USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 THR OG1 : rot 73:sc= -0.555 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 SER OG : rot 140:sc= 0.432 USER MOD Set 2.2: A 71 SER OG : rot 123:sc= 0.379 USER MOD Set 3.1: A 51 GLN : amide:sc= 0.826 K(o=-0.55,f=-2.3) USER MOD Set 3.2: A 53 SER OG : rot -146:sc= -1.38 USER MOD Set 4.1: A 43 ASN : amide:sc= -2.94! C(o=-4.8!,f=-5.2!) USER MOD Set 4.2: A 58 THR OG1 : rot -53:sc= -1.84! USER MOD Set 5.1: A 7 THR OG1 : rot -140:sc= 0.287 USER MOD Set 5.2: A 93 ASN : amide:sc= -0.257 K(o=0.03,f=-11!) USER MOD Single : A 10 ASN : amide:sc= -7.24! C(o=-7.2!,f=-17!) USER MOD Single : A 11 THR OG1 : rot -70:sc= -1.25 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -160:sc= -1.07 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -0.08 K(o=-0.08,f=-1.2) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -179:sc=-0.00925 (180deg=-0.0129) USER MOD Single : A 36 ASN : amide:sc= -2.95 K(o=-2.9,f=-8.6!) USER MOD Single : A 40 HIS :FLIP no HE2:sc= -1.64 F(o=-2.3,f=-1.6) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -2.69 K(o=-2.7,f=-8.4!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0824 X(o=-0.082,f=0) USER MOD Single : A 60 TYR OH : rot -54:sc= 1.5 USER MOD Single : A 61 ASN : amide:sc= -0.0244 K(o=-0.024,f=-1.2) USER MOD Single : A 65 GLN : amide:sc= -0.039 K(o=-0.039,f=-1.4!) USER MOD Single : A 67 SER OG : rot 84:sc= 0.0885 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 77 ASN : amide:sc= -0.092 K(o=-0.092,f=-2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 51:sc= 0.762 USER MOD Single : A 83 SER OG : rot -99:sc= 0.0196 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN :FLIP amide:sc= -5.34! C(o=-6.9!,f=-5.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N PHE A 4 11.208 -5.205 -5.305 1.00 0.00 N ATOM 59 CA PHE A 4 12.125 -6.168 -5.918 1.00 0.00 C ATOM 60 C PHE A 4 13.559 -5.985 -5.413 1.00 0.00 C ATOM 61 O PHE A 4 14.256 -6.962 -5.149 1.00 0.00 O ATOM 62 CB PHE A 4 12.069 -6.064 -7.450 1.00 0.00 C ATOM 63 CG PHE A 4 12.855 -4.922 -8.037 1.00 0.00 C ATOM 64 CD1 PHE A 4 12.302 -3.655 -8.128 1.00 0.00 C ATOM 65 CD2 PHE A 4 14.142 -5.122 -8.506 1.00 0.00 C ATOM 66 CE1 PHE A 4 13.019 -2.609 -8.677 1.00 0.00 C ATOM 67 CE2 PHE A 4 14.866 -4.079 -9.055 1.00 0.00 C ATOM 68 CZ PHE A 4 14.303 -2.821 -9.140 1.00 0.00 C ATOM 0 HA PHE A 4 11.801 -7.167 -5.624 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.438 -6.997 -7.877 1.00 0.00 H new ATOM 0 HB3 PHE A 4 11.027 -5.964 -7.755 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.299 -3.483 -7.766 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.586 -6.104 -8.442 1.00 0.00 H new ATOM 0 HE1 PHE A 4 12.576 -1.626 -8.744 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.870 -4.248 -9.416 1.00 0.00 H new ATOM 0 HZ PHE A 4 14.866 -2.004 -9.568 1.00 0.00 H new ATOM 78 N ILE A 5 14.001 -4.735 -5.288 1.00 0.00 N ATOM 79 CA ILE A 5 15.361 -4.456 -4.823 1.00 0.00 C ATOM 80 C ILE A 5 15.587 -4.981 -3.407 1.00 0.00 C ATOM 81 O ILE A 5 16.722 -5.231 -3.004 1.00 0.00 O ATOM 82 CB ILE A 5 15.670 -2.942 -4.858 1.00 0.00 C ATOM 83 CG1 ILE A 5 17.152 -2.684 -4.571 1.00 0.00 C ATOM 84 CG2 ILE A 5 14.797 -2.187 -3.863 1.00 0.00 C ATOM 85 CD1 ILE A 5 18.060 -2.991 -5.740 1.00 0.00 C ATOM 0 H ILE A 5 13.445 -3.906 -5.499 1.00 0.00 H new ATOM 0 HA ILE A 5 16.036 -4.973 -5.505 1.00 0.00 H new ATOM 0 HB ILE A 5 15.444 -2.576 -5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 5 17.281 -1.640 -4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.458 -3.288 -3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 5 15.033 -1.124 -3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.747 -2.336 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.986 -2.560 -2.857 1.00 0.00 H new ATOM 0 HD11 ILE A 5 19.093 -2.784 -5.462 1.00 0.00 H new ATOM 0 HD12 ILE A 5 17.961 -4.042 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 5 17.781 -2.369 -6.590 1.00 0.00 H new ATOM 97 N GLU A 6 14.505 -5.160 -2.659 1.00 0.00 N ATOM 98 CA GLU A 6 14.606 -5.668 -1.296 1.00 0.00 C ATOM 99 C GLU A 6 14.892 -7.169 -1.289 1.00 0.00 C ATOM 100 O GLU A 6 15.434 -7.699 -0.319 1.00 0.00 O ATOM 101 CB GLU A 6 13.319 -5.382 -0.515 1.00 0.00 C ATOM 102 CG GLU A 6 13.373 -4.110 0.314 1.00 0.00 C ATOM 103 CD GLU A 6 14.579 -4.058 1.234 1.00 0.00 C ATOM 104 OE1 GLU A 6 15.022 -5.133 1.694 1.00 0.00 O ATOM 105 OE2 GLU A 6 15.078 -2.942 1.496 1.00 0.00 O ATOM 0 H GLU A 6 13.554 -4.963 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 6 15.436 -5.154 -0.812 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.488 -5.312 -1.216 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.110 -6.225 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 6 13.393 -3.248 -0.353 1.00 0.00 H new ATOM 0 HG3 GLU A 6 12.464 -4.031 0.910 1.00 0.00 H new ATOM 112 N THR A 7 14.516 -7.854 -2.368 1.00 0.00 N ATOM 113 CA THR A 7 14.729 -9.294 -2.468 1.00 0.00 C ATOM 114 C THR A 7 15.655 -9.660 -3.633 1.00 0.00 C ATOM 115 O THR A 7 15.986 -10.832 -3.822 1.00 0.00 O ATOM 116 CB THR A 7 13.387 -10.012 -2.618 1.00 0.00 C ATOM 117 OG1 THR A 7 12.755 -9.645 -3.832 1.00 0.00 O ATOM 118 CG2 THR A 7 12.422 -9.715 -1.489 1.00 0.00 C ATOM 0 H THR A 7 14.064 -7.436 -3.181 1.00 0.00 H new ATOM 0 HA THR A 7 15.217 -9.618 -1.549 1.00 0.00 H new ATOM 0 HB THR A 7 13.624 -11.076 -2.603 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.793 -9.537 -3.680 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.490 -10.255 -1.656 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.861 -10.032 -0.543 1.00 0.00 H new ATOM 0 HG23 THR A 7 12.220 -8.644 -1.455 1.00 0.00 H new ATOM 126 N CYS A 8 16.065 -8.666 -4.418 1.00 0.00 N ATOM 127 CA CYS A 8 16.947 -8.914 -5.554 1.00 0.00 C ATOM 128 C CYS A 8 18.333 -8.325 -5.311 1.00 0.00 C ATOM 129 O CYS A 8 18.491 -7.377 -4.540 1.00 0.00 O ATOM 130 CB CYS A 8 16.353 -8.335 -6.842 1.00 0.00 C ATOM 131 SG CYS A 8 14.665 -8.915 -7.214 1.00 0.00 S ATOM 0 H CYS A 8 15.803 -7.689 -4.289 1.00 0.00 H new ATOM 0 HA CYS A 8 17.044 -9.994 -5.666 1.00 0.00 H new ATOM 0 HB2 CYS A 8 16.343 -7.248 -6.767 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.005 -8.591 -7.677 1.00 0.00 H new ATOM 136 N ARG A 9 19.332 -8.891 -5.981 1.00 0.00 N ATOM 137 CA ARG A 9 20.709 -8.427 -5.847 1.00 0.00 C ATOM 138 C ARG A 9 21.340 -8.200 -7.218 1.00 0.00 C ATOM 139 O ARG A 9 20.748 -8.536 -8.243 1.00 0.00 O ATOM 140 CB ARG A 9 21.537 -9.440 -5.057 1.00 0.00 C ATOM 141 CG ARG A 9 21.417 -10.858 -5.586 1.00 0.00 C ATOM 142 CD ARG A 9 22.756 -11.581 -5.581 1.00 0.00 C ATOM 143 NE ARG A 9 22.614 -12.973 -5.998 1.00 0.00 N ATOM 144 CZ ARG A 9 23.636 -13.802 -6.193 1.00 0.00 C ATOM 145 NH1 ARG A 9 24.884 -13.382 -6.026 1.00 0.00 N ATOM 146 NH2 ARG A 9 23.407 -15.054 -6.559 1.00 0.00 N ATOM 0 H ARG A 9 19.213 -9.674 -6.624 1.00 0.00 H new ATOM 0 HA ARG A 9 20.696 -7.480 -5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 9 22.584 -9.139 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 9 21.222 -9.421 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 9 20.703 -11.413 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 9 21.021 -10.834 -6.601 1.00 0.00 H new ATOM 0 HD2 ARG A 9 23.450 -11.069 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 9 23.188 -11.542 -4.581 1.00 0.00 H new ATOM 0 HE ARG A 9 21.672 -13.333 -6.149 1.00 0.00 H new ATOM 0 HH11 ARG A 9 25.065 -12.418 -5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 9 25.663 -14.023 -6.177 1.00 0.00 H new ATOM 0 HH21 ARG A 9 22.449 -15.380 -6.691 1.00 0.00 H new ATOM 0 HH22 ARG A 9 24.188 -15.692 -6.709 1.00 0.00 H new ATOM 160 N ASN A 10 22.544 -7.627 -7.231 1.00 0.00 N ATOM 161 CA ASN A 10 23.267 -7.348 -8.471 1.00 0.00 C ATOM 162 C ASN A 10 22.390 -6.655 -9.513 1.00 0.00 C ATOM 163 O ASN A 10 22.202 -7.159 -10.621 1.00 0.00 O ATOM 164 CB ASN A 10 23.882 -8.631 -9.048 1.00 0.00 C ATOM 165 CG ASN A 10 22.849 -9.645 -9.497 1.00 0.00 C ATOM 166 OD1 ASN A 10 22.311 -10.401 -8.688 1.00 0.00 O ATOM 167 ND2 ASN A 10 22.574 -9.674 -10.796 1.00 0.00 N ATOM 0 H ASN A 10 23.043 -7.345 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 10 24.072 -6.658 -8.218 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.517 -8.371 -9.895 1.00 0.00 H new ATOM 0 HB3 ASN A 10 24.525 -9.087 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 10 21.893 -10.341 -11.158 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.044 -9.029 -11.431 1.00 0.00 H new ATOM 174 N THR A 11 21.870 -5.483 -9.154 1.00 0.00 N ATOM 175 CA THR A 11 21.038 -4.707 -10.066 1.00 0.00 C ATOM 176 C THR A 11 21.923 -3.975 -11.067 1.00 0.00 C ATOM 177 O THR A 11 22.912 -3.347 -10.688 1.00 0.00 O ATOM 178 CB THR A 11 20.183 -3.695 -9.300 1.00 0.00 C ATOM 179 OG1 THR A 11 20.976 -2.603 -8.866 1.00 0.00 O ATOM 180 CG2 THR A 11 19.499 -4.274 -8.081 1.00 0.00 C ATOM 0 H THR A 11 22.011 -5.052 -8.240 1.00 0.00 H new ATOM 0 HA THR A 11 20.373 -5.391 -10.592 1.00 0.00 H new ATOM 0 HB THR A 11 19.414 -3.379 -10.005 1.00 0.00 H new ATOM 0 HG1 THR A 11 21.582 -2.901 -8.156 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.912 -3.498 -7.590 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.842 -5.089 -8.385 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.250 -4.653 -7.388 1.00 0.00 H new ATOM 188 N GLN A 12 21.572 -4.066 -12.344 1.00 0.00 N ATOM 189 CA GLN A 12 22.356 -3.420 -13.390 1.00 0.00 C ATOM 190 C GLN A 12 21.531 -3.176 -14.645 1.00 0.00 C ATOM 191 O GLN A 12 20.466 -3.768 -14.828 1.00 0.00 O ATOM 192 CB GLN A 12 23.587 -4.258 -13.726 1.00 0.00 C ATOM 193 CG GLN A 12 23.256 -5.698 -14.076 1.00 0.00 C ATOM 194 CD GLN A 12 24.482 -6.585 -14.113 1.00 0.00 C ATOM 195 OE1 GLN A 12 25.613 -6.101 -14.100 1.00 0.00 O ATOM 196 NE2 GLN A 12 24.262 -7.893 -14.164 1.00 0.00 N ATOM 0 H GLN A 12 20.755 -4.577 -12.679 1.00 0.00 H new ATOM 0 HA GLN A 12 22.675 -2.450 -13.008 1.00 0.00 H new ATOM 0 HB2 GLN A 12 24.113 -3.799 -14.564 1.00 0.00 H new ATOM 0 HB3 GLN A 12 24.269 -4.246 -12.876 1.00 0.00 H new ATOM 0 HG2 GLN A 12 22.549 -6.092 -13.346 1.00 0.00 H new ATOM 0 HG3 GLN A 12 22.761 -5.728 -15.047 1.00 0.00 H new ATOM 0 HE21 GLN A 12 23.306 -8.249 -14.173 1.00 0.00 H new ATOM 0 HE22 GLN A 12 25.049 -8.542 -14.194 1.00 0.00 H new ATOM 205 N LEU A 13 22.041 -2.307 -15.510 1.00 0.00 N ATOM 206 CA LEU A 13 21.361 -1.986 -16.756 1.00 0.00 C ATOM 207 C LEU A 13 21.934 -2.796 -17.904 1.00 0.00 C ATOM 208 O LEU A 13 23.150 -2.935 -18.042 1.00 0.00 O ATOM 209 CB LEU A 13 21.500 -0.502 -17.094 1.00 0.00 C ATOM 210 CG LEU A 13 20.779 -0.078 -18.379 1.00 0.00 C ATOM 211 CD1 LEU A 13 19.611 0.838 -18.058 1.00 0.00 C ATOM 212 CD2 LEU A 13 21.738 0.599 -19.352 1.00 0.00 C ATOM 0 H LEU A 13 22.922 -1.813 -15.370 1.00 0.00 H new ATOM 0 HA LEU A 13 20.307 -2.230 -16.619 1.00 0.00 H new ATOM 0 HB2 LEU A 13 21.112 0.086 -16.262 1.00 0.00 H new ATOM 0 