USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 667 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 85 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.2!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.00156 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.00808 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -136:sc= -0.205 (180deg=-1.32) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 136:sc= -4.01! USER MOD Single : A 29 THR OG1 : rot 171:sc= 1.1 USER MOD Single : A 31 GLN : amide:sc= -0.479 X(o=-0.48,f=-0.24) USER MOD Single : A 39 TYR OH : rot -85:sc= -2.94! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.429 K(o=-0.43,f=-3.3!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.0156 K(o=-0.016,f=-1.3!) USER MOD Single : A 71 ASN : amide:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 72 MET CE :methyl -171:sc= -1.92! (180deg=-1.98!) USER MOD Single : A 74 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.032 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.123 -3.054 20.612 1.00 0.00 N ATOM 2 CA GLY A 1 -10.753 -3.530 20.531 1.00 0.00 C ATOM 3 C GLY A 1 -9.828 -2.695 21.418 1.00 0.00 C ATOM 4 O GLY A 1 -10.176 -2.370 22.552 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.776 -3.857 20.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.277 -2.596 21.533 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.298 -2.368 19.850 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.709 -4.575 20.836 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.409 -3.485 19.498 1.00 0.00 H new ATOM 8 N SER A 2 -8.667 -2.370 20.869 1.00 0.00 N ATOM 9 CA SER A 2 -7.690 -1.578 21.596 1.00 0.00 C ATOM 10 C SER A 2 -7.215 -0.410 20.730 1.00 0.00 C ATOM 11 O SER A 2 -6.593 -0.616 19.689 1.00 0.00 O ATOM 12 CB SER A 2 -6.499 -2.436 22.029 1.00 0.00 C ATOM 13 OG SER A 2 -6.478 -2.646 23.439 1.00 0.00 O ATOM 0 H SER A 2 -8.381 -2.641 19.928 1.00 0.00 H new ATOM 0 HA SER A 2 -8.167 -1.186 22.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.541 -3.399 21.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.572 -1.952 21.720 1.00 0.00 H new ATOM 0 HG SER A 2 -5.705 -3.199 23.676 1.00 0.00 H new ATOM 19 N SER A 3 -7.526 0.793 21.192 1.00 0.00 N ATOM 20 CA SER A 3 -7.138 1.994 20.474 1.00 0.00 C ATOM 21 C SER A 3 -6.827 3.118 21.463 1.00 0.00 C ATOM 22 O SER A 3 -7.451 3.211 22.520 1.00 0.00 O ATOM 23 CB SER A 3 -8.234 2.431 19.500 1.00 0.00 C ATOM 24 OG SER A 3 -9.388 2.920 20.181 1.00 0.00 O ATOM 0 H SER A 3 -8.043 0.961 22.055 1.00 0.00 H new ATOM 0 HA SER A 3 -6.242 1.772 19.894 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.845 3.207 18.841 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.515 1.588 18.868 1.00 0.00 H new ATOM 0 HG SER A 3 -10.064 3.191 19.526 1.00 0.00 H new ATOM 30 N GLY A 4 -5.863 3.945 21.087 1.00 0.00 N ATOM 31 CA GLY A 4 -5.463 5.060 21.928 1.00 0.00 C ATOM 32 C GLY A 4 -5.968 6.387 21.358 1.00 0.00 C ATOM 33 O GLY A 4 -5.596 6.773 20.251 1.00 0.00 O ATOM 0 H GLY A 4 -5.347 3.865 20.211 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.856 4.920 22.935 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.376 5.086 22.011 1.00 0.00 H new ATOM 37 N SER A 5 -6.807 7.049 22.140 1.00 0.00 N ATOM 38 CA SER A 5 -7.368 8.325 21.728 1.00 0.00 C ATOM 39 C SER A 5 -8.140 8.158 20.417 1.00 0.00 C ATOM 40 O SER A 5 -8.020 7.133 19.749 1.00 0.00 O ATOM 41 CB SER A 5 -6.273 9.382 21.567 1.00 0.00 C ATOM 