USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.41 K(o=-1.4,f=0.19) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= 1.69 K(o=1.7,f=-0.69) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -176:sc= 0.595 (180deg=0.582) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.726 K(o=-0.73,f=-1.8!) USER MOD Single : A 36 ASN : amide:sc= -0.0203 X(o=-0.02,f=-0.46) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0391) USER MOD Single : A 61 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 2 -6.904 -0.922 6.309 1.00 0.00 N ATOM 38 CA MET A 2 -6.173 -0.564 5.094 1.00 0.00 C ATOM 39 C MET A 2 -4.666 -0.609 5.303 1.00 0.00 C ATOM 40 O MET A 2 -3.983 -1.288 4.541 1.00 0.00 O ATOM 41 CB MET A 2 -6.641 0.792 4.557 1.00 0.00 C ATOM 42 CG MET A 2 -7.677 0.614 3.460 1.00 0.00 C ATOM 43 SD MET A 2 -8.552 2.129 2.982 1.00 0.00 S ATOM 44 CE MET A 2 -7.905 2.380 1.306 1.00 0.00 C ATOM 0 HA MET A 2 -6.400 -1.314 4.336 1.00 0.00 H new ATOM 0 HB2 MET A 2 -7.064 1.383 5.369 1.00 0.00 H new ATOM 0 HB3 MET A 2 -5.787 1.348 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 2 -7.185 0.203 2.579 1.00 0.00 H new ATOM 0 HG3 MET A 2 -8.410 -0.123 3.789 1.00 0.00 H new ATOM 0 HE1 MET A 2 -8.350 3.277 0.875 1.00 0.00 H new ATOM 0 HE2 MET A 2 -6.822 2.496 1.348 1.00 0.00 H new ATOM 0 HE3 MET A 2 -8.154 1.518 0.687 1.00 0.00 H new ATOM 54 N GLY A 3 -4.150 0.100 6.311 1.00 0.00 N ATOM 55 CA GLY A 3 -2.729 0.096 6.638 1.00 0.00 C ATOM 56 C GLY A 3 -2.228 -1.335 6.795 1.00 0.00 C ATOM 57 O GLY A 3 -1.238 -1.724 6.179 1.00 0.00 O ATOM 0 H GLY A 3 -4.711 0.693 6.922 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.167 0.602 5.853 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.559 0.652 7.560 1.00 0.00 H new ATOM 61 N GLU A 4 -2.975 -2.139 7.554 1.00 0.00 N ATOM 62 CA GLU A 4 -2.683 -3.549 7.746 1.00 0.00 C ATOM 63 C GLU A 4 -2.800 -4.341 6.450 1.00 0.00 C ATOM 64 O GLU A 4 -1.968 -5.208 6.231 1.00 0.00 O ATOM 65 CB GLU A 4 -3.613 -4.139 8.809 1.00 0.00 C ATOM 66 CG GLU A 4 -3.283 -3.636 10.216 1.00 0.00 C ATOM 67 CD GLU A 4 -1.863 -4.012 10.638 1.00 0.00 C ATOM 68 OE1 GLU A 4 -1.673 -5.154 11.111 1.00 0.00 O ATOM 69 OE2 GLU A 4 -0.962 -3.150 10.509 1.00 0.00 O ATOM 0 H GLU A 4 -3.805 -1.821 8.054 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.649 -3.625 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.645 -3.884 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.540 -5.226 8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.397 -2.552 10.250 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.996 -4.054 10.927 1.00 0.00 H new ATOM 76 N ARG A 5 -3.773 -4.066 5.574 1.00 0.00 N ATOM 77 CA ARG A 5 -3.857 -4.731 4.273 1.00 0.00 C ATOM 78 C ARG A 5 -2.583 -4.497 3.483 1.00 0.00 C ATOM 79 O ARG A 5 -2.027 -5.446 2.948 1.00 0.00 O ATOM 80 CB ARG A 5 -5.070 -4.247 3.455 1.00 0.00 C ATOM 81 CG ARG A 5 -6.178 -5.297 3.477 1.00 0.00 C ATOM 82 CD ARG A 5 -7.308 -4.990 2.492 1.00 0.00 C ATOM 83 NE ARG A 5 -8.075 -3.779 2.813 1.00 0.00 N ATOM 84 CZ ARG A 5 -8.877 -3.568 3.858 1.00 0.00 C ATOM 85 NH1 ARG A 5 -9.034 -4.478 4.802 1.00 0.00 N ATOM 86 NH2 ARG A 5 -9.544 -2.431 3.952 1.00 0.00 N ATOM 0 H ARG A 5 -4.514 -3.386 5.745 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.984 -5.797 4.461 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.442 -3.308 3.865 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -4.768 -4.049 2.427 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.752 -6.272 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -6.589 -5.364 4.484 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.885 -4.884 1.493 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.989 -5.840 2.462 1.00 0.00 H new ATOM 0 HE ARG A 5 -7.983 -3.004 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.536 -5.366 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -9.653 -4.293 5.591 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -9.444 -1.720 3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.159 -2.265 4.749 1.00 0.00 H new ATOM 100 N ILE A 6 -2.138 -3.246 3.380 1.00 0.00 N ATOM 101 CA ILE A 6 -0.958 -2.874 2.608 1.00 0.00 C ATOM 102 C ILE A 6 0.238 -3.630 3.188 1.00 0.00 C ATOM 103 O ILE A 6 0.934 -4.336 2.455 1.00 0.00 O ATOM 104 CB ILE A 6 -0.794 -1.336 2.622 1.00 0.00 C ATOM 105 CG1 ILE A 6 -2.022 -0.655 1.970 1.00 0.00 C ATOM 106 CG2 ILE A 6 0.484 -0.892 1.885 1.00 0.00 C ATOM 107 CD1 ILE A 6 -2.271 0.754 2.507 1.00 0.00 C ATOM 0 H ILE A 6 -2.593 -2.455 3.836 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.048 -3.154 1.558 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.714 -1.030 3.665 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.875 -0.607 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.907 -1.267 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.563 0.195 1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.355 -1.334 2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.439 -1.222 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.144 1.182 2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.447 0.708 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.400 1.378 2.309 1.00 0.00 H new ATOM 119 N ARG A 7 0.424 -3.538 4.507 1.00 0.00 N ATOM 120 CA ARG A 7 1.482 -4.223 5.233 1.00 0.00 C ATOM 121 C ARG A 7 1.447 -5.732 5.015 1.00 0.00 C ATOM 122 O ARG A 7 2.475 -6.326 4.689 1.00 0.00 O ATOM 123 CB ARG A 7 1.325 -3.832 6.713 1.00 0.00 C ATOM 124 CG ARG A 7 2.526 -4.189 7.590 1.00 0.00 C ATOM 125 CD ARG A 7 2.269 -5.522 8.299 1.00 0.00 C ATOM 126 NE ARG A 7 3.457 -5.974 9.025 1.00 0.00 N ATOM 127 CZ ARG A 7 3.588 -7.137 9.661 1.00 0.00 C ATOM 128 NH1 ARG A 7 2.546 -7.946 9.799 1.00 0.00 N ATOM 129 NH2 ARG A 7 4.764 -7.470 10.174 1.00 0.00 N ATOM 0 H ARG A 7 -0.174 -2.971 5.108 1.00 0.00 H new ATOM 0 HA ARG A 7 2.462 -3.919 4.865 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.151 -2.758 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.438 -4.323 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.426 -4.258 6.980 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.699 -3.403 8.325 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.435 -5.413 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.978 -6.276 7.567 1.00 0.00 H new ATOM 0 HE ARG A 7 4.257 -5.341 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.639 -7.679 9.417 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.652 -8.835 10.287 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.559 -6.838 10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.874 -8.358 10.663 1.00 0.00 H new ATOM 143 N ALA A 8 0.270 -6.343 5.124 1.00 0.00 N ATOM 144 CA ALA A 8 0.071 -7.775 4.982 1.00 0.00 C ATOM 145 C ALA A 8 0.447 -8.198 3.572 1.00 0.00 C ATOM 146 O ALA A 8 1.220 -9.141 3.419 1.00 0.00 O ATOM 147 CB ALA A 8 -1.375 -8.167 5.309 1.00 0.00 C ATOM 0 H ALA A 8 -0.594 -5.837 5.319 1.00 0.00 H new ATOM 0 HA ALA A 8 0.714 -8.295 5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.495 -9.244 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -1.605 -7.884 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.054 -7.652 4.629 1.00 0.00 H new ATOM 153 N ARG A 9 -0.039 -7.491 2.546 1.00 0.00 N ATOM 154 CA ARG A 9 0.239 -7.797 1.147 1.00 0.00 C ATOM 155 C ARG A 9 1.725 -7.622 0.856 1.00 0.00 C ATOM 156 O ARG A 9 2.285 -8.376 0.056 