USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 75 HIS : no HE2:sc= -5.84! C(o=-7.8!,f=-10!) USER MOD Set 1.2: A 76 GLN : amide:sc= -2 K(o=-7.8,f=-9.3) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -125:sc= 0.0612 (180deg=-0.57) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.344 K(o=0.41,f=-1.7) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.9!) USER MOD Single : A 14 GLN : amide:sc= -12.2! C(o=-12!,f=-18!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00526 X(o=-0.0053,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -4.53! USER MOD Single : A 25 ASN : amide:sc= -0.214 K(o=-0.21,f=-2.4!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -160:sc= -0.802 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -98:sc= -0.0958 USER MOD Single : A 64 THR OG1 : rot 180:sc= -1.28 USER MOD Single : A 66 GLN : amide:sc= -0.537 K(o=-0.54,f=-1.5) USER MOD Single : A 71 TYR OH : rot 48:sc= 0.0196 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.186 -8.373 -10.319 1.00 0.00 N ATOM 27 CA ILE A 3 -2.200 -7.671 -9.515 1.00 0.00 C ATOM 28 C ILE A 3 -2.643 -6.219 -9.325 1.00 0.00 C ATOM 29 O ILE A 3 -3.196 -5.866 -8.285 1.00 0.00 O ATOM 30 CB ILE A 3 -0.807 -7.814 -10.132 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.103 -9.069 -9.612 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.027 -6.552 -9.900 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.487 -8.830 -8.221 1.00 0.00 C ATOM 0 HA ILE A 3 -2.131 -8.115 -8.522 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.921 -7.932 -11.210 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.810 -9.897 -9.573 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.689 -9.358 -10.302 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.012 -6.680 -10.348 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.472 -5.697 -10.357 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.135 -6.379 -8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.982 -9.738 -7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.212 -8.017 -8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.311 -8.565 -7.528 1.00 0.00 H new ATOM 45 N GLU A 4 -2.382 -5.416 -10.347 1.00 0.00 N ATOM 46 CA GLU A 4 -2.747 -4.010 -10.305 1.00 0.00 C ATOM 47 C GLU A 4 -4.142 -3.841 -9.700 1.00 0.00 C ATOM 48 O GLU A 4 -4.329 -3.057 -8.771 1.00 0.00 O ATOM 49 CB GLU A 4 -2.674 -3.384 -11.699 1.00 0.00 C ATOM 50 CG GLU A 4 -3.498 -2.096 -11.765 1.00 0.00 C ATOM 51 CD GLU A 4 -3.445 -1.483 -13.166 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.317 -1.766 -14.001 1.00 0.00 O ATOM 53 OE2 GLU A 4 -2.454 -0.684 -13.374 1.00 0.00 O ATOM 0 H GLU A 4 -1.923 -5.712 -11.208 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.032 -3.488 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.636 -3.169 -11.951 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.042 -4.094 -12.440 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.533 -2.308 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.119 -1.380 -11.036 1.00 0.00 H new ATOM 61 N GLU A 5 -5.086 -4.590 -10.252 1.00 0.00 N ATOM 62 CA GLU A 5 -6.458 -4.533 -9.779 1.00 0.00 C ATOM 63 C GLU A 5 -6.492 -4.511 -8.249 1.00 0.00 C ATOM 64 O GLU A 5 -6.816 -3.488 -7.647 1.00 0.00 O ATOM 65 CB GLU A 5 -7.277 -5.703 -10.328 1.00 0.00 C ATOM 66 CG GLU A 5 -8.544 -5.923 -9.499 1.00 0.00 C ATOM 67 CD GLU A 5 -9.736 -6.259 -10.398 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.718 -5.940 -11.596 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.705 -6.875 -9.811 1.00 0.00 O ATOM 0 H GLU A 5 -4.927 -5.239 -11.022 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.910 -3.612 -10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.547 -5.507 -11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.672 -6.610 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.381 -6.732 -8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.763 -5.027 -8.918 1.00 0.00 H new ATOM 77 N ARG A 6 -6.153 -5.651 -7.665 1.00 0.00 N ATOM 78 CA ARG A 6 -6.140 -5.775 -6.218 1.00 0.00 C ATOM 79 C ARG A 6 -5.341 -4.629 -5.593 1.00 0.00 C ATOM 80 O ARG A 6 -5.874 -3.858 -4.797 1.00 0.00 O ATOM 81 CB ARG A 6 -5.528 -7.109 -5.785 1.00 0.00 C ATOM 82 CG ARG A 6 -6.476 -8.271 -6.087 1.00 0.00 C ATOM 83 CD ARG A 6 -6.340 -9.377 -5.039 1.00 0.00 C ATOM 84 NE ARG A 6 -7.403 -9.240 -4.018 1.00 0.00 N ATOM 85 CZ ARG A 6 -7.636 -10.142 -3.042 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.879 -11.257 -2.944 1.00 0.00 N ATOM 87 NH2 ARG A 6 -8.613 -9.919 -2.183 1.00 0.00 N ATOM 0 H ARG A 6 -5.885 -6.497 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.173 -5.732 -5.873 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.581 -7.264 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.308 -7.083 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.504 -7.910 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.259 -8.674 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.408 -10.354 -5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.360 -9.322 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.997 -8.411 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.125 -11.422 -3.611 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.062 -11.934 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.179 -9.074 -2.263 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.802 -10.591 -1.440 1.00 0.00 H new ATOM 100 N VAL A 7 -4.076 -4.553 -5.979 1.00 0.00 N ATOM 101 CA VAL A 7 -3.199 -3.514 -5.467 1.00 0.00 C ATOM 102 C VAL A 7 -3.971 -2.196 -5.383 1.00 0.00 C ATOM 103 O VAL A 7 -4.137 -1.638 -4.299 1.00 0.00 O ATOM 104 CB VAL A 7 -1.942 -3.416 -6.335 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.948 -2.412 -5.748 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.293 -4.789 -6.517 1.00 0.00 C ATOM 0 H VAL A 7 -3.637 -5.194 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.864 -3.759 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.241 -3.055 -7.319 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.064 -2.361 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.414 -1.428 -5.695 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.657 -2.731 -4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.402 -4.691 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.014 -5.192 -5.543 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.999 -5.464 -7.000 1.00 0.00 H new ATOM 116 N LYS A 8 -4.424 -1.737 -6.540 1.00 0.00 N ATOM 117 CA LYS A 8 -5.175 -0.495 -6.610 1.00 0.00 C ATOM 118 C LYS A 8 -6.249 -0.491 -5.520 1.00 0.00 C ATOM 119 O LYS A 8 -6.295 0.417 -4.692 1.00 0.00 O ATOM 120 CB LYS A 8 -5.730 -0.283 -8.020 1.00 0.00 C ATOM 121 CG LYS A 8 -5.254 1.049 -8.602 1.00 0.00 C ATOM 122 CD LYS A 8 -4.148 0.832 -9.637 1.00 0.00 C ATOM 123 CE LYS A 8 -4.032 2.035 -10.575 1.00 0.00 C ATOM 124 NZ LYS A 8 -4.962 1.893 -11.717 1.00 0.00 N ATOM 0 H LYS A 8 -4.286 -2.203 -7.437 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.522 0.356 -6.418 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.412 -1.101 -8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.819 -0.303 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.093 1.568 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.886 1.689 -7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.197 0.669 -9.130 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.359 -0.067 -10.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.254 2.952 -10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.009 2.122 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.432 1.971 -12.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.428 0.964 -11.