USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 28 SER OG : rot -177:sc= 0.848 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0.0551 USER MOD Set 1.3: A 49 ASN : amide:sc= -0.3 K(o=-12,f=-13) USER MOD Set 1.4: A 52 MET CE :methyl -129:sc= -2.02 (180deg=-5.76!) USER MOD Set 1.5: A 62 GLN : amide:sc= -10.7! C(o=-12!,f=-14!) USER MOD Set 2.1: A 24 ASN : amide:sc= -2.37! C(o=-2.3!,f=-1.8!) USER MOD Set 2.2: A 26 SER OG : rot -116:sc= 0.0825 USER MOD Single : A 5 THR OG1 : rot -56:sc= 0.114 USER MOD Single : A 8 GLN : amide:sc= -3.41! C(o=-3.4!,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.21) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0612 USER MOD Single : A 34 THR OG1 : rot 44:sc= 0.025 USER MOD Single : A 44 SER OG : rot 32:sc= 0.614 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -5.83! C(o=-5.8!,f=-14!) USER MOD Single : A 61 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -111:sc= -1.89 (180deg=-5.03!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.904 -0.286 -18.819 1.00 0.00 N ATOM 40 CA LEU A 4 -15.000 -0.088 -17.649 1.00 0.00 C ATOM 41 C LEU A 4 -15.747 -0.410 -16.347 1.00 0.00 C ATOM 42 O LEU A 4 -16.206 -1.517 -16.150 1.00 0.00 O ATOM 43 CB LEU A 4 -14.599 1.387 -17.712 1.00 0.00 C ATOM 44 CG LEU A 4 -14.196 1.746 -19.142 1.00 0.00 C ATOM 45 CD1 LEU A 4 -13.976 3.257 -19.247 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.899 1.018 -19.504 1.00 0.00 C ATOM 0 HA LEU A 4 -14.128 -0.741 -17.673 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -15.429 2.015 -17.389 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.770 1.579 -17.030 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.988 1.445 -19.828 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.689 3.513 -20.267 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.898 3.778 -18.988 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.185 3.558 -18.561 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -12.611 1.273 -20.524 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.108 1.320 -18.817 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -13.053 -0.058 -19.429 1.00 0.00 H new ATOM 58 N THR A 5 -15.879 0.539 -15.458 1.00 0.00 N ATOM 59 CA THR A 5 -16.603 0.263 -14.181 1.00 0.00 C ATOM 60 C THR A 5 -16.022 -0.982 -13.506 1.00 0.00 C ATOM 61 O THR A 5 -14.838 -1.241 -13.576 1.00 0.00 O ATOM 62 CB THR A 5 -18.063 0.020 -14.584 1.00 0.00 C ATOM 63 OG1 THR A 5 -18.221 -1.332 -14.991 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.451 0.950 -15.738 1.00 0.00 C ATOM 0 H THR A 5 -15.519 1.488 -15.559 1.00 0.00 H new ATOM 0 HA THR A 5 -16.511 1.087 -13.473 1.00 0.00 H new ATOM 0 HB THR A 5 -18.709 0.225 -13.730 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.588 -1.533 -15.712 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.489 0.770 -16.017 1.00 0.00 H new ATOM 0 HG22 THR A 5 -18.334 1.987 -15.424 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.806 0.755 -16.595 1.00 0.00 H new ATOM 72 N GLU A 6 -16.849 -1.756 -12.857 1.00 0.00 N ATOM 73 CA GLU A 6 -16.347 -2.986 -12.179 1.00 0.00 C ATOM 74 C GLU A 6 -15.333 -3.705 -13.072 1.00 0.00 C ATOM 75 O GLU A 6 -14.419 -4.351 -12.599 1.00 0.00 O ATOM 76 CB GLU A 6 -17.590 -3.851 -11.968 1.00 0.00 C ATOM 77 CG GLU A 6 -18.003 -4.498 -13.293 1.00 0.00 C ATOM 78 CD GLU A 6 -19.193 -5.431 -13.057 1.00 0.00 C ATOM 79 OE1 GLU A 6 -19.351 -5.885 -11.935 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.924 -5.676 -14.002 1.00 0.00 O ATOM 0 H GLU A 6 -17.851 -1.590 -12.767 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.839 -2.766 -11.240 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.386 -4.622 -11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.407 -3.242 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.269 -3.729 -14.018 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.167 -5.057 -13.713 1.00 0.00 H new ATOM 87 N GLU A 7 -15.489 -3.591 -14.361 1.00 0.00 N ATOM 88 CA GLU A 7 -14.534 -4.258 -15.289 1.00 0.00 C ATOM 89 C GLU A 7 -13.183 -3.549 -15.227 1.00 0.00 C ATOM 90 O GLU A 7 -12.147 -4.173 -15.100 1.00 0.00 O ATOM 91 CB GLU A 7 -15.158 -4.109 -16.676 1.00 0.00 C ATOM 92 CG GLU A 7 -15.273 -5.485 -17.336 1.00 0.00 C ATOM 93 CD GLU A 7 -14.587 -5.457 -18.703 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.736 -4.606 -18.898 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.925 -6.288 -19.530 1.00 0.00 O ATOM 0 H GLU A 7 -16.237 -3.064 -14.812 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.363 -5.304 -15.036 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.143 -3.649 -16.596 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.547 -3.449 -17.292 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.813 -6.243 -16.702 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.322 -5.759 -17.450 1.00 0.00 H new ATOM 102 N GLN A 8 -13.185 -2.246 -15.300 1.00 0.00 N ATOM 103 CA GLN A 8 -11.897 -1.503 -15.230 1.00 0.00 C ATOM 104 C GLN A 8 -11.356 -1.574 -13.800 1.00 0.00 C ATOM 105 O GLN A 8 -10.190 -1.830 -13.576 1.00 0.00 O ATOM 106 CB GLN A 8 -12.232 -0.060 -15.644 1.00 0.00 C ATOM 107 CG GLN A 8 -12.641 0.773 -14.423 1.00 0.00 C ATOM 108 CD GLN A 8 -12.904 2.218 -14.854 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.814 2.853 -14.362 1.00 0.00 O ATOM 110 NE2 GLN A 8 -12.139 2.767 -15.758 1.00 0.00 N ATOM 0 H GLN A 8 -14.018 -1.667 -15.405 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.128 -1.917 -15.882 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.368 0.395 -16.128 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.041 -0.064 -16.375 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.535 0.351 -13.965 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.853 0.745 -13.670 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.374 2.233 -16.171 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.306 3.730 -16.051 1.00 0.00 H new ATOM 119 N ILE A 9 -12.205 -1.364 -12.831 1.00 0.00 N ATOM 120 CA ILE A 9 -11.756 -1.435 -11.416 1.00 0.00 C ATOM 121 C ILE A 9 -11.084 -2.782 -11.159 1.00 0.00 C ATOM 122 O ILE A 9 -9.914 -2.850 -10.849 1.00 0.00 O ATOM 123 CB ILE A 9 -13.033 -1.316 -10.589 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.685 0.043 -10.847 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.691 -1.447 -9.106 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.196 -0.071 -10.648 1.00 0.00 C ATOM 0 H ILE A 9 -13.193 -1.146 -12.961 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.036 -0.656 -11.167 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.726 -2.108 -10.873 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.273 0.790 -10.169 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.465 0.377 -11.861 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.602 -1.362 -8.514 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.229 -2.417 -8.924 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.998 -0.655 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.661 0.897 -10.832 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.600 -0.806 -11.344 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.406 -0.386 -9.626 1.00 0.00 H new ATOM 138 N ALA A 10 -11.815 -3.854 -11.294 1.00 0.00 N ATOM 139 CA ALA A 10 -11.207 -5.196 -11.063 1.00 0.00 C ATOM 140 C ALA A 10 -9.834 -5.259 -11.737 1.00 0.00 C ATOM 141 O ALA A 10 -8.852 -5.661 -11.141 1.00 0.00 O ATOM 142 CB ALA A 10 -12.171 -6.189 -11.711 1.00 0.00 C ATOM 0 H ALA A 10 -12.802 -3.860 -11.553 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.060 -5.413 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.791 -7.202 -11.582 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.150 -6.106 -11.239 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.261 -5.968 -12.775 1.00 0.00 H new ATOM 148 N GLU A 11 -9.758 -4.849 -12.974 1.00 0.00 N ATOM 149 CA GLU A 11 -8.449 -4.872 -13.684 1.00 0.00 C ATOM 150 C GLU A 11 -7.456 -3.967 -12.953 1.00 0.00 C ATOM 151 O GLU A 11 -6.305 -4.310 -12.767 1.00 0.00 O ATOM 152 CB GLU A 11 -8.744 -4.328 -15.083 1.00 0.00 C ATOM 153 CG GLU A 11 -8.158 -5.274 -16.134 1.00 0.00 C ATOM 154 CD GLU A 11 -8.182 -4.595 -17.503 1.00 0.00 C ATOM 155 OE1 GLU A 11 -9.266 -4.277 -17.966 1.00 0.00 O ATOM 156 OE2 GLU A 11 -7.118 -4.402 -18.067 1.00 0.00 O ATOM 0 H GLU A 11 -10.544 -4.500 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.011 -5.869 -13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.820 -4.230 -15.227 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.315 -3.332 -15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.136 -5.542 -15.867 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.732 -6.200 -16.166 1.00 0.00 H new ATOM 163 N PHE A 12 -7.900 -2.817 -12.528 1.00 0.00 N ATOM 164 CA PHE A 12 -6.992 -1.891 -11.798 1.00 0.00 C ATOM 165 C PHE A 12 -6.539 -2.541 -10.490 1.00 0.00 C ATOM 166 O PHE A 12 -5.363 -2.599 -10.189 1.00 0.00 O ATOM 167 CB PHE A 12 -7.835 -0.646 -11.523 1.00 0.00 C ATOM 168 CG PHE A 12 -8.027 0.123 -12.809 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.923 0.411 -13.620 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.306 0.547 -13.193 1.00 0.00 C ATOM 171 CE1 PHE A 12 -7.095 1.123 -14.813 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.478 1.259 -14.387 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.373 1.547 -15.196 1.00 0.00 C ATOM 0 H PHE A 12 -8.854 -2.479 -12.655 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.093 -1.649 -12.364 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.802 -0.932 -11.109 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.344 -0.017 -10.780 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.937 0.083 -13.325 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.159 0.325 -12.569 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.242 1.345 -15.437 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.464 1.586 -14.683 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.506 2.097 -16.116 1.00 0.00 H new ATOM 183 N LYS A 13 -7.467 -3.037 -9.715 1.00 0.00 N ATOM 184 CA LYS A 13 -7.098 -3.696 -8.430 1.00 0.00 C ATOM 185 C LYS A 13 -5.862 -4.569 -8.643 1.00 0.00 C ATOM 186 O LYS A 13 -4.865 -4.426 -7.964 1.00 0.00 O ATOM 187 CB LYS A 13 -8.307 -4.557 -8.061 1.00 0.00 C ATOM 188 CG LYS A 13 -9.507 -3.655 -7.767 1.00 0.00 C ATOM 189 CD LYS A 13 -10.756 -4.516 -7.571 1.00 0.00 C ATOM 190 CE LYS A 13 -10.886 -4.899 -6.095 1.00 0.00 C ATOM 191 NZ LYS A 13 -12.261 -5.459 -5.962 1.00 0.00 N ATOM 0 H LYS A 13 -8.466 -3.014 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.861 -2.980 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.543 -5.239 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.078 -5.170 -7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.318 -3.060 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.660 -2.955 -8.589 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.642 -3.970 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.692 -5.413 -8.186 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.132 -5.632 -5.810 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.749 -4.032 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.426 -5.745 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.958 -4.737 -6.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.360 -6.287 -6.584 1.00 0.00 H new ATOM 205 N GLU A 14 -5.914 -5.461 -9.594 1.00 0.00 N ATOM 206 CA GLU A 14 -4.730 -6.324 -9.857 1.00 0.00 C ATOM 207 C GLU A 14 -3.504 -5.438 -10.090 1.00 0.00 C ATOM 208 O GLU A 14 -2.440 -5.672 -9.548 1.00 0.00 O ATOM 209 CB GLU A 14 -5.078 -7.107 -11.123 1.00 0.00 C ATOM 210 CG GLU A 14 -4.242 -8.388 -11.178 1.00 0.00 C ATOM 211 CD GLU A 14 -4.889 -9.380 -12.147 1.00 0.00 C ATOM 212 OE1 GLU A 14 -4.888 -9.104 -13.335 1.00 0.00 O ATOM 213 OE2 GLU A 14 -5.376 -10.398 -11.683 1.00 0.00 O ATOM 0 H GLU A 14 -6.720 -5.628 -10.196 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.501 -6.992 -9.027 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.140 -7.353 -11.131 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.886 -6.496 -12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.226 -8.158 -11.501 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.169 -8.830 -10.184 1.00 0.00 H new ATOM 220 N ALA A 15 -3.653 -4.411 -10.882 1.00 0.00 N ATOM 221 CA ALA A 15 -2.505 -3.498 -11.141 1.00 0.00 C ATOM 222 C ALA A 15 -2.095 -2.805 -9.841 1.00 0.00 C ATOM 223 O ALA A 15 -0.935 -2.773 -9.485 1.00 0.00 O ATOM 224 CB ALA A 15 -3.025 -2.476 -12.153 1.00 0.00 C ATOM 0 H ALA A 15 -4.520 -4.165 -11.360 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.629 -4.026 -11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.233 -1.767 -12.394 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.340 -2.991 -13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.873 -1.941 -11.727 1.00 0.00 H new ATOM 230 N PHE A 16 -3.040 -2.254 -9.126 1.00 0.00 N ATOM 231 CA PHE A 16 -2.693 -1.574 -7.848 1.00 0.00 C ATOM 232 C PHE A 16 -1.743 -2.456 -7.040 1.00 0.00 C ATOM 233 O PHE A 16 -0.610 -2.098 -6.787 1.00 0.00 O ATOM 234 CB PHE A 16 -4.014 -1.398 -7.100 1.00 0.00 C ATOM 235 CG PHE A 16 -3.717 -0.959 -5.687 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.392 0.376 -5.424 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.756 -1.889 -4.641 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.106 0.783 -4.115 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.471 -1.482 -3.332 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.146 -0.147 -3.070 1.00 0.00 C ATOM 0 H PHE A 16 -4.030 -2.246 -9.371 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.198 -0.617 -8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.637 -0.658 -7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.573 -2.334 -7.095 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.362 1.093 -6.231 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.006 -2.920 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.855 1.814 -3.912 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.502 -2.199 -2.525 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.926 