1.00 0.00 O ATOM 157 CB ARG A 9 -0.596 -6.871 0.243 1.00 0.00 C ATOM 158 CG ARG A 9 -1.347 -7.512 -0.933 1.00 0.00 C ATOM 159 CD ARG A 9 -0.575 -8.554 -1.730 1.00 0.00 C ATOM 160 NE ARG A 9 -1.040 -8.516 -3.116 1.00 0.00 N ATOM 161 CZ ARG A 9 -1.208 -9.577 -3.918 1.00 0.00 C ATOM 162 NH1 ARG A 9 -0.833 -10.782 -3.520 1.00 0.00 N ATOM 163 NH2 ARG A 9 -1.753 -9.448 -5.120 1.00 0.00 N ATOM 0 H ARG A 9 -0.645 -6.680 2.671 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.032 -8.833 0.944 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.327 -6.360 0.870 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.068 -6.107 -0.160 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.255 -7.977 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.659 -6.720 -1.614 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.495 -8.350 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.729 -9.546 -1.306 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.256 -7.599 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.414 -10.907 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.963 -11.586 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.052 -8.530 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.873 -10.267 -5.716 1.00 0.00 H new ATOM 177 N ARG A 10 2.382 -6.620 1.453 1.00 0.00 N ATOM 178 CA ARG A 10 3.809 -6.417 1.255 1.00 0.00 C ATOM 179 C ARG A 10 4.586 -7.606 1.799 1.00 0.00 C ATOM 180 O ARG A 10 5.410 -8.159 1.080 1.00 0.00 O ATOM 181 CB ARG A 10 4.302 -5.141 1.944 1.00 0.00 C ATOM 182 CG ARG A 10 5.600 -4.694 1.248 1.00 0.00 C ATOM 183 CD ARG A 10 6.062 -3.309 1.703 1.00 0.00 C ATOM 184 NE ARG A 10 5.743 -3.061 3.095 1.00 0.00 N ATOM 185 CZ ARG A 10 6.147 -3.730 4.177 1.00 0.00 C ATOM 186 NH1 ARG A 10 7.134 -4.627 4.166 1.00 0.00 N ATOM 187 NH2 ARG A 10 5.486 -3.506 5.286 1.00 0.00 N ATOM 0 H ARG A 10 1.942 -5.942 2.075 1.00 0.00 H new ATOM 0 HA ARG A 10 3.977 -6.317 0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 10 3.547 -4.358 1.880 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.482 -5.325 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.386 -5.421 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.445 -4.686 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.138 -3.219 1.556 1.00 0.00 H new ATOM 0 HD3 ARG A 10 5.591 -2.547 1.082 1.00 0.00 H new ATOM 0 HE ARG A 10 5.126 -2.268 3.272 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.626 -4.834 3.297 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.397 -5.106 5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 10 4.707 -2.848 5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.751 -3.990 6.144 1.00 0.00 H new ATOM 201 N ILE A 11 4.332 -7.988 3.051 1.00 0.00 N ATOM 202 CA ILE A 11 4.944 -9.132 3.718 1.00 0.00 C ATOM 203 C ILE A 11 4.569 -10.423 2.980 1.00 0.00 C ATOM 204 O ILE A 11 5.369 -11.354 2.929 1.00 0.00 O ATOM 205 CB ILE A 11 4.571 -9.117 5.218 1.00 0.00 C ATOM 206 CG1 ILE A 11 5.129 -7.864 5.946 1.00 0.00 C ATOM 207 CG2 ILE A 11 5.042 -10.373 5.972 1.00 0.00 C ATOM 208 CD1 ILE A 11 6.662 -7.752 6.009 1.00 0.00 C ATOM 0 H ILE A 11 3.671 -7.490 3.647 1.00 0.00 H new ATOM 0 HA ILE A 11 6.032 -9.074 3.680 1.00 0.00 H new ATOM 0 HB ILE A 11 3.481 -9.094 5.232 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.739 -6.975 5.450 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.741 -7.856 6.965 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.749 -10.300 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.584 -11.257 5.528 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.127 -10.453 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.939 -6.840 6.539 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.069 -8.615 6.536 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.066 -7.721 4.997 1.00 0.00 H new ATOM 220 N GLN A 12 3.373 -10.515 2.396 1.00 0.00 N ATOM 221 CA GLN A 12 2.977 -11.632 1.537 1.00 0.00 C ATOM 222 C GLN A 12 3.896 -11.766 0.323 1.00 0.00 C ATOM 223 O GLN A 12 4.245 -12.877 -0.066 1.00 0.00 O ATOM 224 CB GLN A 12 1.520 -11.481 1.086 1.00 0.00 C ATOM 225 CG GLN A 12 0.923 -12.839 0.717 1.00 0.00 C ATOM 226 CD GLN A 12 -0.405 -12.645 0.008 1.00 0.00 C ATOM 227 OE1 GLN A 12 -1.440 -12.441 0.634 1.00 0.00 O ATOM 228 NE2 GLN A 12 -0.409 -12.635 -1.313 1.00 0.00 N ATOM 0 H GLN A 12 2.645 -9.809 2.507 1.00 0.00 H new ATOM 0 HA GLN A 12 3.070 -12.543 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.933 -11.025 1.883 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.468 -10.810 0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.612 -13.386 0.073 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.781 -13.440 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.455 -12.805 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.277 -12.457 -1.819 1.00 0.00 H new ATOM 237 N LEU A 13 4.351 -10.642 -0.226 1.00 0.00 N ATOM 238 CA LEU A 13 5.373 -10.584 -1.268 1.00 0.00 C ATOM 239 C LEU A 13 6.789 -10.626 -0.665 1.00 0.00 C ATOM 240 O LEU A 13 7.774 -10.741 -1.393 1.00 0.00 O ATOM 241 CB LEU A 13 5.108 -9.321 -2.112 1.00 0.00 C ATOM 242 CG LEU A 13 6.001 -9.131 -3.351 1.00 0.00 C ATOM 243 CD1 LEU A 13 5.900 -10.312 -4.312 1.00 0.00 C ATOM 244 CD2 LEU A 13 5.598 -7.851 -4.099 1.00 0.00 C ATOM 0 H LEU A 13 4.009 -9.721 0.049 1.00 0.00 H new ATOM 0 HA LEU A 13 5.317 -11.458 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.068 -9.339 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.225 -8.449 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 13 7.030 -9.058 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.546 -10.137 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.213 -11.223 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.869 -10.420 -4.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.235 -7.725 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.558 -7.927 -4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.714 -6.992 -3.439 1.00 0.00 H new ATOM 256 N GLY A 14 6.907 -10.557 0.661 1.00 0.00 N ATOM 257 CA GLY A 14 8.138 -10.531 1.434 1.00 0.00 C ATOM 258 C GLY A 14 8.962 -9.268 1.204 1.00 0.00 C ATOM 259 O GLY A 14 10.155 -9.270 1.502 1.00 0.00 O ATOM 0 H GLY A 14 6.083 -10.515 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.896 -10.612 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.740 -11.402 1.177 1.00 0.00 H new ATOM 263 N LEU A 15 8.391 -8.218 0.604 1.00 0.00 N ATOM 264 CA LEU A 15 9.195 -7.082 0.166 1.00 0.00 C ATOM 265 C LEU A 15 9.362 -6.147 1.369 1.00 0.00 C ATOM 266 O LEU A 15 8.541 -6.146 2.288 1.00 0.00 O ATOM 267 CB LEU A 15 8.470 -6.342 -0.980 1.00 0.00 C ATOM 268 CG LEU A 15 9.008 -6.605 -2.404 1.00 0.00 C ATOM 269 CD1 LEU A 15 8.490 -5.520 -3.357 1.00 0.00 C ATOM 270 CD2 LEU A 15 10.525 -6.761 -2.538 1.00 0.00 C ATOM 0 H LEU A 15 7.392 -8.135 0.415 1.00 0.00 H new ATOM 0 HA LEU A 15 10.167 -7.413 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.416 -6.618 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.523 -5.271 -0.785 1.00 0.00 H new ATOM 0 HG LEU A 15 8.621 -7.588 -2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.870 -5.706 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.400 -5.539 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.831 -4.543 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.781 -6.941 