HB3 LEU A 13 22.559 -0.260 -17.188 1.00 0.00 H new ATOM 0 HG LEU A 13 20.394 -0.978 -18.859 1.00 0.00 H new ATOM 0 HD11 LEU A 13 19.112 1.128 -18.982 1.00 0.00 H new ATOM 0 HD12 LEU A 13 18.905 0.315 -17.413 1.00 0.00 H new ATOM 0 HD13 LEU A 13 19.977 1.729 -17.548 1.00 0.00 H new ATOM 0 HD21 LEU A 13 21.198 0.888 -20.253 1.00 0.00 H new ATOM 0 HD22 LEU A 13 22.165 1.486 -18.884 1.00 0.00 H new ATOM 0 HD23 LEU A 13 22.538 -0.093 -19.615 1.00 0.00 H new ATOM 224 N ALA A 14 21.044 -3.316 -18.734 1.00 0.00 N ATOM 225 CA ALA A 14 21.430 -4.099 -19.890 1.00 0.00 C ATOM 226 C ALA A 14 20.891 -3.435 -21.147 1.00 0.00 C ATOM 227 O ALA A 14 19.829 -2.814 -21.113 1.00 0.00 O ATOM 228 CB ALA A 14 20.898 -5.517 -19.760 1.00 0.00 C ATOM 0 H ALA A 14 20.036 -3.206 -18.623 1.00 0.00 H new ATOM 0 HA ALA A 14 22.517 -4.149 -19.954 1.00 0.00 H new ATOM 0 HB1 ALA A 14 21.193 -6.098 -20.634 1.00 0.00 H new ATOM 0 HB2 ALA A 14 21.308 -5.979 -18.862 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.810 -5.493 -19.691 1.00 0.00 H new ATOM 234 N GLY A 15 21.622 -3.535 -22.247 1.00 0.00 N ATOM 235 CA GLY A 15 21.172 -2.900 -23.471 1.00 0.00 C ATOM 236 C GLY A 15 20.973 -1.409 -23.279 1.00 0.00 C ATOM 237 O GLY A 15 21.637 -0.798 -22.441 1.00 0.00 O ATOM 0 H GLY A 15 22.507 -4.037 -22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 15 21.902 -3.072 -24.262 1.00 0.00 H new ATOM 0 HA3 GLY A 15 20.236 -3.355 -23.796 1.00 0.00 H new ATOM 241 N SER A 16 20.089 -0.809 -24.068 1.00 0.00 N ATOM 242 CA SER A 16 19.859 0.628 -23.977 1.00 0.00 C ATOM 243 C SER A 16 18.836 0.991 -22.902 1.00 0.00 C ATOM 244 O SER A 16 18.975 2.021 -22.241 1.00 0.00 O ATOM 245 CB SER A 16 19.362 1.162 -25.317 1.00 0.00 C ATOM 246 OG SER A 16 20.036 0.543 -26.399 1.00 0.00 O ATOM 0 H SER A 16 19.526 -1.289 -24.770 1.00 0.00 H new ATOM 0 HA SER A 16 20.813 1.081 -23.707 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.290 0.987 -25.406 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.514 2.241 -25.360 1.00 0.00 H new ATOM 0 HG SER A 16 19.696 0.903 -27.245 1.00 0.00 H new ATOM 252 N SER A 17 17.799 0.171 -22.733 1.00 0.00 N ATOM 253 CA SER A 17 16.774 0.475 -21.745 1.00 0.00 C ATOM 254 C SER A 17 16.276 -0.767 -20.997 1.00 0.00 C ATOM 255 O SER A 17 15.095 -0.857 -20.663 1.00 0.00 O ATOM 256 CB SER A 17 15.607 1.178 -22.435 1.00 0.00 C ATOM 257 OG SER A 17 15.345 0.607 -23.705 1.00 0.00 O ATOM 0 H SER A 17 17.651 -0.691 -23.257 1.00 0.00 H new ATOM 0 HA SER A 17 17.223 1.127 -20.995 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.716 1.108 -21.811 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.834 2.238 -22.549 1.00 0.00 H new ATOM 0 HG SER A 17 14.835 1.242 -24.250 1.00 0.00 H new ATOM 263 N GLU A 18 17.175 -1.711 -20.725 1.00 0.00 N ATOM 264 CA GLU A 18 16.806 -2.929 -19.996 1.00 0.00 C ATOM 265 C GLU A 18 17.502 -3.023 -18.644 1.00 0.00 C ATOM 266 O GLU A 18 18.620 -2.541 -18.469 1.00 0.00 O ATOM 267 CB GLU A 18 17.122 -4.185 -20.810 1.00 0.00 C ATOM 268 CG GLU A 18 16.060 -4.537 -21.834 1.00 0.00 C ATOM 269 CD GLU A 18 16.428 -4.115 -23.242 1.00 0.00 C ATOM 270 OE1 GLU A 18 16.997 -3.015 -23.402 1.00 0.00 O ATOM 271 OE2 GLU A 18 16.147 -4.886 -24.186 1.00 0.00 O ATOM 0 H GLU A 18 18.157 -1.660 -20.995 1.00 0.00 H new ATOM 0 HA GLU A 18 15.731 -2.868 -19.829 1.00 0.00 H new ATOM 0 HB2 GLU A 18 18.074 -4.044 -21.322 1.00 0.00 H new ATOM 0 HB3 GLU A 18 17.248 -5.026 -20.128 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.890 -5.614 -21.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.121 -4.061 -21.552 1.00 0.00 H new ATOM 278 N LEU A 19 16.828 -3.666 -17.694 1.00 0.00 N ATOM 279 CA LEU A 19 17.367 -3.861 -16.353 1.00 0.00 C ATOM 280 C LEU A 19 17.411 -5.354 -16.041 1.00 0.00 C ATOM 281 O LEU A 19 16.386 -6.035 -16.088 1.00 0.00 O ATOM 282 CB LEU A 19 16.507 -3.123 -15.317 1.00 0.00 C ATOM 283 CG LEU A 19 16.725 -3.535 -13.855 1.00 0.00 C ATOM 284 CD1 LEU A 19 18.166 -3.285 -13.432 1.00 0.00 C ATOM 285 CD2 LEU A 19 15.764 -2.783 -12.946 1.00 0.00 C ATOM 0 H LEU A 19 15.899 -4.064 -17.831 1.00 0.00 H new ATOM 0 HA LEU A 19 18.377 -3.453 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 19 16.701 -2.054 -15.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.457 -3.279 -15.566 1.00 0.00 H new ATOM 0 HG LEU A 19 16.526 -4.603 -13.766 1.00 0.00 H new ATOM 0 HD11 LEU A 19 18.297 -3.584 -12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 19 18.837 -3.866 -14.064 1.00 0.00 H new ATOM 0 HD13 LEU A 19 18.397 -2.225 -13.536 1.00 0.00 H new ATOM 0 HD21 LEU A 19 15.930 -3.085 -11.912 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.935 -1.711 -13.043 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.738 -3.014 -13.231 1.00 0.00 H new ATOM 297 N ALA A 20 18.590 -5.867 -15.711 1.00 0.00 N ATOM 298 CA ALA A 20 18.733 -7.275 -15.385 1.00 0.00 C ATOM 299 C ALA A 20 19.239 -7.427 -13.954 1.00 0.00 C ATOM 300 O ALA A 20 20.031 -6.616 -13.477 1.00 0.00 O ATOM 301 CB ALA A 20 19.664 -7.950 -16.383 1.00 0.00 C ATOM 0 H ALA A 20 19.456 -5.330 -15.663 1.00 0.00 H new ATOM 0 HA ALA A 20 17.762 -7.765 -15.452 1.00 0.00 H new ATOM 0 HB1 ALA A 20 19.765 -9.005 -16.130 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.251 -7.855 -17.387 1.00 0.00 H new ATOM 0 HB3 ALA A 20 20.643 -7.473 -16.347 1.00 0.00 H new ATOM 307 N ALA A 21 18.760 -8.455 -13.268 1.00 0.00 N ATOM 308 CA ALA A 21 19.141 -8.696 -11.880 1.00 0.00 C ATOM 309 C ALA A 21 18.842 -10.132 -11.465 1.00 0.00 C ATOM 310 O ALA A 21 18.182 -10.871 -12.195 1.00 0.00 O ATOM 311 CB ALA A 21 18.426 -7.721 -10.959 1.00 0.00 C ATOM 0 H ALA A 21 18.105 -9.138 -13.649 1.00 0.00 H new ATOM 0 HA ALA A 21 20.216 -8.539 -11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.720 -7.913 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.696 -6.700 -11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 21 17.348 -7.850 -11.059 1.00 0.00 H new ATOM 317 N GLU A 22 19.282 -10.508 -10.269 1.00 0.00 N ATOM 318 CA GLU A 22 19.003 -11.835 -9.742 1.00 0.00 C ATOM 319 C GLU A 22 18.035 -11.699 -8.571 1.00 0.00 C ATOM 320 O GLU A 22 18.216 -10.835 -7.709 1.00 0.00 O ATOM 321 CB GLU A 22 20.290 -12.534 -9.291 1.00 0.00 C ATOM 322 CG GLU A 22 21.328 -12.677 -10.393 1.00 0.00 C ATOM 323 CD GLU A 22 21.606 -14.125 -10.755 1.00 0.00 C ATOM 324 OE1 GLU A 22 21.433 -14.998 -9.879 1.00 0.00 O ATOM 325 OE2 GLU A 22 21.998 -14.385 -11.912 1.00 0.00 O ATOM 0 H GLU A 22 19.832 -9.913 -9.649 1.00 0.00 H new ATOM 0 HA GLU A 22 18.558 -12.446 -10.527 1.00 0.00 H new ATOM 0 HB2 GLU A 22 20.726 -11.974 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 20.040 -13.524 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 20.985 -12.145 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 22 22.256 -12.202 -10.075 1.00 0.00 H new ATOM 332 N CYS A 23 17.000 -12.531 -8.533 1.00 0.00 N ATOM 333 CA CYS A 23 16.022 -12.449 -7.457 1.00 0.00 C ATOM 334 C CYS A 23 15.748 -13.812 -6.832 1.00 0.00 C ATOM 335 O CYS A 23 15.528 -14.799 -7.533 1.00 0.00 O ATOM 336 CB CYS A 23 14.718 -11.845 -7.981 1.00 0.00 C ATOM 337 SG CYS A 23 14.920 -10.209 -8.756 1.00 0.00 S ATOM 0 H CYS A 23 16.819 -13.259 -9.224 1.00 0.00 H new ATOM 0 HA CYS A 23 16.439 -11.807 -6.681 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.279 -12.528 -8.708 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.011 -11.760 -7.156 1.00 0.00 H new ATOM 342 N LYS A 24 15.776 -13.856 -5.507 1.00 0.00 N ATOM 343 CA LYS A 24 15.537 -15.096 -4.780 1.00 0.00 C ATOM 344 C LYS A 24 14.101 -15.583 -4.965 1.00 0.00 C ATOM 345 O LYS A 24 13.153 -14.800 -4.914 1.00 0.00 O ATOM 346 CB LYS A 24 15.839 -14.908 -3.291 1.00 0.00 C ATOM 347 CG LYS A 24 14.957 -13.870 -2.616 1.00 0.00 C ATOM 348 CD LYS A 24 14.620 -14.266 -1.186 1.00 0.00 C ATOM 349 CE LYS A 24 15.369 -13.406 -0.179 1.00 0.00 C ATOM 350 NZ LYS A 24 15.526 -14.092 1.133 1.00 0.00 N ATOM 0 H LYS A 24 15.962 -13.048 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 24 16.206 -15.853 -5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.716 -15.863 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.883 -14.616 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 24 15.464 -12.905 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 24 14.037 -13.747 -3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.547 -14.168 -1.023 1.00 0.00 H new ATOM 0 HD3 LYS A 24 14.871 -15.315 -1.029 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.352 -13.155 -0.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.834 -12.467 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.041 -13.472 1.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.588 -14.309 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.059 -14.975 1.001 1.00 0.00 H new ATOM 364 N THR A 25 13.956 -16.887 -5.180 1.00 0.00 N ATOM 365 CA THR A 25 12.643 -17.493 -5.372 1.00 0.00 C ATOM 366 C THR A 25 12.029 -17.875 -4.029 1.00 0.00 C ATOM 367 O THR A 25 12.612 -17.610 -2.977 1.00 0.00 O ATOM 368 CB THR A 25 12.751 -18.720 -6.280 1.00 0.00 C ATOM 369 OG1 THR A 25 13.509 -19.743 -5.659 1.00 0.00 O ATOM 370 CG2 THR A 25 13.395 -18.416 -7.617 1.00 0.00 C ATOM 0 H THR A 25 14.734 -17.546 -5.226 1.00 0.00 H new ATOM 0 HA THR A 25 11.992 -16.763 -5.852 1.00 0.00 H new ATOM 0 HB THR A 25 11.724 -19.044 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.564 -20.518 -6.256 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.442 -19.327 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.804 -17.667 -8.144 1.00 0.00 H new ATOM 0 HG23 THR A 25 14.404 -18.035 -7.457 1.00 0.00 H new ATOM 378 N ARG A 26 10.847 -18.482 -4.060 1.00 0.00 N ATOM 379 CA ARG A 26 10.168 -18.878 -2.831 1.00 0.00 C ATOM 380 C ARG A 26 10.990 -19.904 -2.048 1.00 0.00 C ATOM 381 O ARG A 26 10.889 -19.984 -0.823 1.00 0.00 O ATOM 382 CB ARG A 26 8.775 -19.434 -3.148 1.00 0.00 C ATOM 383 CG ARG A 26 7.921 -18.492 -3.986 1.00 0.00 C ATOM 384 CD ARG A 26 6.940 -17.699 -3.130 1.00 0.00 C ATOM 385 NE ARG A 26 7.097 -16.255 -3.312 1.00 0.00 N ATOM 386 CZ ARG A 26 6.649 -15.584 -4.373 1.00 0.00 C ATOM 387 NH1 ARG A 26 5.974 -16.209 -5.329 1.00 0.00 N ATOM 388 NH2 ARG A 26 6.868 -14.279 -4.472 1.00 0.00 N ATOM 0 H ARG A 26 10.342 -18.709 -4.917 1.00 0.00 H new ATOM 0 HA ARG A 26 10.059 -17.992 -2.206 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.882 -20.381 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.256 -19.647 -2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.567 -17.803 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.370 -19.067 -4.731 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.920 -17.988 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.089 -17.951 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 26 7.579 -15.730 -2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.794 -17.210 -5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.635 -15.688 -6.138 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.379 -13.790 -3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.526 -13.765 -5.283 1.00 0.00 H new ATOM 402 N ALA A 27 11.786 -20.700 -2.761 1.00 0.00 N ATOM 403 CA ALA A 27 12.606 -21.730 -2.127 1.00 0.00 C ATOM 404 C ALA A 27 13.903 -21.168 -1.542 1.00 0.00 C ATOM 405 O ALA A 27 14.784 -21.929 -1.141 1.00 0.00 O ATOM 406 CB ALA A 27 12.923 -22.833 -3.126 1.00 0.00 C ATOM 0 H ALA A 27 11.880 -20.651 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 27 12.027 -22.137 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.534 -23.596 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.995 -23.282 -3.479 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.467 -22.413 -3.972 1.00 0.00 H new ATOM 412 N GLN A 28 14.040 -19.842 -1.523 1.00 0.00 N ATOM 413 CA GLN A 28 15.256 -19.204 -1.020 1.00 0.00 C ATOM 414 C GLN A 28 16.441 -19.514 -1.928 1.00 0.00 C ATOM 415 O GLN A 28 17.569 -19.692 -1.468 1.00 0.00 O ATOM 416 CB GLN A 28 15.568 -19.673 0.405 1.00 0.00 C ATOM 417 CG GLN A 28 14.360 -19.694 1.325 1.00 0.00 C ATOM 418 CD GLN A 28 14.656 -20.363 2.653 1.00 0.00 C ATOM 419 OE1 GLN A 28 14.911 -19.695 3.654 1.00 0.00 O ATOM 420 NE2 GLN A 28 14.624 -21.692 2.668 1.00 0.00 N ATOM 0 H GLN A 28 13.326 -19.191 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 28 15.086 -18.127 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.997 -20.674 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 28 16.328 -19.019 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 28 14.024 -18.672 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 28 13.541 -20.217 0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.408 -22.207 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.815 -22.197 3.533 1.00 0.00 H new ATOM 429 N GLN A 29 16.166 -19.540 -3.227 1.00 0.00 N ATOM 430 CA GLN A 29 17.185 -19.787 -4.239 1.00 0.00 C ATOM 431 C GLN A 29 17.278 -18.572 -5.156 1.00 0.00 C ATOM 432 O GLN A 29 16.257 -18.013 -5.548 1.00 0.00 O ATOM 433 CB GLN A 29 16.840 -21.043 -5.045 1.00 0.00 C ATOM 434 CG GLN A 29 16.666 -22.286 -4.186 1.00 0.00 C ATOM 435 CD GLN A 29 15.986 -23.421 -4.927 1.00 0.00 C ATOM 436 OE1 GLN A 29 15.065 -23.201 -5.714 1.00 0.00 O ATOM 437 NE2 GLN A 29 16.437 -24.645 -4.677 1.00 0.00 N ATOM 0 H GLN A 29 15.231 -19.391 -3.607 1.00 0.00 H new ATOM 0 HA GLN A 29 18.148 -19.950 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 29 15.921 -20.866 -5.604 1.00 0.00 H new ATOM 0 HB3 GLN A 29 17.628 -21.224 -5.776 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.643 -22.620 -3.836 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.080 -22.033 -3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 29 17.203 -24.781 -4.017 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.018 -25.448 -5.145 1.00 0.00 H new ATOM 446 N PHE A 30 18.494 -18.144 -5.480 1.00 0.00 N ATOM 447 CA PHE A 30 18.675 -16.970 -6.332 1.00 0.00 C ATOM 448 C PHE A 30 18.797 -17.361 -7.803 1.00 0.00 C ATOM 449 O PHE A 30 19.655 -18.161 -8.176 1.00 0.00 O ATOM 450 CB PHE A 30 19.924 -16.192 -5.907 1.00 0.00 C ATOM 451 CG PHE A 30 19.768 -15.433 -4.617 1.00 0.00 C ATOM 452 CD1 PHE A 30 19.683 -16.102 -3.406 1.00 0.00 C ATOM 453 CD2 PHE A 30 19.715 -14.048 -4.617 1.00 0.00 C ATOM 454 CE1 PHE A 30 19.547 -15.404 -2.220 1.00 0.00 C ATOM 455 CE2 PHE A 30 19.581 -13.345 -3.435 1.00 0.00 C ATOM 456 CZ PHE A 30 19.496 -14.024 -2.235 1.00 0.00 C ATOM 0 H PHE A 30 19.360 -18.585 -5.171 1.00 0.00 H new ATOM 0 HA PHE A 30 17.793 -16.340 -6.214 1.00 0.00 H new ATOM 0 HB2 PHE A 30 20.756 -16.889 -5.807 1.00 0.00 H new ATOM 0 HB3 PHE A 30 20.189 -15.491 -6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 30 19.723 -17.181 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 30 19.779 -13.512 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 30 19.481 -15.937 -1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 30 19.543 -12.266 -3.449 1.00 0.00 H new ATOM 0 HZ PHE A 30 19.390 -13.477 -1.310 1.00 0.00 H new ATOM 466 N VAL A 31 17.939 -16.778 -8.637 1.00 0.00 N ATOM 467 CA VAL A 31 17.952 -17.049 -10.069 1.00 0.00 C ATOM 468 C VAL A 31 17.964 -15.741 -10.859 1.00 0.00 C ATOM 469 O VAL A 31 17.443 -14.726 -10.400 1.00 0.00 O ATOM 470 CB VAL A 31 16.732 -17.888 -10.501 1.00 0.00 C ATOM 471 CG1 VAL A 31 16.806 -19.291 -9.917 1.00 0.00 C ATOM 472 CG2 VAL A 31 15.439 -17.200 -10.090 1.00 0.00 C ATOM 0 H VAL A 31 17.224 -16.113 -8.342 1.00 0.00 H new ATOM 0 HA VAL A 31 18.857 -17.618 -10.281 1.00 0.00 H new ATOM 0 HB VAL A 31 16.744 -17.974 -11.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 15.935 -19.864 -10.235 1.00 0.00 H new ATOM 0 HG12 VAL A 31 17.713 -19.784 -10.268 1.00 0.00 H new ATOM 0 HG13 VAL A 31 16.823 -19.232 -8.829 1.00 0.00 H new ATOM 0 HG21 VAL A 31 14.589 -17.806 -10.403 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.419 -17.079 -9.007 1.00 0.00 H new ATOM 0 HG23 VAL A 31 15.381 -16.221 -10.565 1.00 0.00 H new ATOM 482 N SER A 32 18.594 -15.762 -12.029 1.00 0.00 N ATOM 483 CA SER A 32 18.702 -14.566 -12.862 1.00 0.00 C ATOM 484 C SER A 32 17.363 -14.189 -13.497 1.00 0.00 C ATOM 485 O SER A 32 16.627 -15.045 -13.988 1.00 0.00 O ATOM 486 CB SER A 32 19.757 -14.778 -13.950 1.00 0.00 C ATOM 487 OG SER A 32 20.115 -13.551 -14.560 1.00 0.00 O ATOM 0 H SER A 32 19.037 -16.592 -12.423 1.00 0.00 H new ATOM 0 HA SER A 32 19.004 -13.741 -12.216 1.00 0.00 H new ATOM 0 HB2 SER A 32 20.642 -15.244 -13.517 1.00 0.00 H new ATOM 0 HB3 SER A 32 19.373 -15.464 -14.705 1.00 0.00 H new ATOM 0 HG SER A 32 20.792 -13.714 -15.250 1.00 0.00 H new ATOM 493 N THR A 33 17.067 -12.888 -13.481 1.00 0.00 N ATOM 494 CA THR A 33 15.827 -12.357 -14.044 1.00 0.00 C ATOM 495 C THR A 33 16.060 -10.975 -14.652 1.00 0.00 C ATOM 496 O THR A 33 17.064 -10.322 -14.364 1.00 0.00 O ATOM 497 CB THR A 33 14.734 -12.281 -12.979 1.00 0.00 C ATOM 498 OG1 THR A 33 13.591 -11.614 -13.483 1.00 0.00 O ATOM 499 CG2 THR A 33 15.170 -11.559 -11.723 1.00 0.00 C ATOM 0 H THR A 33 17.678 -12.177 -13.079 1.00 0.00 H new ATOM 0 HA THR A 33 15.499 -13.037 -14.831 1.00 0.00 H new ATOM 0 HB THR A 33 14.508 -13.316 -12.722 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.126 -12.197 -14.118 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.347 -11.541 -11.009 1.00 0.00 H new ATOM 0 HG22 THR A 33 16.021 -12.078 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 33 15.457 -10.537 -11.972 1.00 0.00 H new ATOM 507 N LYS A 34 15.138 -10.535 -15.502 1.00 0.00 N ATOM 508 CA LYS A 34 15.276 -9.241 -16.152 1.00 0.00 C ATOM 509 C LYS A 34 13.932 -8.540 -16.323 1.00 0.00 C ATOM 510 O LYS A 34 12.880 -9.178 -16.381 1.00 0.00 O ATOM 511 CB LYS A 34 15.937 -9.421 -17.519 1.00 0.00 C ATOM 512 CG LYS A 34 16.571 -8.154 -18.069 1.00 0.00 C ATOM 513 CD LYS A 34 17.124 -8.376 -19.468 1.00 0.00 C ATOM 514 CE LYS A 34 16.026 -8.315 -20.518 1.00 0.00 C ATOM 515 NZ LYS A 34 16.579 -8.212 -21.896 1.00 0.00 N ATOM 0 H LYS A 34 14.295 -11.051 -15.754 1.00 0.00 H new ATOM 0 HA LYS A 34 15.898 -8.615 -15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.701 -10.194 -17.443 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.191 -9.779 -18.228 1.00 0.00 H new ATOM 0 HG2 LYS A 34 15.831 -7.354 -18.091 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.373 -7.828 -17.406 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.879 -7.621 -19.686 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.620 -9.346 -19.515 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.402 -9.206 -20.443 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.382 -7.458 -20.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.798 -8.156 -22.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.167 -7.358 -21.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.159 -9.051 -22.101 1.00 0.00 H new ATOM 529 N ILE A 35 13.994 -7.218 -16.426 1.00 0.00 N ATOM 530 CA ILE A 35 12.812 -6.387 -16.615 1.00 0.00 C ATOM 531 C ILE A 35 13.115 -5.357 -17.695 1.00 0.00 C ATOM 532 O ILE A 35 14.136 -4.673 -17.629 1.00 0.00 O ATOM 533 CB ILE A 35 12.411 -5.682 -15.302 1.00 0.00 C ATOM 534 CG1 ILE A 35 11.107 -4.900 -15.478 1.00 0.00 C ATOM 535 CG2 ILE A 35 13.528 -4.769 -14.822 1.00 0.00 C ATOM 536 CD1 ILE A 35 9.893 -5.635 -14.954 1.00 0.00 C ATOM 0 H ILE A 35 14.866 -6.692 -16.381 1.00 0.00 H new ATOM 0 HA ILE A 35 11.974 -7.015 -16.918 1.00 0.00 H new ATOM 0 HB ILE A 35 12.245 -6.446 -14.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.193 -3.943 -14.964 1.00 0.00 H new ATOM 0 HG13 ILE A 35 10.962 -4.682 -16.536 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.226 -4.281 -13.895 1.00 0.00 H new ATOM 0 HG22 ILE A 35 14.428 -5.357 -14.646 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.731 -4.013 -15.580 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.003 -5.025 -15.110 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.783 -6.580 -15.485 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.017 -5.830 -13.889 1.00 0.00 H new ATOM 548 N ASN A 36 12.259 -5.263 -18.708 1.00 0.00 N ATOM 549 CA ASN A 36 12.495 -4.336 -19.807 1.00 0.00 C ATOM 550 C ASN A 36 11.885 -2.972 -19.507 1.00 0.00 C ATOM 551 O ASN A 36 10.672 -2.850 -19.332 1.00 0.00 O ATOM 552 CB ASN A 36 11.895 -4.902 -21.089 1.00 0.00 C ATOM 553 CG ASN A 36 12.527 -4.314 -22.333 1.00 0.00 C ATOM 554 OD1 ASN A 36 13.166 -3.265 -22.282 1.00 0.00 O ATOM 555 ND2 ASN A 36 12.351 -4.994 -23.460 1.00 0.00 N ATOM 0 H ASN A 36 11.404 -5.812 -18.790 1.00 0.00 H new ATOM 0 HA ASN A 36 13.571 -4.209 -19.931 1.00 0.00 H new ATOM 0 HB2 ASN A 36 12.021 -5.985 -21.098 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.823 -4.706 -21.102 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.754 -4.650 -24.332 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.813 -5.860 -23.454 1.00 0.00 H new ATOM 562 N LEU A 37 12.728 -1.952 -19.447 1.00 0.00 N ATOM 563 CA LEU A 37 12.267 -0.599 -19.162 1.00 0.00 C ATOM 564 C LEU A 37 11.882 0.152 -20.438 1.00 0.00 C ATOM 565 O LEU A 37 11.235 1.198 -20.372 1.00 0.00 O ATOM 566 CB LEU A 37 13.344 0.172 -18.398 1.00 0.00 C ATOM 567 CG LEU A 37 13.870 -0.532 -17.143 1.00 0.00 C ATOM 568 CD1 LEU A 37 14.988 -1.502 -17.498 1.00 0.00 C ATOM 569 CD2 LEU A 37 14.350 0.487 -16.122 1.00 0.00 C ATOM 0 H LEU A 37 13.734 -2.034 -19.592 1.00 0.00 H new ATOM 0 HA LEU A 37 11.372 -0.677 -18.545 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.181 0.360 -19.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.941 1.143 -18.111 1.00 0.00 H new ATOM 0 HG LEU A 37 13.052 -1.102 -16.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 15.347 -1.991 -16.