0.166 -2.060 1.00 0.00 H new ATOM 250 N ALA A 17 -2.196 -3.613 -6.637 1.00 0.00 N ATOM 251 CA ALA A 17 -1.314 -4.521 -5.853 1.00 0.00 C ATOM 252 C ALA A 17 0.075 -4.554 -6.490 1.00 0.00 C ATOM 253 O ALA A 17 1.081 -4.454 -5.816 1.00 0.00 O ATOM 254 CB ALA A 17 -1.979 -5.894 -5.935 1.00 0.00 C ATOM 0 H ALA A 17 -3.136 -3.967 -6.817 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.191 -4.199 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.385 -6.620 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.980 -5.840 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.047 -6.204 -6.978 1.00 0.00 H new ATOM 260 N LEU A 18 0.137 -4.682 -7.788 1.00 0.00 N ATOM 261 CA LEU A 18 1.462 -4.707 -8.467 1.00 0.00 C ATOM 262 C LEU A 18 2.277 -3.482 -8.044 1.00 0.00 C ATOM 263 O LEU A 18 3.463 -3.567 -7.796 1.00 0.00 O ATOM 264 CB LEU A 18 1.146 -4.653 -9.962 1.00 0.00 C ATOM 265 CG LEU A 18 2.343 -5.178 -10.757 1.00 0.00 C ATOM 266 CD1 LEU A 18 2.123 -6.653 -11.097 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.487 -4.373 -12.051 1.00 0.00 C ATOM 0 H LEU A 18 -0.670 -4.770 -8.405 1.00 0.00 H new ATOM 0 HA LEU A 18 2.047 -5.591 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.261 -5.251 -10.179 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.919 -3.629 -10.260 1.00 0.00 H new ATOM 0 HG LEU A 18 3.249 -5.074 -10.160 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.976 -7.027 -11.663 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.019 -7.227 -10.176 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.217 -6.758 -11.694 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.340 -4.746 -12.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.581 -4.477 -12.647 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.644 -3.322 -11.810 1.00 0.00 H new ATOM 279 N PHE A 19 1.642 -2.344 -7.947 1.00 0.00 N ATOM 280 CA PHE A 19 2.375 -1.116 -7.527 1.00 0.00 C ATOM 281 C PHE A 19 2.862 -1.277 -6.085 1.00 0.00 C ATOM 282 O PHE A 19 3.959 -0.885 -5.741 1.00 0.00 O ATOM 283 CB PHE A 19 1.349 0.016 -7.622 1.00 0.00 C ATOM 284 CG PHE A 19 1.120 0.379 -9.072 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.206 0.487 -9.947 1.00 0.00 C ATOM 286 CD2 PHE A 19 -0.181 0.613 -9.538 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.994 0.826 -11.289 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.392 0.953 -10.879 1.00 0.00 C ATOM 289 CZ PHE A 19 0.695 1.060 -11.754 1.00 0.00 C ATOM 0 H PHE A 19 0.649 -2.213 -8.140 1.00 0.00 H new ATOM 0 HA PHE A 19 3.250 -0.920 -8.147 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.410 -0.292 -7.162 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.703 0.887 -7.071 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.209 0.309 -9.587 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.020 0.531 -8.863 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.833 0.907 -11.965 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.394 1.133 -11.239 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.531 1.323 -12.789 1.00 0.00 H new ATOM 299 N ASP A 20 2.053 -1.859 -5.241 1.00 0.00 N ATOM 300 CA ASP A 20 2.466 -2.054 -3.822 1.00 0.00 C ATOM 301 C ASP A 20 3.385 -3.274 -3.710 1.00 0.00 C ATOM 302 O ASP A 20 3.570 -4.011 -4.656 1.00 0.00 O ATOM 303 CB ASP A 20 1.163 -2.292 -3.056 1.00 0.00 C ATOM 304 CG ASP A 20 1.482 -2.679 -1.611 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.732 -1.785 -0.820 1.00 0.00 O ATOM 306 OD2 ASP A 20 1.470 -3.863 -1.320 1.00 0.00 O ATOM 0 H ASP A 20 1.123 -2.208 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 20 3.016 -1.199 -3.428 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.548 -1.392 -3.075 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.586 -3.082 -3.536 1.00 0.00 H new ATOM 311 N LYS A 21 3.963 -3.494 -2.560 1.00 0.00 N ATOM 312 CA LYS A 21 4.867 -4.668 -2.397 1.00 0.00 C ATOM 313 C LYS A 21 4.528 -5.425 -1.111 1.00 0.00 C ATOM 314 O LYS A 21 5.334 -6.164 -0.582 1.00 0.00 O ATOM 315 CB LYS A 21 6.274 -4.077 -2.318 1.00 0.00 C ATOM 316 CG LYS A 21 6.821 -3.876 -3.732 1.00 0.00 C ATOM 317 CD LYS A 21 7.480 -5.170 -4.214 1.00 0.00 C ATOM 318 CE LYS A 21 8.702 -5.475 -3.344 1.00 0.00 C ATOM 319 NZ LYS A 21 8.599 -6.929 -3.034 1.00 0.00 N ATOM 0 H LYS A 21 3.849 -2.914 -1.729 1.00 0.00 H new ATOM 0 HA LYS A 21 4.770 -5.380 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 21 6.251 -3.126 -1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.928 -4.742 -1.754 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.015 -3.593 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.545 -3.062 -3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.769 -5.994 -4.162 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.779 -5.072 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.629 -5.248 -3.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.698 -4.876 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.403 -7.215 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.710 -7.114 -2.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.612 -7.474 -3.919 1.00 0.00 H new ATOM 333 N ASP A 22 3.337 -5.249 -0.606 1.00 0.00 N ATOM 334 CA ASP A 22 2.945 -5.961 0.645 1.00 0.00 C ATOM 335 C ASP A 22 1.423 -6.108 0.713 1.00 0.00 C ATOM 336 O ASP A 22 0.856 -6.318 1.767 1.00 0.00 O ATOM 337 CB ASP A 22 3.450 -5.071 1.781 1.00 0.00 C ATOM 338 CG ASP A 22 2.947 -3.642 1.572 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.899 -3.485 0.969 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.620 -2.727 2.019 1.00 0.00 O ATOM 0 H ASP A 22 2.619 -4.644 -1.005 1.00 0.00 H new ATOM 0 HA ASP A 22 3.364 -6.966 0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.101 -5.454 2.740 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.540 -5.084 1.810 1.00 0.00 H new ATOM 345 N ASN A 23 0.757 -5.998 -0.405 1.00 0.00 N ATOM 346 CA ASN A 23 -0.730 -6.128 -0.407 1.00 0.00 C ATOM 347 C ASN A 23 -1.323 -5.380 0.787 1.00 0.00 C ATOM 348 O ASN A 23 -2.360 -5.743 1.307 1.00 0.00 O ATOM 349 CB ASN A 23 -1.009 -7.626 -0.282 1.00 0.00 C ATOM 350 CG ASN A 23 -0.022 -8.415 -1.147 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.312 -8.736 -2.282 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.141 -8.741 -0.654 1.00 0.00 N ATOM 0 H ASN A 23 1.178 -5.824 -1.318 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.174 -5.707 -1.309 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.921 -7.935 0.759 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.031 -7.841 -0.593 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.807 -9.265 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.385 -8.471 0.299 1.00 0.00 H new ATOM 359 N ASN A 24 -0.674 -4.337 1.225 1.00 0.00 N ATOM 360 CA ASN A 24 -1.201 -3.564 2.385 1.00 0.00 C ATOM 361 C ASN A 24 -2.331 -2.637 1.933 1.00 0.00 C ATOM 362 O ASN A 24 -2.808 -1.811 2.686 1.00 0.00 O ATOM 363 CB ASN A 24 -0.008 -2.751 2.890 1.00 0.00 C ATOM 364 CG ASN A 24 -0.502 -1.643 3.821 1.00 0.00 C ATOM 365 OD1 ASN A 24 -0.033 -0.523 3.752 1.00 0.00 O ATOM 366 ND2 ASN A 24 -1.434 -1.908 