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.016 -5.850 -2.196 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.859 -7.603 -1.932 1.00 0.00 H new ATOM 282 N ASN A 16 10.327 -5.228 1.306 1.00 0.00 N ATOM 283 CA ASN A 16 10.461 -4.164 2.308 1.00 0.00 C ATOM 284 C ASN A 16 9.680 -2.945 1.847 1.00 0.00 C ATOM 285 O ASN A 16 9.351 -2.839 0.662 1.00 0.00 O ATOM 286 CB ASN A 16 11.924 -3.769 2.540 1.00 0.00 C ATOM 287 CG ASN A 16 12.741 -4.923 3.101 1.00 0.00 C ATOM 288 OD1 ASN A 16 12.624 -5.223 4.284 1.00 0.00 O ATOM 289 ND2 ASN A 16 13.551 -5.607 2.311 1.00 0.00 N ATOM 0 H ASN A 16 11.031 -5.198 0.569 1.00 0.00 H new ATOM 0 HA ASN A 16 10.067 -4.542 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 16 12.364 -3.436 1.600 1.00 0.00 H new ATOM 0 HB3 ASN A 16 11.967 -2.925 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.085 -6.392 2.684 1.00 0.00 H new ATOM 0 HD22 ASN A 16 13.642 -5.350 1.328 1.00 0.00 H new ATOM 296 N GLN A 17 9.438 -1.986 2.746 1.00 0.00 N ATOM 297 CA GLN A 17 8.775 -0.729 2.411 1.00 0.00 C ATOM 298 C GLN A 17 9.487 -0.038 1.255 1.00 0.00 C ATOM 299 O GLN A 17 8.831 0.433 0.334 1.00 0.00 O ATOM 300 CB GLN A 17 8.756 0.197 3.631 1.00 0.00 C ATOM 301 CG GLN A 17 7.949 -0.411 4.779 1.00 0.00 C ATOM 302 CD GLN A 17 7.866 0.522 5.977 1.00 0.00 C ATOM 303 OE1 GLN A 17 8.770 1.314 6.254 1.00 0.00 O ATOM 304 NE2 GLN A 17 6.777 0.428 6.700 1.00 0.00 N ATOM 0 H GLN A 17 9.699 -2.063 3.729 1.00 0.00 H new ATOM 0 HA GLN A 17 7.751 -0.951 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.777 0.386 3.962 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.327 1.160 3.353 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.943 -0.643 4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.406 -1.352 5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.049 -0.238 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.657 1.021 7.521 1.00 0.00 H new ATOM 313 N ALA A 18 10.821 -0.011 1.293 1.00 0.00 N ATOM 314 CA ALA A 18 11.649 0.647 0.300 1.00 0.00 C ATOM 315 C ALA A 18 11.447 0.051 -1.087 1.00 0.00 C ATOM 316 O ALA A 18 11.413 0.781 -2.076 1.00 0.00 O ATOM 317 CB ALA A 18 13.113 0.523 0.733 1.00 0.00 C ATOM 0 H ALA A 18 11.360 -0.458 2.034 1.00 0.00 H new ATOM 0 HA ALA A 18 11.363 1.697 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 18 13.752 1.012 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.247 0.999 1.704 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.383 -0.531 0.805 1.00 0.00 H new ATOM 323 N GLU A 19 11.312 -1.267 -1.150 1.00 0.00 N ATOM 324 CA GLU A 19 11.173 -1.990 -2.392 1.00 0.00 C ATOM 325 C GLU A 19 9.762 -1.816 -2.937 1.00 0.00 C ATOM 326 O GLU A 19 9.603 -1.481 -4.107 1.00 0.00 O ATOM 327 CB GLU A 19 11.464 -3.459 -2.108 1.00 0.00 C ATOM 328 CG GLU A 19 12.858 -3.699 -1.511 1.00 0.00 C ATOM 329 CD GLU A 19 13.855 -4.098 -2.593 1.00 0.00 C ATOM 330 OE1 GLU A 19 14.459 -3.197 -3.223 1.00 0.00 O ATOM 331 OE2 GLU A 19 14.046 -5.313 -2.808 1.00 0.00 O ATOM 0 H GLU A 19 11.297 -1.866 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 19 11.868 -1.611 -3.141 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.711 -3.845 -1.421 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.371 -4.026 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.203 -2.795 -1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.804 -4.482 -0.755 1.00 0.00 H new ATOM 338 N LEU A 20 8.730 -1.995 -2.093 1.00 0.00 N ATOM 339 CA LEU A 20 7.356 -1.747 -2.517 1.00 0.00 C ATOM 340 C LEU A 20 7.255 -0.331 -3.050 1.00 0.00 C ATOM 341 O LEU A 20 6.696 -0.134 -4.122 1.00 0.00 O ATOM 342 CB LEU A 20 6.338 -1.967 -1.387 1.00 0.00 C ATOM 343 CG LEU A 20 4.884 -1.619 -1.804 1.00 0.00 C ATOM 344 CD1 LEU A 20 4.374 -2.521 -2.932 1.00 0.00 C ATOM 345 CD2 LEU A 20 3.896 -1.733 -0.642 1.00 0.00 C ATOM 0 H LEU A 20 8.827 -2.307 -1.127 1.00 0.00 H new ATOM 0 HA LEU A 20 7.110 -2.466 -3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.379 -3.008 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.619 -1.358 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 20 4.933 -0.585 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.353 -2.240 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.014 -2.406 -3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.392 -3.560 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.895 -1.479 -0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.899 -2.754 -0.260 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.189 -1.048 0.153 1.00 0.00 H new ATOM 357 N ALA A 21 7.818 0.630 -2.320 1.00 0.00 N ATOM 358 CA ALA A 21 7.826 2.021 -2.697 1.00 0.00 C ATOM 359 C ALA A 21 8.340 2.185 -4.117 1.00 0.00 C ATOM 360 O ALA A 21 7.604 2.663 -4.980 1.00 0.00 O ATOM 361 CB ALA A 21 8.669 2.816 -1.711 1.00 0.00 C ATOM 0 H ALA A 21 8.288 0.448 -1.433 1.00 0.00 H new ATOM 0 HA ALA A 21 6.807 2.406 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.672 3.867 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.249 2.716 -0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.690 2.435 -1.716 1.00 0.00 H new ATOM 367 N GLN A 22 9.572 1.743 -4.370 1.00 0.00 N ATOM 368 CA GLN A 22 10.198 1.883 -5.676 1.00 0.00 C ATOM 369 C GLN A 22 9.392 1.187 -6.770 1.00 0.00 C ATOM 370 O GLN A 22 9.229 1.747 -7.853 1.00 0.00 O ATOM 371 CB GLN A 22 11.629 1.344 -5.623 1.00 0.00 C ATOM 372 CG GLN A 22 12.538 2.310 -4.857 1.00 0.00 C ATOM 373 CD GLN A 22 13.931 1.727 -4.691 1.00 0.00 C ATOM 374 OE1 GLN A 22 14.291 1.225 -3.628 1.00 0.00 O ATOM 375 NE2 GLN A 22 14.748 1.771 -5.725 1.00 0.00 N ATOM 0 H GLN A 22 10.159 1.280 -3.676 1.00 0.00 H new ATOM 0 HA GLN A 22 10.225 2.943 -5.929 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.638 0.367 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.009 1.203 -6.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.598 3.259 -5.390 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.108 2.521 -3.878 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.439 2.190 -6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.689 1.386 -5.648 1.00 0.00 H new ATOM 384 N LYS A 23 8.897 -0.029 -6.526 1.00 0.00 N ATOM 385 CA LYS A 23 8.132 -0.802 -7.503 1.00 0.00 C ATOM 386 C LYS A 23 6.682 -0.293 -7.655 1.00 0.00 C ATOM 387 O LYS A 23 5.943 -0.817 -8.491 1.00 0.00 O ATOM 388 CB LYS A 23 8.408 -2.313 -7.261 1.00 0.00 C ATOM 389 CG LYS A 23 7.259 -3.319 -7.286 1.00 0.00 C ATOM 390 CD LYS A 23 6.366 -3.189 -6.049 1.00 0.00 C ATOM 391 CE LYS A 23 4.969 -3.725 -6.346 1.00 0.00 C ATOM 392 NZ LYS A 23 4.916 -5.197 -6.472 1.00 0.00 N ATOM 0 H LYS A 23 9.018 -0.508 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 23 8.468 -0.642 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.133 -2.633 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.893 -2.401 -6.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.661 -3.166 -8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.662 -4.330 -7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.804 -3.739 -5.216 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.305 -2.144 -5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.292 -3.412 -5.551 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.605 -3.276 -7.