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.681 2.643 -11.675 1.00 0.00 H new ATOM 137 N LYS A 9 -7.086 -1.518 -5.555 1.00 0.00 N ATOM 138 CA LYS A 9 -8.156 -1.644 -4.581 1.00 0.00 C ATOM 139 C LYS A 9 -7.609 -1.334 -3.186 1.00 0.00 C ATOM 140 O LYS A 9 -8.029 -0.369 -2.551 1.00 0.00 O ATOM 141 CB LYS A 9 -8.821 -3.018 -4.689 1.00 0.00 C ATOM 142 CG LYS A 9 -10.344 -2.897 -4.627 1.00 0.00 C ATOM 143 CD LYS A 9 -10.940 -2.743 -6.027 1.00 0.00 C ATOM 144 CE LYS A 9 -12.462 -2.599 -5.963 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.052 -2.727 -7.315 1.00 0.00 N ATOM 0 H LYS A 9 -7.044 -2.270 -6.243 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.943 -0.918 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.528 -3.495 -5.624 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.471 -3.660 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.763 -3.780 -4.145 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.619 -2.039 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.509 -1.869 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.678 -3.609 -6.635 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.878 -3.362 -5.305 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.724 -1.631 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.085 -2.627 -7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.668 -1.984 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.817 -3.660 -7.709 1.00 0.00 H new ATOM 158 N ILE A 10 -6.680 -2.172 -2.750 1.00 0.00 N ATOM 159 CA ILE A 10 -6.071 -2.000 -1.442 1.00 0.00 C ATOM 160 C ILE A 10 -5.712 -0.526 -1.241 1.00 0.00 C ATOM 161 O ILE A 10 -6.232 0.125 -0.336 1.00 0.00 O ATOM 162 CB ILE A 10 -4.883 -2.950 -1.275 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.344 -4.321 -0.777 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.816 -2.338 -0.365 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.183 -4.436 0.741 1.00 0.00 C ATOM 0 H ILE A 10 -6.334 -2.972 -3.280 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.777 -2.267 -0.655 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.425 -3.100 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.388 -4.478 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.766 -5.104 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.983 -3.033 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.459 -1.405 -0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.246 -2.140 0.617 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.518 -5.420 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.134 -4.302 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.782 -3.667 1.230 1.00 0.00 H new ATOM 177 N ILE A 11 -4.827 -0.043 -2.100 1.00 0.00 N ATOM 178 CA ILE A 11 -4.393 1.342 -2.028 1.00 0.00 C ATOM 179 C ILE A 11 -5.617 2.249 -1.890 1.00 0.00 C ATOM 180 O ILE A 11 -5.663 3.105 -1.008 1.00 0.00 O ATOM 181 CB ILE A 11 -3.503 1.687 -3.224 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.061 1.235 -2.984 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.589 3.178 -3.559 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.573 0.333 -4.119 1.00 0.00 C ATOM 0 H ILE A 11 -4.398 -0.586 -2.850 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.776 1.503 -1.144 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.871 1.140 -4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.412 2.107 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.997 0.700 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.947 3.397 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.619 3.437 -3.804 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.262 3.763 -2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.546 0.026 -3.924 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.210 -0.549 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.616 0.879 -5.061 1.00 0.00 H new ATOM 196 N GLY A 12 -6.579 2.030 -2.775 1.00 0.00 N ATOM 197 CA GLY A 12 -7.800 2.817 -2.762 1.00 0.00 C ATOM 198 C GLY A 12 -8.432 2.827 -1.369 1.00 0.00 C ATOM 199 O GLY A 12 -9.020 3.825 -0.957 1.00 0.00 O ATOM 0 H GLY A 12 -6.537 1.319 -3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -7.582 3.839 -3.073 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.508 2.408 -3.483 1.00 0.00 H new ATOM 203 N GLN A 13 -8.289 1.703 -0.682 1.00 0.00 N ATOM 204 CA GLN A 13 -8.839 1.570 0.657 1.00 0.00 C ATOM 205 C GLN A 13 -7.969 2.323 1.665 1.00 0.00 C ATOM 206 O GLN A 13 -8.427 2.660 2.756 1.00 0.00 O ATOM 207 CB GLN A 13 -8.981 0.097 1.047 1.00 0.00 C ATOM 208 CG GLN A 13 -10.418 -0.224 1.463 1.00 0.00 C ATOM 209 CD GLN A 13 -10.468 -0.746 2.901 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.488 -1.219 3.452 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.662 -0.633 3.475 1.00 0.00 N ATOM 0 H GLN A 13 -7.801 0.877 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.835 2.012 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.692 -0.535 0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.301 -0.133 1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.034 0.671 1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.839 -0.968 0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.441 -0.227 2.956 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.799 -0.952 4.434 1.00 0.00 H new ATOM 220 N GLN A 14 -6.730 2.565 1.265 1.00 0.00 N ATOM 221 CA GLN A 14 -5.792 3.272 2.120 1.00 0.00 C ATOM 222 C GLN A 14 -5.998 4.783 1.999 1.00 0.00 C ATOM 223 O GLN A 14 -5.196 5.566 2.506 1.00 0.00 O ATOM 224 CB GLN A 14 -4.349 2.887 1.787 1.00 0.00 C ATOM 225 CG GLN A 14 -4.172 1.367 1.792 1.00 0.00 C ATOM 226 CD GLN A 14 -2.895 0.962 1.052 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.817 -0.079 0.421 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.903 1.841 1.164 1.00 0.00 N ATOM 0 H GLN A 14 -6.353 2.284 0.360 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.982 2.981 3.153 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.079 3.285 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.672 3.338 2.512 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.132 1.005 2.819 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.035 0.895 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.036 2.693 1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.009 1.663 0.706 1.00 0.00 H new ATOM 237 N LEU A 15 -7.078 5.148 1.323 1.00 0.00 N ATOM 238 CA LEU A 15 -7.400 6.552 1.129 1.00 0.00 C ATOM 239 C LEU A 15 -8.909 6.701 0.924 1.00 0.00 C ATOM 240 O LEU A 15 -9.593 7.308 1.747 1.00 0.00 O ATOM 241 CB LEU A 15 -6.564 7.141 -0.010 1.00 0.00 C ATOM 242 CG LEU A 15 -6.422 6.268 -1.259 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.137 6.902 -2.454 1.00 0.00 C ATOM 244 CD2 LEU A 15 -4.951 5.976 -1.560 1.00 0.00 C ATOM 0 H LEU A 15 -7.741 4.496 0.903 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.140 7.129 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.007 8.093 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.567 7.358 0.373 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.906 5.311 -1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.021 6.262 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.197 7.016 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.703 7.881 -2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.879 5.354 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.421 6.914 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.504 5.452 -0.715 1.00 0.00 H new ATOM 256 N GLY A 16 -9.383 6.137 -0.177 1.00 0.00 N ATOM 257 CA GLY A 16 -10.798 6.200 -0.499 1.00 0.00 C ATOM 258 C GLY A 16 -11.041 5.857 -1.970 1.00 0.00 C ATOM 259 O GLY A 16 -11.239 6.748 -2.795 1.00 0.00 O ATOM 0 H GLY A 16 -8.812 5.635 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.350 5.507 0.136 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.179 7.199 -0.287 1.00 0.00 H new ATOM 263 N VAL A 17 -11.017 4.563 -2.255 1.00 0.00 N ATOM 264 CA VAL A 17 -11.232 4.091 -3.612 1.00 0.00 C ATOM 265 C VAL A 17 -12.048 5.129 -4.385 1.00 0.00 C ATOM 266 O VAL A 17 -13.195 5.406 -4.038 1.00 0.00 O ATOM 267 CB VAL A 17 -11.891 2.710 -3.588 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.853 1.611 -3.350 1.00 0.00 C ATOM 269 CG2 VAL A 17 -13.002 2.651 -2.538 1.00 0.00 C ATOM 0 H VAL A 17 -10.852 3.827 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.280 3.973 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.343 2.538 -4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -11.348 0.640 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.112 1.631 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.358 1.779 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -13.454 1.659 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -12.583 2.855 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.762 3.397 -2.770 1.00 0.00 H new ATOM 279 N LYS A 18 -11.425 5.674 -5.419 1.00 0.00 N ATOM 280 CA LYS A 18 -12.079 6.676 -6.244 1.00 0.00 C ATOM 281 C LYS A 18 -11.818 6.364 -7.719 1.00 0.00 C ATOM 282 O LYS A 18 -11.690 5.201 -8.099 1.00 0.00 O ATOM 283 CB LYS A 18 -11.644 8.082 -5.826 1.00 0.00 C ATOM 284 CG LYS A 18 -12.836 9.040 -5.800 1.00 0.00 C ATOM 285 CD LYS A 18 -12.501 10.352 -6.510 1.00 0.00 C ATOM 286 CE LYS A 18 -13.719 10.897 -7.259 1.00 0.00 C ATOM 287 NZ LYS A 18 -13.605 12.362 -7.438 1.00 0.00 N ATOM 0 H LYS A 18 -10.474 5.441 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.159 6.645 -6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.181 8.045 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.889 8.454 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.694 8.571 -6.281 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -13.121 9.244 -4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.159 11.087 -5.781 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.681 10.192 -7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.803 10.411 -8.231 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.628 10.662 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.440 12.715 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.548 12.822 -6.