4.693 1.00 0.00 N ATOM 0 H ASN A 24 0.199 -3.986 0.830 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.613 -4.209 3.161 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.690 -3.400 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.533 -2.319 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.771 -1.176 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.827 -2.848 4.750 1.00 0.00 H new ATOM 373 N GLY A 25 -2.763 -2.763 0.707 1.00 0.00 N ATOM 374 CA GLY A 25 -3.859 -1.884 0.212 1.00 0.00 C ATOM 375 C GLY A 25 -3.356 -0.443 0.152 1.00 0.00 C ATOM 376 O GLY A 25 -4.125 0.493 0.054 1.00 0.00 O ATOM 0 H GLY A 25 -2.405 -3.435 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.185 -2.210 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.724 -1.953 0.872 1.00 0.00 H new ATOM 380 N SER A 26 -2.066 -0.259 0.212 1.00 0.00 N ATOM 381 CA SER A 26 -1.504 1.119 0.161 1.00 0.00 C ATOM 382 C SER A 26 -0.139 1.102 -0.533 1.00 0.00 C ATOM 383 O SER A 26 0.676 0.232 -0.297 1.00 0.00 O ATOM 384 CB SER A 26 -1.365 1.541 1.624 1.00 0.00 C ATOM 385 OG SER A 26 -0.021 1.929 1.882 1.00 0.00 O ATOM 0 H SER A 26 -1.376 -1.005 0.294 1.00 0.00 H new ATOM 0 HA SER A 26 -2.135 1.808 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.041 2.368 1.840 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.649 0.718 2.279 1.00 0.00 H new ATOM 0 HG SER A 26 0.376 1.317 2.537 1.00 0.00 H new ATOM 391 N ILE A 27 0.117 2.054 -1.387 1.00 0.00 N ATOM 392 CA ILE A 27 1.431 2.084 -2.092 1.00 0.00 C ATOM 393 C ILE A 27 2.209 3.349 -1.723 1.00 0.00 C ATOM 394 O ILE A 27 1.691 4.446 -1.776 1.00 0.00 O ATOM 395 CB ILE A 27 1.085 2.090 -3.581 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.454 0.753 -3.965 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.359 2.304 -4.400 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.496 0.965 -5.144 1.00 0.00 C ATOM 0 H ILE A 27 -0.524 2.810 -1.627 1.00 0.00 H new ATOM 0 HA ILE A 27 2.058 1.235 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 27 0.380 2.896 -3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.229 0.035 -4.232 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.088 0.336 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.113 2.308 -5.462 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.810 3.258 -4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.063 1.498 -4.194 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.949 0.013 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.278 1.670 -4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.060 1.364 -5.992 1.00 0.00 H new ATOM 410 N SER A 28 3.451 3.203 -1.353 1.00 0.00 N ATOM 411 CA SER A 28 4.264 4.396 -0.985 1.00 0.00 C ATOM 412 C SER A 28 5.271 4.709 -2.095 1.00 0.00 C ATOM 413 O SER A 28 5.103 4.309 -3.230 1.00 0.00 O ATOM 414 CB SER A 28 4.990 4.001 0.302 1.00 0.00 C ATOM 415 OG SER A 28 5.669 5.134 0.825 1.00 0.00 O ATOM 0 H SER A 28 3.938 2.309 -1.290 1.00 0.00 H new ATOM 0 HA SER A 28 3.652 5.288 -0.849 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.277 3.621 1.033 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.699 3.198 0.101 1.00 0.00 H new ATOM 0 HG SER A 28 6.173 4.873 1.624 1.00 0.00 H new ATOM 421 N SER A 29 6.316 5.422 -1.777 1.00 0.00 N ATOM 422 CA SER A 29 7.332 5.761 -2.815 1.00 0.00 C ATOM 423 C SER A 29 8.006 4.488 -3.334 1.00 0.00 C ATOM 424 O SER A 29 7.836 4.104 -4.474 1.00 0.00 O ATOM 425 CB SER A 29 8.346 6.651 -2.099 1.00 0.00 C ATOM 426 OG SER A 29 7.659 7.530 -1.217 1.00 0.00 O ATOM 0 H SER A 29 6.511 5.785 -0.844 1.00 0.00 H new ATOM 0 HA SER A 29 6.890 6.259 -3.678 1.00 0.00 H new ATOM 0 HB2 SER A 29 9.055 6.039 -1.542 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.922 7.224 -2.826 1.00 0.00 H new ATOM 0 HG SER A 29 8.307 8.102 -0.754 1.00 0.00 H new ATOM 432 N SER A 30 8.774 3.833 -2.507 1.00 0.00 N ATOM 433 CA SER A 30 9.463 2.587 -2.954 1.00 0.00 C ATOM 434 C SER A 30 8.455 1.613 -3.574 1.00 0.00 C ATOM 435 O SER A 30 8.626 1.153 -4.684 1.00 0.00 O ATOM 436 CB SER A 30 10.069 1.993 -1.684 1.00 0.00 C ATOM 437 OG SER A 30 9.214 2.270 -0.581 1.00 0.00 O ATOM 0 H SER A 30 8.955 4.106 -1.541 1.00 0.00 H new ATOM 0 HA SER A 30 10.219 2.785 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.198 0.917 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.058 2.415 -1.507 1.00 0.00 H new ATOM 0 HG SER A 30 9.599 1.889 0.235 1.00 0.00 H new ATOM 443 N GLU A 31 7.409 1.293 -2.862 1.00 0.00 N ATOM 444 CA GLU A 31 6.394 0.346 -3.409 1.00 0.00 C ATOM 445 C GLU A 31 6.110 0.663 -4.881 1.00 0.00 C ATOM 446 O GLU A 31 6.492 -0.071 -5.769 1.00 0.00 O ATOM 447 CB GLU A 31 5.142 0.567 -2.560 1.00 0.00 C ATOM 448 CG GLU A 31 5.502 0.465 -1.077 1.00 0.00 C ATOM 449 CD GLU A 31 4.257 0.084 -0.273 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.396 0.934 -0.112 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.186 -1.051 0.169 1.00 0.00 O ATOM 0 H GLU A 31 7.213 1.646 -1.925 1.00 0.00 H new ATOM 0 HA GLU A 31 6.734 -0.689 -3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.714 1.546 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.384 -0.174 -2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.283 -0.281 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.900 1.416 -0.722 1.00 0.00 H new ATOM 458 N LEU A 32 5.440 1.752 -5.145 1.00 0.00 N ATOM 459 CA LEU A 32 5.131 2.113 -6.559 1.00 0.00 C ATOM 460 C LEU A 32 6.390 1.993 -7.423 1.00 0.00 C ATOM 461 O LEU A 32 6.383 1.366 -8.464 1.00 0.00 O ATOM 462 CB LEU A 32 4.654 3.565 -6.504 1.00 0.00 C ATOM 463 CG LEU A 32 3.803 3.878 -7.739 1.00 0.00 C ATOM 464 CD1 LEU A 32 4.502 3.353 -8.994 1.00 0.00 C ATOM 465 CD2 LEU A 32 2.436 3.203 -7.600 1.00 0.00 C ATOM 0 H LEU A 32 5.093 2.407 -4.444 1.00 0.00 H new ATOM 0 HA LEU A 32 4.381 1.455 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.072 3.732 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.511 4.238 -6.461 1.00 0.00 H new ATOM 0 HG LEU A 32 3.673 4.957 -7.822 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.894 3.578 -9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.476 3.832 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.636 2.274 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.830 3.425 -8.