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.611 -2.254 -18.191 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.808 -0.957 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.720 -0.031 -15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 37 15.152 1.085 -16.554 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.522 1.138 -15.841 1.00 0.00 H new ATOM 581 N ASP A 38 12.310 -0.352 -21.597 1.00 0.00 N ATOM 582 CA ASP A 38 12.019 0.319 -22.860 1.00 0.00 C ATOM 583 C ASP A 38 10.511 0.519 -23.067 1.00 0.00 C ATOM 584 O ASP A 38 10.076 1.599 -23.468 1.00 0.00 O ATOM 585 CB ASP A 38 12.635 -0.451 -24.041 1.00 0.00 C ATOM 586 CG ASP A 38 11.788 -1.622 -24.509 1.00 0.00 C ATOM 587 OD1 ASP A 38 11.241 -2.342 -23.651 1.00 0.00 O ATOM 588 OD2 ASP A 38 11.675 -1.818 -25.738 1.00 0.00 O ATOM 0 H ASP A 38 12.852 -1.211 -21.685 1.00 0.00 H new ATOM 0 HA ASP A 38 12.475 1.308 -22.816 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.783 0.236 -24.874 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.620 -0.818 -23.751 1.00 0.00 H new ATOM 593 N ASP A 39 9.710 -0.506 -22.778 1.00 0.00 N ATOM 594 CA ASP A 39 8.255 -0.391 -22.925 1.00 0.00 C ATOM 595 C ASP A 39 7.591 0.045 -21.621 1.00 0.00 C ATOM 596 O ASP A 39 6.408 0.379 -21.607 1.00 0.00 O ATOM 597 CB ASP A 39 7.621 -1.697 -23.406 1.00 0.00 C ATOM 598 CG ASP A 39 8.566 -2.541 -24.239 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.779 -2.203 -25.424 1.00 0.00 O ATOM 600 OD2 ASP A 39 9.090 -3.542 -23.708 1.00 0.00 O ATOM 0 H ASP A 39 10.035 -1.414 -22.445 1.00 0.00 H new ATOM 0 HA ASP A 39 8.086 0.375 -23.682 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.292 -2.275 -22.542 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.732 -1.468 -23.994 1.00 0.00 H new ATOM 605 N HIS A 40 8.347 0.043 -20.525 1.00 0.00 N ATOM 606 CA HIS A 40 7.807 0.447 -19.228 1.00 0.00 C ATOM 607 C HIS A 40 8.150 1.908 -18.969 1.00 0.00 C ATOM 608 O HIS A 40 7.266 2.763 -18.906 1.00 0.00 O ATOM 609 CB HIS A 40 8.372 -0.441 -18.113 1.00 0.00 C ATOM 610 CG HIS A 40 7.555 -1.674 -17.858 1.00 0.00 C ATOM 611 ND1 HIS A 40 7.888 -2.988 -17.915 1.00 0.00 N flip ATOM 612 CD2 HIS A 40 6.222 -1.635 -17.502 1.00 0.00 C flip ATOM 613 CE1 HIS A 40 6.761 -3.706 -17.596 1.00 0.00 C flip ATOM 614 NE2 HIS A 40 5.771 -2.867 -17.350 1.00 0.00 N flip ATOM 0 H HIS A 40 9.329 -0.232 -20.508 1.00 0.00 H new ATOM 0 HA HIS A 40 6.723 0.330 -19.239 1.00 0.00 H new ATOM 0 HB2 HIS A 40 9.388 -0.736 -18.374 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.435 0.140 -17.193 1.00 0.00 H new ATOM 0 HD1 HIS A 40 8.804 -3.371 -18.151 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.638 -0.736 -17.368 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.695 -4.783 -17.553 1.00 0.00 H new ATOM 623 N ILE A 41 9.444 2.187 -18.838 1.00 0.00 N ATOM 624 CA ILE A 41 9.912 3.546 -18.613 1.00 0.00 C ATOM 625 C ILE A 41 9.972 4.321 -19.926 1.00 0.00 C ATOM 626 O ILE A 41 10.214 3.747 -20.985 1.00 0.00 O ATOM 627 CB ILE A 41 11.303 3.574 -17.950 1.00 0.00 C ATOM 628 CG1 ILE A 41 11.357 2.612 -16.760 1.00 0.00 C ATOM 629 CG2 ILE A 41 11.646 4.989 -17.511 1.00 0.00 C ATOM 630 CD1 ILE A 41 10.278 2.859 -15.729 1.00 0.00 C ATOM 0 H ILE A 41 10.185 1.488 -18.884 1.00 0.00 H new ATOM 0 HA ILE A 41 9.197 4.017 -17.938 1.00 0.00 H new ATOM 0 HB ILE A 41 12.042 3.247 -18.682 1.00 0.00 H new ATOM 0 HG12 ILE A 41 11.270 1.589 -17.127 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.332 2.696 -16.280 1.00 0.00 H new ATOM 0 HG21 ILE A 41 12.631 4.996 -17.044 1.00 0.00 H new ATOM 0 HG22 ILE A 41 11.651 5.648 -18.379 1.00 0.00 H new ATOM 0 HG23 ILE A 41 10.902 5.338 -16.795 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.380 2.140 -14.916 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.377 3.870 -15.333 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.298 2.746 -16.193 1.00 0.00 H new ATOM 642 N ALA A 42 9.741 5.625 -19.840 1.00 0.00 N ATOM 643 CA ALA A 42 9.758 6.493 -21.021 1.00 0.00 C ATOM 644 C ALA A 42 10.456 7.820 -20.740 1.00 0.00 C ATOM 645 O ALA A 42 10.814 8.122 -19.601 1.00 0.00 O ATOM 646 CB ALA A 42 8.338 6.755 -21.495 1.00 0.00 C ATOM 0 H ALA A 42 9.539 6.110 -18.966 1.00 0.00 H new ATOM 0 HA ALA A 42 10.319 5.976 -21.800 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.361 7.401 -22.373 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.860 5.810 -21.752 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.773 7.243 -20.700 1.00 0.00 H new ATOM 652 N ASN A 43 10.658 8.602 -21.800 1.00 0.00 N ATOM 653 CA ASN A 43 11.319 9.900 -21.694 1.00 0.00 C ATOM 654 C ASN A 43 10.330 11.027 -21.977 1.00 0.00 C ATOM 655 O ASN A 43 9.896 11.218 -23.113 1.00 0.00 O ATOM 656 CB ASN A 43 12.493 9.974 -22.675 1.00 0.00 C ATOM 657 CG ASN A 43 13.188 11.322 -22.657 1.00 0.00 C ATOM 658 OD1 ASN A 43 13.876 11.666 -21.695 1.00 0.00 O ATOM 659 ND2 ASN A 43 13.012 12.092 -23.727 1.00 0.00 N ATOM 0 H ASN A 43 10.371 8.356 -22.747 1.00 0.00 H new ATOM 0 HA ASN A 43 11.697 10.015 -20.678 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.215 9.195 -22.431 1.00 0.00 H new ATOM 0 HB3 ASN A 43 12.132 9.770 -23.683 1.00 0.00 H new ATOM 0 HD21 ASN A 43 13.456 13.009 -23.774 1.00 0.00 H new ATOM 0 HD22 ASN A 43 12.433 11.765 -24.501 1.00 0.00 H new ATOM 666 N ILE A 44 9.981 11.770 -20.934 1.00 0.00 N ATOM 667 CA ILE A 44 9.047 12.878 -21.059 1.00 0.00 C ATOM 668 C ILE A 44 9.769 14.214 -20.890 1.00 0.00 C ATOM 669 O ILE A 44 9.876 14.737 -19.782 1.00 0.00 O ATOM 670 CB ILE A 44 7.915 12.756 -20.018 1.00 0.00 C ATOM 671 CG1 ILE A 44 7.229 11.394 -20.148 1.00 0.00 C ATOM 672 CG2 ILE A 44 6.903 13.884 -20.177 1.00 0.00 C ATOM 673 CD1 ILE A 44 6.512 11.196 -21.467 1.00 0.00 C ATOM 0 H ILE A 44 10.334 11.623 -19.988 1.00 0.00 H new ATOM 0 HA ILE A 44 8.611 12.840 -22.057 1.00 0.00 H new ATOM 0 HB ILE A 44 8.351 12.837 -19.022 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.975 10.609 -20.029 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.513 11.279 -19.335 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.116 13.774 -19.431 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.402 14.843 -20.039 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.466 13.843 -21.175 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.051 10.209 -21.486 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.742 11.959 -21.580 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.227 11.278 -22.286 1.00 0.00 H new ATOM 685 N ASP A 45 10.267 14.753 -22.001 1.00 0.00 N ATOM 686 CA ASP A 45 10.990 16.026 -21.992 1.00 0.00 C ATOM 687 C ASP A 45 12.319 15.903 -21.248 1.00 0.00 C ATOM 688 O ASP A 45 12.723 16.810 -20.522 1.00 0.00 O ATOM 689 CB ASP A 45 10.134 17.127 -21.361 1.00 0.00 C ATOM 690 CG ASP A 45 10.782 18.496 -21.468 1.00 0.00 C ATOM 691 OD1 ASP A 45 11.701 18.654 -22.300 1.00 0.00 O ATOM 692 OD2 ASP A 45 10.369 19.409 -20.722 1.00 0.00 O ATOM 0 H ASP A 45 10.183 14.327 -22.924 1.00 0.00 H new ATOM 0 HA ASP A 45 11.202 16.293 -23.027 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.159 17.150 -21.848 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.960 16.891 -20.311 1.00 0.00 H new ATOM 697 N GLY A 46 13.000 14.778 -21.445 1.00 0.00 N ATOM 698 CA GLY A 46 14.282 14.561 -20.798 1.00 0.00 C ATOM 699 C GLY A 46 14.162 13.988 -19.395 1.00 0.00 C ATOM 700 O GLY A 46 15.172 13.767 -18.725 1.00 0.00 O ATOM 0 H GLY A 46 12.687 14.012 -22.042 1.00 0.00 H new ATOM 0 HA2 GLY A 46 14.879 13.884 -21.409 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.821 15.507 -20.751 1.00 0.00 H new ATOM 704 N THR A 47 12.934 13.745 -18.944 1.00 0.00 N ATOM 705 CA THR A 47 12.709 13.198 -17.610 1.00 0.00 C ATOM 706 C THR A 47 12.119 11.794 -17.676 1.00 0.00 C ATOM 707 O THR A 47 11.257 11.506 -18.507 1.00 0.00 O ATOM 708 CB THR A 47 11.778 14.114 -16.814 1.00 0.00 C ATOM 709 OG1 THR A 47 12.276 15.439 -16.794 1.00 0.00 O ATOM 710 CG2 THR A 47 11.587 13.674 -15.378 1.00 0.00 C ATOM 0 H THR A 47 12.084 13.917 -19.480 1.00 0.00 H new ATOM 0 HA THR A 47 13.675 13.138 -17.108 1.00 0.00 H new ATOM 0 HB THR A 47 10.816 14.060 -17.324 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.666 16.010 -16.282 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.916 14.367 -14.871 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.157 12.673 -15.358 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.551 13.665 -14.869 1.00 0.00 H new ATOM 718 N LEU A 48 12.618 10.919 -16.813 1.00 0.00 N ATOM 719 CA LEU A 48 12.173 9.532 -16.790 1.00 0.00 C ATOM 720 C LEU A 48 10.816 9.402 -16.109 1.00 0.00 C ATOM 721 O LEU A 48 10.658 9.692 -14.922 1.00 0.00 O ATOM 722 CB LEU A 48 13.204 8.660 -16.069 1.00 0.00 C ATOM 723 CG LEU A 48 14.569 8.568 -16.755 1.00 0.00 C ATOM 724 CD1 LEU A 48 15.649 8.198 -15.753 1.00 0.00 C ATOM 725 CD2 LEU A 48 14.524 7.559 -17.892 1.00 0.00 C ATOM 0 H LEU A 48 13.331 11.145 -16.120 1.00 0.00 H new ATOM 0 HA LEU A 48 12.072 9.193 -17.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.347 9.051 -15.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.798 7.654 -15.966 1.00 0.00 H new ATOM 0 HG LEU A 48 14.812 9.546 -17.171 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.611 8.138 -16.261 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.697 8.958 -14.973 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.414 7.232 -15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.502 7.505 -18.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.258 6.578 -17.498 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.779 7.869 -18.625 1.00 0.00 H new ATOM 737 N LYS A 49 9.841 8.951 -16.892 1.00 0.00 N ATOM 738 CA LYS A 49 8.480 8.758 -16.420 1.00 0.00 C ATOM 739 C LYS A 49 7.942 7.427 -16.924 1.00 0.00 C ATOM 740 O LYS A 49 8.483 6.849 -17.866 1.00 0.00 O ATOM 741 CB LYS A 49 7.573 9.892 -16.897 1.00 0.00 C ATOM 742 CG LYS A 49 8.022 11.271 -16.448 1.00 0.00 C ATOM 743 CD LYS A 49 6.876 12.267 -16.513 1.00 0.00 C ATOM 744 CE LYS A 49 7.264 13.609 -15.918 1.00 0.00 C ATOM 745 NZ LYS A 49 6.101 14.291 -15.290 1.00 0.00 N ATOM 0 H LYS A 49 9.976 8.709 -17.874 1.00 0.00 H new ATOM 0 HA LYS A 49 8.492 8.758 -15.330 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.526 9.873 -17.986 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.562 9.713 -16.531 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.405 11.218 -15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.842 11.613 -17.079 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.571 12.403 -17.550 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.015 11.867 -15.978 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.046 13.464 -15.173 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.681 14.246 -16.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.405 15.204 -14.