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.748 12.579 -7.985 1.00 0.00 H new ATOM 300 N GLN A 19 -11.747 7.424 -8.511 1.00 0.00 N ATOM 301 CA GLN A 19 -11.503 7.279 -9.936 1.00 0.00 C ATOM 302 C GLN A 19 -10.346 8.180 -10.372 1.00 0.00 C ATOM 303 O GLN A 19 -9.495 7.767 -11.158 1.00 0.00 O ATOM 304 CB GLN A 19 -12.768 7.582 -10.742 1.00 0.00 C ATOM 305 CG GLN A 19 -13.438 6.291 -11.217 1.00 0.00 C ATOM 306 CD GLN A 19 -14.569 6.592 -12.203 1.00 0.00 C ATOM 307 OE1 GLN A 19 -14.351 6.912 -13.359 1.00 0.00 O ATOM 308 NE2 GLN A 19 -15.787 6.470 -11.682 1.00 0.00 N ATOM 0 H GLN A 19 -11.854 8.387 -8.193 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.225 6.244 -10.133 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.465 8.154 -10.130 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -12.516 8.203 -11.602 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.698 5.646 -11.692 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.833 5.745 -10.360 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.899 6.198 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.609 6.648 -12.259 1.00 0.00 H new ATOM 317 N GLU A 20 -10.351 9.394 -9.842 1.00 0.00 N ATOM 318 CA GLU A 20 -9.313 10.357 -10.166 1.00 0.00 C ATOM 319 C GLU A 20 -8.273 10.413 -9.045 1.00 0.00 C ATOM 320 O GLU A 20 -7.254 11.091 -9.172 1.00 0.00 O ATOM 321 CB GLU A 20 -9.911 11.740 -10.429 1.00 0.00 C ATOM 322 CG GLU A 20 -9.551 12.236 -11.831 1.00 0.00 C ATOM 323 CD GLU A 20 -9.866 13.725 -11.985 1.00 0.00 C ATOM 324 OE1 GLU A 20 -9.957 14.446 -10.980 1.00 0.00 O ATOM 325 OE2 GLU A 20 -10.019 14.127 -13.201 1.00 0.00 O ATOM 0 H GLU A 20 -11.058 9.733 -9.190 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.816 10.033 -11.080 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.995 11.698 -10.322 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.544 12.446 -9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.492 12.064 -12.020 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.105 11.665 -12.576 1.00 0.00 H new ATOM 333 N GLU A 21 -8.565 9.692 -7.973 1.00 0.00 N ATOM 334 CA GLU A 21 -7.668 9.651 -6.831 1.00 0.00 C ATOM 335 C GLU A 21 -6.935 8.309 -6.779 1.00 0.00 C ATOM 336 O GLU A 21 -5.960 8.158 -6.045 1.00 0.00 O ATOM 337 CB GLU A 21 -8.426 9.913 -5.528 1.00 0.00 C ATOM 338 CG GLU A 21 -7.458 10.142 -4.366 1.00 0.00 C ATOM 339 CD GLU A 21 -8.174 10.778 -3.173 1.00 0.00 C ATOM 340 OE1 GLU A 21 -8.657 10.059 -2.285 1.00 0.00 O ATOM 341 OE2 GLU A 21 -8.217 12.067 -3.186 1.00 0.00 O ATOM 0 H GLU A 21 -9.411 9.131 -7.871 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.928 10.443 -6.947 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.070 10.785 -5.647 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.075 9.066 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.015 9.193 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.641 10.787 -4.690 1.00 0.00 H new ATOM 349 N VAL A 22 -7.434 7.368 -7.567 1.00 0.00 N ATOM 350 CA VAL A 22 -6.839 6.043 -7.620 1.00 0.00 C ATOM 351 C VAL A 22 -6.521 5.690 -9.074 1.00 0.00 C ATOM 352 O VAL A 22 -6.672 4.540 -9.484 1.00 0.00 O ATOM 353 CB VAL A 22 -7.764 5.027 -6.946 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.249 3.601 -7.147 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.936 5.345 -5.460 1.00 0.00 C ATOM 0 H VAL A 22 -8.244 7.497 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.899 6.023 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.744 5.099 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.924 2.898 -6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.202 3.378 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.253 3.509 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.598 4.608 -5.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.965 5.314 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.368 6.339 -5.348 1.00 0.00 H new ATOM 365 N THR A 23 -6.086 6.699 -9.814 1.00 0.00 N ATOM 366 CA THR A 23 -5.746 6.509 -11.213 1.00 0.00 C ATOM 367 C THR A 23 -4.532 5.587 -11.346 1.00 0.00 C ATOM 368 O THR A 23 -3.980 5.133 -10.345 1.00 0.00 O ATOM 369 CB THR A 23 -5.531 7.889 -11.839 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.266 8.307 -11.334 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.511 8.934 -11.302 1.00 0.00 C ATOM 0 H THR A 23 -5.961 7.651 -9.470 1.00 0.00 H new ATOM 0 HA THR A 23 -6.553 6.013 -11.752 1.00 0.00 H new ATOM 0 HB THR A 23 -5.635 7.816 -12.922 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.048 9.193 -11.692 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.316 9.895 -11.778 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.532 8.622 -11.521 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.385 9.031 -10.224 1.00 0.00 H new ATOM 379 N ASN A 24 -4.153 5.336 -12.591 1.00 0.00 N ATOM 380 CA ASN A 24 -3.016 4.476 -12.868 1.00 0.00 C ATOM 381 C ASN A 24 -1.730 5.181 -12.431 1.00 0.00 C ATOM 382 O ASN A 24 -1.027 4.702 -11.542 1.00 0.00 O ATOM 383 CB ASN A 24 -2.904 4.174 -14.364 1.00 0.00 C ATOM 384 CG ASN A 24 -4.198 3.556 -14.896 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.530 2.414 -14.622 1.00 0.00 O ATOM 386 ND2 ASN A 24 -4.909 4.371 -15.671 1.00 0.00 N ATOM 0 H ASN A 24 -4.614 5.714 -13.419 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.158 3.544 -12.322 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.684 5.092 -14.909 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.072 3.492 -14.540 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.789 4.051 -16.075 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.574 5.316 -15.861 1.00 0.00 H new ATOM 393 N ASN A 25 -1.462 6.307 -13.075 1.00 0.00 N ATOM 394 CA ASN A 25 -0.274 7.083 -12.764 1.00 0.00 C ATOM 395 C ASN A 25 -0.611 8.115 -11.686 1.00 0.00 C ATOM 396 O ASN A 25 -0.083 9.226 -11.698 1.00 0.00 O ATOM 397 CB ASN A 25 0.232 7.835 -13.997 1.00 0.00 C ATOM 398 CG ASN A 25 1.761 7.861 -14.034 1.00 0.00 C ATOM 399 OD1 ASN A 25 2.438 7.340 -13.162 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.266 8.494 -15.089 1.00 0.00 N ATOM 0 H ASN A 25 -2.048 6.701 -13.811 1.00 0.00 H new ATOM 0 HA ASN A 25 0.498 6.394 -12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.149 7.358 -14.900 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.153 8.855 -13.989 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.277 8.566 -15.205 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.642 8.908 -15.782 1.00 0.00 H new ATOM 407 N ALA A 26 -1.490 7.712 -10.780 1.00 0.00 N ATOM 408 CA ALA A 26 -1.904 8.588 -9.698 1.00 0.00 C ATOM 409 C ALA A 26 -0.700 8.894 -8.805 1.00 0.00 C ATOM 410 O ALA A 26 0.004 7.982 -8.373 1.00 0.00 O ATOM 411 CB ALA A 26 -3.053 7.937 -8.925 1.00 0.00 C ATOM 0 H ALA A 26 -1.927 6.790 -10.773 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.271 9.536 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.364 8.594 -8.113 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.894 7.768 -9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.721 6.984 -8.513 1.00 0.00 H new ATOM 417 N SER A 27 -0.500 10.179 -8.554 1.00 0.00 N ATOM 418 CA SER A 27 0.607 10.616 -7.721 1.00 0.00 C ATOM 419 C SER A 27 0.252 10.436 -6.243 1.00 0.00 C ATOM 420 O SER A 27 -0.759 9.817 -5.915 1.00 0.00 O ATOM 421 CB SER A 27 0.968 12.075 -8.005 1.00 0.00 C ATOM 422 OG SER A 27 2.110 12.188 -8.850 1.00 0.00 O ATOM 0 H SER A 27 -1.086 10.932 -8.913 1.00 0.00 H new ATOM 0 HA SER A 27 1.476 10.002 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.120 12.574 -8.474 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.161 12.590 -7.064 1.00 0.00 H new ATOM 0 HG SER A 27 2.307 13.135 -9.009 1.00 0.00 H new ATOM 428 N PHE A 28 1.104 10.987 -5.391 1.00 0.00 N ATOM 429 CA PHE A 28 0.894 10.895 -3.957 1.00 0.00 C ATOM 430 C PHE A 28 1.265 12.206 -3.262 1.00 0.00 C ATOM 431 O PHE A 28 0.537 12.680 -2.392 1.00 0.00 O ATOM 432 CB PHE A 28 1.808 9.782 -3.441 1.00 0.00 C ATOM 433 CG PHE A 28 1.103 8.439 -3.242 1.00 0.00 C ATOM 434 CD1 PHE A 28 0.740 7.694 -4.321 1.00 0.00 C ATOM 435 CD2 PHE A 28 0.838 7.989 -1.986 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.085 