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.570 2.125 -7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.934 3.578 -6.708 1.00 0.00 H new ATOM 477 N ALA A 33 7.470 2.591 -7.000 1.00 0.00 N ATOM 478 CA ALA A 33 8.727 2.514 -7.799 1.00 0.00 C ATOM 479 C ALA A 33 9.179 1.057 -7.940 1.00 0.00 C ATOM 480 O ALA A 33 9.942 0.717 -8.821 1.00 0.00 O ATOM 481 CB ALA A 33 9.753 3.318 -7.001 1.00 0.00 C ATOM 0 H ALA A 33 7.537 3.129 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 33 8.598 2.904 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.709 3.310 -7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.407 4.346 -6.895 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.876 2.873 -6.014 1.00 0.00 H new ATOM 487 N THR A 34 8.714 0.194 -7.078 1.00 0.00 N ATOM 488 CA THR A 34 9.121 -1.237 -7.166 1.00 0.00 C ATOM 489 C THR A 34 8.342 -1.943 -8.280 1.00 0.00 C ATOM 490 O THR A 34 8.596 -3.088 -8.599 1.00 0.00 O ATOM 491 CB THR A 34 8.768 -1.835 -5.803 1.00 0.00 C ATOM 492 OG1 THR A 34 9.373 -1.060 -4.778 1.00 0.00 O ATOM 493 CG2 THR A 34 9.280 -3.274 -5.727 1.00 0.00 C ATOM 0 H THR A 34 8.071 0.418 -6.318 1.00 0.00 H new ATOM 0 HA THR A 34 10.180 -1.350 -7.399 1.00 0.00 H new ATOM 0 HB THR A 34 7.686 -1.830 -5.672 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.259 -0.107 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.028 -3.699 -4.755 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.815 -3.868 -6.514 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.362 -3.282 -5.857 1.00 0.00 H new ATOM 501 N VAL A 35 7.396 -1.270 -8.875 1.00 0.00 N ATOM 502 CA VAL A 35 6.603 -1.905 -9.966 1.00 0.00 C ATOM 503 C VAL A 35 7.380 -1.846 -11.286 1.00 0.00 C ATOM 504 O VAL A 35 7.032 -2.496 -12.251 1.00 0.00 O ATOM 505 CB VAL A 35 5.321 -1.078 -10.061 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.630 0.274 -10.706 1.00 0.00 C ATOM 507 CG2 VAL A 35 4.295 -1.826 -10.914 1.00 0.00 C ATOM 0 H VAL A 35 7.138 -0.308 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 35 6.394 -2.956 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 35 4.918 -0.919 -9.061 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.715 0.863 -10.773 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.361 0.808 -10.099 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.034 0.116 -11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.380 -1.237 -10.982 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.700 -1.985 -11.913 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.073 -2.789 -10.455 1.00 0.00 H new ATOM 639 N SER A 44 14.419 7.799 -8.940 1.00 0.00 N ATOM 640 CA SER A 44 14.827 8.296 -7.594 1.00 0.00 C ATOM 641 C SER A 44 13.619 8.891 -6.866 1.00 0.00 C ATOM 642 O SER A 44 12.607 9.182 -7.469 1.00 0.00 O ATOM 643 CB SER A 44 15.872 9.376 -7.870 1.00 0.00 C ATOM 644 OG SER A 44 16.781 8.906 -8.858 1.00 0.00 O ATOM 0 HA SER A 44 15.222 7.501 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 44 15.386 10.290 -8.211 1.00 0.00 H new ATOM 0 HB3 SER A 44 16.408 9.623 -6.954 1.00 0.00 H new ATOM 0 HG SER A 44 16.311 8.311 -9.478 1.00 0.00 H new ATOM 650 N GLU A 45 13.722 9.063 -5.571 1.00 0.00 N ATOM 651 CA GLU A 45 12.586 9.634 -4.783 1.00 0.00 C ATOM 652 C GLU A 45 11.827 10.683 -5.600 1.00 0.00 C ATOM 653 O GLU A 45 10.615 10.665 -5.676 1.00 0.00 O ATOM 654 CB GLU A 45 13.242 10.281 -3.562 1.00 0.00 C ATOM 655 CG GLU A 45 12.197 11.084 -2.786 1.00 0.00 C ATOM 656 CD GLU A 45 12.259 10.706 -1.305 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.869 9.595 -0.981 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.695 11.531 -0.519 1.00 0.00 O ATOM 0 H GLU A 45 14.550 8.831 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 45 11.858 8.871 -4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.677 9.514 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.057 10.933 -3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.380 12.152 -2.908 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.201 10.884 -3.182 1.00 0.00 H new ATOM 665 N ALA A 46 12.527 11.595 -6.217 1.00 0.00 N ATOM 666 CA ALA A 46 11.836 12.635 -7.030 1.00 0.00 C ATOM 667 C ALA A 46 10.759 11.983 -7.901 1.00 0.00 C ATOM 668 O ALA A 46 9.605 12.366 -7.871 1.00 0.00 O ATOM 669 CB ALA A 46 12.930 13.252 -7.901 1.00 0.00 C ATOM 0 H ALA A 46 13.544 11.665 -6.194 1.00 0.00 H new ATOM 0 HA ALA A 46 11.341 13.384 -6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.498 14.030 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.700 13.687 -7.264 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.373 12.480 -8.530 1.00 0.00 H new ATOM 675 N GLU A 47 11.125 10.996 -8.673 1.00 0.00 N ATOM 676 CA GLU A 47 10.122 10.314 -9.541 1.00 0.00 C ATOM 677 C GLU A 47 9.293 9.334 -8.707 1.00 0.00 C ATOM 678 O GLU A 47 8.105 9.179 -8.909 1.00 0.00 O ATOM 679 CB GLU A 47 10.947 9.566 -10.588 1.00 0.00 C ATOM 680 CG GLU A 47 11.905 10.542 -11.276 1.00 0.00 C ATOM 681 CD GLU A 47 11.381 10.871 -12.675 1.00 0.00 C ATOM 682 OE1 GLU A 47 10.182 11.046 -12.811 1.00 0.00 O ATOM 683 OE2 GLU A 47 12.189 10.942 -13.586 1.00 0.00 O ATOM 0 H GLU A 47 12.075 10.632 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 47 9.424 11.014 -10.001 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.509 8.760 -10.116 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.288 9.106 -11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.997 11.454 -10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.901 10.104 -11.343 1.00 0.00 H new ATOM 690 N VAL A 48 9.913 8.679 -7.765 1.00 0.00 N ATOM 691 CA VAL A 48 9.166 7.715 -6.906 1.00 0.00 C ATOM 692 C VAL A 48 8.085 8.461 -6.126 1.00 0.00 C ATOM 693 O VAL A 48 6.902 8.282 -6.345 1.00 0.00 O ATOM 694 CB VAL A 48 10.213 7.150 -5.945 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.623 5.970 -5.175 1.00 0.00 C ATOM 696 CG2 VAL A 48 11.433 6.678 -6.733 1.00 0.00 C ATOM 0 H VAL A 48 10.906 8.769 -7.552 1.00 0.00 H new ATOM 0 HA VAL A 48 8.676 6.931 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 48 10.511 7.930 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.372 5.570 -4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.755 6.304 -4.607 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.320 5.193 -5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 48 12.177 6.276 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.133 5.902 -7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.861 7.519 -7.279 1.00 0.00 H new ATOM 706 N ASN A 49 8.492 9.306 -5.223 1.00 0.00 N ATOM 707 CA ASN A 49 7.512 10.085 -4.424 1.00 0.00 C ATOM 708 C ASN A 49 6.554 10.825 -5.365 1.00 0.00 C ATOM 709 O ASN A 49 5.368 10.913 -5.116 1.00 0.00 O ATOM 710 CB ASN A 49 8.381 11.060 -3.623 1.00 0.00 C ATOM 711 CG ASN A 49 7.599 12.339 -3.307 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.966 12.438 -2.273 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.615 13.328 -4.157 1.00 0.00 N ATOM 0 H ASN A 49 9.471 9.491 -5.003 1.00 0.00 H new ATOM 0 HA ASN A 49 6.889 9.470 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.708 10.588 -2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.279 11.306 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.097 14.183 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.145 13.246 -5.024 1.00 0.00 H new ATOM 720 N ASP A 50 7.061 11.353 -6.446 1.00 0.00 N ATOM 721 CA ASP A 50 6.180 12.078 -7.402 1.00 0.00 C ATOM 722 C ASP A 50 4.988 11.198 -7.783 1.00 0.00 C ATOM 723 O ASP A 50 3.854 11.633 -7.775 1.00 0.00 O ATOM 724 CB ASP A 50 7.059 12.352 -8.623 1.00 0.00 C ATOM 725 CG ASP A 50 6.179 12.729 -9.816 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.785 13.881 -9.896 1.00 0.00 O ATOM 727 OD2 ASP A 50 5.913 11.858 -10.629 1.00 0.00 O ATOM 0 H ASP A 50 8.046 11.313 -6.707 1.00 0.00 H new ATOM 0 HA ASP A 50 5.776 12.998 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.759 13.159 -8.406 