42 OG SER A 5 -6.610 10.603 22.219 1.00 0.00 O ATOM 0 H SER A 5 -7.113 6.726 23.058 1.00 0.00 H new ATOM 0 HA SER A 5 -8.052 8.665 22.505 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.337 9.000 21.975 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.105 9.571 20.507 1.00 0.00 H new ATOM 0 HG SER A 5 -5.885 11.251 22.095 1.00 0.00 H new ATOM 48 N SER A 6 -8.914 9.181 20.089 1.00 0.00 N ATOM 49 CA SER A 6 -9.705 9.161 18.871 1.00 0.00 C ATOM 50 C SER A 6 -8.882 9.706 17.702 1.00 0.00 C ATOM 51 O SER A 6 -8.216 10.732 17.833 1.00 0.00 O ATOM 52 CB SER A 6 -10.993 9.970 19.036 1.00 0.00 C ATOM 53 OG SER A 6 -10.774 11.366 18.851 1.00 0.00 O ATOM 0 H SER A 6 -9.010 10.030 20.646 1.00 0.00 H new ATOM 0 HA SER A 6 -9.982 8.128 18.661 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.735 9.621 18.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.405 9.796 20.030 1.00 0.00 H new ATOM 0 HG SER A 6 -11.620 11.848 18.963 1.00 0.00 H new ATOM 59 N GLY A 7 -8.953 8.995 16.587 1.00 0.00 N ATOM 60 CA GLY A 7 -8.223 9.396 15.396 1.00 0.00 C ATOM 61 C GLY A 7 -6.833 8.756 15.366 1.00 0.00 C ATOM 62 O GLY A 7 -6.274 8.423 16.410 1.00 0.00 O ATOM 0 H GLY A 7 -9.505 8.143 16.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.782 9.104 14.507 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.129 10.482 15.371 1.00 0.00 H new ATOM 66 N SER A 8 -6.314 8.603 14.155 1.00 0.00 N ATOM 67 CA SER A 8 -5.000 8.009 13.975 1.00 0.00 C ATOM 68 C SER A 8 -3.936 9.106 13.902 1.00 0.00 C ATOM 69 O SER A 8 -3.005 9.126 14.705 1.00 0.00 O ATOM 70 CB SER A 8 -4.956 7.142 12.715 1.00 0.00 C ATOM 71 OG SER A 8 -5.916 6.089 12.758 1.00 0.00 O ATOM 0 H SER A 8 -6.780 8.880 13.291 1.00 0.00 H new ATOM 0 HA SER A 8 -4.794 7.368 14.832 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.140 7.765 11.840 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.958 6.719 12.601 1.00 0.00 H new ATOM 0 HG SER A 8 -5.858 5.559 11.935 1.00 0.00 H new ATOM 77 N GLU A 9 -4.110 9.991 12.931 1.00 0.00 N ATOM 78 CA GLU A 9 -3.176 11.088 12.743 1.00 0.00 C ATOM 79 C GLU A 9 -3.608 11.956 11.560 1.00 0.00 C ATOM 80 O GLU A 9 -3.798 11.454 10.453 1.00 0.00 O ATOM 81 CB GLU A 9 -1.750 10.567 12.549 1.00 0.00 C ATOM 82 CG GLU A 9 -0.731 11.508 13.193 1.00 0.00 C ATOM 83 CD GLU A 9 -0.184 10.916 14.494 1.00 0.00 C ATOM 84 OE1 GLU A 9 -0.995 10.760 15.431 1.00 0.00 O ATOM 85 OE2 GLU A 9 1.034 10.632 14.521 1.00 0.00 O ATOM 0 H GLU A 9 -4.884 9.971 12.267 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.184 11.704 13.642 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.660 9.573 12.986 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.537 10.468 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.090 11.691 12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.198 12.472 13.396 1.00 0.00 H new ATOM 92 N GLU A 10 -3.752 13.245 11.833 1.00 0.00 N ATOM 93 CA GLU A 10 -4.158 14.188 10.805 1.00 0.00 C ATOM 94 C GLU A 10 -3.471 13.856 9.479 1.00 0.00 C ATOM 95 O GLU A 10 -2.411 13.233 9.465 1.00 0.00 O ATOM 96 CB GLU A 10 -3.861 15.627 11.232 1.00 0.00 C ATOM 97 CG GLU A 10 -5.142 16.349 11.654 1.00 0.00 C ATOM 98 CD GLU A 10 -4.888 17.846 11.849 1.00 0.00 C ATOM 99 OE1 GLU A 10 -4.535 18.497 10.843 1.00 0.00 O ATOM 100 OE2 GLU A 10 -5.055 18.304 13.000 1.00 0.00 O ATOM 0 H GLU A 10 -3.595 13.658 12.752 1.00 0.00 H new ATOM 0 HA GLU A 10 -5.235 14.101 10.665 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.151 