6.448 -4.137 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.183 6.743 -1.802 1.00 0.00 C ATOM 438 CZ PHE A 28 -0.179 5.998 -2.881 1.00 0.00 C ATOM 0 H PHE A 28 1.942 11.499 -5.667 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.156 10.689 -3.748 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.631 9.648 -4.142 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.245 10.095 -2.493 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.950 8.051 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.126 8.580 -1.129 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.204 5.858 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.028 6.386 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.676 5.049 -2.740 1.00 0.00 H new ATOM 448 N VAL A 29 2.399 12.756 -3.674 1.00 0.00 N ATOM 449 CA VAL A 29 2.876 14.004 -3.102 1.00 0.00 C ATOM 450 C VAL A 29 1.712 14.992 -3.002 1.00 0.00 C ATOM 451 O VAL A 29 1.490 15.590 -1.950 1.00 0.00 O ATOM 452 CB VAL A 29 4.048 14.542 -3.925 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.447 15.944 -3.459 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.241 13.586 -3.871 1.00 0.00 C ATOM 0 H VAL A 29 3.000 12.360 -4.397 1.00 0.00 H new ATOM 0 HA VAL A 29 3.252 13.842 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 29 3.723 14.614 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.282 16.303 -4.060 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.600 16.620 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.743 15.908 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.060 13.992 -4.464 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.566 13.467 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.948 12.616 -4.273 1.00 0.00 H new ATOM 464 N GLU A 30 0.999 15.132 -4.110 1.00 0.00 N ATOM 465 CA GLU A 30 -0.136 16.037 -4.160 1.00 0.00 C ATOM 466 C GLU A 30 -1.438 15.248 -4.313 1.00 0.00 C ATOM 467 O GLU A 30 -2.418 15.521 -3.622 1.00 0.00 O ATOM 468 CB GLU A 30 0.024 17.055 -5.291 1.00 0.00 C ATOM 469 CG GLU A 30 -0.055 18.486 -4.755 1.00 0.00 C ATOM 470 CD GLU A 30 -0.995 19.340 -5.609 1.00 0.00 C ATOM 471 OE1 GLU A 30 -1.124 19.100 -6.818 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.605 20.282 -4.972 1.00 0.00 O ATOM 0 H GLU A 30 1.186 14.634 -4.980 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.177 16.589 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.981 16.902 -5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.754 16.899 -6.038 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.406 18.473 -3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.940 18.931 -4.747 1.00 0.00 H new ATOM 480 N ASP A 31 -1.405 14.285 -5.222 1.00 0.00 N ATOM 481 CA ASP A 31 -2.570 13.454 -5.474 1.00 0.00 C ATOM 482 C ASP A 31 -3.157 12.987 -4.141 1.00 0.00 C ATOM 483 O ASP A 31 -4.349 13.155 -3.890 1.00 0.00 O ATOM 484 CB ASP A 31 -2.196 12.213 -6.287 1.00 0.00 C ATOM 485 CG ASP A 31 -3.062 11.965 -7.524 1.00 0.00 C ATOM 486 OD1 ASP A 31 -3.845 11.006 -7.574 1.00 0.00 O ATOM 487 OD2 ASP A 31 -2.904 12.818 -8.479 1.00 0.00 O ATOM 0 H ASP A 31 -0.590 14.062 -5.793 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.292 14.048 -6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.156 12.303 -6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.258 11.340 -5.638 1.00 0.00 H new ATOM 493 N LEU A 32 -2.292 12.410 -3.320 1.00 0.00 N ATOM 494 CA LEU A 32 -2.709 11.918 -2.018 1.00 0.00 C ATOM 495 C LEU A 32 -2.042 12.754 -0.924 1.00 0.00 C ATOM 496 O LEU A 32 -1.896 12.297 0.209 1.00 0.00 O ATOM 497 CB LEU A 32 -2.433 10.417 -1.899 1.00 0.00 C ATOM 498 CG LEU A 32 -3.508 9.491 -2.472 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.756 9.486 -1.586 1.00 0.00 C ATOM 500 CD2 LEU A 32 -3.835 9.859 -3.920 1.00 0.00 C ATOM 0 H LEU A 32 -1.304 12.272 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.786 12.032 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.490 10.200 -2.400 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.297 10.175 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.114 8.475 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.505 8.820 -2.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.492 9.139 -0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.162 10.496 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.602 9.185 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.200 10.885 -3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.936 9.769 -4.530 1.00 0.00 H new ATOM 512 N GLY A 33 -1.656 13.963 -1.301 1.00 0.00 N ATOM 513 CA GLY A 33 -1.008 14.867 -0.365 1.00 0.00 C ATOM 514 C GLY A 33 -0.081 14.104 0.582 1.00 0.00 C ATOM 515 O GLY A 33 0.114 14.509 1.727 1.00 0.00 O ATOM 0 H GLY A 33 -1.779 14.339 -2.241 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.437 15.616 -0.914 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.763 15.401 0.212 1.00 0.00 H new ATOM 519 N ALA A 34 0.468 13.012 0.070 1.00 0.00 N ATOM 520 CA ALA A 34 1.370 12.188 0.856 1.00 0.00 C ATOM 521 C ALA A 34 0.875 12.134 2.302 1.00 0.00 C ATOM 522 O ALA A 34 1.345 12.889 3.152 1.00 0.00 O ATOM 523 CB ALA A 34 2.792 12.741 0.747 1.00 0.00 C ATOM 0 H ALA A 34 0.305 12.679 -0.880 1.00 0.00 H new ATOM 0 HA ALA A 34 1.387 11.167 0.475 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.469 12.123 1.337 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.107 12.731 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.814 13.764 1.123 1.00 0.00 H new ATOM 529 N ASP A 35 -0.068 11.233 2.538 1.00 0.00 N ATOM 530 CA ASP A 35 -0.632 11.071 3.867 1.00 0.00 C ATOM 531 C ASP A 35 0.117 9.957 4.602 1.00 0.00 C ATOM 532 O ASP A 35 0.292 8.863 4.066 1.00 0.00 O ATOM 533 CB ASP A 35 -2.109 10.679 3.795 1.00 0.00 C ATOM 534 CG ASP A 35 -2.918 11.404 2.717 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.183 10.852 1.639 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.286 12.601 3.025 1.00 0.00 O ATOM 0 H ASP A 35 -0.455 10.608 1.831 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.536 12.022 4.392 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.176 9.606 3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.568 10.872 4.764 1.00 0.00 H new ATOM 542 N SER A 36 0.539 10.273 5.817 1.00 0.00 N ATOM 543 CA SER A 36 1.265 9.312 6.631 1.00 0.00 C ATOM 544 C SER A 36 0.554 7.957 6.599 1.00 0.00 C ATOM 545 O SER A 36 1.203 6.912 6.598 1.00 0.00 O ATOM 546 CB SER A 36 1.404 9.805 8.072 1.00 0.00 C ATOM 547 OG SER A 36 2.718 10.280 8.349 1.00 0.00 O ATOM 0 H SER A 36 0.392 11.181 6.258 1.00 0.00 H new ATOM 0 HA SER A 36 2.267 9.199 6.216 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.684 10.603 8.253 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.160 8.994 8.758 1.00 0.00 H new ATOM 0 HG SER A 36 2.766 10.587 9.278 1.00 0.00 H new ATOM 553 N LEU A 37 -0.769 8.019 6.575 1.00 0.00 N ATOM 554 CA LEU A 37 -1.574 6.810 6.544 1.00 0.00 C ATOM 555 C LEU A 37 -1.328 6.073 5.226 1.00 0.00 C ATOM 556 O LEU A 37 -1.286 4.844 5.197 1.00 0.00 O ATOM 557 CB LEU A 37 -3.046 7.140 6.799 1.00 0.00 C ATOM 558 CG LEU A 37 -3.347 7.918 8.082 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.811 8.361 8.124 1.00 0.00 C ATOM 560 CD2 LEU A 37 -2.958 7.106 9.319 1.00 0.00 C ATOM 0 H LEU A 37 -1.304 8.888 6.576 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.279 6.135 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.421 7.715 5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.608 6.206 6.824 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.737 8.822 8.085 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.998 8.912 9.046 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.022 9.003 7.269 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.458 7.484 8.087 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.182 7.681 10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.523 6.174 9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.891 6.883 9.287 1.00 0.00 H new ATOM 572 N ASP A 38 -1.173 6.854 4.167 1.00 0.00 N ATOM 573 CA ASP A 38 -0.933 6.291 2.850 1.00 0.00 C ATOM 574 C ASP A 38 0.456 5.650 2.820 1.00 0.00 C ATOM 575 O ASP A 38 0.610 4.514 2.374 1.00 0.00 O ATOM 576 CB ASP A 38 -0.977 7.375 1.771 1.00 0.00 C ATOM 577 CG ASP A 38 -2.137 7.255 0.781 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.797 8.250 0.447 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.357 6.062 0.341 1.00 0.00 O ATOM 0 H ASP A 38 -1.209 7.873 4.195 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.711 5.553 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.034 8.349 2.258 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.040 