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.365 14.452 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.718 13.695 -14.529 1.00 0.00 H new ATOM 759 N TRP A 50 6.876 6.944 -16.303 1.00 0.00 N ATOM 760 CA TRP A 50 6.282 5.675 -16.704 1.00 0.00 C ATOM 761 C TRP A 50 5.292 5.868 -17.857 1.00 0.00 C ATOM 762 O TRP A 50 4.289 6.568 -17.720 1.00 0.00 O ATOM 763 CB TRP A 50 5.600 5.013 -15.504 1.00 0.00 C ATOM 764 CG TRP A 50 6.579 4.350 -14.584 1.00 0.00 C ATOM 765 CD1 TRP A 50 7.274 3.201 -14.825 1.00 0.00 C ATOM 766 CD2 TRP A 50 6.989 4.801 -13.287 1.00 0.00 C ATOM 767 NE1 TRP A 50 8.095 2.914 -13.763 1.00 0.00 N ATOM 768 CE2 TRP A 50 7.935 3.879 -12.805 1.00 0.00 C ATOM 769 CE3 TRP A 50 6.651 5.895 -12.487 1.00 0.00 C ATOM 770 CZ2 TRP A 50 8.546 4.017 -11.563 1.00 0.00 C ATOM 771 CZ3 TRP A 50 7.259 6.029 -11.253 1.00 0.00 C ATOM 772 CH2 TRP A 50 8.196 5.094 -10.801 1.00 0.00 C ATOM 0 H TRP A 50 6.406 7.407 -15.525 1.00 0.00 H new ATOM 0 HA TRP A 50 7.077 5.019 -17.060 1.00 0.00 H new ATOM 0 HB2 TRP A 50 5.036 5.764 -14.950 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.882 4.274 -15.860 1.00 0.00 H new ATOM 0 HD1 TRP A 50 7.190 2.604 -15.721 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.722 2.112 -13.698 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.928 6.622 -12.826 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 9.272 3.297 -11.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 7.006 6.871 -10.626 1.00 0.00 H new ATOM 0 HH2 TRP A 50 8.651 5.227 -9.831 1.00 0.00 H new ATOM 783 N GLN A 51 5.596 5.240 -18.993 1.00 0.00 N ATOM 784 CA GLN A 51 4.755 5.327 -20.190 1.00 0.00 C ATOM 785 C GLN A 51 5.277 4.367 -21.257 1.00 0.00 C ATOM 786 O GLN A 51 6.486 4.196 -21.395 1.00 0.00 O ATOM 787 CB GLN A 51 4.754 6.761 -20.735 1.00 0.00 C ATOM 788 CG GLN A 51 3.952 6.935 -22.018 1.00 0.00 C ATOM 789 CD GLN A 51 4.150 8.301 -22.649 1.00 0.00 C ATOM 790 OE1 GLN A 51 4.978 8.470 -23.544 1.00 0.00 O ATOM 791 NE2 GLN A 51 3.384 9.284 -22.185 1.00 0.00 N ATOM 0 H GLN A 51 6.427 4.660 -19.111 1.00 0.00 H new ATOM 0 HA GLN A 51 3.734 5.052 -19.925 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.351 7.428 -19.973 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.783 7.070 -20.917 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.243 6.164 -22.731 1.00 0.00 H new ATOM 0 HG3 GLN A 51 2.894 6.788 -21.803 1.00 0.00 H new ATOM 0 HE21 GLN A 51 2.711 9.098 -21.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.470 10.224 -22.572 1.00 0.00 H new ATOM 800 N PRO A 52 4.380 3.710 -22.021 1.00 0.00 N ATOM 801 CA PRO A 52 4.792 2.758 -23.056 1.00 0.00 C ATOM 802 C PRO A 52 5.564 3.427 -24.189 1.00 0.00 C ATOM 803 O PRO A 52 5.059 3.592 -25.300 1.00 0.00 O ATOM 804 CB PRO A 52 3.476 2.158 -23.555 1.00 0.00 C ATOM 805 CG PRO A 52 2.432 3.161 -23.193 1.00 0.00 C ATOM 806 CD PRO A 52 2.912 3.831 -21.932 1.00 0.00 C ATOM 0 HA PRO A 52 5.478 2.007 -22.665 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.503 1.987 -24.631 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.278 1.195 -23.085 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.297 3.889 -23.993 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.467 2.679 -23.035 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.596 4.873 -21.885 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.521 3.339 -21.041 1.00 0.00 H new ATOM 814 N SER A 53 6.802 3.792 -23.880 1.00 0.00 N ATOM 815 CA SER A 53 7.706 4.433 -24.828 1.00 0.00 C ATOM 816 C SER A 53 9.131 4.322 -24.296 1.00 0.00 C ATOM 817 O SER A 53 9.366 4.535 -23.110 1.00 0.00 O ATOM 818 CB SER A 53 7.325 5.901 -25.034 1.00 0.00 C ATOM 819 OG SER A 53 6.939 6.506 -23.813 1.00 0.00 O ATOM 0 H SER A 53 7.211 3.650 -22.956 1.00 0.00 H new ATOM 0 HA SER A 53 7.633 3.934 -25.794 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.170 6.442 -25.460 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.507 5.970 -25.752 1.00 0.00 H new ATOM 0 HG SER A 53 6.233 7.165 -23.983 1.00 0.00 H new ATOM 825 N ASN A 54 10.073 3.951 -25.157 1.00 0.00 N ATOM 826 CA ASN A 54 11.466 3.778 -24.727 1.00 0.00 C ATOM 827 C ASN A 54 12.225 5.098 -24.675 1.00 0.00 C ATOM 828 O ASN A 54 12.561 5.680 -25.706 1.00 0.00 O ATOM 829 CB ASN A 54 12.215 2.797 -25.641 1.00 0.00 C ATOM 830 CG ASN A 54 11.296 1.848 -26.391 1.00 0.00 C ATOM 831 OD1 ASN A 54 10.660 0.978 -25.796 1.00 0.00 O ATOM 832 ND2 ASN A 54 11.230 2.009 -27.709 1.00 0.00 N ATOM 0 H ASN A 54 9.906 3.765 -26.146 1.00 0.00 H new ATOM 0 HA ASN A 54 11.422 3.369 -23.717 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.807 3.363 -26.361 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.914 2.215 -25.041 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.635 1.398 -28.268 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.775 2.744 -28.161 1.00 0.00 H new ATOM 839 N PHE A 55 12.521 5.541 -23.457 1.00 0.00 N ATOM 840 CA PHE A 55 13.272 6.771 -23.234 1.00 0.00 C ATOM 841 C PHE A 55 14.529 6.809 -24.108 1.00 0.00 C ATOM 842 O PHE A 55 14.989 7.876 -24.512 1.00 0.00 O ATOM 843 CB PHE A 55 13.654 6.881 -21.755 1.00 0.00 C ATOM 844 CG PHE A 55 14.374 5.669 -21.234 1.00 0.00 C ATOM 845 CD1 PHE A 55 15.730 5.501 -21.464 1.00 0.00 C ATOM 846 CD2 PHE A 55 13.693 4.693 -20.525 1.00 0.00 C ATOM 847 CE1 PHE A 55 16.393 4.383 -20.995 1.00 0.00 C ATOM 848 CE2 PHE A 55 14.350 3.573 -20.053 1.00 0.00 C ATOM 849 CZ PHE A 55 15.702 3.417 -20.290 1.00 0.00 C ATOM 0 H PHE A 55 12.248 5.059 -22.600 1.00 0.00 H new ATOM 0 HA PHE A 55 12.643 7.618 -23.508 1.00 0.00 H new ATOM 0 HB2 PHE A 55 14.286 7.758 -21.615 1.00 0.00 H new ATOM 0 HB3 PHE A 55 12.751 7.040 -21.165 1.00 0.00 H new ATOM 0 HD1 PHE A 55 16.275 6.252 -22.016 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.635 4.809 -20.339 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.451 4.265 -21.180 1.00 0.00 H new ATOM 0 HE2 PHE A 55 13.808 2.821 -19.500 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.218 2.541 -19.925 1.00 0.00 H new ATOM 859 N SER A 56 15.078 5.625 -24.386 1.00 0.00 N ATOM 860 CA SER A 56 16.296 5.488 -25.189 1.00 0.00 C ATOM 861 C SER A 56 16.244 6.282 -26.498 1.00 0.00 C ATOM 862 O SER A 56 17.281 6.529 -27.115 1.00 0.00 O ATOM 863 CB SER A 56 16.559 4.013 -25.496 1.00 0.00 C ATOM 864 OG SER A 56 15.555 3.474 -26.339 1.00 0.00 O ATOM 0 H SER A 56 14.693 4.737 -24.063 1.00 0.00 H new ATOM 0 HA SER A 56 17.110 5.902 -24.594 1.00 0.00 H new ATOM 0 HB2 SER A 56 17.533 3.907 -25.974 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.597 3.447 -24.565 1.00 0.00 H new ATOM 0 HG SER A 56 15.751 2.531 -26.519 1.00 0.00 H new ATOM 870 N GLN A 57 15.047 6.677 -26.931 1.00 0.00 N ATOM 871 CA GLN A 57 14.909 7.426 -28.179 1.00 0.00 C ATOM 872 C GLN A 57 15.646 8.762 -28.104 1.00 0.00 C ATOM 873 O GLN A 57 16.106 9.279 -29.122 1.00 0.00 O ATOM 874 CB GLN A 57 13.431 7.668 -28.497 1.00 0.00 C ATOM 875 CG GLN A 57 12.673 6.407 -28.878 1.00 0.00 C ATOM 876 CD GLN A 57 12.728 6.120 -30.366 1.00 0.00 C ATOM 877 OE1 GLN A 57 13.218 5.074 -30.790 1.00 0.00 O ATOM 878 NE2 GLN A 57 12.223 7.050 -31.168 1.00 0.00 N ATOM 0 H GLN A 57 14.170 6.494 -26.444 1.00 0.00 H new ATOM 0 HA GLN A 57 15.354 6.830 -28.975 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.951 8.121 -27.629 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.357 8.386 -29.314 1.00 0.00 H new ATOM 0 HG2 GLN A 57 13.088 5.559 -28.333 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.632 6.506 -28.569 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.826 7.903 -30.774 1.00 0.00 H new ATOM 0 HE22 GLN A 57 12.232 6.911 -32.179 1.00 0.00 H new ATOM 887 N THR A 58 15.764 9.315 -26.900 1.00 0.00 N ATOM 888 CA THR A 58 16.458 10.587 -26.717 1.00 0.00 C ATOM 889 C THR A 58 17.518 10.491 -25.619 1.00 0.00 C ATOM 890 O THR A 58 18.177 11.482 -25.305 1.00 0.00 O ATOM 891 CB THR A 58 15.473 11.700 -26.336 1.00 0.00 C ATOM 892 OG1 THR A 58 15.180 11.646 -24.953 1.00 0.00 O ATOM 893 CG2 THR A 58 14.152 11.638 -27.067 1.00 0.00 C ATOM 0 H THR A 58 15.392 8.907 -26.043 1.00 0.00 H new ATOM 0 HA THR A 58 16.937 10.822 -27.667 1.00 0.00 H new ATOM 0 HB THR A 58 15.978 12.624 -26.618 1.00 0.00 H new ATOM 0 HG1 THR A 58 14.884 10.742 -24.716 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.516 12.460 -26.739 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.326 11.720 -28.140 1.00 0.00 H new ATOM 0 HG23 THR A 58 13.660 10.690 -26.850 1.00 0.00 H new ATOM 901 N CYS A 59 17.658 9.317 -25.005 1.00 0.00 N ATOM 902 CA CYS A 59 18.614 9.147 -23.916 1.00 0.00 C ATOM 903 C CYS A 59 19.792 8.258 -24.303 1.00 0.00 C ATOM 904 O CYS A 59 19.664 7.348 -25.124 1.00 0.00 O ATOM 905 CB CYS A 59 17.911 8.557 -22.692 1.00 0.00 C ATOM 906 SG CYS A 59 16.297 9.315 -22.321 1.00 0.00 S ATOM 0 H CYS A 59 17.127 8.479 -25.241 1.00 0.00 H new ATOM 0 HA CYS A 59 19.011 10.135 -23.684 1.00 0.00 H new ATOM 0 HB2 CYS A 59 17.770 7.487 -22.848 1.00 0.00 H new ATOM 0 HB3 CYS A 59 18.561 8.670 -21.824 1.00 0.00 H new ATOM 911 N TYR A 60 20.946 8.549 -23.702 1.00 0.00 N ATOM 912 CA TYR A 60 22.174 7.796 -23.955 1.00 0.00 C ATOM 913 C TYR A 60 22.959 7.614 -22.658 1.00 0.00 C ATOM 914 O TYR A 60 22.779 8.370 -21.703 1.00 0.00 O ATOM 915 CB TYR A 60 23.041 8.520 -24.989 1.00 0.00 C ATOM 916 CG TYR A 60 23.419 9.929 -24.586 1.00 0.00 C ATOM 917 CD1 TYR A 60 22.477 10.950 -24.589 1.00 0.00 C ATOM 918 CD2 TYR A 60 24.718 10.238 -24.204 1.00 0.00 C ATOM 919 CE1 TYR A 60 22.819 12.237 -24.223 1.00 0.00 C ATOM 920 CE2 TYR A 60 25.068 11.523 -23.836 1.00 0.00 C ATOM 921 CZ TYR A 60 24.114 12.519 -23.848 1.00 0.00 C ATOM 922 OH TYR A 60 24.458 13.801 -23.482 1.00 0.00 O ATOM 0 H TYR A 60 21.056 9.309 -23.030 1.00 0.00 H new ATOM 0 HA TYR A 60 21.902 6.816 -24.347 1.00 0.00 H new ATOM 0 HB2 TYR A 60 23.950 7.943 -25.156 1.00 0.00 H new ATOM 0 HB3 TYR A 60 22.507 8.554 -25.938 1.00 0.00 H new ATOM 0 HD1 TYR A 60 21.460 10.734 -24.882 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.468 9.460 -24.194 1.00 0.00 H new ATOM 0 HE1 TYR A 60 22.074 13.019 -24.231 1.00 0.00 H new ATOM 0 HE2 TYR A 60 26.083 11.746 -23.541 1.00 0.00 H new ATOM 0 HH TYR A 60 24.207 14.423 -24.196 1.00 0.00 H new ATOM 932 N ASN A 61 23.809 6.591 -22.620 1.00 0.00 N ATOM 933 CA ASN A 61 24.606 6.297 -21.431 1.00 0.00 C ATOM 934 C ASN A 61 23.704 5.941 -20.254 1.00 0.00 C ATOM 935 O ASN A 61 23.885 6.441 -19.142 1.00 0.00 O ATOM 936 CB ASN A 61 25.498 7.486 -21.066 1.00 0.00 C ATOM 937 CG ASN A 61 26.609 7.706 -22.072 1.00 0.00 C ATOM 938 OD1 ASN A 61 27.048 6.773 -22.743 1.00 0.00 O ATOM 939 ND2 ASN A 61 27.073 8.946 -22.179 1.00 0.00 N ATOM 0 H ASN A 61 23.964 5.951 -23.399 1.00 0.00 H new ATOM 0 HA ASN A 61 25.243 5.442 -21.657 1.00 0.00 H new ATOM 0 HB2 ASN A 61 24.888 8.387 -21.000 1.00 0.00 H new ATOM 0 HB3 ASN A 61 25.932 7.322 -20.080 1.00 0.00 H new ATOM 0 HD21 ASN A 61 27.823 9.155 -22.838 1.00 0.00 H new ATOM 0 HD22 ASN A 61 26.679 9.689 -21.602 1.00 0.00 H new ATOM 946 N SER A 62 22.731 5.075 -20.508 1.00 0.00 N ATOM 947 CA SER A 62 21.809 4.644 -19.470 1.00 0.00 C ATOM 948 C SER A 62 22.533 3.772 -18.453 1.00 0.00 C ATOM 949 O SER A 62 