15.626 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.391 16.165 10.409 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.913 16.203 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.519 15.917 12.581 1.00 0.00 H new ATOM 107 N ASP A 11 -4.103 14.287 8.397 1.00 0.00 N ATOM 108 CA ASP A 11 -3.566 14.043 7.070 1.00 0.00 C ATOM 109 C ASP A 11 -2.529 15.118 6.740 1.00 0.00 C ATOM 110 O ASP A 11 -2.782 16.307 6.924 1.00 0.00 O ATOM 111 CB ASP A 11 -4.668 14.108 6.009 1.00 0.00 C ATOM 112 CG ASP A 11 -5.692 15.227 6.209 1.00 0.00 C ATOM 113 OD1 ASP A 11 -5.244 16.381 6.388 1.00 0.00 O ATOM 114 OD2 ASP A 11 -6.899 14.905 6.177 1.00 0.00 O ATOM 0 H ASP A 11 -4.982 14.804 8.413 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.118 13.049 7.064 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.203 14.232 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.194 13.153 5.994 1.00 0.00 H new ATOM 119 N ASP A 12 -1.382 14.660 6.258 1.00 0.00 N ATOM 120 CA ASP A 12 -0.305 15.568 5.900 1.00 0.00 C ATOM 121 C ASP A 12 -0.186 15.635 4.377 1.00 0.00 C ATOM 122 O ASP A 12 -1.101 15.231 3.660 1.00 0.00 O ATOM 123 CB ASP A 12 1.033 15.079 6.457 1.00 0.00 C ATOM 124 CG ASP A 12 1.797 16.105 7.299 1.00 0.00 C ATOM 125 OD1 ASP A 12 1.418 16.264 8.479 1.00 0.00 O ATOM 126 OD2 ASP A 12 2.741 16.705 6.742 1.00 0.00 O ATOM 0 H ASP A 12 -1.175 13.673 6.107 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.535 16.547 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.854 14.193 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.665 14.771 5.624 1.00 0.00 H new ATOM 131 N GLU A 13 0.949 16.150 3.925 1.00 0.00 N ATOM 132 CA GLU A 13 1.199 16.276 2.500 1.00 0.00 C ATOM 133 C GLU A 13 1.733 14.958 1.936 1.00 0.00 C ATOM 134 O GLU A 13 1.553 14.666 0.755 1.00 0.00 O ATOM 135 CB GLU A 13 2.165 17.427 2.213 1.00 0.00 C ATOM 136 CG GLU A 13 1.470 18.780 2.375 1.00 0.00 C ATOM 137 CD GLU A 13 1.170 19.408 1.012 1.00 0.00 C ATOM 138 OE1 GLU A 13 2.049 19.297 0.130 1.00 0.00 O ATOM 139 OE2 GLU A 13 0.068 19.984 0.883 1.00 0.00 O ATOM 0 H GLU A 13 1.706 16.485 4.522 1.00 0.00 H new ATOM 0 HA GLU A 13 0.256 16.505 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.017 17.369 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.556 17.334 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.542 18.652 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.102 19.450 2.957 1.00 0.00 H new ATOM 146 N VAL A 14 2.379 14.197 2.807 1.00 0.00 N ATOM 147 CA VAL A 14 2.941 12.917 2.411 1.00 0.00 C ATOM 148 C VAL A 14 1.816 11.885 2.297 1.00 0.00 C ATOM 149 O VAL A 14 1.825 11.049 1.395 1.00 0.00 O ATOM 150 CB VAL A 14 4.037 12.499 3.393 1.00 0.00 C ATOM 151 CG1 VAL A 14 3.439 12.087 4.739 1.00 0.00 C ATOM 152 CG2 VAL A 14 4.899 11.377 2.808 1.00 0.00 C ATOM 0 H VAL A 14 2.526 14.442 3.786 1.00 0.00 H new ATOM 0 HA VAL A 14 3.413 12.994 1.432 1.00 0.00 H new ATOM 0 HB VAL A 14 4.681 13.362 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.239 11.794 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.890 12.926 5.165 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.761 11.246 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.670 11.099 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.273 10.511 2.594 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.368 11.722 1.887 1.00 0.00 H new ATOM 162 N VAL A 15 0.874 11.978 3.224 1.00 0.00 N ATOM 163 CA VAL A 15 -0.254 11.063 3.239 