7.351 1.214 1.00 0.00 H new ATOM 585 N THR A 39 1.432 6.406 3.299 1.00 0.00 N ATOM 586 CA THR A 39 2.803 5.926 3.333 1.00 0.00 C ATOM 587 C THR A 39 2.928 4.733 4.283 1.00 0.00 C ATOM 588 O THR A 39 3.699 3.810 4.027 1.00 0.00 O ATOM 589 CB THR A 39 3.707 7.102 3.712 1.00 0.00 C ATOM 590 OG1 THR A 39 3.618 7.982 2.595 1.00 0.00 O ATOM 591 CG2 THR A 39 5.185 6.711 3.763 1.00 0.00 C ATOM 0 H THR A 39 1.301 7.348 3.667 1.00 0.00 H new ATOM 0 HA THR A 39 3.117 5.557 2.356 1.00 0.00 H new ATOM 0 HB THR A 39 3.403 7.496 4.682 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.173 8.773 2.757 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.782 7.581 4.036 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.328 5.925 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.499 6.348 2.784 1.00 0.00 H new ATOM 599 N VAL A 40 2.156 4.791 5.358 1.00 0.00 N ATOM 600 CA VAL A 40 2.170 3.727 6.347 1.00 0.00 C ATOM 601 C VAL A 40 1.343 2.547 5.832 1.00 0.00 C ATOM 602 O VAL A 40 1.724 1.391 6.013 1.00 0.00 O ATOM 603 CB VAL A 40 1.679 4.258 7.695 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.582 3.132 8.726 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.578 5.389 8.200 1.00 0.00 C ATOM 0 H VAL A 40 1.517 5.558 5.566 1.00 0.00 H new ATOM 0 HA VAL A 40 3.187 3.367 6.506 1.00 0.00 H new ATOM 0 HB VAL A 40 0.679 4.666 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.231 3.537 9.675 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.882 2.375 8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.564 2.681 8.865 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.206 5.748 9.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.596 5.018 8.321 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.573 6.207 7.480 1.00 0.00 H new ATOM 615 N GLU A 41 0.227 2.879 5.201 1.00 0.00 N ATOM 616 CA GLU A 41 -0.657 1.861 4.659 1.00 0.00 C ATOM 617 C GLU A 41 0.058 1.065 3.565 1.00 0.00 C ATOM 618 O GLU A 41 -0.361 -0.039 3.222 1.00 0.00 O ATOM 619 CB GLU A 41 -1.950 2.485 4.127 1.00 0.00 C ATOM 620 CG GLU A 41 -2.934 2.760 5.266 1.00 0.00 C ATOM 621 CD GLU A 41 -4.186 1.892 5.130 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.078 0.664 4.998 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.303 2.537 5.166 1.00 0.00 O ATOM 0 H GLU A 41 -0.086 3.839 5.053 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.926 1.176 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.722 3.415 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.408 1.816 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.452 2.562 6.223 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.215 3.813 5.262 1.00 0.00 H new ATOM 631 N LEU A 42 1.125 1.657 3.048 1.00 0.00 N ATOM 632 CA LEU A 42 1.902 1.017 2.001 1.00 0.00 C ATOM 633 C LEU A 42 2.766 -0.086 2.614 1.00 0.00 C ATOM 634 O LEU A 42 2.969 -1.134 2.002 1.00 0.00 O ATOM 635 CB LEU A 42 2.701 2.058 1.214 1.00 0.00 C ATOM 636 CG LEU A 42 2.734 1.871 -0.304 1.00 0.00 C ATOM 637 CD1 LEU A 42 2.257 3.134 -1.023 1.00 0.00 C ATOM 638 CD2 LEU A 42 4.125 1.436 -0.772 1.00 0.00 C ATOM 0 H LEU A 42 1.469 2.573 3.335 1.00 0.00 H new ATOM 0 HA LEU A 42 1.243 0.540 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.288 3.043 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.727 2.055 1.583 1.00 0.00 H new ATOM 0 HG LEU A 42 2.041 1.071 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.290 2.974 -2.101 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.234 3.360 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.906 3.969 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.122 1.310 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.856 2.197 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.390 0.491 -0.298 1.00 0.00 H new ATOM 650 N VAL A 43 3.252 0.187 3.817 1.00 0.00 N ATOM 651 CA VAL A 43 4.089 -0.770 4.520 1.00 0.00 C ATOM 652 C VAL A 43 3.213 -1.886 5.091 1.00 0.00 C ATOM 653 O VAL A 43 3.682 -3.004 5.300 1.00 0.00 O ATOM 654 CB VAL A 43 4.917 -0.054 5.589 1.00 0.00 C ATOM 655 CG1 VAL A 43 6.049 -0.949 6.097 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.462 1.275 5.062 1.00 0.00 C ATOM 0 H VAL A 43 3.082 1.057 4.322 1.00 0.00 H new ATOM 0 HA VAL A 43 4.798 -1.233 3.834 1.00 0.00 H new ATOM 0 HB VAL A 43 4.260 0.164 6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.622 -0.416 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.629 -1.856 6.531 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.704 -1.213 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.047 1.763 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.096 1.090 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.632 1.920 4.773 1.00 0.00 H new ATOM 666 N MET A 44 1.954 -1.545 5.326 1.00 0.00 N ATOM 667 CA MET A 44 1.007 -2.505 5.869 1.00 0.00 C ATOM 668 C MET A 44 0.268 -3.238 4.748 1.00 0.00 C ATOM 669 O MET A 44 0.060 -4.448 4.825 1.00 0.00 O ATOM 670 CB MET A 44 -0.004 -1.778 6.758 1.00 0.00 C ATOM 671 CG MET A 44 0.679 -1.183 7.991 1.00 0.00 C ATOM 672 SD MET A 44 -0.546 -0.734 9.209 1.00 0.00 S ATOM 673 CE MET A 44 0.481 -0.653 10.667 1.00 0.00 C ATOM 0 H MET A 44 1.568 -0.617 5.150 1.00 0.00 H new ATOM 0 HA MET A 44 1.558 -3.239 6.457 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.490 -0.985 6.189 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.785 -2.472 7.070 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.377 -1.905 8.414 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.260 -0.306 7.707 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.130 -0.382 11.528 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.943 -1.625 10.841 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.258 0.098 10.523 1.00 0.00 H new ATOM 683 N ALA A 45 -0.110 -2.475 3.733 1.00 0.00 N ATOM 684 CA ALA A 45 -0.822 -3.038 2.598 1.00 0.00 C ATOM 685 C ALA A 45 0.031 -4.136 1.960 1.00 0.00 C ATOM 686 O ALA A 45 -0.448 -5.247 1.736 1.00 0.00 O ATOM 687 CB ALA A 45 -1.171 -1.922 1.611 1.00 0.00 C ATOM 0 H ALA A 45 0.063 -1.472 3.673 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.758 -3.494 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.705 -2.343 0.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.802 -1.183 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.255 -1.443 1.264 1.00 0.00 H new ATOM 693 N LEU A 46 1.279 -3.787 1.685 1.00 0.00 N ATOM 694 CA LEU A 46 2.203 -4.729 1.077 1.00 0.00 C ATOM 695 C LEU A 46 2.487 -5.865 2.061 1.00 0.00 C ATOM 696 O LEU A 46 2.724 -7.001 1.652 1.00 0.00 O ATOM 697 CB LEU A 46 3.461 -4.007 0.590 1.00 0.00 C ATOM 698 CG LEU A 46 3.251 -2.952 -0.497 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.457 -2.883 -1.436 1.00 0.00 C ATOM 700 CD2 LEU A 46 1.947 -3.200 -1.258 1.00 0.00 C ATOM 0 H LEU A 46 1.672 -2.865 1.872 1.00 0.00 H new ATOM 0 HA LEU A 46 1.759 -5.180 0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.935 -3.528 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.161 -4.753 0.214 1.00 0.00 H new ATOM 0 HG LEU A 46 3.163 -1.979 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.281 -2.125 -2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.348 -2.623 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.602 -3.852 -1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.822 -2.436 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.981 -4.183 -1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.107 -3.158 -0.564 1.00 0.00 H new ATOM 712 N GLU A 47 2.455 -5.520 3.340 1.00 0.00 N ATOM 713 CA GLU A 47 2.706 -6.497 4.386 1.00 0.00 C ATOM 714 C GLU A 47 1.561 -7.509 4.453 1.00 0.00 C ATOM 715 O GLU A 47 1.796 -8.715 4.511 1.00 0.00 O ATOM 716 CB GLU A 47 2.912 -5.811 5.738 1.00 0.00 C ATOM 717 CG GLU A 47 4.396 -5.762 6.107 1.00 0.00 C ATOM 718 CD GLU A 47 4.650 -6.450 7.449 1.00 0.00 C ATOM 719 OE1 GLU A 47 5.360 -7.466 7.501 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.081 -5.894 8.464 1.00 0.00 O ATOM 0 H GLU A 47 2.259 -4.577 3.676 1.00 0.00 H new ATOM 0 HA GLU A 47 3.624 -7.033 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.509 -4.799 5.702 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.359 -6.347 6.510 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.984 -6.247 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.728 -4.725 6.157 1.00 0.00 H new ATOM 728 N GLU A 48 0.345 -6.981 4.442 1.00 0.00 N ATOM 729 CA GLU A 48 -0.837 -7.823 4.501 1.00 0.00 C ATOM 730 C GLU A 48 -1.033 -8.557 3.173 1.00 0.00 C ATOM 731 O GLU A 48 -1.818 -9.500 3.091 1.00 0.00 O ATOM 732 CB GLU A 48 -2.077 -7.003 4.863 1.00 0.00 C ATOM 733 CG GLU A 48 -2.992 -7.781 5.811 1.00 0.00 C ATOM 734 CD GLU A 48 -4.383 -7.968 