23.321 2.899 -18.817 1.00 0.00 O ATOM 950 CB SER A 62 20.629 3.886 -20.083 1.00 0.00 C ATOM 951 OG SER A 62 19.833 4.743 -20.883 1.00 0.00 O ATOM 0 H SER A 62 22.562 4.659 -21.424 1.00 0.00 H new ATOM 0 HA SER A 62 21.422 5.526 -18.959 1.00 0.00 H new ATOM 0 HB2 SER A 62 20.999 3.058 -20.688 1.00 0.00 H new ATOM 0 HB3 SER A 62 20.019 3.453 -19.290 1.00 0.00 H new ATOM 0 HG SER A 62 19.551 4.267 -21.692 1.00 0.00 H new ATOM 957 N ALA A 63 22.268 4.021 -17.178 1.00 0.00 N ATOM 958 CA ALA A 63 22.905 3.264 -16.105 1.00 0.00 C ATOM 959 C ALA A 63 21.946 3.017 -14.943 1.00 0.00 C ATOM 960 O ALA A 63 21.020 3.795 -14.713 1.00 0.00 O ATOM 961 CB ALA A 63 24.143 4.002 -15.623 1.00 0.00 C ATOM 0 H ALA A 63 21.618 4.740 -16.860 1.00 0.00 H new ATOM 0 HA ALA A 63 23.194 2.291 -16.501 1.00 0.00 H new ATOM 0 HB1 ALA A 63 24.616 3.434 -14.822 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.844 4.116 -16.450 1.00 0.00 H new ATOM 0 HB3 ALA A 63 23.858 4.986 -15.251 1.00 0.00 H new ATOM 967 N ILE A 64 22.171 1.930 -14.209 1.00 0.00 N ATOM 968 CA ILE A 64 21.320 1.596 -13.075 1.00 0.00 C ATOM 969 C ILE A 64 22.136 1.302 -11.817 1.00 0.00 C ATOM 970 O ILE A 64 23.181 0.654 -11.870 1.00 0.00 O ATOM 971 CB ILE A 64 20.396 0.405 -13.400 1.00 0.00 C ATOM 972 CG1 ILE A 64 19.361 0.854 -14.431 1.00 0.00 C ATOM 973 CG2 ILE A 64 19.705 -0.114 -12.143 1.00 0.00 C ATOM 974 CD1 ILE A 64 18.386 -0.224 -14.827 1.00 0.00 C ATOM 0 H ILE A 64 22.931 1.271 -14.379 1.00 0.00 H new ATOM 0 HA ILE A 64 20.702 2.472 -12.877 1.00 0.00 H new ATOM 0 HB ILE A 64 20.993 -0.412 -13.805 1.00 0.00 H new ATOM 0 HG12 ILE A 64 18.806 1.702 -14.029 1.00 0.00 H new ATOM 0 HG13 ILE A 64 19.880 1.206 -15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 64 19.060 -0.953 -12.403 1.00 0.00 H new ATOM 0 HG22 ILE A 64 20.456 -0.442 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 64 19.105 0.682 -11.703 1.00 0.00 H new ATOM 0 HD11 ILE A 64 17.684 0.172 -15.561 1.00 0.00 H new ATOM 0 HD12 ILE A 64 18.929 -1.064 -15.260 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.839 -0.561 -13.947 1.00 0.00 H new ATOM 986 N GLN A 65 21.629 1.781 -10.685 1.00 0.00 N ATOM 987 CA GLN A 65 22.273 1.580 -9.392 1.00 0.00 C ATOM 988 C GLN A 65 21.222 1.179 -8.364 1.00 0.00 C ATOM 989 O GLN A 65 20.379 1.988 -7.977 1.00 0.00 O ATOM 990 CB GLN A 65 22.992 2.861 -8.946 1.00 0.00 C ATOM 991 CG GLN A 65 23.871 3.472 -10.027 1.00 0.00 C ATOM 992 CD GLN A 65 24.792 4.555 -9.498 1.00 0.00 C ATOM 993 OE1 GLN A 65 25.094 4.602 -8.306 1.00 0.00 O ATOM 994 NE2 GLN A 65 25.248 5.430 -10.387 1.00 0.00 N ATOM 0 H GLN A 65 20.763 2.318 -10.638 1.00 0.00 H new ATOM 0 HA GLN A 65 23.015 0.786 -9.480 1.00 0.00 H new ATOM 0 HB2 GLN A 65 22.249 3.595 -8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 65 23.605 2.639 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 24.470 2.687 -10.488 1.00 0.00 H new ATOM 0 HG3 GLN A 65 23.238 3.891 -10.809 1.00 0.00 H new ATOM 0 HE21 GLN A 65 24.972 5.354 -11.366 1.00 0.00 H new ATOM 0 HE22 GLN A 65 25.875 6.178 -10.091 1.00 0.00 H new ATOM 1003 N GLY A 66 21.254 -0.083 -7.947 1.00 0.00 N ATOM 1004 CA GLY A 66 20.272 -0.568 -6.994 1.00 0.00 C ATOM 1005 C GLY A 66 18.886 -0.598 -7.609 1.00 0.00 C ATOM 1006 O GLY A 66 18.668 -1.276 -8.613 1.00 0.00 O ATOM 0 H GLY A 66 21.939 -0.776 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.547 -1.568 -6.660 1.00 0.00 H new ATOM 0 HA3 GLY A 66 20.269 0.073 -6.112 1.00 0.00 H new ATOM 1010 N SER A 67 17.943 0.127 -7.015 1.00 0.00 N ATOM 1011 CA SER A 67 16.581 0.159 -7.534 1.00 0.00 C ATOM 1012 C SER A 67 16.310 1.427 -8.343 1.00 0.00 C ATOM 1013 O SER A 67 15.226 1.582 -8.908 1.00 0.00 O ATOM 1014 CB SER A 67 15.571 0.058 -6.389 1.00 0.00 C ATOM 1015 OG SER A 67 15.394 1.312 -5.751 1.00 0.00 O ATOM 0 H SER A 67 18.095 0.695 -6.182 1.00 0.00 H new ATOM 0 HA SER A 67 16.469 -0.698 -8.198 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.615 -0.296 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.914 -0.678 -5.662 1.00 0.00 H new ATOM 0 HG SER A 67 14.733 1.840 -6.245 1.00 0.00 H new ATOM 1021 N VAL A 68 17.287 2.330 -8.410 1.00 0.00 N ATOM 1022 CA VAL A 68 17.118 3.574 -9.161 1.00 0.00 C ATOM 1023 C VAL A 68 17.819 3.521 -10.518 1.00 0.00 C ATOM 1024 O VAL A 68 18.940 3.020 -10.635 1.00 0.00 O ATOM 1025 CB VAL A 68 17.647 4.794 -8.383 1.00 0.00 C ATOM 1026 CG1 VAL A 68 17.141 6.081 -9.018 1.00 0.00 C ATOM 1027 CG2 VAL A 68 17.239 4.723 -6.918 1.00 0.00 C ATOM 0 H VAL A 68 18.196 2.226 -7.958 1.00 0.00 H new ATOM 0 HA VAL A 68 16.044 3.683 -9.314 1.00 0.00 H new ATOM 0 HB VAL A 68 18.736 4.786 -8.429 1.00 0.00 H new ATOM 0 HG11 VAL A 68 17.521 6.936 -8.460 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.487 6.138 -10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 68 16.051 6.092 -9.000 1.00 0.00 H new ATOM 0 HG21 VAL A 68 17.624 5.595 -6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 68 16.152 4.705 -6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 68 17.648 3.818 -6.470 1.00 0.00 H new ATOM 1037 N LEU A 69 17.147 4.046 -11.537 1.00 0.00 N ATOM 1038 CA LEU A 69 17.688 4.078 -12.891 1.00 0.00 C ATOM 1039 C LEU A 69 18.238 5.470 -13.213 1.00 0.00 C ATOM 1040 O LEU A 69 17.530 6.470 -13.088 1.00 0.00 O ATOM 1041 CB LEU A 69 16.587 3.679 -13.889 1.00 0.00 C ATOM 1042 CG LEU A 69 16.801 4.112 -15.346 1.00 0.00 C ATOM 1043 CD1 LEU A 69 18.156 3.651 -15.858 1.00 0.00 C ATOM 1044 CD2 LEU A 69 15.682 3.571 -16.229 1.00 0.00 C ATOM 0 H LEU A 69 16.218 4.459 -11.449 1.00 0.00 H new ATOM 0 HA LEU A 69 18.511 3.367 -12.970 1.00 0.00 H new ATOM 0 HB2 LEU A 69 16.481 2.594 -13.866 1.00 0.00 H new ATOM 0 HB3 LEU A 69 15.643 4.099 -13.542 1.00 0.00 H new ATOM 0 HG LEU A 69 16.780 5.201 -15.384 1.00 0.00 H new ATOM 0 HD11 LEU A 69 18.282 3.971 -16.892 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.944 4.087 -15.245 1.00 0.00 H new ATOM 0 HD13 LEU A 69 18.214 2.564 -15.805 1.00 0.00 H new ATOM 0 HD21 LEU A 69 15.847 3.886 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 69 15.674 2.482 -16.179 1.00 0.00 H new ATOM 0 HD23 LEU A 69 14.724 3.958 -15.880 1.00 0.00 H new ATOM 1056 N THR A 70 19.507 5.535 -13.618 1.00 0.00 N ATOM 1057 CA THR A 70 20.145 6.806 -13.953 1.00 0.00 C ATOM 1058 C THR A 70 20.502 6.831 -15.435 1.00 0.00 C ATOM 1059 O THR A 70 21.177 5.930 -15.926 1.00 0.00 O ATOM 1060 CB THR A 70 21.418 6.998 -13.122 1.00 0.00 C ATOM 1061 OG1 THR A 70 21.229 6.551 -11.793 1.00 0.00 O ATOM 1062 CG2 THR A 70 21.885 8.438 -13.060 1.00 0.00 C ATOM 0 H THR A 70 20.113 4.721 -13.722 1.00 0.00 H new ATOM 0 HA THR A 70 19.448 7.614 -13.731 1.00 0.00 H new ATOM 0 HB THR A 70 22.180 6.407 -13.630 1.00 0.00 H new ATOM 0 HG1 THR A 70 22.056 6.682 -11.283 1.00 0.00 H new ATOM 0 HG21 THR A 70 22.790 8.501 -12.456 1.00 0.00 H new ATOM 0 HG22 THR A 70 22.095 8.796 -14.068 1.00 0.00 H new ATOM 0 HG23 THR A 70 21.106 9.054 -12.611 1.00 0.00 H new ATOM 1070 N SER A 71 20.038 7.845 -16.153 1.00 0.00 N ATOM 1071 CA SER A 71 20.316 7.940 -17.585 1.00 0.00 C ATOM 1072 C SER A 71 20.325 9.387 -18.060 1.00 0.00 C ATOM 1073 O SER A 71 19.668 10.245 -17.470 1.00 0.00 O ATOM 1074 CB SER A 71 19.295 7.131 -18.384 1.00 0.00 C ATOM 1075 OG SER A 71 19.348 7.464 -19.760 1.00 0.00 O ATOM 0 H SER A 71 19.474 8.606 -15.776 1.00 0.00 H new ATOM 0 HA SER A 71 21.310 7.525 -17.754 1.00 0.00 H new ATOM 0 HB2 SER A 71 19.489 6.066 -18.256 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.293 7.321 -17.999 1.00 0.00 H new ATOM 0 HG SER A 71 19.524 6.656 -20.286 1.00 0.00 H new ATOM 1081 N THR A 72 21.056 9.652 -19.142 1.00 0.00 N ATOM 1082 CA THR A 72 21.117 10.996 -19.703 1.00 0.00 C ATOM 1083 C THR A 72 20.071 11.139 -20.804 1.00 0.00 C ATOM 1084 O THR A 72 20.024 10.331 -21.730 1.00 0.00 O ATOM 1085 CB THR A 72 22.510 11.274 -20.271 1.00 0.00 C ATOM 1086 OG1 THR A 72 23.518 10.822 -19.385 1.00 0.00 O ATOM 1087 CG2 THR A 72 22.763 12.739 -20.547 1.00 0.00 C ATOM 0 H THR A 72 21.610 8.957 -19.643 1.00 0.00 H new ATOM 0 HA THR A 72 20.913 11.718 -18.912 1.00 0.00 H new ATOM 0 HB THR A 72 22.546 10.731 -21.216 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.400 11.009 -19.770 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.769 12.865 -20.948 1.00 0.00 H new ATOM 0 HG22 THR A 72 22.035 13.104 -21.272 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.668 13.305 -19.621 1.00 0.00 H new ATOM 1095 N CYS A 73 19.215 12.151 -20.696 1.00 0.00 N ATOM 1096 CA CYS A 73 18.159 12.342 -21.686 1.00 0.00 C ATOM 1097 C CYS A 73 18.131 13.753 -22.260 1.00 0.00 C ATOM 1098 O CYS A 73 18.363 14.735 -21.556 1.00 0.00 O ATOM 1099 CB CYS A 73 16.802 12.022 -21.062 1.00 0.00 C ATOM 1100 SG CYS A 73 16.607 10.282 -20.563 1.00 0.00 S ATOM 0 H CYS A 73 19.230 12.842 -19.946 1.00 0.00 H new ATOM 0 HA CYS A 73 18.372 11.662 -22.510 1.00 0.00 H new ATOM 0 HB2 CYS A 73 16.656 12.658 -20.189 1.00 0.00 H new ATOM 0 HB3 CYS A 73 16.017 12.275 -21.775 1.00 0.00 H new ATOM 1105 N GLU A 74 17.781 13.836 -23.543 1.00 0.00 N ATOM 1106 CA GLU A 74 17.668 15.119 -24.233 1.00 0.00 C ATOM 1107 C GLU A 74 16.385 15.841 -23.819 1.00 0.00 C ATOM 1108 O GLU A 74 15.321 15.228 -23.729 1.00 0.00 O ATOM 1109 CB GLU A 74 17.699 14.917 -25.752 1.00 0.00 C ATOM 1110 CG GLU A 74 17.855 16.213 -26.534 1.00 0.00 C ATOM 1111 CD GLU A 74 16.940 16.285 -27.741 1.00 0.00 C ATOM 1112 OE1 GLU A 74 15.738 16.573 -27.560 1.00 0.00 O ATOM 1113 OE2 GLU A 74 17.426 16.053 -28.868 1.00 0.00 O ATOM 0 H GLU A 74 17.570 13.027 -24.127 1.00 0.00 H new ATOM 0 HA GLU A 74 18.520 15.737 -23.948 1.00 0.00 H new ATOM 0 HB2 GLU A 74 18.522 14.248 -26.005 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.779 14.422 -26.064 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.647 17.056 -25.876 1.00 0.00 H new ATOM 0 HG3 GLU A 74 18.890 16.312 -26.862 1.00 0.00 H new ATOM 1120 N ARG A 75 16.489 17.142 -23.568 1.00 0.00 N ATOM 1121 CA ARG A 75 15.334 17.939 -23.163 1.00 0.00 C ATOM 1122 C ARG A 75 14.657 18.565 -24.381 1.00 0.00 C ATOM 1123 O ARG A 75 15.320 18.906 -25.359 1.00 0.00 O ATOM 1124 CB ARG A 75 15.771 19.031 -22.184 1.00 0.00 C ATOM 1125 CG ARG A 75 16.624 18.509 -21.038 1.00 0.00 C ATOM 1126 CD ARG A 75 16.698 19.511 -19.897 1.00 0.00 C ATOM 1127 NE ARG A 75 15.391 19.736 -19.285 1.00 0.00 N ATOM 1128 CZ ARG A 75 15.133 20.713 -18.418 1.00 0.00 C ATOM 1129 NH1 ARG A 75 16.083 21.576 -18.074 1.00 0.00 N ATOM 1130 NH2 ARG A 75 13.921 20.830 -17.896 1.00 0.00 N ATOM 0 H ARG A 75 17.360 17.668 -23.638 1.00 0.00 H new ATOM 0 HA ARG A 75 14.616 17.284 -22.670 1.00 0.00 H new ATOM 0 HB2 ARG A 75 16.331 19.792 -22.727 1.00 0.00 H new ATOM 0 HB3 ARG A 75 14.885 19.518 -21.775 1.00 0.00 H new ATOM 0 HG2 ARG A 75 16.209 17.570 -20.672 1.00 0.00 H new ATOM 0 HG3 ARG A 75 17.629 18.294 -21.400 1.00 0.00 H new ATOM 0 HD2 ARG A 75 17.396 19.150 -19.141 1.00 0.00 H new ATOM 0 HD3 