1.00 0.00 C ATOM 164 C VAL A 15 -1.104 11.289 1.987 1.00 0.00 C ATOM 165 O VAL A 15 -1.299 10.372 1.190 1.00 0.00 O ATOM 166 CB VAL A 15 -1.046 11.230 4.538 1.00 0.00 C ATOM 167 CG1 VAL A 15 -2.447 10.628 4.407 1.00 0.00 C ATOM 168 CG2 VAL A 15 -0.294 10.617 5.720 1.00 0.00 C ATOM 0 H VAL A 15 0.869 12.673 3.970 1.00 0.00 H new ATOM 0 HA VAL A 15 0.091 10.029 3.216 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.157 12.297 4.729 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.989 10.760 5.344 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.985 11.130 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.366 9.565 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.878 10.749 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.138 9.553 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.671 11.111 5.833 1.00 0.00 H new ATOM 178 N ALA A 16 -1.589 12.515 1.853 1.00 0.00 N ATOM 179 CA ALA A 16 -2.414 12.873 0.712 1.00 0.00 C ATOM 180 C ALA A 16 -1.746 12.374 -0.571 1.00 0.00 C ATOM 181 O ALA A 16 -2.427 11.963 -1.510 1.00 0.00 O ATOM 182 CB ALA A 16 -2.641 14.386 0.700 1.00 0.00 C ATOM 0 H ALA A 16 -1.426 13.273 2.516 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.392 12.397 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.260 14.654 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.144 14.686 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.681 14.897 0.628 1.00 0.00 H new ATOM 188 N MET A 17 -0.423 12.427 -0.571 1.00 0.00 N ATOM 189 CA MET A 17 0.344 11.985 -1.723 1.00 0.00 C ATOM 190 C MET A 17 0.223 10.472 -1.916 1.00 0.00 C ATOM 191 O MET A 17 -0.311 10.011 -2.923 1.00 0.00 O ATOM 192 CB MET A 17 1.816 12.359 -1.531 1.00 0.00 C ATOM 193 CG MET A 17 2.391 12.990 -2.800 1.00 0.00 C ATOM 194 SD MET A 17 4.155 13.201 -2.631 1.00 0.00 S ATOM 195 CE MET A 17 4.199 14.372 -1.284 1.00 0.00 C ATOM 0 H MET A 17 0.138 12.770 0.209 1.00 0.00 H new ATOM 0 HA MET A 17 -0.053 12.478 -2.610 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.912 13.056 -0.698 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.390 11.470 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.173 12.358 -3.661 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.917 13.954 -2.984 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.927 15.153 -1.504 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.213 14.820 -1.159 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.484 13.859 -0.365 1.00 0.00 H new ATOM 205 N ILE A 18 0.726 9.741 -0.932 1.00 0.00 N ATOM 206 CA ILE A 18 0.681 8.289 -0.981 1.00 0.00 C ATOM 207 C ILE A 18 -0.754 7.837 -1.262 1.00 0.00 C ATOM 208 O ILE A 18 -0.989 7.030 -2.160 1.00 0.00 O ATOM 209 CB ILE A 18 1.276 7.692 0.296 1.00 0.00 C ATOM 210 CG1 ILE A 18 2.737 8.111 0.470 1.00 0.00 C ATOM 211 CG2 ILE A 18 1.109 6.171 0.319 1.00 0.00 C ATOM 212 CD1 ILE A 18 3.129 8.132 1.948 1.00 0.00 C ATOM 0 H ILE A 18 1.166 10.126 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 18 1.299 7.915 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 18 0.724 8.090 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.384 7.421 -0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.890 9.099 0.035 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.540 5.771 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.049 5.921 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.619 5.736 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.172 8.433 2.043 