5.201 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.533 -7.913 3.971 1.00 0.00 O ATOM 736 OE2 GLU A 48 -5.328 -8.177 6.053 1.00 0.00 O ATOM 0 H GLU A 48 0.154 -5.980 4.393 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.691 -8.565 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.774 -6.067 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.623 -6.744 3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.553 -8.755 6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.075 -7.250 6.759 1.00 0.00 H new ATOM 744 N GLU A 49 -0.305 -8.096 2.166 1.00 0.00 N ATOM 745 CA GLU A 49 -0.389 -8.697 0.846 1.00 0.00 C ATOM 746 C GLU A 49 0.582 -9.874 0.735 1.00 0.00 C ATOM 747 O GLU A 49 0.160 -11.026 0.655 1.00 0.00 O ATOM 748 CB GLU A 49 -0.120 -7.660 -0.247 1.00 0.00 C ATOM 749 CG GLU A 49 -0.900 -7.991 -1.521 1.00 0.00 C ATOM 750 CD GLU A 49 0.011 -7.942 -2.749 1.00 0.00 C ATOM 751 OE1 GLU A 49 -0.123 -8.779 -3.654 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.884 -6.992 -2.744 1.00 0.00 O ATOM 0 H GLU A 49 0.345 -7.314 2.238 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.402 -9.073 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.402 -6.669 0.109 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.947 -7.627 -0.468 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.344 -8.982 -1.433 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.720 -7.284 -1.644 1.00 0.00 H new ATOM 760 N PHE A 50 1.865 -9.543 0.735 1.00 0.00 N ATOM 761 CA PHE A 50 2.900 -10.559 0.636 1.00 0.00 C ATOM 762 C PHE A 50 3.967 -10.361 1.714 1.00 0.00 C ATOM 763 O PHE A 50 5.138 -10.671 1.498 1.00 0.00 O ATOM 764 CB PHE A 50 3.548 -10.404 -0.741 1.00 0.00 C ATOM 765 CG PHE A 50 3.099 -11.452 -1.761 1.00 0.00 C ATOM 766 CD1 PHE A 50 3.705 -12.669 -1.797 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.093 -11.167 -2.632 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.288 -13.642 -2.744 1.00 0.00 C ATOM 769 CE2 PHE A 50 1.677 -12.140 -3.578 1.00 0.00 C ATOM 770 CZ PHE A 50 2.283 -13.357 -3.614 1.00 0.00 C ATOM 0 H PHE A 50 2.212 -8.586 0.802 1.00 0.00 H new ATOM 0 HA PHE A 50 2.464 -11.549 0.772 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.319 -9.412 -1.130 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.631 -10.460 -0.630 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.503 -12.896 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.611 -10.201 -2.603 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.769 -14.608 -2.773 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.879 -11.914 -4.270 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.966 -14.097 -4.334 1.00 0.00 H new ATOM 780 N ASP A 51 3.525 -9.845 2.852 1.00 0.00 N ATOM 781 CA ASP A 51 4.428 -9.602 3.964 1.00 0.00 C ATOM 782 C ASP A 51 5.757 -9.064 3.428 1.00 0.00 C ATOM 783 O ASP A 51 6.819 -9.380 3.963 1.00 0.00 O ATOM 784 CB ASP A 51 4.716 -10.893 4.732 1.00 0.00 C ATOM 785 CG ASP A 51 5.391 -10.700 6.092 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.584 -10.993 6.260 1.00 0.00 O ATOM 787 OD2 ASP A 51 4.629 -10.220 7.015 1.00 0.00 O ATOM 0 H ASP A 51 2.553 -9.589 3.028 1.00 0.00 H new ATOM 0 HA ASP A 51 3.954 -8.883 4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.777 -11.426 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.350 -11.531 4.116 1.00 0.00 H new ATOM 793 N THR A 52 5.654 -8.262 2.379 1.00 0.00 N ATOM 794 CA THR A 52 6.834 -7.678 1.765 1.00 0.00 C ATOM 795 C THR A 52 7.376 -6.537 2.629 1.00 0.00 C ATOM 796 O THR A 52 8.550 -6.184 2.534 1.00 0.00 O ATOM 797 CB THR A 52 6.463 -7.242 0.346 1.00 0.00 C ATOM 798 OG1 THR A 52 5.117 -6.791 0.463 1.00 0.00 O ATOM 799 CG2 THR A 52 6.378 -8.421 -0.625 1.00 0.00 C ATOM 0 H THR A 52 4.771 -8.003 1.938 1.00 0.00 H new ATOM 0 HA THR A 52 7.644 -8.404 1.696 1.00 0.00 H new ATOM 0 HB THR A 52 7.199 -6.525 -0.018 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.694 -6.792 -0.421 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.112 -8.057 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.343 -8.925 -0.670 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.618 -9.122 -0.280 1.00 0.00 H new ATOM 807 N GLU A 53 6.493 -5.991 3.453 1.00 0.00 N ATOM 808 CA GLU A 53 6.867 -4.897 4.333 1.00 0.00 C ATOM 809 C GLU A 53 7.784 -3.916 3.600 1.00 0.00 C ATOM 810 O GLU A 53 9.002 -4.089 3.588 1.00 0.00 O ATOM 811 CB GLU A 53 7.532 -5.422 5.607 1.00 0.00 C ATOM 812 CG GLU A 53 8.438 -6.616 5.301 1.00 0.00 C ATOM 813 CD GLU A 53 9.063 -7.172 6.582 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.762 -6.440 7.299 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.800 -8.412 6.823 1.00 0.00 O ATOM 0 H GLU A 53 5.520 -6.286 3.529 1.00 0.00 H new ATOM 0 HA GLU A 53 5.961 -4.367 4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.116 -4.627 6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.767 -5.716 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.862 -7.397 4.805 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.225 -6.313 4.610 1.00 0.00 H new ATOM 823 N ILE A 54 7.164 -2.907 3.006 1.00 0.00 N ATOM 824 CA ILE A 54 7.909 -1.898 2.272 1.00 0.00 C ATOM 825 C ILE A 54 8.255 -0.741 3.212 1.00 0.00 C ATOM 826 O ILE A 54 7.421 -0.314 4.009 1.00 0.00 O ATOM 827 CB ILE A 54 7.139 -1.466 1.023 1.00 0.00 C ATOM 828 CG1 ILE A 54 8.063 -0.767 0.024 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.934 -0.598 1.394 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.349 -0.528 -1.308 1.00 0.00 C ATOM 0 H ILE A 54 6.154 -2.766 3.018 1.00 0.00 H new ATOM 0 HA ILE A 54 8.852 -2.309 1.911 1.00 0.00 H new ATOM 0 HB ILE A 54 6.753 -2.360 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.398 0.184 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.953 -1.374 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.404 -0.305 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.263 -1.164 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.276 0.294 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.028 -0.030 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.037 -1.483 -1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.473 0.100 -1.144 1.00 0.00 H new ATOM 842 N PRO A 55 9.518 -0.255 3.085 1.00 0.00 N ATOM 843 CA PRO A 55 9.985 0.843 3.914 1.00 0.00 C ATOM 844 C PRO A 55 9.389 2.173 3.447 1.00 0.00 C ATOM 845 O PRO A 55 8.479 2.194 2.620 1.00 0.00 O ATOM 846 CB PRO A 55 11.500 0.801 3.807 1.00 0.00 C ATOM 847 CG PRO A 55 11.808 -0.019 2.564 1.00 0.00 C ATOM 848 CD PRO A 55 10.533 -0.737 2.153 1.00 0.00 C ATOM 0 HA PRO A 55 9.671 0.749 4.953 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.914 1.806 3.724 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.942 0.347 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.160 0.626 1.759 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.602 -0.737 2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.264 -0.508 1.122 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.649 -1.819 2.219 1.00 0.00 H new ATOM 856 N ASP A 56 9.927 3.251 3.998 1.00 0.00 N ATOM 857 CA ASP A 56 9.461 4.582 3.648 1.00 0.00 C ATOM 858 C ASP A 56 10.434 5.214 2.651 1.00 0.00 C ATOM 859 O ASP A 56 10.111 6.213 2.010 1.00 0.00 O ATOM 860 CB ASP A 56 9.396 5.485 4.882 1.00 0.00 C ATOM 861 CG ASP A 56 8.045 6.164 5.116 1.00 0.00 C ATOM 862 OD1 ASP A 56 7.799 7.280 4.635 1.00 0.00 O ATOM 863 OD2 ASP A 56 7.214 5.490 5.836 1.00 0.00 O ATOM 0 H ASP A 56 10.681 3.230 4.684 1.00 0.00 H new ATOM 0 HA ASP A 56 8.464 4.487 3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.644 4.891 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.162 6.255 4.791 1.00 0.00 H new ATOM 869 N GLU A 57 11.606 4.604 2.550 1.00 0.00 N ATOM 870 CA GLU A 57 12.628 5.094 1.641 1.00 0.00 C ATOM 871 C GLU A 57 12.340 4.625 0.214 1.00 0.00 C ATOM 872 O GLU A 57 12.216 5.440 -0.699 1.00 0.00 O ATOM 873 CB GLU A 57 14.021 4.651 2.093 1.00 0.00 C ATOM 874 CG GLU A 57 14.621 5.652 3.082 1.00 0.00 C ATOM 875 CD GLU A 57 15.507 4.944 4.109 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.034 4.046 4.822 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.729 5.356 4.152 1.00 0.00 O ATOM 0 H GLU A 57 11.870 3.775 3.083 1.00 0.00 H new ATOM 0 HA GLU A 57 12.606 6.184 1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.960 3.667 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.675 4.554 1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.207 6.396 2.542 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.821 6.187 3.594 1.00 0.00 H new ATOM 885 N GLU A 58 12.240 3.312 0.066 1.00 0.00 N ATOM 886 CA GLU A 58 11.968 2.724 -1.235 1.00 0.00 C ATOM 887 C