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.653 11.470 -8.861 1.00 0.00 H new ATOM 732 N LEU A 51 5.238 9.959 -8.111 1.00 0.00 N ATOM 733 CA LEU A 51 4.120 9.048 -8.486 1.00 0.00 C ATOM 734 C LEU A 51 3.156 8.890 -7.308 1.00 0.00 C ATOM 735 O LEU A 51 1.981 9.180 -7.410 1.00 0.00 O ATOM 736 CB LEU A 51 4.788 7.714 -8.817 1.00 0.00 C ATOM 737 CG LEU A 51 4.582 7.394 -10.299 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.771 6.580 -10.815 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.296 6.582 -10.470 1.00 0.00 C ATOM 0 H LEU A 51 6.167 9.539 -8.135 1.00 0.00 H new ATOM 0 HA LEU A 51 3.538 9.429 -9.326 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.853 7.762 -8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.365 6.921 -8.201 1.00 0.00 H new ATOM 0 HG LEU A 51 4.504 8.323 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.625 6.352 -11.871 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.688 7.157 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.848 5.651 -10.250 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.148 6.353 -11.525 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.374 5.653 -9.905 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.449 7.160 -10.102 1.00 0.00 H new ATOM 751 N MET A 52 3.646 8.437 -6.185 1.00 0.00 N ATOM 752 CA MET A 52 2.755 8.268 -5.001 1.00 0.00 C ATOM 753 C MET A 52 2.036 9.584 -4.697 1.00 0.00 C ATOM 754 O MET A 52 0.927 9.597 -4.201 1.00 0.00 O ATOM 755 CB MET A 52 3.690 7.886 -3.850 1.00 0.00 C ATOM 756 CG MET A 52 2.973 8.093 -2.513 1.00 0.00 C ATOM 757 SD MET A 52 3.203 9.803 -1.963 1.00 0.00 S ATOM 758 CE MET A 52 5.012 9.781 -1.905 1.00 0.00 C ATOM 0 H MET A 52 4.621 8.178 -6.037 1.00 0.00 H new ATOM 0 HA MET A 52 1.986 7.513 -5.164 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.000 6.846 -3.950 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.595 8.493 -3.887 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.911 7.874 -2.620 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.367 7.403 -1.766 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.350 10.152 -0.937 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.368 8.761 -2.047 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.409 10.417 -2.696 1.00 0.00 H new ATOM 768 N ASN A 53 2.659 10.693 -4.992 1.00 0.00 N ATOM 769 CA ASN A 53 2.015 12.010 -4.720 1.00 0.00 C ATOM 770 C ASN A 53 1.091 12.402 -5.877 1.00 0.00 C ATOM 771 O ASN A 53 0.043 12.982 -5.678 1.00 0.00 O ATOM 772 CB ASN A 53 3.174 13.000 -4.603 1.00 0.00 C ATOM 773 CG ASN A 53 2.701 14.259 -3.873 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.263 15.206 -4.494 1.00 0.00 O ATOM 775 ND2 ASN A 53 2.770 14.307 -2.571 1.00 0.00 N ATOM 0 H ASN A 53 3.588 10.744 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 53 1.401 11.989 -3.819 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.003 12.543 -4.062 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.545 13.260 -5.594 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.456 15.140 -2.074 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.138 13.511 -2.050 1.00 0.00 H new ATOM 782 N GLU A 54 1.472 12.091 -7.085 1.00 0.00 N ATOM 783 CA GLU A 54 0.616 12.448 -8.255 1.00 0.00 C ATOM 784 C GLU A 54 -0.767 11.805 -8.118 1.00 0.00 C ATOM 785 O GLU A 54 -1.698 12.162 -8.811 1.00 0.00 O ATOM 786 CB GLU A 54 1.350 11.884 -9.471 1.00 0.00 C ATOM 787 CG GLU A 54 1.640 13.014 -10.462 1.00 0.00 C ATOM 788 CD GLU A 54 3.086 13.484 -10.292 1.00 0.00 C ATOM 789 OE1 GLU A 54 3.442 13.856 -9.186 1.00 0.00 O ATOM 790 OE2 GLU A 54 3.813 13.463 -11.271 1.00 0.00 O ATOM 0 H GLU A 54 2.339 11.605 -7.314 1.00 0.00 H new ATOM 0 HA GLU A 54 0.459 13.524 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.281 11.411 -9.160 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.745 11.113 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.477 12.668 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.954 13.844 -10.294 1.00 0.00 H new ATOM 797 N ILE A 55 -0.908 10.856 -7.233 1.00 0.00 N ATOM 798 CA ILE A 55 -2.230 10.191 -7.059 1.00 0.00 C ATOM 799 C ILE A 55 -2.688 10.290 -5.600 1.00 0.00 C ATOM 800 O ILE A 55 -3.840 10.064 -5.285 1.00 0.00 O ATOM 801 CB ILE A 55 -1.990 8.733 -7.457 1.00 0.00 C ATOM 802 CG1 ILE A 55 -3.336 8.015 -7.623 1.00 0.00 C ATOM 803 CG2 ILE A 55 -1.157 8.035 -6.381 1.00 0.00 C ATOM 804 CD1 ILE A 55 -3.930 7.674 -6.251 1.00 0.00 C ATOM 0 H ILE A 55 -0.165 10.513 -6.624 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.011 10.654 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.449 8.702 -8.403 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.027 8.648 -8.179 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.200 7.103 -8.205 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.988 6.997 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.198 8.543 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.690 8.067 -5.431 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.885 7.165 -6.384 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.244 7.023 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.084 8.591 -5.683 1.00 0.00 H new ATOM 816 N ASP A 56 -1.798 10.625 -4.707 1.00 0.00 N ATOM 817 CA ASP A 56 -2.188 10.736 -3.271 1.00 0.00 C ATOM 818 C ASP A 56 -3.346 11.724 -3.111 1.00 0.00 C ATOM 819 O ASP A 56 -3.147 12.918 -3.012 1.00 0.00 O ATOM 820 CB ASP A 56 -0.941 11.260 -2.557 1.00 0.00 C ATOM 821 CG ASP A 56 -0.735 10.484 -1.256 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.708 9.959 -0.742 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.394 10.428 -0.795 1.00 0.00 O ATOM 0 H ASP A 56 -0.819 10.827 -4.908 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.522 9.782 -2.863 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.068 11.151 -3.200 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.050 12.324 -2.345 1.00 0.00 H new ATOM 828 N VAL A 57 -4.555 11.235 -3.081 1.00 0.00 N ATOM 829 CA VAL A 57 -5.723 12.149 -2.923 1.00 0.00 C ATOM 830 C VAL A 57 -5.651 12.863 -1.571 1.00 0.00 C ATOM 831 O VAL A 57 -6.070 13.995 -1.433 1.00 0.00 O ATOM 832 CB VAL A 57 -6.952 11.243 -2.989 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.078 10.654 -4.395 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.807 10.106 -1.974 1.00 0.00 C ATOM 0 H VAL A 57 -4.785 10.244 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.750 12.922 -3.691 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.843 11.827 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.955 10.008 -4.442 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.183 11.461 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.186 10.072 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.684 9.461 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.915 9.524 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.718 10.523 -0.971 1.00 0.00 H new ATOM 844 N ASP A 58 -5.122 12.209 -0.574 1.00 0.00 N ATOM 845 CA ASP A 58 -5.021 12.848 0.769 1.00 0.00 C ATOM 846 C ASP A 58 -3.604 13.384 0.992 1.00 0.00 C ATOM 847 