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.954 -5.488 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.588 -5.507 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.168 -5.633 -5.562 1.00 0.00 H new ATOM 406 N VAL A 24 6.243 0.700 -6.870 1.00 0.00 N ATOM 407 CA VAL A 24 5.030 1.481 -7.120 1.00 0.00 C ATOM 408 C VAL A 24 5.399 2.804 -7.818 1.00 0.00 C ATOM 409 O VAL A 24 4.628 3.266 -8.662 1.00 0.00 O ATOM 410 CB VAL A 24 4.276 1.761 -5.798 1.00 0.00 C ATOM 411 CG1 VAL A 24 2.977 2.549 -6.026 1.00 0.00 C ATOM 412 CG2 VAL A 24 3.885 0.503 -4.997 1.00 0.00 C ATOM 0 H VAL A 24 6.735 0.987 -6.024 1.00 0.00 H new ATOM 0 HA VAL A 24 4.370 0.906 -7.770 1.00 0.00 H new ATOM 0 HB VAL A 24 5.003 2.336 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.483 2.721 -5.070 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.209 3.507 -6.492 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.315 1.979 -6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.362 0.799 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.233 -0.126 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.784 -0.054 -4.733 1.00 0.00 H new ATOM 422 N GLY A 25 6.527 3.424 -7.451 1.00 0.00 N ATOM 423 CA GLY A 25 6.967 4.748 -7.882 1.00 0.00 C ATOM 424 C GLY A 25 7.033 5.777 -6.744 1.00 0.00 C ATOM 425 O GLY A 25 7.281 6.962 -6.990 1.00 0.00 O ATOM 0 H GLY A 25 7.190 2.988 -6.810 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.952 4.662 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.288 5.114 -8.652 1.00 0.00 H new ATOM 429 N VAL A 26 6.767 5.381 -5.500 1.00 0.00 N ATOM 430 CA VAL A 26 6.637 6.249 -4.342 1.00 0.00 C ATOM 431 C VAL A 26 7.903 6.170 -3.478 1.00 0.00 C ATOM 432 O VAL A 26 8.866 5.485 -3.832 1.00 0.00 O ATOM 433 CB VAL A 26 5.328 5.895 -3.608 1.00 0.00 C ATOM 434 CG1 VAL A 26 4.123 5.930 -4.558 1.00 0.00 C ATOM 435 CG2 VAL A 26 5.321 4.542 -2.896 1.00 0.00 C ATOM 0 H VAL A 26 6.631 4.398 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 26 6.559 7.297 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 26 5.256 6.666 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.218 5.675 -4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.022 6.930 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.273 5.210 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.356 4.390 -2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.491 3.748 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.111 4.522 -2.145 1.00 0.00 H new ATOM 445 N ASP A 27 7.927 6.902 -2.369 1.00 0.00 N ATOM 446 CA ASP A 27 8.980 6.924 -1.374 1.00 0.00 C ATOM 447 C ASP A 27 8.714 5.787 -0.387 1.00 0.00 C ATOM 448 O ASP A 27 7.565 5.407 -0.151 1.00 0.00 O ATOM 449 CB ASP A 27 8.971 8.230 -0.548 1.00 0.00 C ATOM 450 CG ASP A 27 7.724 9.119 -0.562 1.00 0.00 C ATOM 451 OD1 ASP A 27 7.125 9.375 -1.630 1.00 0.00 O ATOM 452 OD2 ASP A 27 7.325 9.567 0.531 1.00 0.00 O ATOM 0 H ASP A 27 7.162 7.533 -2.131 1.00 0.00 H new ATOM 0 HA ASP A 27 9.934 6.833 -1.893 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.170 7.962 0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.810 8.838 -0.887 1.00 0.00 H new ATOM 457 N GLN A 28 9.766 5.300 0.274 1.00 0.00 N ATOM 458 CA GLN A 28 9.655 4.361 1.388 1.00 0.00 C ATOM 459 C GLN A 28 8.761 4.953 2.476 1.00 0.00 C ATOM 460 O GLN A 28 7.903 4.258 3.021 1.00 0.00 O ATOM 461 CB GLN A 28 11.063 4.107 1.925 1.00 0.00 C ATOM 462 CG GLN A 28 11.135 3.121 3.091 1.00 0.00 C ATOM 463 CD GLN A 28 12.436 3.353 3.835 1.00 0.00 C ATOM 464 OE1 GLN A 28 13.526 3.100 3.319 1.00 0.00 O ATOM 465 NE2 GLN A 28 12.345 3.920 5.017 1.00 0.00 N ATOM 0 H GLN A 28 10.728 5.550 0.047 1.00 0.00 H new ATOM 0 HA GLN A 28 9.207 3.423 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.685 3.733 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.492 5.057 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.286 3.262 3.760 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.086 2.096 2.724 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.428 4.117 5.419 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.191 4.163 5.533 1.00 0.00 H new ATOM 474 N GLN A 29 8.966 6.236 2.774 1.00 0.00 N ATOM 475 CA GLN A 29 8.205 6.965 3.768 1.00 0.00 C ATOM 476 C GLN A 29 6.705 6.885 3.436 1.00 0.00 C ATOM 477 O GLN A 29 5.893 6.675 4.335 1.00 0.00 O ATOM 478 CB GLN A 29 8.708 8.417 3.832 1.00 0.00 C ATOM 479 CG GLN A 29 8.224 9.181 5.074 1.00 0.00 C ATOM 480 CD GLN A 29 9.071 8.889 6.310 1.00 0.00 C ATOM 481 OE1 GLN A 29 8.764 7.998 7.106 1.00 0.00 O ATOM 482 NE2 GLN A 29 10.162 9.617 6.498 1.00 0.00 N ATOM 0 H GLN A 29 9.682 6.802 2.318 1.00 0.00 H new ATOM 0 HA GLN A 29 8.345 6.520 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.798 8.416 3.818 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.378 8.947 2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.245 10.251 4.869 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.187 8.916 5.278 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.406 10.351 5.833 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.758 9.443 7.307 1.00 0.00 H new ATOM 491 N ALA A 30 6.328 7.059 2.161 1.00 0.00 N ATOM 492 CA ALA A 30 4.944 6.965 1.717 1.00 0.00 C ATOM 493 C ALA A 30 4.318 5.602 2.013 1.00 0.00 C ATOM 494 O ALA A 30 3.124 5.560 2.301 1.00 0.00 O ATOM 495 CB ALA A 30 4.799 7.309 0.231 1.00 0.00 C ATOM 0 H ALA A 30 6.985 7.270 1.410 1.00 0.00 H new ATOM 0 HA ALA A 30 4.395 7.707 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.752 7.227 -0.061 1.00 0.00 H new ATOM 0 HB2 ALA A 30 5.145 8.328 0.058 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.396 6.617 -0.363 1.00 0.00 H new ATOM 501 N ILE A 31 5.078 4.502 1.973 1.00 0.00 N ATOM 502 CA ILE A 31 4.569 3.199 2.393 1.00 0.00 C ATOM 503 C ILE A 31 4.405 3.188 3.914 1.00 0.00 C ATOM 504 O ILE A 31 3.352 2.787 4.398 1.00 0.00 O ATOM 505 CB ILE A 31 5.487 2.066 1.886 1.00 0.00 C ATOM 506 CG1 ILE A 31 5.648 2.082 0.353 1.00 0.00 C ATOM 507 CG2 ILE A 31 5.010 0.682 2.350 1.00 0.00 C ATOM 508 CD1 ILE A 31 4.354 2.085 -0.474 1.00 0.00 C ATOM 0 H ILE A 31 6.047 4.492 1.654 1.00 0.00 H new ATOM 0 HA ILE A 31 3.589 3.022 1.950 1.00 0.00 H new ATOM 0 HB ILE A 31 6.464 2.257 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.229 2.963 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.236 1.211 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.687 -0.083 1.969 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.999 0.647 3.439 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.005 0.498 1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.601 2.097 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.774 1.190 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.767 2.970 -0.228 1.00 0.00 H new ATOM 520 N GLU A 32 5.400 3.653 4.669 1.00 0.00 N ATOM 521 CA GLU A 32 5.377 3.647 6.131 1.00 0.00 C ATOM 522 C GLU A 32 4.155 4.393 6.664 1.00 0.00 C ATOM 523 O GLU A 32 3.413 3.862 7.487 1.00 0.00 O ATOM 524 CB GLU A 32 6.698 4.237 6.642 1.00 0.00 C ATOM 525 CG GLU A 32 6.732 4.674 8.114 1.00 0.00 C ATOM 526 CD GLU A 32 6.503 3.571 9.150 1.00 0.00 C ATOM 527 OE1 GLU A 32 6.667 2.362 8.857 1.00 0.00 O ATOM 528 OE2 GLU A 32 6.283 3.948 10.328 1.00 0.00 O ATOM 0 H GLU A 32 6.255 4.049 4.278 1.00 0.00 H new ATOM 0 HA GLU A 32 5.288 2.626 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.484 3.497 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.947 5.100 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.699 5.135 