ARG A 75 17.092 20.457 -20.269 1.00 0.00 H new ATOM 0 HE ARG A 75 14.629 19.106 -19.537 1.00 0.00 H new ATOM 0 HH11 ARG A 75 17.017 21.493 -18.475 1.00 0.00 H new ATOM 0 HH12 ARG A 75 15.878 22.322 -17.409 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.187 20.172 -18.158 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.722 21.578 -17.232 1.00 0.00 H new ATOM 1144 N THR A 76 13.330 18.699 -24.330 1.00 0.00 N ATOM 1145 CA THR A 76 12.576 19.268 -25.446 1.00 0.00 C ATOM 1146 C THR A 76 13.149 20.612 -25.890 1.00 0.00 C ATOM 1147 O THR A 76 13.012 20.999 -27.051 1.00 0.00 O ATOM 1148 CB THR A 76 11.105 19.443 -25.061 1.00 0.00 C ATOM 1149 OG1 THR A 76 10.568 18.235 -24.551 1.00 0.00 O ATOM 1150 CG2 THR A 76 10.233 19.879 -26.220 1.00 0.00 C ATOM 0 H THR A 76 12.759 18.422 -23.531 1.00 0.00 H new ATOM 0 HA THR A 76 12.657 18.571 -26.280 1.00 0.00 H new ATOM 0 HB THR A 76 11.098 20.226 -24.303 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.628 18.371 -24.310 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.203 19.985 -25.880 1.00 0.00 H new ATOM 0 HG22 THR A 76 10.589 20.835 -26.603 1.00 0.00 H new ATOM 0 HG23 THR A 76 10.279 19.131 -27.012 1.00 0.00 H new ATOM 1158 N ASN A 77 13.787 21.321 -24.967 1.00 0.00 N ATOM 1159 CA ASN A 77 14.371 22.621 -25.280 1.00 0.00 C ATOM 1160 C ASN A 77 15.754 22.476 -25.920 1.00 0.00 C ATOM 1161 O ASN A 77 16.416 23.473 -26.212 1.00 0.00 O ATOM 1162 CB ASN A 77 14.462 23.480 -24.017 1.00 0.00 C ATOM 1163 CG ASN A 77 13.136 24.128 -23.670 1.00 0.00 C ATOM 1164 OD1 ASN A 77 12.223 24.177 -24.493 1.00 0.00 O ATOM 1165 ND2 ASN A 77 13.023 24.628 -22.445 1.00 0.00 N ATOM 0 H ASN A 77 13.913 21.021 -24.000 1.00 0.00 H new ATOM 0 HA ASN A 77 13.718 23.113 -26.001 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.792 22.862 -23.182 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.217 24.254 -24.159 1.00 0.00 H new ATOM 0 HD21 ASN A 77 12.153 25.075 -22.155 1.00 0.00 H new ATOM 0 HD22 ASN A 77 13.806 24.565 -21.794 1.00 0.00 H new ATOM 1172 N GLY A 78 16.186 21.236 -26.135 1.00 0.00 N ATOM 1173 CA GLY A 78 17.485 20.997 -26.734 1.00 0.00 C ATOM 1174 C GLY A 78 18.583 20.886 -25.703 1.00 0.00 C ATOM 1175 O GLY A 78 18.616 21.636 -24.727 1.00 0.00 O ATOM 0 H GLY A 78 15.659 20.394 -25.905 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.448 20.080 -27.321 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.719 21.808 -27.424 1.00 0.00 H new ATOM 1179 N GLY A 79 19.462 19.925 -25.911 1.00 0.00 N ATOM 1180 CA GLY A 79 20.550 19.687 -24.981 1.00 0.00 C ATOM 1181 C GLY A 79 20.418 18.331 -24.323 1.00 0.00 C ATOM 1182 O GLY A 79 19.600 17.521 -24.753 1.00 0.00 O ATOM 0 H GLY A 79 19.445 19.297 -26.714 1.00 0.00 H new ATOM 0 HA2 GLY A 79 21.502 19.748 -25.508 1.00 0.00 H new ATOM 0 HA3 GLY A 79 20.557 20.466 -24.218 1.00 0.00 H new ATOM 1186 N TYR A 80 21.222 18.071 -23.295 1.00 0.00 N ATOM 1187 CA TYR A 80 21.168 16.786 -22.599 1.00 0.00 C ATOM 1188 C TYR A 80 21.118 16.981 -21.085 1.00 0.00 C ATOM 1189 O TYR A 80 21.766 17.873 -20.538 1.00 0.00 O ATOM 1190 CB TYR A 80 22.377 15.924 -22.971 1.00 0.00 C ATOM 1191 CG TYR A 80 22.567 15.755 -24.462 1.00 0.00 C ATOM 1192 CD1 TYR A 80 21.527 15.313 -25.267 1.00 0.00 C ATOM 1193 CD2 TYR A 80 23.785 16.046 -25.065 1.00 0.00 C ATOM 1194 CE1 TYR A 80 21.693 15.165 -26.630 1.00 0.00 C ATOM 1195 CE2 TYR A 80 23.959 15.899 -26.426 1.00 0.00 C ATOM 1196 CZ TYR A 80 22.911 15.460 -27.204 1.00 0.00 C ATOM 1197 OH TYR A 80 23.081 15.316 -28.562 1.00 0.00 O ATOM 0 H TYR A 80 21.913 18.725 -22.927 1.00 0.00 H new ATOM 0 HA TYR A 80 20.256 16.277 -22.912 1.00 0.00 H new ATOM 0 HB2 TYR A 80 23.276 16.372 -22.548 1.00 0.00 H new ATOM 0 HB3 TYR A 80 22.266 14.941 -22.514 1.00 0.00 H new ATOM 0 HD1 TYR A 80 20.572 15.081 -24.820 1.00 0.00 H new ATOM 0 HD2 TYR A 80 24.609 16.393 -24.459 1.00 0.00 H new ATOM 0 HE1 TYR A 80 20.873 14.820 -27.243 1.00 0.00 H new ATOM 0 HE2 TYR A 80 24.913 16.127 -26.879 1.00 0.00 H new ATOM 0 HH TYR A 80 23.997 15.566 -28.805 1.00 0.00 H new ATOM 1207 N ASN A 81 20.340 16.133 -20.421 1.00 0.00 N ATOM 1208 CA ASN A 81 20.194 16.187 -18.972 1.00 0.00 C ATOM 1209 C ASN A 81 19.809 14.814 -18.432 1.00 0.00 C ATOM 1210 O ASN A 81 18.864 14.190 -18.913 1.00 0.00 O ATOM 1211 CB ASN A 81 19.149 17.228 -18.567 1.00 0.00 C ATOM 1212 CG ASN A 81 19.262 17.618 -17.104 1.00 0.00 C ATOM 1213 OD1 ASN A 81 18.525 17.117 -16.257 1.00 0.00 O ATOM 1214 ND2 ASN A 81 20.194 18.514 -16.800 1.00 0.00 N ATOM 0 H ASN A 81 19.797 15.394 -20.868 1.00 0.00 H new ATOM 0 HA ASN A 81 21.151 16.481 -18.542 1.00 0.00 H new ATOM 0 HB2 ASN A 81 19.265 18.117 -19.188 1.00 0.00 H new ATOM 0 HB3 ASN A 81 18.152 16.833 -18.759 1.00 0.00 H new ATOM 0 HD21 ASN A 81 20.319 18.811 -15.832 1.00 0.00 H new ATOM 0 HD22 ASN A 81 20.785 18.905 -17.534 1.00 0.00 H new ATOM 1221 N THR A 82 20.556 14.346 -17.440 1.00 0.00 N ATOM 1222 CA THR A 82 20.305 13.041 -16.838 1.00 0.00 C ATOM 1223 C THR A 82 19.367 13.155 -15.643 1.00 0.00 C ATOM 1224 O THR A 82 19.534 14.028 -14.792 1.00 0.00 O ATOM 1225 CB THR A 82 21.617 12.379 -16.416 1.00 0.00 C ATOM 1226 OG1 THR A 82 21.372 11.291 -15.542 1.00 0.00 O ATOM 1227 CG2 THR A 82 22.568 13.325 -15.716 1.00 0.00 C ATOM 0 H THR A 82 21.343 14.852 -17.034 1.00 0.00 H new ATOM 0 HA THR A 82 19.823 12.417 -17.591 1.00 0.00 H new ATOM 0 HB THR A 82 22.082 12.044 -17.343 1.00 0.00 H new ATOM 0 HG1 THR A 82 20.706 10.694 -15.942 1.00 0.00 H new ATOM 0 HG21 THR A 82 23.478 12.791 -15.444 1.00 0.00 H new ATOM 0 HG22 THR A 82 22.817 14.150 -16.383 1.00 0.00 H new ATOM 0 HG23 THR A 82 22.095 13.717 -14.816 1.00 0.00 H new ATOM 1235 N SER A 83 18.378 12.266 -15.587 1.00 0.00 N ATOM 1236 CA SER A 83 17.405 12.256 -14.502 1.00 0.00 C ATOM 1237 C SER A 83 17.458 10.928 -13.744 1.00 0.00 C ATOM 1238 O SER A 83 17.930 9.917 -14.273 1.00 0.00 O ATOM 1239 CB SER A 83 15.997 12.491 -15.059 1.00 0.00 C ATOM 1240 OG SER A 83 15.798 11.770 -16.262 1.00 0.00 O ATOM 0 H SER A 83 18.231 11.539 -16.287 1.00 0.00 H new ATOM 0 HA SER A 83 17.651 13.059 -13.807 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.255 12.186 -14.321 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.847 13.555 -15.240 1.00 0.00 H new ATOM 0 HG SER A 83 15.924 12.369 -17.027 1.00 0.00 H new ATOM 1246 N SER A 84 16.977 10.938 -12.504 1.00 0.00 N ATOM 1247 CA SER A 84 16.971 9.737 -11.680 1.00 0.00 C ATOM 1248 C SER A 84 15.549 9.368 -11.270 1.00 0.00 C ATOM 1249 O SER A 84 14.730 10.242 -10.991 1.00 0.00 O ATOM 1250 CB SER A 84 17.830 9.946 -10.431 1.00 0.00 C ATOM 1251 OG SER A 84 17.615 11.232 -9.875 1.00 0.00 O ATOM 0 H SER A 84 16.587 11.764 -12.050 1.00 0.00 H new ATOM 0 HA SER A 84 17.388 8.920 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 84 17.593 9.182 -9.691 1.00 0.00 H new ATOM 0 HB3 SER A 84 18.883 9.828 -10.686 1.00 0.00 H new ATOM 0 HG SER A 84 18.174 11.341 -9.077 1.00 0.00 H new ATOM 1257 N ILE A 85 15.263 8.068 -11.226 1.00 0.00 N ATOM 1258 CA ILE A 85 13.935 7.599 -10.841 1.00 0.00 C ATOM 1259 C ILE A 85 14.003 6.249 -10.117 1.00 0.00 C ATOM 1260 O ILE A 85 14.844 5.408 -10.435 1.00 0.00 O ATOM 1261 CB ILE A 85 13.002 7.506 -12.070 1.00 0.00 C ATOM 1262 CG1 ILE A 85 11.542 7.372 -11.621 1.00 0.00 C ATOM 1263 CG2 ILE A 85 13.408 6.357 -12.986 1.00 0.00 C ATOM 1264 CD1 ILE A 85 11.143 5.971 -11.211 1.00 0.00 C ATOM 0 H ILE A 85 15.927 7.327 -11.450 1.00 0.00 H new ATOM 0 HA ILE A 85 13.521 8.331 -10.148 1.00 0.00 H new ATOM 0 HB ILE A 85 13.099 8.427 -12.645 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.368 8.047 -10.783 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.893 7.699 -12.433 1.00 0.00 H new ATOM 0 HG21 ILE A 85 12.733 6.317 -13.841 1.00 0.00 H new ATOM 0 HG22 ILE A 85 14.428 6.514 -13.336 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.353 5.417 -12.437 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.096 5.965 -10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.281 5.292 -12.053 1.00 0.00 H new ATOM 0 HD13 ILE A 85 11.764 5.645 -10.377 1.00 0.00 H new ATOM 1276 N ASP A 86 13.113 6.055 -9.139 1.00 0.00 N ATOM 1277 CA ASP A 86 13.073 4.812 -8.358 1.00 0.00 C ATOM 1278 C ASP A 86 11.957 3.878 -8.841 1.00 0.00 C ATOM 1279 O ASP A 86 10.782 4.248 -8.839 1.00 0.00 O ATOM 1280 CB ASP A 86 12.877 5.132 -6.875 1.00 0.00 C ATOM 1281 CG ASP A 86 13.201 3.950 -5.983 1.00 0.00 C ATOM 1282 OD1 ASP A 86 12.314 3.093 -5.787 1.00 0.00 O ATOM 1283 OD2 ASP A 86 14.345 3.877 -5.483 1.00 0.00 O ATOM 0 H ASP A 86 12.410 6.742 -8.868 1.00 0.00 H new ATOM 0 HA ASP A 86 14.025 4.299 -8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.511 5.975 -6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.845 5.440 -6.705 1.00 0.00 H new ATOM 1288 N LEU A 87 12.338 2.672 -9.264 1.00 0.00 N ATOM 1289 CA LEU A 87 11.367 1.690 -9.770 1.00 0.00 C ATOM 1290 C LEU A 87 11.027 0.600 -8.750 1.00 0.00 C ATOM 1291 O LEU A 87 10.197 -0.265 -9.030 1.00 0.00 O ATOM 1292 CB LEU A 87 11.879 1.049 -11.058 1.00 0.00 C ATOM 1293 CG LEU A 87 12.462 2.030 -12.075 1.00 0.00 C ATOM 1294 CD1 LEU A 87 13.277 1.292 -13.124 1.00 0.00 C ATOM 1295 CD2 LEU A 87 11.346 2.832 -12.728 1.00 0.00 C ATOM 0 H LEU A 87 13.306 2.349 -9.268 1.00 0.00 H new ATOM 0 HA LEU A 87 10.448 2.241 -9.