O ASP A 58 -3.399 14.352 1.697 1.00 0.00 O ATOM 848 CB ASP A 58 -5.335 11.731 1.765 1.00 0.00 C ATOM 849 CG ASP A 58 -4.351 10.577 1.566 1.00 0.00 C ATOM 850 OD1 ASP A 58 -4.076 10.250 0.423 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.890 10.040 2.559 1.00 0.00 O ATOM 0 H ASP A 58 -4.755 11.259 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.702 13.692 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.267 12.109 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.357 11.380 1.623 1.00 0.00 H new ATOM 856 N GLY A 59 -2.623 12.761 0.396 1.00 0.00 N ATOM 857 CA GLY A 59 -1.221 13.235 0.573 1.00 0.00 C ATOM 858 C GLY A 59 -0.645 12.660 1.868 1.00 0.00 C ATOM 859 O GLY A 59 -0.367 13.379 2.807 1.00 0.00 O ATOM 0 H GLY A 59 -2.732 11.945 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.612 12.926 -0.277 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.196 14.324 0.604 1.00 0.00 H new ATOM 863 N ASN A 60 -0.464 11.369 1.927 1.00 0.00 N ATOM 864 CA ASN A 60 0.095 10.751 3.164 1.00 0.00 C ATOM 865 C ASN A 60 1.343 9.929 2.830 1.00 0.00 C ATOM 866 O ASN A 60 1.595 8.898 3.422 1.00 0.00 O ATOM 867 CB ASN A 60 -1.018 9.846 3.690 1.00 0.00 C ATOM 868 CG ASN A 60 -1.431 8.855 2.600 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.362 9.163 1.426 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.859 7.671 2.939 1.00 0.00 N ATOM 0 H ASN A 60 -0.678 10.716 1.174 1.00 0.00 H new ATOM 0 HA ASN A 60 0.396 11.498 3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.676 9.308 4.574 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.876 10.446 3.994 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.136 7.003 2.219 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.917 7.412 3.924 1.00 0.00 H new ATOM 877 N HIS A 61 2.123 10.374 1.883 1.00 0.00 N ATOM 878 CA HIS A 61 3.355 9.618 1.509 1.00 0.00 C ATOM 879 C HIS A 61 2.981 8.235 0.966 1.00 0.00 C ATOM 880 O HIS A 61 3.825 7.381 0.781 1.00 0.00 O ATOM 881 CB HIS A 61 4.154 9.490 2.806 1.00 0.00 C ATOM 882 CG HIS A 61 4.190 10.821 3.507 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.816 11.997 2.877 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.551 11.177 4.783 1.00 0.00 C ATOM 885 CE1 HIS A 61 3.960 12.996 3.765 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.404 12.552 4.944 1.00 0.00 N ATOM 0 H HIS A 61 1.961 11.229 1.351 1.00 0.00 H new ATOM 0 HA HIS A 61 3.927 10.121 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.700 8.739 3.452 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.168 9.154 2.589 1.00 0.00 H new ATOM 0 HD2 HIS A 61 4.896 10.494 5.545 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.743 14.032 3.551 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.594 13.102 5.782 1.00 0.00 H new ATOM 894 N GLN A 62 1.721 8.013 0.706 1.00 0.00 N ATOM 895 CA GLN A 62 1.282 6.693 0.170 1.00 0.00 C ATOM 896 C GLN A 62 -0.080 6.841 -0.508 1.00 0.00 C ATOM 897 O GLN A 62 -0.724 7.867 -0.410 1.00 0.00 O ATOM 898 CB GLN A 62 1.165 5.776 1.389 1.00 0.00 C ATOM 899 CG GLN A 62 2.559 5.337 1.845 1.00 0.00 C ATOM 900 CD GLN A 62 3.047 6.259 2.964 1.00 0.00 C ATOM 901 OE1 GLN A 62 2.269 6.694 3.790 1.00 0.00 O ATOM 902 NE2 GLN A 62 4.310 6.577 3.025 1.00 0.00 N ATOM 0 H GLN A 62 0.973 8.693 0.843 1.00 0.00 H new ATOM 0 HA GLN A 62 1.979 6.296 -0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.655 6.297 2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.562 4.903 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.530 4.306 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.254 5.368 1.006 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.962 6.211 2.331 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.646 7.191 3.767 1.00 0.00 H new ATOM 911 N ILE A 63 -0.526 5.829 -1.195 1.00 0.00 N ATOM 912 CA ILE A 63 -1.844 5.918 -1.876 1.00 0.00 C ATOM 913 C ILE A 63 -2.638 4.625 -1.667 1.00 0.00 C ATOM 914 O ILE A 63 -2.077 3.573 -1.435 1.00 0.00 O ATOM 915 CB ILE A 63 -1.514 6.111 -3.361 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.160 4.763 -3.992 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.332 7.072 -3.515 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.379 4.222 -4.743 1.00 0.00 C ATOM 0 H ILE A 63 -0.034 4.943 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.454 6.732 -1.485 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.385 6.530 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.319 4.878 -4.675 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.850 4.057 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.105 7.203 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.588 8.037 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.539 6.662 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.131 3.261 -5.194 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.208 4.093 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.667 4.926 -5.524 1.00 0.00 H new ATOM 930 N GLU A 64 -3.934 4.693 -1.768 1.00 0.00 N ATOM 931 CA GLU A 64 -4.758 3.466 -1.596 1.00 0.00 C ATOM 932 C GLU A 64 -5.352 3.065 -2.948 1.00 0.00 C ATOM 933 O GLU A 64 -5.438 3.870 -3.854 1.00 0.00 O ATOM 934 CB GLU A 64 -5.863 3.853 -0.613 1.00 0.00 C ATOM 935 CG GLU A 64 -5.264 4.666 0.538 1.00 0.00 C ATOM 936 CD GLU A 64 -5.821 4.154 1.867 1.00 0.00 C ATOM 937 OE1 GLU A 64 -6.832 3.473 1.842 1.00 0.00 O ATOM 938 OE2 GLU A 64 -5.226 4.454 2.890 1.00 0.00 O ATOM 0 H GLU A 64 -4.459 5.546 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.180 2.619 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.630 4.436 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.349 2.958 -0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.177 4.582 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.503 5.722 0.414 1.00 0.00 H new ATOM 945 N PHE A 65 -5.753 1.833 -3.101 1.00 0.00 N ATOM 946 CA PHE A 65 -6.328 1.405 -4.407 1.00 0.00 C ATOM 947 C PHE A 65 -7.291 2.470 -4.937 1.00 0.00 C ATOM 948 O PHE A 65 -7.003 3.151 -5.900 1.00 0.00 O ATOM 949 CB PHE A 65 -7.079 0.108 -4.122 1.00 0.00 C ATOM 950 CG PHE A 65 -7.903 -0.240 -5.333 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.267 -0.586 -6.530 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.300 -0.201 -5.267 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.027 -0.891 -7.662 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.060 -0.510 -6.399 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.424 -0.854 -7.596 1.00 0.00 C ATOM 0 H PHE A 65 -5.708 1.109 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.554 1.265 -5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.377 -0.695 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.720 0.225 -3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.189 -0.617 -6.579 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.791 0.067 -4.343 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.536 -1.155 -8.587 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.139 -0.483 -6.349 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.012 -1.091 -8.470 1.00 0.00 H new ATOM 