GLU A 58 10.535 3.037 -1.670 1.00 0.00 C ATOM 888 O GLU A 58 10.215 2.977 -2.856 1.00 0.00 O ATOM 889 CB GLU A 58 12.218 1.215 -1.217 1.00 0.00 C ATOM 890 CG GLU A 58 13.429 0.849 -2.078 1.00 0.00 C ATOM 891 CD GLU A 58 12.990 0.334 -3.451 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.811 0.003 -3.640 1.00 0.00 O ATOM 893 OE2 GLU A 58 13.925 0.284 -4.339 1.00 0.00 O ATOM 0 H GLU A 58 12.342 2.639 0.825 1.00 0.00 H new ATOM 0 HA GLU A 58 12.652 3.164 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.382 0.882 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 58 11.335 0.692 -1.584 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.070 1.722 -2.201 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.022 0.087 -1.572 1.00 0.00 H new ATOM 901 N ALA A 59 9.710 3.365 -0.686 1.00 0.00 N ATOM 902 CA ALA A 59 8.319 3.688 -0.952 1.00 0.00 C ATOM 903 C ALA A 59 8.244 5.008 -1.722 1.00 0.00 C ATOM 904 O ALA A 59 7.347 5.204 -2.540 1.00 0.00 O ATOM 905 CB ALA A 59 7.545 3.738 0.367 1.00 0.00 C ATOM 0 H ALA A 59 9.979 3.414 0.297 1.00 0.00 H new ATOM 0 HA ALA A 59 7.859 2.918 -1.572 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.501 3.980 0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.604 2.768 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.977 4.501 1.014 1.00 0.00 H new ATOM 911 N GLU A 60 9.200 5.879 -1.433 1.00 0.00 N ATOM 912 CA GLU A 60 9.254 7.175 -2.088 1.00 0.00 C ATOM 913 C GLU A 60 9.315 7.000 -3.607 1.00 0.00 C ATOM 914 O GLU A 60 8.662 7.734 -4.347 1.00 0.00 O ATOM 915 CB GLU A 60 10.442 7.996 -1.583 1.00 0.00 C ATOM 916 CG GLU A 60 9.996 9.020 -0.537 1.00 0.00 C ATOM 917 CD GLU A 60 11.201 9.634 0.178 1.00 0.00 C ATOM 918 OE1 GLU A 60 11.749 10.645 -0.287 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.565 9.024 1.255 1.00 0.00 O ATOM 0 H GLU A 60 9.943 5.713 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 60 8.345 7.723 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.190 7.332 -1.151 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.916 8.509 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.414 9.807 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.342 8.540 0.191 1.00 0.00 H new ATOM 927 N LYS A 61 10.105 6.023 -4.027 1.00 0.00 N ATOM 928 CA LYS A 61 10.260 5.742 -5.444 1.00 0.00 C ATOM 929 C LYS A 61 9.118 4.836 -5.908 1.00 0.00 C ATOM 930 O LYS A 61 9.118 4.363 -7.043 1.00 0.00 O ATOM 931 CB LYS A 61 11.651 5.172 -5.728 1.00 0.00 C ATOM 932 CG LYS A 61 11.631 3.642 -5.710 1.00 0.00 C ATOM 933 CD LYS A 61 13.013 3.071 -6.032 1.00 0.00 C ATOM 934 CE LYS A 61 14.022 3.425 -4.938 1.00 0.00 C ATOM 935 NZ LYS A 61 15.221 4.064 -5.524 1.00 0.00 N ATOM 0 H LYS A 61 10.645 5.416 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 61 10.193 6.662 -6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.001 5.523 -6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.357 5.539 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.308 3.291 -4.730 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.904 3.276 -6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.948 1.988 -6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.358 3.462 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.561 4.098 -4.215 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.311 2.524 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.895 4.297 -4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 15.669 3.410 -6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.943 4.935 -6.020 1.00 0.00 H new ATOM 948 N ILE A 62 8.171 4.623 -5.006 1.00 0.00 N ATOM 949 CA ILE A 62 7.025 3.782 -5.308 1.00 0.00 C ATOM 950 C ILE A 62 5.748 4.478 -4.834 1.00 0.00 C ATOM 951 O ILE A 62 4.729 3.827 -4.608 1.00 0.00 O ATOM 952 CB ILE A 62 7.217 2.383 -4.721 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.619 1.849 -5.022 1.00 0.00 C ATOM 954 CG2 ILE A 62 6.124 1.429 -5.207 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.940 0.631 -4.155 1.00 0.00 C ATOM 0 H ILE A 62 8.174 5.018 -4.066 1.00 0.00 H new ATOM 0 HA ILE A 62 6.930 3.640 -6.385 1.00 0.00 H new ATOM 0 HB ILE A 62 7.125 2.453 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.691 1.579 -6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.356 2.632 -4.843 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.284 0.441 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.149 1.806 -4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.159 1.359 -6.294 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.942 0.272 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.891 0.911 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.216 -0.159 -4.354 1.00 0.00 H new ATOM 967 N THR A 63 5.845 5.793 -4.696 1.00 0.00 N ATOM 968 CA THR A 63 4.710 6.584 -4.252 1.00 0.00 C ATOM 969 C THR A 63 3.523 6.392 -5.199 1.00 0.00 C ATOM 970 O THR A 63 2.470 5.907 -4.789 1.00 0.00 O ATOM 971 CB THR A 63 5.165 8.040 -4.137 1.00 0.00 C ATOM 972 OG1 THR A 63 5.691 8.343 -5.426 1.00 0.00 O ATOM 973 CG2 THR A 63 6.362 8.207 -3.198 1.00 0.00 C ATOM 0 H THR A 63 6.692 6.330 -4.884 1.00 0.00 H new ATOM 0 HA THR A 63 4.360 6.259 -3.272 1.00 0.00 H new ATOM 0 HB THR A 63 4.336 8.652 -3.781 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.667 8.255 -5.410 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.645 9.259 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.093 7.860 -2.200 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.202 7.622 -3.572 1.00 0.00 H new ATOM 981 N THR A 64 3.734 6.782 -6.447 1.00 0.00 N ATOM 982 CA THR A 64 2.694 6.659 -7.455 1.00 0.00 C ATOM 983 C THR A 64 1.928 5.347 -7.274 1.00 0.00 C ATOM 984 O THR A 64 2.426 4.416 -6.643 1.00 0.00 O ATOM 985 CB THR A 64 3.351 6.794 -8.830 1.00 0.00 C ATOM 986 OG1 THR A 64 4.668 6.286 -8.638 1.00 0.00 O ATOM 987 CG2 THR A 64 3.570 8.254 -9.234 1.00 0.00 C ATOM 0 H THR A 64 4.609 7.183 -6.784 1.00 0.00 H new ATOM 0 HA THR A 64 1.950 7.449 -7.355 1.00 0.00 H new ATOM 0 HB THR A 64 2.731 6.299 -9.578 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.164 6.335 -9.482 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.039 8.293 -10.217 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.610 8.770 -9.269 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.217 8.740 -8.504 1.00 0.00 H new ATOM 995 N VAL A 65 0.730 5.316 -7.838 1.00 0.00 N ATOM 996 CA VAL A 65 -0.110 4.134 -7.746 1.00 0.00 C ATOM 997 C VAL A 65 0.500 3.014 -8.591 1.00 0.00 C ATOM 998 O VAL A 65 0.853 1.958 -8.067 1.00 0.00 O ATOM 999 CB VAL A 65 -1.544 4.478 -8.154 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.457 3.256 -8.033 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.083 5.649 -7.330 1.00 0.00 C ATOM 0 H VAL A 65 0.321 6.091 -8.361 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.156 3.777 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.530 4.783 -9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.470 3.528 -8.329 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.090 2.462 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.462 2.906 -7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.104 5.873 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.075 5.384 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.455 6.526 -7.489 1.00 0.00 H new ATOM 1011 N GLN A 66 0.605 3.282 -9.884 1.00 0.00 N ATOM 1012 CA GLN A 66 1.166 2.310 -10.807 1.00 0.00 C ATOM 1013 C GLN A 66 2.491 1.767 -10.265 1.00 0.00 C ATOM 1014 O GLN A 66 2.925 0.683 -10.651 1.00 0.00 O ATOM 1015 CB GLN A 66 1.350 2.917 -12.199 1.00 0.00 C ATOM 1016 CG GLN A 66 1.772 1.850 -13.211 1.00 0.00 C ATOM 1017 CD GLN A 66 0.610 1.483 -14.136 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.056 2.332 -14.706 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.404 0.174 -14.253 1.00 0.00 N ATOM 0 H GLN A 66 0.311 4.159 -10.315 1.00 0.00 H new ATOM 0 HA GLN A 66 0.466 1.480 -10.899 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.419 3.382 -12.523 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.103 3.704 -12.160 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.611 2.216 -13.803 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.118 0.960 -12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.999 -0.483 -13.748 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.349 -0.173 -14.848 1.00 0.00 H new ATOM 1028 N ALA A 67 3.095 2.546 -9.381 1.00 0.00 N ATOM 1029 CA ALA A 67 4.361 2.158 -8.783 1.00 0.00 C ATOM 1030 C ALA A 67 4.135 0.966 -7.850 1.00 0.00 C ATOM 1031 O ALA A 67 5.027 0.139 -7.667 1.00 0.00 O ATOM 1032 CB ALA A 67 4.973 3.358 -8.057 1.00 0.00 C ATOM 0 H ALA A 67 2.731 3.445 -9.064 1.00 0.00 