8.312 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.975 5.445 8.261 1.00 0.00 H new ATOM 535 N GLN A 33 3.918 5.617 6.196 1.00 0.00 N ATOM 536 CA GLN A 33 2.756 6.392 6.614 1.00 0.00 C ATOM 537 C GLN A 33 1.450 5.701 6.210 1.00 0.00 C ATOM 538 O GLN A 33 0.449 5.778 6.917 1.00 0.00 O ATOM 539 CB GLN A 33 2.858 7.825 6.091 1.00 0.00 C ATOM 540 CG GLN A 33 2.770 7.917 4.566 1.00 0.00 C ATOM 541 CD GLN A 33 3.259 9.272 4.045 1.00 0.00 C ATOM 542 OE1 GLN A 33 4.142 9.897 4.621 1.00 0.00 O ATOM 543 NE2 GLN A 33 2.721 9.798 2.962 1.00 0.00 N ATOM 0 H GLN A 33 4.520 6.093 5.524 1.00 0.00 H new ATOM 0 HA GLN A 33 2.742 6.447 7.703 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.060 8.423 6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.802 8.259 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.365 7.120 4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.738 7.758 4.252 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.984 9.298 2.464 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.042 10.705 2.622 1.00 0.00 H new ATOM 552 N LEU A 34 1.417 5.010 5.078 1.00 0.00 N ATOM 553 CA LEU A 34 0.217 4.338 4.631 1.00 0.00 C ATOM 554 C LEU A 34 -0.098 3.176 5.550 1.00 0.00 C ATOM 555 O LEU A 34 -1.242 3.015 5.976 1.00 0.00 O ATOM 556 CB LEU A 34 0.454 3.835 3.208 1.00 0.00 C ATOM 557 CG LEU A 34 -0.262 4.755 2.231 1.00 0.00 C ATOM 558 CD1 LEU A 34 0.254 4.462 0.828 1.00 0.00 C ATOM 559 CD2 LEU A 34 -1.775 4.561 2.222 1.00 0.00 C ATOM 0 H LEU A 34 2.216 4.904 4.453 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.629 5.026 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.522 3.812 2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.085 2.815 3.103 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.060 5.779 2.546 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.248 5.113 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.328 4.642 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.052 3.421 0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.225 5.247 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.009 3.535 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.174 4.763 3.216 1.00 0.00 H new ATOM 571 N GLU A 35 0.928 2.391 5.848 1.00 0.00 N ATOM 572 CA GLU A 35 0.856 1.221 6.710 1.00 0.00 C ATOM 573 C GLU A 35 0.532 1.630 8.148 1.00 0.00 C ATOM 574 O GLU A 35 -0.167 0.894 8.846 1.00 0.00 O ATOM 575 CB GLU A 35 2.160 0.419 6.599 1.00 0.00 C ATOM 576 CG GLU A 35 2.216 -0.251 5.215 1.00 0.00 C ATOM 577 CD GLU A 35 3.490 -1.045 4.940 1.00 0.00 C ATOM 578 OE1 GLU A 35 4.492 -0.975 5.689 1.00 0.00 O ATOM 579 OE2 GLU A 35 3.498 -1.801 3.947 1.00 0.00 O ATOM 0 H GLU A 35 1.866 2.558 5.483 1.00 0.00 H new ATOM 0 HA GLU A 35 0.043 0.572 6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.019 1.076 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.207 -0.335 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.360 -0.918 5.115 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.112 0.518 4.450 1.00 0.00 H new ATOM 586 N ASN A 36 0.951 2.830 8.560 1.00 0.00 N ATOM 587 CA ASN A 36 0.621 3.464 9.825 1.00 0.00 C ATOM 588 C ASN A 36 -0.849 3.851 9.920 1.00 0.00 C ATOM 589 O ASN A 36 -1.301 4.155 11.026 1.00 0.00 O ATOM 590 CB ASN A 36 1.438 4.763 9.955 1.00 0.00 C ATOM 591 CG ASN A 36 2.662 4.626 10.834 1.00 0.00 C ATOM 592 OD1 ASN A 36 2.619 3.986 11.883 1.00 0.00 O ATOM 593 ND2 ASN A 36 3.743 5.278 10.457 1.00 0.00 N ATOM 0 H ASN A 36 1.561 3.410 7.984 1.00 0.00 H new ATOM 0 HA ASN A 36 0.847 2.745 10.612 1.00 0.00 H new ATOM 0 HB2 ASN A 36 1.749 5.087 8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.797 5.546 10.360 1.00 0.00 H new ATOM 0 HD21 ASN A 36 4.578 5.262 11.042 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.744 5.799 9.580 1.00 0.00 H new ATOM 600 N GLY A 37 -1.566 3.935 8.793 1.00 0.00 N ATOM 601 CA GLY A 37 -2.901 4.507 8.749 1.00 0.00 C ATOM 602 C GLY A 37 -2.877 6.036 8.709 1.00 0.00 C ATOM 603 O GLY A 37 -3.903 6.659 8.991 1.00 0.00 O ATOM 0 H GLY A 37 -1.229 3.605 7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.426 4.131 7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.464 4.177 9.622 1.00 0.00 H new ATOM 607 N LYS A 38 -1.746 6.674 8.378 1.00 0.00 N ATOM 608 CA LYS A 38 -1.664 8.122 8.268 1.00 0.00 C ATOM 609 C LYS A 38 -2.361 8.543 6.976 1.00 0.00 C ATOM 610 O LYS A 38 -3.235 9.414 7.032 1.00 0.00 O ATOM 611 CB LYS A 38 -0.199 8.592 8.297 1.00 0.00 C ATOM 612 CG LYS A 38 0.252 9.204 9.628 1.00 0.00 C ATOM 613 CD LYS A 38 1.373 10.224 9.435 1.00 0.00 C ATOM 614 CE LYS A 38 0.813 11.583 8.988 1.00 0.00 C ATOM 615 NZ LYS A 38 1.875 12.593 8.821 1.00 0.00 N ATOM 0 H LYS A 38 -0.868 6.194 8.181 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.161 8.591 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.445 7.743 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.052 9.328 7.506 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.597 9.685 10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.593 8.412 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.925 10.343 10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.080 9.856 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.277 11.462 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.090 11.936 9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.453 13.494 8.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.370 12.729 9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.552 12.269 8.101 1.00 0.00 H new ATOM 629 N ALA A 39 -2.007 7.980 5.809 1.00 0.00 N ATOM 630 CA ALA A 39 -2.770 8.243 4.598 1.00 0.00 C ATOM 631 C ALA A 39 -3.947 7.275 4.581 1.00 0.00 C ATOM 632 O ALA A 39 -3.728 6.062 4.603 1.00 0.00 O ATOM 633 CB ALA A 39 -1.877 8.051 3.373 1.00 0.00 C ATOM 0 H ALA A 39 -1.212 7.353 5.688 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.137 9.269 4.577 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.452 8.249 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.034 8.741 3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.506 7.026 3.350 1.00 0.00 H new ATOM 639 N LYS A 40 -5.183 7.780 4.563 1.00 0.00 N ATOM 640 CA LYS A 40 -6.353 6.934 4.339 1.00 0.00 C ATOM 641 C LYS A 40 -6.423 6.635 2.843 1.00 0.00 C ATOM 642 O LYS A 40 -6.146 5.513 2.432 1.00 0.00 O ATOM 643 CB LYS A 40 -7.633 7.577 4.913 1.00 0.00 C ATOM 644 CG LYS A 40 -8.732 6.553 5.256 1.00 0.00 C ATOM 645 CD LYS A 40 -9.155 5.623 4.108 1.00 0.00 C ATOM 646 CE LYS A 40 -10.325 4.713 4.494 1.00 0.00 C ATOM 647 NZ LYS A 40 -11.593 5.452 4.658 1.00 0.00 N ATOM 0 H LYS A 40 -5.397 8.768 4.701 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.265 5.989 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.377 8.139 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.026 8.293 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.385 5.940 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.612 7.094 5.604 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.435 6.223 3.242 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.305 5.010 3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.452 3.947 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.087 4.197 5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.374 4.777 4.