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.643 0.315 -10.803 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.059 0.505 -11.527 1.00 0.00 H new ATOM 0 HG LEU A 87 13.126 2.719 -11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 87 13.683 2.008 -13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 87 14.095 0.758 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.638 0.580 -13.647 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.773 3.528 -13.451 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.661 2.154 -13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.804 3.389 -11.964 1.00 0.00 H new ATOM 1307 N ASN A 88 11.672 0.616 -7.584 1.00 0.00 N ATOM 1308 CA ASN A 88 11.430 -0.404 -6.558 1.00 0.00 C ATOM 1309 C ASN A 88 9.935 -0.677 -6.362 1.00 0.00 C ATOM 1310 O ASN A 88 9.547 -1.772 -5.952 1.00 0.00 O ATOM 1311 CB ASN A 88 12.041 0.066 -5.233 1.00 0.00 C ATOM 1312 CG ASN A 88 11.850 -0.926 -4.100 1.00 0.00 C ATOM 1313 OD1 ASN A 88 12.022 -2.208 -4.397 1.00 0.00 O flip ATOM 1314 ND2 ASN A 88 11.553 -0.542 -2.968 1.00 0.00 N flip ATOM 0 H ASN A 88 12.363 1.320 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 88 11.895 -1.333 -6.888 1.00 0.00 H new ATOM 0 HB2 ASN A 88 13.107 0.244 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 88 11.593 1.019 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 88 11.430 0.454 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 88 11.430 -1.220 -2.216 1.00 0.00 H new ATOM 1321 N SER A 89 9.105 0.316 -6.652 1.00 0.00 N ATOM 1322 CA SER A 89 7.660 0.174 -6.498 1.00 0.00 C ATOM 1323 C SER A 89 7.007 -0.571 -7.669 1.00 0.00 C ATOM 1324 O SER A 89 6.108 -1.387 -7.462 1.00 0.00 O ATOM 1325 CB SER A 89 7.011 1.550 -6.341 1.00 0.00 C ATOM 1326 OG SER A 89 7.154 2.032 -5.018 1.00 0.00 O ATOM 0 H SER A 89 9.405 1.228 -6.995 1.00 0.00 H new ATOM 0 HA SER A 89 7.497 -0.424 -5.602 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.467 2.252 -7.039 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.953 1.488 -6.597 1.00 0.00 H new ATOM 0 HG SER A 89 6.733 2.914 -4.944 1.00 0.00 H new ATOM 1332 N VAL A 90 7.426 -0.262 -8.896 1.00 0.00 N ATOM 1333 CA VAL A 90 6.835 -0.889 -10.077 1.00 0.00 C ATOM 1334 C VAL A 90 7.229 -2.359 -10.238 1.00 0.00 C ATOM 1335 O VAL A 90 6.363 -3.220 -10.397 1.00 0.00 O ATOM 1336 CB VAL A 90 7.167 -0.110 -11.374 1.00 0.00 C ATOM 1337 CG1 VAL A 90 6.935 1.377 -11.173 1.00 0.00 C ATOM 1338 CG2 VAL A 90 8.596 -0.360 -11.835 1.00 0.00 C ATOM 0 H VAL A 90 8.165 0.412 -9.097 1.00 0.00 H new ATOM 0 HA VAL A 90 5.758 -0.854 -9.911 1.00 0.00 H new ATOM 0 HB VAL A 90 6.499 -0.475 -12.154 1.00 0.00 H new ATOM 0 HG11 VAL A 90 7.173 1.910 -12.094 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.891 1.550 -10.913 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.575 1.740 -10.368 1.00 0.00 H new ATOM 0 HG21 VAL A 90 8.788 0.205 -12.747 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.290 -0.041 -11.058 1.00 0.00 H new ATOM 0 HG23 VAL A 90 8.734 -1.423 -12.031 1.00 0.00 H new ATOM 1348 N ILE A 91 8.525 -2.646 -10.219 1.00 0.00 N ATOM 1349 CA ILE A 91 8.997 -4.014 -10.381 1.00 0.00 C ATOM 1350 C ILE A 91 8.894 -4.799 -9.068 1.00 0.00 C ATOM 1351 O ILE A 91 9.009 -4.233 -7.982 1.00 0.00 O ATOM 1352 CB ILE A 91 10.442 -4.046 -10.939 1.00 0.00 C ATOM 1353 CG1 ILE A 91 10.481 -3.395 -12.333 1.00 0.00 C ATOM 1354 CG2 ILE A 91 10.964 -5.475 -11.007 1.00 0.00 C ATOM 1355 CD1 ILE A 91 11.129 -2.022 -12.354 1.00 0.00 C ATOM 0 H ILE A 91 9.263 -1.954 -10.094 1.00 0.00 H new ATOM 0 HA ILE A 91 8.348 -4.501 -11.109 1.00 0.00 H new ATOM 0 HB ILE A 91 11.086 -3.481 -10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 91 11.022 -4.051 -13.015 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.463 -3.311 -12.712 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.980 -5.473 -11.402 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.964 -5.910 -10.008 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.322 -6.066 -11.660 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.118 -1.630 -13.371 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.576 -1.348 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 91 12.159 -2.100 -12.006 1.00 0.00 H new ATOM 1367 N GLU A 92 8.641 -6.104 -9.186 1.00 0.00 N ATOM 1368 CA GLU A 92 8.475 -6.983 -8.026 1.00 0.00 C ATOM 1369 C GLU A 92 9.161 -8.324 -8.270 1.00 0.00 C ATOM 1370 O GLU A 92 9.545 -8.624 -9.400 1.00 0.00 O ATOM 1371 CB GLU A 92 6.982 -7.222 -7.775 1.00 0.00 C ATOM 1372 CG GLU A 92 6.644 -7.556 -6.330 1.00 0.00 C ATOM 1373 CD GLU A 92 5.215 -7.199 -5.971 1.00 0.00 C ATOM 1374 OE1 GLU A 92 4.606 -6.385 -6.698 1.00 0.00 O ATOM 1375 OE2 GLU A 92 4.705 -7.735 -4.963 1.00 0.00 O ATOM 0 H GLU A 92 8.546 -6.580 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 92 8.928 -6.504 -7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.427 -6.332 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.642 -8.037 -8.415 1.00 0.00 H new ATOM 0 HG2 GLU A 92 6.803 -8.621 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 92 7.326 -7.022 -5.668 1.00 0.00 H new ATOM 1382 N ASN A 93 9.327 -9.133 -7.220 1.00 0.00 N ATOM 1383 CA ASN A 93 9.977 -10.433 -7.368 1.00 0.00 C ATOM 1384 C ASN A 93 8.949 -11.560 -7.297 1.00 0.00 C ATOM 1385 O ASN A 93 8.535 -11.973 -6.214 1.00 0.00 O ATOM 1386 CB ASN A 93 11.026 -10.623 -6.265 1.00 0.00 C ATOM 1387 CG ASN A 93 11.699 -11.983 -6.324 1.00 0.00 C ATOM 1388 OD1 ASN A 93 11.476 -12.760 -7.253 1.00 0.00 O ATOM 1389 ND2 ASN A 93 12.531 -12.277 -5.330 1.00 0.00 N ATOM 0 H ASN A 93 9.024 -8.913 -6.271 1.00 0.00 H new ATOM 0 HA ASN A 93 10.465 -10.464 -8.342 1.00 0.00 H new ATOM 0 HB2 ASN A 93 11.783 -9.844 -6.351 1.00 0.00 H new ATOM 0 HB3 ASN A 93 10.551 -10.499 -5.292 1.00 0.00 H new ATOM 0 HD21 ASN A 93 13.013 -13.176 -5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 93 12.687 -11.604 -4.580 1.00 0.00 H new ATOM 1396 N VAL A 94 8.556 -12.061 -8.461 1.00 0.00 N ATOM 1397 CA VAL A 94 7.591 -13.152 -8.543 1.00 0.00 C ATOM 1398 C VAL A 94 8.297 -14.482 -8.782 1.00 0.00 C ATOM 1399 O VAL A 94 8.594 -14.838 -9.922 1.00 0.00 O ATOM 1400 CB VAL A 94 6.556 -12.907 -9.658 1.00 0.00 C ATOM 1401 CG1 VAL A 94 5.489 -13.993 -9.650 1.00 0.00 C ATOM 1402 CG2 VAL A 94 5.923 -11.533 -9.496 1.00 0.00 C ATOM 0 H VAL A 94 8.892 -11.728 -9.365 1.00 0.00 H new ATOM 0 HA VAL A 94 7.066 -13.192 -7.588 1.00 0.00 H new ATOM 0 HB VAL A 94 7.068 -12.942 -10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.768 -13.801 -10.445 1.00 0.00 H new ATOM 0 HG12 VAL A 94 5.957 -14.964 -9.811 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.977 -13.993 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.194 -11.372 -10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.425 -11.474 -8.528 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.696 -10.767 -9.553 1.00 0.00 H new ATOM 1412 N ASP A 95 8.570 -15.213 -7.706 1.00 0.00 N ATOM 1413 CA ASP A 95 9.247 -16.503 -7.803 1.00 0.00 C ATOM 1414 C ASP A 95 10.578 -16.381 -8.542 1.00 0.00 C ATOM 1415 O ASP A 95 11.001 -17.309 -9.231 1.00 0.00 O ATOM 1416 CB ASP A 95 8.352 -17.529 -8.498 1.00 0.00 C ATOM 1417 CG ASP A 95 8.794 -18.953 -8.224 1.00 0.00 C ATOM 1418 OD1 ASP A 95 9.272 -19.220 -7.100 1.00 0.00 O ATOM 1419 OD2 ASP A 95 8.664 -19.798 -9.133 1.00 0.00 O ATOM 0 H ASP A 95 8.332 -14.934 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 95 9.454 -16.843 -6.788 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.323 -17.398 -8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 95 8.361 -17.348 -9.573 1.00 0.00 H new ATOM 1424 N GLY A 96 11.234 -15.234 -8.390 1.00 0.00 N ATOM 1425 CA GLY A 96 12.519 -15.015 -9.040 1.00 0.00 C ATOM 1426 C GLY A 96 12.396 -14.353 -10.400 1.00 0.00 C ATOM 1427 O GLY A 96 13.245 -14.549 -11.270 1.00 0.00 O ATOM 0 H GLY A 96 10.900 -14.451 -7.828 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.143 -14.395 -8.397 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.029 -15.972 -9.154 1.00 0.00 H new ATOM 1431 N SER A 97 11.339 -13.569 -10.587 1.00 0.00 N ATOM 1432 CA SER A 97 11.116 -12.884 -11.855 1.00 0.00 C ATOM 1433 C SER A 97 10.618 -11.456 -11.628 1.00 0.00 C ATOM 1434 O SER A 97 9.725 -11.223 -10.812 1.00 0.00 O ATOM 1435 CB SER A 97 10.107 -13.663 -12.701 1.00 0.00 C ATOM 1436 OG SER A 97 10.248 -13.354 -14.076 1.00 0.00 O ATOM 0 H SER A 97 10.626 -13.393 -9.879 1.00 0.00 H new ATOM 0 HA SER A 97 12.067 -12.832 -12.386 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.250 -14.733 -12.549 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.094 -13.427 -12.374 1.00 0.00 H new ATOM 0 HG SER A 97 9.593 -13.866 -14.595 1.00 0.00 H new ATOM 1442 N LEU A 98 11.205 -10.502 -12.352 1.00 0.00 N ATOM 1443 CA LEU A 98 10.822 -9.098 -12.220 1.00 0.00 C ATOM 1444 C LEU A 98 9.456 -8.843 -12.853 1.00 0.00 C ATOM 1445 O LEU A 98 9.267 -9.057 -14.049 1.00 0.00 O ATOM 1446 CB LEU A 98 11.873 -8.184 -12.866 1.00 0.00 C ATOM 1447 CG LEU A 98 13.290 -8.305 -12.299 1.00 0.00 C ATOM 1448 CD1 LEU A 98 14.219 -7.311 -12.978 1.00 0.00 C ATOM 1449 CD2 LEU A 98 13.285 -8.086 -10.794 1.00 0.00 C ATOM 0 H LEU A 98 11.944 -10.676 -13.033 1.00 0.00 H new ATOM 0 HA LEU A 98 10.762 -8.870 -11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.908 -8.399 -13.934 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.545 -7.150 -12.759 1.00 0.00 H new ATOM 0 HG LEU A 98 13.655 -9.313 -12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 98 15.222 -7.409 -12.564 1.00 0.00 H new ATOM 0 HD12 LEU A 98 14.247 -7.512 -14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.854 -6.298 -12.809 1.00 0.00 H new ATOM 0 HD21 LEU A 98 14.301 -8.176 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 98 12.900 -7.091 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 98 12.650 -8.834 -10.320 1.00 0.00 H new ATOM 1461 N LYS A 99 8.501 -8.402 -12.035 1.00 0.00 N ATOM 1462 CA LYS A 99 7.142 -8.136 -12.506 1.00 0.00 C ATOM 1463 C LYS A 99 6.680 -6.716 -12.196 1.00 0.00 C ATOM 1464 O LYS A 99 6.946 -6.180 -11.122 1.00 0.00 O ATOM 1465 CB LYS A 99 6.165 -9.130 -11.879 1.00 0.00 C ATOM 1466 CG LYS A 99 6.115 -10.471 -12.593 1.00 0.00 C ATOM 1467 CD LYS A 99 4.702 -10.798 -13.053 1.00 0.00 C ATOM 1468 CE LYS A 99 4.460 -12.298 -13.091 1.00 0.00 C ATOM 1469 NZ LYS A 99 5.231 -12.955 -14.180 1.00 0.00 N ATOM 0 H LYS A 99 8.644 -8.221 -11.041 1.00 0.00 H new ATOM 0 HA LYS A 99 7.157 -8.251 -13.590 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.444 -9.293 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.167 -8.692 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.785 -10.453 -13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.473 -11.255 -11.926 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.982 -10.330 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.534 -10.376 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.740 -12.736 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.396 -12.491 -13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.039 -13.977 -14.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.946 -12.555 -15.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.248 -12.792 -14.032 1.00 0.00 H new ATOM 1483 N TYR A 100 5.969 -6.124 -13.154 1.00 0.00 N ATOM 1484 CA TYR A 100 5.436 -4.776 -13.004 1.00 0.00 C ATOM 1485 C TYR A 100 4.098 -4.822 -12.273 1.00 0.00 C ATOM 1486 O TYR A 100 3.309 -5.747 -12.467 1.00 0.00 O ATOM 1487 CB TYR A 100 5.262 -4.117 -14.378 1.00 0.00 C ATOM 1488 CG TYR A 100 4.746 -2.696 -14.312 1.00 0.00 C ATOM 1489 CD1 TYR A 100 3.394 -2.436 -14.125 1.00 0.00 C ATOM 1490 CD2 TYR A 100 5.610 -1.615 -14.435 1.00 0.00 C ATOM 1491 CE1 TYR A 100 2.918 -1.140 -14.063 1.00 0.00 C ATOM 1492 CE2 TYR A 100 5.142 -0.316 -14.373 1.00 0.00 C ATOM 1493 CZ TYR A 100 3.795 -0.084 -14.187 1.00 0.00 C ATOM 1494 OH TYR A 100 3.325 1.207 -14.122 1.00 0.00 O ATOM 0 H TYR A 100 5.749 -6.563 -14.048 1.00 0.00 H new ATOM 0 HA TYR A 100 6.140 -4.184 -12.419 1.00 0.00 H new ATOM 0 HB2 TYR A 100 6.220 -4.122 -14.897 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.574 -4.716 -14.974 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.703 -3.261 -14.026 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.665 -1.793 -14.582 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.864 -0.956 -13.918 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.827 0.513 -14.470 1.00 0.00 H new ATOM 0 HH TYR A 100 4.072 1.833 -14.226 1.00 0.00 H new