965 N SER A 66 -8.434 2.605 -4.316 1.00 0.00 N ATOM 966 CA SER A 66 -9.436 3.620 -4.771 1.00 0.00 C ATOM 967 C SER A 66 -8.737 4.878 -5.298 1.00 0.00 C ATOM 968 O SER A 66 -9.192 5.500 -6.237 1.00 0.00 O ATOM 969 CB SER A 66 -10.256 3.947 -3.524 1.00 0.00 C ATOM 970 OG SER A 66 -11.104 5.054 -3.798 1.00 0.00 O ATOM 0 H SER A 66 -8.720 2.053 -3.507 1.00 0.00 H new ATOM 0 HA SER A 66 -10.054 3.245 -5.587 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.851 3.083 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.594 4.179 -2.690 1.00 0.00 H new ATOM 0 HG SER A 66 -11.633 5.266 -3.001 1.00 0.00 H new ATOM 976 N GLU A 67 -7.630 5.252 -4.715 1.00 0.00 N ATOM 977 CA GLU A 67 -6.910 6.461 -5.205 1.00 0.00 C ATOM 978 C GLU A 67 -6.289 6.155 -6.569 1.00 0.00 C ATOM 979 O GLU A 67 -6.381 6.933 -7.498 1.00 0.00 O ATOM 980 CB GLU A 67 -5.827 6.736 -4.161 1.00 0.00 C ATOM 981 CG GLU A 67 -6.465 6.815 -2.773 1.00 0.00 C ATOM 982 CD GLU A 67 -5.532 7.569 -1.823 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.490 8.011 -2.277 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.877 7.692 -0.660 1.00 0.00 O ATOM 0 H GLU A 67 -7.195 4.775 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.565 7.324 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.076 5.946 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.314 7.670 -4.391 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.428 7.322 -2.832 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.656 5.812 -2.392 1.00 0.00 H new ATOM 991 N PHE A 68 -5.674 5.011 -6.695 1.00 0.00 N ATOM 992 CA PHE A 68 -5.064 4.629 -7.998 1.00 0.00 C ATOM 993 C PHE A 68 -6.133 4.701 -9.093 1.00 0.00 C ATOM 994 O PHE A 68 -5.851 5.015 -10.232 1.00 0.00 O ATOM 995 CB PHE A 68 -4.577 3.190 -7.784 1.00 0.00 C ATOM 996 CG PHE A 68 -4.504 2.455 -9.103 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.822 3.019 -10.185 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.119 1.204 -9.237 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.754 2.331 -11.404 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -5.050 0.517 -10.453 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.367 1.081 -11.537 1.00 0.00 C ATOM 0 H PHE A 68 -5.568 4.323 -5.949 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.249 5.283 -8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.595 3.199 -7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.253 2.668 -7.107 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.348 3.984 -10.082 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.647 0.770 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.228 2.766 -12.241 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.523 -0.448 -10.556 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.313 0.551 -12.476 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.360 4.422 -8.748 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.456 4.483 -9.756 1.00 0.00 C ATOM 1013 C LEU A 69 -8.771 5.944 -10.086 1.00 0.00 C ATOM 1014 O LEU A 69 -9.045 6.292 -11.218 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.656 3.819 -9.079 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.635 2.315 -9.359 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.960 2.067 -10.832 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.248 1.756 -9.041 1.00 0.00 C ATOM 0 H LEU A 69 -7.652 4.154 -7.808 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.192 3.987 -10.690 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.626 4.000 -8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.583 4.255 -9.450 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.378 1.819 -8.734 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.945 0.996 -11.032 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.949 2.465 -11.058 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.218 2.563 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.233 0.685 -9.240 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.504 2.252 -9.665 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.017 1.933 -7.991 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.732 6.800 -9.102 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.027 8.239 -9.349 1.00 0.00 C ATOM 1032 C ALA A 70 -8.092 8.793 -10.427 1.00 0.00 C ATOM 1033 O ALA A 70 -8.523 9.409 -11.380 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.770 8.928 -8.008 1.00 0.00 C ATOM 0 H ALA A 70 -8.508 6.564 -8.135 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.046 8.399 -9.702 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.965 9.996 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.429 8.506 -7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.732 8.774 -7.713 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.812 8.578 -10.282 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.851 9.093 -11.300 1.00 0.00 C ATOM 1042 C LEU A 71 -5.801 8.151 -12.506 1.00 0.00 C ATOM 1043 O LEU A 71 -5.845 8.579 -13.642 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.499 9.127 -10.588 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.482 9.867 -11.458 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.217 10.143 -10.642 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -3.126 9.005 -12.672 1.00 0.00 C ATOM 0 H LEU A 71 -6.391 8.069 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.137 10.075 -11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.597 9.623 -9.623 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.154 8.112 -10.391 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.911 10.811 -11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.492 10.670 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.469 10.756 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.788 9.199 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.401 9.532 -13.292 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.697 8.061 -12.335 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.026 8.807 -13.254 1.00 0.00 H new ATOM 1059 N MET A 72 -5.708 6.871 -12.268 1.00 0.00 N ATOM 1060 CA MET A 72 -5.654 5.904 -13.402 1.00 0.00 C ATOM 1061 C MET A 72 -6.814 6.157 -14.370 1.00 0.00 C ATOM 1062 O MET A 72 -6.697 6.924 -15.305 1.00 0.00 O ATOM 1063 CB MET A 72 -5.785 4.525 -12.754 1.00 0.00 C ATOM 1064 CG MET A 72 -5.872 3.456 -13.843 1.00 0.00 C ATOM 1065 SD MET A 72 -4.505 3.669 -15.009 1.00 0.00 S ATOM 1066 CE MET A 72 -3.809 2.006 -14.850 1.00 0.00 C ATOM 0 H MET A 72 -5.667 6.453 -11.338 1.00 0.00 H new ATOM 0 HA MET A 72 -4.734 5.996 -13.980 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.929 4.332 -12.108 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.674 4.491 -12.124 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.831 2.463 -13.396 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.825 3.531 -14.366 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.844 2.062 -14.346 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.487 1.382 -14.267 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.676 1.571 -15.841 1.00 0.00 H new