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.530 6.069 5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.769 6.031 3.812 1.00 0.00 H new ATOM 661 N ARG A 41 -6.789 7.620 2.019 1.00 0.00 N ATOM 662 CA ARG A 41 -6.824 7.524 0.564 1.00 0.00 C ATOM 663 C ARG A 41 -5.583 8.263 0.053 1.00 0.00 C ATOM 664 O ARG A 41 -5.602 9.498 0.046 1.00 0.00 O ATOM 665 CB ARG A 41 -8.127 8.115 -0.036 1.00 0.00 C ATOM 666 CG ARG A 41 -9.223 8.587 0.942 1.00 0.00 C ATOM 667 CD ARG A 41 -10.299 9.422 0.234 1.00 0.00 C ATOM 668 NE ARG A 41 -9.782 10.718 -0.243 1.00 0.00 N ATOM 669 CZ ARG A 41 -9.542 11.803 0.501 1.00 0.00 C ATOM 670 NH1 ARG A 41 -9.834 11.824 1.795 1.00 0.00 N ATOM 671 NH2 ARG A 41 -8.997 12.875 -0.047 1.00 0.00 N ATOM 0 H ARG A 41 -7.078 8.536 2.362 1.00 0.00 H new ATOM 0 HA ARG A 41 -6.817 6.480 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.852 8.962 -0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.565 7.362 -0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.687 7.721 1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.770 9.178 1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.695 8.859 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.129 9.595 0.918 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.588 10.795 -1.241 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.248 11.004 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.644 12.660 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.759 12.876 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.815 13.702 0.522 1.00 0.00 H new ATOM 685 N PRO A 42 -4.487 7.585 -0.321 1.00 0.00 N ATOM 686 CA PRO A 42 -3.354 8.260 -0.937 1.00 0.00 C ATOM 687 C PRO A 42 -3.739 8.697 -2.356 1.00 0.00 C ATOM 688 O PRO A 42 -4.590 8.074 -2.998 1.00 0.00 O ATOM 689 CB PRO A 42 -2.223 7.228 -0.933 1.00 0.00 C ATOM 690 CG PRO A 42 -2.970 5.899 -1.038 1.00 0.00 C ATOM 691 CD PRO A 42 -4.269 6.149 -0.269 1.00 0.00 C ATOM 0 HA PRO A 42 -3.046 9.162 -0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.540 7.374 -1.770 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.627 7.285 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.165 5.631 -2.076 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.397 5.082 -0.600 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.102 5.610 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.187 5.803 0.761 1.00 0.00 H new ATOM 699 N ARG A 43 -3.088 9.727 -2.897 1.00 0.00 N ATOM 700 CA ARG A 43 -3.320 10.169 -4.277 1.00 0.00 C ATOM 701 C ARG A 43 -2.998 9.063 -5.280 1.00 0.00 C ATOM 702 O ARG A 43 -3.723 8.889 -6.260 1.00 0.00 O ATOM 703 CB ARG A 43 -2.547 11.469 -4.562 1.00 0.00 C ATOM 704 CG ARG A 43 -1.015 11.347 -4.455 1.00 0.00 C ATOM 705 CD ARG A 43 -0.385 12.739 -4.386 1.00 0.00 C ATOM 706 NE ARG A 43 1.059 12.686 -4.121 1.00 0.00 N ATOM 707 CZ ARG A 43 2.043 12.480 -5.004 1.00 0.00 C ATOM 708 NH1 ARG A 43 1.789 12.235 -6.284 1.00 0.00 N ATOM 709 NH2 ARG A 43 3.297 12.533 -4.588 1.00 0.00 N ATOM 0 H ARG A 43 -2.389 10.277 -2.397 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.381 10.389 -4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.801 11.814 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.886 12.236 -3.866 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.748 10.773 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.624 10.804 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.560 13.262 -5.326 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.875 13.318 -3.603 1.00 0.00 H new ATOM 0 HE ARG A 43 1.345 12.822 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.825 12.200 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.558 12.082 -6.936 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.501 12.728 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.060 12.378 -5.247 1.00 0.00 H new ATOM 723 N PHE A 44 -1.951 8.285 -5.018 1.00 0.00 N ATOM 724 CA PHE A 44 -1.486 7.188 -5.855 1.00 0.00 C ATOM 725 C PHE A 44 -2.218 5.869 -5.550 1.00 0.00 C ATOM 726 O PHE A 44 -1.715 4.813 -5.911 1.00 0.00 O ATOM 727 CB PHE A 44 0.039 7.058 -5.687 1.00 0.00 C ATOM 728 CG PHE A 44 0.502 6.879 -4.259 1.00 0.00 C ATOM 729 CD1 PHE A 44 0.481 5.604 -3.675 1.00 0.00 C ATOM 730 CD2 PHE A 44 0.970 7.978 -3.521 1.00 0.00 C ATOM 731 CE1 PHE A 44 0.890 5.423 -2.346 1.00 0.00 C ATOM 732 CE2 PHE A 44 1.392 7.796 -2.195 1.00 0.00 C ATOM 733 CZ PHE A 44 1.330 6.527 -1.596 1.00 0.00 C ATOM 0 H PHE A 44 -1.381 8.409 -4.181 1.00 0.00 H new ATOM 0 HA PHE A 44 -1.717 7.410 -6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.385 6.209 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.514 7.948 -6.100 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.147 4.755 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.005 8.959 -3.972 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.867 4.439 -1.901 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.767 8.637 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.619 6.400 -0.563 1.00 0.00 H new ATOM 743 N LEU A 45 -3.376 5.871 -4.876 1.00 0.00 N ATOM 744 CA LEU A 45 -4.129 4.676 -4.503 1.00 0.00 C ATOM 745 C LEU A 45 -4.249 3.636 -5.627 1.00 0.00 C ATOM 746 O LEU A 45 -3.934 2.480 -5.351 1.00 0.00 O ATOM 747 CB LEU A 45 -5.475 5.144 -3.919 1.00 0.00 C ATOM 748 CG LEU A 45 -6.475 4.052 -3.532 1.00 0.00 C ATOM 749 CD1 LEU A 45 -5.964 3.120 -2.437 1.00 0.00 C ATOM 750 CD2 LEU A 45 -7.761 4.739 -3.045 1.00 0.00 C ATOM 0 H LEU A 45 -3.825 6.734 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.582 4.119 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.270 5.747 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.952 5.799 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.646 3.433 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.724 2.371 -2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.055 2.624 -2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.748 3.698 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.493 3.982 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.535 5.365 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.169 5.357 -3.845 1.00 0.00 H new ATOM 762 N PRO A 46 -4.634 3.973 -6.872 1.00 0.00 N ATOM 763 CA PRO A 46 -4.647 2.980 -7.934 1.00 0.00 C ATOM 764 C PRO A 46 -3.251 2.540 -8.382 1.00 0.00 C ATOM 765 O PRO A 46 -3.107 1.380 -8.748 1.00 0.00 O ATOM 766 CB PRO A 46 -5.472 3.584 -9.067 1.00 0.00 C ATOM 767 CG PRO A 46 -5.373 5.087 -8.848 1.00 0.00 C ATOM 768 CD PRO A 46 -5.200 5.231 -7.339 1.00 0.00 C ATOM 0 HA PRO A 46 -5.093 2.052 -7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.078 3.298 -10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.507 3.244 -9.030 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.529 5.514 -9.389 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.268 5.601 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.541 6.066 -7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.156 5.431 -6.855 1.00 0.00 H new ATOM 776 N GLU A 47 -2.209 3.372 -8.311 1.00 0.00 N ATOM 777 CA GLU A 47 -0.853 2.971 -8.660 1.00 0.00 C ATOM 778 C GLU A 47 -0.335 1.983 -7.623 1.00 0.00 C ATOM 779 O GLU A 47 0.320 1.006 -7.991 1.00 0.00 O ATOM 780 CB GLU A 47 0.101 4.169 -8.684 1.00 0.00 C ATOM 781 CG GLU A 47 -0.040 5.105 -9.884 1.00 0.00 C ATOM 782 CD GLU A 47 -0.935 6.300 -9.578 1.00 0.00 C ATOM 783 OE1 GLU A 47 -0.410 7.327 -9.086 1.00 0.00 O ATOM 784 OE2 GLU A 47 -2.157 