0.00 C ATOM 1591 O TYR A 104 -6.001 -4.585 -3.867 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.742 -2.917 -5.601 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.209 -1.974 -6.687 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.364 -0.616 -6.437 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.496 -2.441 -7.964 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.791 0.248 -7.426 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.922 -1.584 -8.960 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.069 -0.240 -8.686 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.493 0.618 -9.674 1.00 0.00 O ATOM 0 H TYR A 104 -5.253 -3.360 -6.394 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.568 -1.449 -4.560 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.593 -3.908 -6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.526 -3.010 -4.850 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.147 -0.230 -5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.384 -3.493 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.907 1.301 -7.214 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.139 -1.964 -9.947 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.081 0.365 -10.526 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.082 -2.769 -2.541 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.807 -3.515 -1.318 1.00 0.00 C ATOM 1611 C CYS A 105 -7.074 -4.184 -0.793 1.00 0.00 C ATOM 1612 O CYS A 105 -7.852 -3.574 -0.060 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.226 -2.587 -0.249 1.00 0.00 C ATOM 1614 SG CYS A 105 -5.051 -3.355 1.378 1.00 0.00 S ATOM 0 H CYS A 105 -6.209 -1.766 -2.404 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.077 -4.291 -1.551 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.249 -2.236 -0.580 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.866 -1.709 -0.158 1.00 0.00 H new ATOM 0 HG CYS A 105 -6.228 -3.550 1.895 1.00 0.00 H new ATOM 1620 N SER A 106 -7.275 -5.441 -1.175 1.00 0.00 N ATOM 1621 CA SER A 106 -8.450 -6.191 -0.748 1.00 0.00 C ATOM 1622 C SER A 106 -8.175 -6.936 0.555 1.00 0.00 C ATOM 1623 O SER A 106 -7.110 -7.529 0.732 1.00 0.00 O ATOM 1624 CB SER A 106 -8.872 -7.181 -1.835 1.00 0.00 C ATOM 1625 OG SER A 106 -7.751 -7.873 -2.358 1.00 0.00 O ATOM 0 H SER A 106 -6.639 -5.961 -1.779 1.00 0.00 H new ATOM 0 HA SER A 106 -9.260 -5.482 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.585 -7.896 -1.424 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.382 -6.649 -2.638 1.00 0.00 H new ATOM 0 HG SER A 106 -7.986 -8.813 -2.504 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.142 -6.900 1.465 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.006 -7.569 2.753 1.00 0.00 C ATOM 1633 C PHE A 107 -9.416 -9.035 2.650 1.00 0.00 C ATOM 1634 O PHE A 107 -9.299 -9.793 3.613 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.855 -6.863 3.812 1.00 0.00 C ATOM 1636 CG PHE A 107 -11.333 -6.988 3.575 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.033 -8.088 4.043 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.023 -6.004 2.885 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -13.393 -8.206 3.827 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -13.383 -6.116 2.666 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.069 -7.219 3.137 1.00 0.00 C ATOM 0 H PHE A 107 -10.029 -6.414 1.334 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.958 -7.523 3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.616 -7.275 4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -9.587 -5.807 3.837 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -11.510 -8.863 4.583 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -11.492 -5.140 2.514 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -13.926 -9.069 4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -13.909 -5.342 2.127 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.132 -7.309 2.966 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.899 -9.427 1.476 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.330 -10.801 1.247 1.00 0.00 C ATOM 1653 C TYR A 108 -9.431 -11.491 0.226 1.00 0.00 C ATOM 1654 O TYR A 108 -8.801 -10.852 -0.618 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.782 -10.828 0.766 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.979 -10.210 -0.600 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.012 -8.831 -0.762 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.131 -11.006 -1.729 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.193 -8.262 -2.008 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.311 -10.446 -2.979 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.341 -9.074 -3.113 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.520 -8.511 -4.356 1.00 0.00 O ATOM 0 H TYR A 108 -10.002 -8.813 0.668 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.257 -11.340 2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.129 -11.861 0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.405 -10.300 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.894 -8.192 0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.108 -12.081 -1.627 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.218 -7.188 -2.116 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.428 -11.079 -3.846 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.607 -9.220 -5.027 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.369 -12.829 0.302 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.552 -13.637 -0.608 1.00 0.00 C ATOM 1674 C PRO A 109 -9.103 -13.645 -2.030 1.00 0.00 C ATOM 1675 O PRO A 109 -10.231 -13.224 -2.286 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.623 -15.039 0.001 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.901 -15.055 0.766 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.093 -13.656 1.282 1.00 0.00 C ATOM 0 HA PRO A 109 -7.538 -13.248 -0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.615 -15.807 -0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.770 -15.232 0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.733 -15.353 0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.855 -15.771 1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.148 -13.388 1.333 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.686 -13.539 2.286 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.291 -14.136 -2.978 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.678 -14.212 -4.389 1.00 0.00 C ATOM 1688 C PRO A 110 -9.761 -15.256 -4.639 1.00 0.00 C ATOM 1689 O PRO A 110 -10.760 -14.981 -5.304 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.378 -14.612 -5.092 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.585 -15.319 -4.047 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.933 -14.656 -2.743 1.00 0.00 C ATOM 0 HA PRO A 110 -9.101 -13.273 -4.746 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.573 -15.260 -5.947 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.847 -13.738 -5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.831 -16.381 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.517 -15.244 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.911 -15.363 -1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.233 -13.857 -2.499 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.557 -16.453 -4.100 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.518 -17.538 -4.263 1.00 0.00 C ATOM 1702 C ASP A 111 -10.041 -18.798 -3.548 1.00 0.00 C ATOM 1703 O ASP A 111 -10.845 -19.566 -3.021 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.740 -17.833 -5.747 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.156 -17.525 -6.193 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.084 -18.241 -5.759 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.338 -16.569 -6.974 1.00 0.00 O ATOM 0 H ASP A 111 -8.735 -16.697 -3.547 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.462 -17.224 -3.818 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.039 -17.245 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.521 -18.883 -5.943 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.728 -19.004 -3.535 1.00 0.00 N ATOM 1713 CA GLU A 112 -8.145 -20.172 -2.885 1.00 0.00 C ATOM 1714 C GLU A 112 -8.648 -20.306 -1.451 1.00 0.00 C ATOM 1715 O GLU A 112 -9.166 -19.351 -0.874 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.617 -20.080 -2.894 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.947 -21.154 -3.735 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.764 -20.625 -4.523 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -4.990 -19.976 -5.566 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -3.614 -20.860 -4.097 1.00 0.00 O ATOM 0 H GLU A 112 -8.048 -18.378 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.452 -21.056 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.323 -19.100 -3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.251 -20.152 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.613 -21.963 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.677 -21.579 -4.424 1.00 0.00 H new