H new ATOM 0 HA ALA A 67 5.069 1.847 -9.552 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.923 3.066 -7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.141 4.167 -8.768 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.292 3.697 -7.276 1.00 0.00 H new ATOM 1038 N ALA A 68 2.938 0.916 -7.286 1.00 0.00 N ATOM 1039 CA ALA A 68 2.583 -0.161 -6.377 1.00 0.00 C ATOM 1040 C ALA A 68 2.155 -1.386 -7.187 1.00 0.00 C ATOM 1041 O ALA A 68 1.734 -2.393 -6.620 1.00 0.00 O ATOM 1042 CB ALA A 68 1.489 0.318 -5.420 1.00 0.00 C ATOM 0 H ALA A 68 2.201 1.604 -7.441 1.00 0.00 H new ATOM 0 HA ALA A 68 3.441 -0.451 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.223 -0.490 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.854 1.171 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.610 0.615 -5.992 1.00 0.00 H new ATOM 1048 N ILE A 69 2.277 -1.259 -8.500 1.00 0.00 N ATOM 1049 CA ILE A 69 1.907 -2.344 -9.394 1.00 0.00 C ATOM 1050 C ILE A 69 3.171 -2.936 -10.020 1.00 0.00 C ATOM 1051 O ILE A 69 3.287 -4.153 -10.160 1.00 0.00 O ATOM 1052 CB ILE A 69 0.878 -1.865 -10.420 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.492 -1.664 -9.770 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.812 -2.819 -11.615 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.660 -0.225 -9.279 1.00 0.00 C ATOM 0 H ILE A 69 2.627 -0.422 -8.967 1.00 0.00 H new ATOM 0 HA ILE A 69 1.420 -3.146 -8.839 1.00 0.00 H new ATOM 0 HB ILE A 69 1.199 -0.895 -10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.277 -1.901 -10.488 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.606 -2.353 -8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.073 -2.456 -12.330 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.789 -2.868 -12.096 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.527 -3.813 -11.271 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.642 -0.109 -8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.112 0.001 -8.544 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.570 0.460 -10.122 1.00 0.00 H new ATOM 1067 N ASP A 70 4.086 -2.048 -10.380 1.00 0.00 N ATOM 1068 CA ASP A 70 5.338 -2.468 -10.988 1.00 0.00 C ATOM 1069 C ASP A 70 6.179 -3.214 -9.950 1.00 0.00 C ATOM 1070 O ASP A 70 6.954 -4.104 -10.298 1.00 0.00 O ATOM 1071 CB ASP A 70 6.146 -1.263 -11.474 1.00 0.00 C ATOM 1072 CG ASP A 70 6.677 -1.375 -12.904 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.115 -2.098 -13.740 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.730 -0.671 -13.151 1.00 0.00 O ATOM 0 H ASP A 70 3.986 -1.040 -10.263 1.00 0.00 H new ATOM 0 HA ASP A 70 5.102 -3.110 -11.837 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.521 -0.373 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.990 -1.114 -10.800 1.00 0.00 H new ATOM 1080 N TYR A 71 5.998 -2.824 -8.697 1.00 0.00 N ATOM 1081 CA TYR A 71 6.730 -3.444 -7.606 1.00 0.00 C ATOM 1082 C TYR A 71 6.093 -4.776 -7.206 1.00 0.00 C ATOM 1083 O TYR A 71 6.796 -5.745 -6.923 1.00 0.00 O ATOM 1084 CB TYR A 71 6.636 -2.473 -6.428 1.00 0.00 C ATOM 1085 CG TYR A 71 7.787 -2.596 -5.427 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.078 -2.309 -5.821 1.00 0.00 C ATOM 1087 CD2 TYR A 71 7.533 -2.993 -4.130 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.161 -2.425 -4.878 1.00 0.00 C ATOM 1089 CE2 TYR A 71 8.615 -3.109 -3.188 1.00 0.00 C ATOM 1090 CZ TYR A 71 9.876 -2.819 -3.608 1.00 0.00 C ATOM 1091 OH TYR A 71 10.898 -2.929 -2.718 1.00 0.00 O ATOM 0 H TYR A 71 5.354 -2.086 -8.413 1.00 0.00 H new ATOM 0 HA TYR A 71 7.760 -3.644 -7.901 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.610 -1.453 -6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.694 -2.641 -5.906 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.276 -1.998 -6.836 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.522 -3.217 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.176 -2.204 -5.173 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.430 -3.419 -2.170 1.00 0.00 H new ATOM 0 HH TYR A 71 11.451 -2.120 -2.753 1.00 0.00 H new ATOM 1101 N ILE A 72 4.768 -4.782 -7.194 1.00 0.00 N ATOM 1102 CA ILE A 72 4.028 -5.979 -6.832 1.00 0.00 C ATOM 1103 C ILE A 72 4.142 -7.005 -7.962 1.00 0.00 C ATOM 1104 O ILE A 72 4.182 -8.208 -7.710 1.00 0.00 O ATOM 1105 CB ILE A 72 2.585 -5.626 -6.466 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.542 -4.631 -5.305 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.770 -6.887 -6.171 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.115 -5.252 -4.029 1.00 0.00 C ATOM 0 H ILE A 72 4.188 -3.977 -7.429 1.00 0.00 H new ATOM 0 HA ILE A 72 4.456 -6.437 -5.940 1.00 0.00 H new ATOM 0 HB ILE A 72 2.124 -5.139 -7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.110 -3.738 -5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.514 -4.315 -5.130 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.748 -6.608 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.760 -7.528 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.220 -7.424 -5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.073 -4.524 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.530 -6.131 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.151 -5.544 -4.200 1.00 0.00 H new ATOM 1120 N ASN A 73 4.192 -6.491 -9.182 1.00 0.00 N ATOM 1121 CA ASN A 73 4.301 -7.347 -10.351 1.00 0.00 C ATOM 1122 C ASN A 73 5.463 -8.324 -10.155 1.00 0.00 C ATOM 1123 O ASN A 73 5.486 -9.395 -10.760 1.00 0.00 O ATOM 1124 CB ASN A 73 4.580 -6.526 -11.611 1.00 0.00 C ATOM 1125 CG ASN A 73 3.615 -6.903 -12.736 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.902 -7.732 -13.584 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.457 -6.250 -12.697 1.00 0.00 N ATOM 0 H ASN A 73 4.159 -5.492 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 73 3.357 -7.878 -10.470 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.484 -5.464 -11.386 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.607 -6.691 -11.937 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.745 -6.431 -13.405 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.281 -5.568 -11.959 1.00 0.00 H new ATOM 1134 N GLY A 74 6.398 -7.919 -9.309 1.00 0.00 N ATOM 1135 CA GLY A 74 7.560 -8.745 -9.027 1.00 0.00 C ATOM 1136 C GLY A 74 7.141 -10.113 -8.487 1.00 0.00 C ATOM 1137 O GLY A 74 7.943 -11.046 -8.459 1.00 0.00 O ATOM 0 H GLY A 74 6.375 -7.030 -8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.149 -8.873 -9.935 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.200 -8.244 -8.301 1.00 0.00 H new ATOM 1141 N HIS A 75 5.886 -10.191 -8.071 1.00 0.00 N ATOM 1142 CA HIS A 75 5.351 -11.431 -7.533 1.00 0.00 C ATOM 1143 C HIS A 75 4.953 -12.359 -8.682 1.00 0.00 C ATOM 1144 O HIS A 75 5.504 -13.449 -8.824 1.00 0.00 O ATOM 1145 CB HIS A 75 4.196 -11.151 -6.570 1.00 0.00 C ATOM 1146 CG HIS A 75 3.011 -12.069 -6.749 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.118 -13.449 -6.708 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.693 -11.792 -6.968 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.914 -13.968 -6.897 1.00 0.00 C ATOM 1150 NE2 HIS A 75 1.032 -12.939 -7.058 1.00 0.00 N ATOM 0 H HIS A 75 5.224 -9.416 -8.095 1.00 0.00 H new ATOM 0 HA HIS A 75 6.118 -11.940 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 75 4.560 -11.240 -5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.867 -10.120 -6.703 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.978 -13.976 -6.558 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.261 -10.806 -7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.673 -15.020 -6.920 1.00 0.00 H new ATOM 1158 N GLN A 76 3.998 -11.893 -9.474 1.00 0.00 N ATOM 1159 CA GLN A 76 3.519 -12.667 -10.606 1.00 0.00 C ATOM 1160 C GLN A 76 4.606 -12.768 -11.678 1.00 0.00 C ATOM 1161 O GLN A 76 4.799 -11.839 -12.460 1.00 0.00 O ATOM 1162 CB GLN A 76 2.236 -12.063 -11.181 1.00 0.00 C ATOM 1163 CG GLN A 76 1.038 -12.981 -10.930 1.00 0.00 C ATOM 1164 CD GLN A 76 -0.185 -12.176 -10.484 1.00 0.00 C ATOM 1165 OE1 GLN A 76 -0.916 -11.615 -11.283 1.00 0.00 O ATOM 1166 NE2 GLN A 76 -0.365 -12.152 -9.167 1.00 0.00 N ATOM 0 H GLN A 76 3.543 -10.988 -9.353 1.00 0.00 H new ATOM 0 HA GLN A 76 3.283 -13.673 -10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.053 -11.089 -10.728 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.355 -11.899 -12.252 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.802 -13.534 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.292 -13.716 -10.167 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.285 -12.644 -8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.154 -11.642 -8.769 1.00 0.00 H new