6.229 -9.839 1.00 0.00 O ATOM 0 H GLU A 47 -2.287 4.343 -8.009 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.888 2.522 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.051 4.749 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.125 3.795 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.946 5.459 -10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.451 4.552 -10.728 1.00 0.00 H new ATOM 791 N LEU A 48 -0.613 2.241 -6.338 1.00 0.00 N ATOM 792 CA LEU A 48 -0.323 1.324 -5.255 1.00 0.00 C ATOM 793 C LEU A 48 -1.061 0.039 -5.518 1.00 0.00 C ATOM 794 O LEU A 48 -0.418 -0.997 -5.524 1.00 0.00 O ATOM 795 CB LEU A 48 -0.728 1.898 -3.895 1.00 0.00 C ATOM 796 CG LEU A 48 -0.533 0.899 -2.733 1.00 0.00 C ATOM 797 CD1 LEU A 48 0.940 0.542 -2.500 1.00 0.00 C ATOM 798 CD2 LEU A 48 -1.110 1.523 -1.466 1.00 0.00 C ATOM 0 H LEU A 48 -1.052 3.108 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 48 0.752 1.150 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.142 2.795 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.774 2.202 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.046 -0.027 -2.992 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.017 -0.163 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.352 0.089 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.500 1.446 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.983 0.834 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.589 2.455 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.171 1.726 -1.611 1.00 0.00 H new ATOM 810 N ALA A 49 -2.379 0.086 -5.708 1.00 0.00 N ATOM 811 CA ALA A 49 -3.157 -1.144 -5.827 1.00 0.00 C ATOM 812 C ALA A 49 -2.696 -1.961 -7.030 1.00 0.00 C ATOM 813 O ALA A 49 -2.493 -3.164 -6.896 1.00 0.00 O ATOM 814 CB ALA A 49 -4.649 -0.813 -5.951 1.00 0.00 C ATOM 0 H ALA A 49 -2.922 0.947 -5.782 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.999 -1.740 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.221 -1.737 -6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.975 -0.267 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.813 -0.199 -6.836 1.00 0.00 H new ATOM 820 N ARG A 50 -2.473 -1.323 -8.181 1.00 0.00 N ATOM 821 CA ARG A 50 -1.950 -1.956 -9.385 1.00 0.00 C ATOM 822 C ARG A 50 -0.630 -2.650 -9.079 1.00 0.00 C ATOM 823 O ARG A 50 -0.504 -3.846 -9.337 1.00 0.00 O ATOM 824 CB ARG A 50 -1.772 -0.893 -10.479 1.00 0.00 C ATOM 825 CG ARG A 50 -3.080 -0.503 -11.188 1.00 0.00 C ATOM 826 CD ARG A 50 -2.899 0.782 -12.009 1.00 0.00 C ATOM 827 NE ARG A 50 -1.822 0.658 -13.011 1.00 0.00 N ATOM 828 CZ ARG A 50 -0.966 1.619 -13.388 1.00 0.00 C ATOM 829 NH1 ARG A 50 -1.044 2.841 -12.862 1.00 0.00 N ATOM 830 NH2 ARG A 50 -0.028 1.348 -14.292 1.00 0.00 N ATOM 0 H ARG A 50 -2.657 -0.327 -8.300 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.652 -2.711 -9.739 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.330 -0.000 -10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.065 -1.264 -11.221 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.399 -1.315 -11.842 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.869 -0.359 -10.450 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.835 1.024 -12.513 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.675 1.611 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.718 -0.251 -13.462 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.759 3.052 -12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.388 3.565 -13.155 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.037 0.413 -14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.626 2.075 -14.582 1.00 0.00 H new ATOM 844 N ALA A 51 0.331 -1.932 -8.496 1.00 0.00 N ATOM 845 CA ALA A 51 1.637 -2.472 -8.154 1.00 0.00 C ATOM 846 C ALA A 51 1.539 -3.568 -7.081 1.00 0.00 C ATOM 847 O ALA A 51 2.267 -4.554 -7.147 1.00 0.00 O ATOM 848 CB ALA A 51 2.545 -1.322 -7.710 1.00 0.00 C ATOM 0 H ALA A 51 0.218 -0.949 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 51 2.068 -2.950 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.528 -1.714 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.644 -0.602 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.110 -0.830 -6.840 1.00 0.00 H new ATOM 854 N LEU A 52 0.664 -3.423 -6.083 1.00 0.00 N ATOM 855 CA LEU A 52 0.375 -4.443 -5.074 1.00 0.00 C ATOM 856 C LEU A 52 -0.305 -5.653 -5.722 1.00 0.00 C ATOM 857 O LEU A 52 -0.227 -6.758 -5.192 1.00 0.00 O ATOM 858 CB LEU A 52 -0.490 -3.848 -3.953 1.00 0.00 C ATOM 859 CG LEU A 52 -0.141 -4.349 -2.545 1.00 0.00 C ATOM 860 CD1 LEU A 52 1.272 -3.982 -2.050 1.00 0.00 C ATOM 861 CD2 LEU A 52 -1.115 -3.720 -1.549 1.00 0.00 C ATOM 0 H LEU A 52 0.122 -2.569 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 52 1.311 -4.783 -4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.392 -2.763 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.536 -4.078 -4.158 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.199 -5.436 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.421 -4.381 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.016 -4.408 -2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.380 -2.898 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.880 -4.066 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.026 -2.634 -1.589 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.134 -4.010 -1.804 1.00 0.00 H new ATOM 873 N GLY A 53 -0.962 -5.467 -6.866 1.00 0.00 N ATOM 874 CA GLY A 53 -1.668 -6.487 -7.618 1.00 0.00 C ATOM 875 C GLY A 53 -3.028 -6.756 -7.005 1.00 0.00 C ATOM 876 O GLY A 53 -3.381 -7.917 -6.817 1.00 0.00 O ATOM 0 H GLY A 53 -1.015 -4.551 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.787 -6.167 -8.653 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.082 -7.406 -7.634 1.00 0.00 H new ATOM 880 N VAL A 54 -3.763 -5.721 -6.609 1.00 0.00 N ATOM 881 CA VAL A 54 -5.106 -5.826 -6.051 1.00 0.00 C ATOM 882 C VAL A 54 -5.953 -4.692 -6.638 1.00 0.00 C ATOM 883 O VAL A 54 -5.422 -3.767 -7.262 1.00 0.00 O ATOM 884 CB VAL A 54 -5.064 -5.809 -4.504 1.00 0.00 C ATOM 885 CG1 VAL A 54 -4.147 -6.888 -3.902 1.00 0.00 C ATOM 886 CG2 VAL A 54 -4.624 -4.446 -3.958 1.00 0.00 C ATOM 0 H VAL A 54 -3.430 -4.759 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.563 -6.778 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.090 -6.021 -4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.167 -6.817 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.496 -7.874 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.127 -6.738 -4.257 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.608 -4.478 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.626 -4.211 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.324 -3.679 -4.288 1.00 0.00 H new ATOM 896 N ALA A 55 -7.269 -4.742 -6.448 1.00 0.00 N ATOM 897 CA ALA A 55 -8.155 -3.635 -6.773 1.00 0.00 C ATOM 898 C ALA A 55 -8.027 -2.540 -5.706 1.00 0.00 C ATOM 899 O ALA A 55 -7.768 -2.835 -4.539 1.00 0.00 O ATOM 900 CB ALA A 55 -9.585 -4.178 -6.844 1.00 0.00 C ATOM 0 H ALA A 55 -7.749 -5.555 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.889 -3.193 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.271 -3.366 -7.087 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.645 -4.946 -7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.859 -4.609 -5.881 1.00 0.00 H new ATOM 906 N VAL A 56 -8.307 -1.284 -6.049 1.00 0.00 N ATOM 907 CA VAL A 56 -8.562 -0.237 -5.063 1.00 0.00 C ATOM 908 C VAL A 56 -9.777 -0.627 -4.217 1.00 0.00 C ATOM 909 O VAL A 56 -9.784 -0.368 -3.017 1.00 0.00 O ATOM 910 CB VAL A 56 -8.770 1.096 -5.800 1.00 0.00 C ATOM 911 CG1 VAL A 56 -9.245 2.184 -4.839 1.00 0.00 C ATOM 912 CG2 VAL A 56 -7.464 1.551 -6.460 1.00 0.00 C ATOM 0 H VAL A 56 -8.363 -0.965 -7.016 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.715 -0.120 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 56 -9.532 0.936 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.384 3.117 -5.386 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.190 1.883 -4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.500 2.330 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.628 2.496 -6.978 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.697 1.684 -5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.136 0.797 -7.176 1.00 0.00 H new ATOM 922 N ASP A 57 -10.767 -1.304 -4.800 1.00 0.00 N ATOM 923 CA ASP A 57 -11.881 -1.861 -4.041 1.00 0.00 C ATOM 924 C ASP A 57 -11.424 -2.864 -2.984 1.00 0.00 C ATOM 925 O ASP A 57 -11.947 -2.851 -1.872 1.00 0.00 O ATOM 926 CB ASP A 57 -12.880 -2.536 -4.971 1.00 0.00 C ATOM 927 CG ASP A 57 -14.176 -2.808 -4.217 1.00 0.00 C ATOM 928 OD1 ASP A 57 -14.306 -3.908 -3.634 1.00 0.00 O ATOM 929 OD2 ASP A 57 -15.097 -1.960 -4.234 1.00 0.00 O ATOM 0 H ASP A 57 -10.817 -1.479 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.355 -1.024 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.076 -1.900 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.465 -3.470 -5.351 1.00 0.00 H new ATOM 934 N TRP A 58 -10.429 -3.701 -3.296 1.00 0.00 N ATOM 935 CA TRP A 58 -9.822 -4.588 -2.308 1.00 0.00 C ATOM 936 C TRP A 58 -9.105 -3.753 -1.261 1.00 0.00 C ATOM 937 O TRP A 58 -9.211 -4.048 -0.076 1.00 0.00 O ATOM 938 CB TRP A 58 -8.824 -5.571 -2.925 1.00 0.00 C ATOM 939 CG TRP A 58 -8.110 -6.455 -1.940 1.00 0.00 C ATOM 940 CD1 TRP A 58 -8.501 -7.699 -1.602 1.00 0.00 C ATOM 941 CD2 TRP A 58 -6.888 -6.213 -1.168 1.00 0.00 C ATOM 942 NE1 TRP A 58 -7.636 -8.234 -0.673 1.00 0.00 N ATOM 943 CE2 TRP A 58 -6.585 -7.388 -0.422 1.00 0.00 C ATOM 944 CE3 TRP A 58 -5.983 -5.139 -1.030 1.00 0.00 C ATOM 945 CZ2 TRP A 58 -5.426 -7.511 0.352 1.00 0.00 C ATOM 946 CZ3 TRP A 58 -4.819 -5.243 -0.241 1.00 0.00 C ATOM 947 CH2 TRP A 58 -4.539 -6.431 0.451 1.00 0.00 C ATOM 0 H TRP A 58 -10.028 -3.780 -4.231 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.627 -5.173 -1.864 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -9.353 -6.202 -3.639 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -8.081 -5.006 -3.488 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -9.368 -8.204 -2.002 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -7.761 -9.143 -0.228 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -6.188 -4.211 -1.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.216 -8.435 0.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -4.141 -4.406 -0.169 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -3.647 -6.512 1.055 1.00 0.00 H new ATOM 958 N LEU A 59 -8.374 -2.717 -1.675 1.00 0.00 N ATOM 959 CA LEU A 59 -7.703 -1.844 -0.731 1.00 0.00 C ATOM 960 C LEU A 59 -8.714 -1.263 0.248 1.00 0.00 C ATOM 961 O LEU A 59 -8.510 -1.365 1.454 1.00 0.00 O ATOM 962 CB LEU A 59 -6.835 -0.798 -1.446 1.00 0.00 C ATOM 963 CG LEU A 59 -5.362 -1.235 -1.572 1.00 0.00 C ATOM 964 CD1 LEU A 59 -4.565 -0.138 -2.273 1.00 0.00 C ATOM 965 CD2 LEU A 59 -4.656 -1.496 -0.230 1.00 0.00 C ATOM 0 H LEU A 59 -8.236 -2.469 -2.655 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.997 -2.423 -0.136 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.241 -0.613 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.885 0.144 -0.900 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.391 -2.172 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.523 -0.446 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.979 0.034 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.623 0.782 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.625 -1.798 -0.414 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.666 -0.586 0.369 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.176 -2.289 0.307 1.00 0.00 H new ATOM 977 N LEU A 60 -9.834 -0.735 -0.231 1.00 0.00 N ATOM 978 CA LEU A 60 -10.876 -0.176 0.613 1.00 0.00 C ATOM 979 C LEU A 60 -11.542 -1.234 1.488 1.00 0.00 C ATOM 980 O LEU A 60 -11.676 -1.010 2.689 1.00 0.00 O ATOM 981 CB LEU A 60 -11.903 0.545 -0.266 1.00 0.00 C ATOM 982 CG LEU A 60 -11.449 1.984 -0.576 1.00 0.00 C ATOM 983 CD1 LEU A 60 -12.224 2.544 -1.766 1.00 0.00 C ATOM 984 CD2 LEU A 60 -11.626 2.931 0.624 1.00 0.00 C ATOM 0 H LEU A 60 -10.044 -0.684 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.418 0.539 1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.041 -0.005 -1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.869 0.565 0.239 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.386 1.928 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.891 3.561 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.046 1.920 -2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.289 2.551 -1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.291 3.931 0.351 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -12.678 2.966 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.035 2.567 1.465 1.00 0.00 H new ATOM 996 N ASN A 61 -11.976 -2.354 0.910 1.00 0.00 N ATOM 997 CA ASN A 61 -12.871 -3.311 1.564 1.00 0.00 C ATOM 998 C ASN A 61 -12.166 -4.535 2.133 1.00 0.00 C ATOM 999 O ASN A 61 -12.475 -4.935 3.257 1.00 0.00 O ATOM 1000 CB ASN A 61 -13.950 -3.776 0.580 1.00 0.00 C ATOM 1001 CG ASN A 61 -14.884 -2.629 0.244 1.00 0.00 C ATOM 1002 OD1 ASN A 61 -15.531 -2.084 1.135 1.00 0.00 O ATOM 1003 ND2 ASN A 61 -14.935 -2.189 -0.998 1.00 0.00 N ATOM 0 H ASN A 61 -11.713 -2.626 -0.037 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.307 -2.776 2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.484 -4.153 -0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.516 -4.600 1.013 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.518 -1.385 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -14.392 -2.653 -1.726 1.00 0.00 H new ATOM 1010 N GLY A 62 -11.252 -5.139 1.374 1.00 0.00 N ATOM 1011 CA GLY A 62 -10.530 -6.352 1.727 1.00 0.00 C ATOM 1012 C GLY A 62 -11.290 -7.606 1.319 1.00 0.00 C ATOM 1013 O GLY A 62 -11.817 -8.313 2.176 1.00 0.00 O ATOM 0 H GLY A 62 -10.986 -4.777 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.553 -6.346 1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.353 -6.369 2.802 1.00 0.00 H new ATOM 1017 N ALA A 63 -11.341 -7.890 0.014 1.00 0.00 N ATOM 1018 CA ALA A 63 -11.866 -9.155 -0.499 1.00 0.00 C ATOM 1019 C ALA A 63 -10.926 -10.315 -0.156 1.00 0.00 C ATOM 1020 O ALA A 63 -9.817 -10.401 -0.700 1.00 0.00 O ATOM 1021 CB ALA A 63 -12.150 -9.074 -2.004 1.00 0.00 C ATOM 0 H ALA A 63 -11.020 -7.250 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.819 -9.349 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -12.539 -10.031 -2.353 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -12.885 -8.292 -2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.228 -8.841 -2.536 1.00 0.00 H new