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.496 8.841 2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.998 7.137 2.373 1.00 0.00 H new ATOM 224 N LYS A 19 -1.674 8.377 -0.477 1.00 0.00 N ATOM 225 CA LYS A 19 -3.079 8.039 -0.629 1.00 0.00 C ATOM 226 C LYS A 19 -3.436 8.019 -2.117 1.00 0.00 C ATOM 227 O LYS A 19 -3.939 7.018 -2.625 1.00 0.00 O ATOM 228 CB LYS A 19 -3.950 8.985 0.199 1.00 0.00 C ATOM 229 CG LYS A 19 -3.710 8.783 1.696 1.00 0.00 C ATOM 230 CD LYS A 19 -5.033 8.626 2.449 1.00 0.00 C ATOM 231 CE LYS A 19 -4.869 7.701 3.656 1.00 0.00 C ATOM 232 NZ LYS A 19 -6.192 7.264 4.157 1.00 0.00 N ATOM 0 H LYS A 19 -1.474 9.046 0.266 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.275 7.040 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.730 10.018 -0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.001 8.812 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.092 7.899 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.158 9.633 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.386 9.603 2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.792 8.224 1.778 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.274 6.832 3.377 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.327 8.218 4.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.063 6.637 4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.747 8.096 4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.696 6.752 3.405 1.00 0.00 H new ATOM 246 N GLU A 20 -3.160 9.136 -2.774 1.00 0.00 N ATOM 247 CA GLU A 20 -3.444 9.260 -4.194 1.00 0.00 C ATOM 248 C GLU A 20 -2.750 8.141 -4.974 1.00 0.00 C ATOM 249 O GLU A 20 -3.370 7.488 -5.812 1.00 0.00 O ATOM 250 CB GLU A 20 -3.027 10.634 -4.719 1.00 0.00 C ATOM 251 CG GLU A 20 -4.073 11.192 -5.687 1.00 0.00 C ATOM 252 CD GLU A 20 -3.405 11.828 -6.908 1.00 0.00 C ATOM 253 OE1 GLU A 20 -2.692 12.833 -6.707 1.00 0.00 O ATOM 254 OE2 GLU A 20 -3.624 11.292 -8.017 1.00 0.00 O ATOM 0 H GLU A 20 -2.742 9.964 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.520 9.164 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.896 11.322 -3.884 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.064 10.558 -5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.740 10.392 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.687 11.934 -5.176 1.00 0.00 H new ATOM 261 N LEU A 21 -1.474 7.954 -4.670 1.00 0.00 N ATOM 262 CA LEU A 21 -0.691 6.926 -5.332 1.00 0.00 C ATOM 263 C LEU A 21 -1.322 5.558 -5.066 1.00 0.00 C ATOM 264 O LEU A 21 -1.073 4.601 -5.798 1.00 0.00 O ATOM 265 CB LEU A 21 0.777 7.017 -4.912 1.00 0.00 C ATOM 266 CG LEU A 21 1.775 7.342 -6.025 1.00 0.00 C ATOM 267 CD1 LEU A 21 3.213 7.092 -5.563 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.441 6.571 -7.303 1.00 0.00 C ATOM 0 H LEU A 21 -0.963 8.497 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.701 7.077 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.866 7.779 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.064 6.068 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 21 1.692 8.403 -6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.902 7.331 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.433 7.722 -4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.329 6.044 -5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.166 6.820 -8.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.478 5.500 -7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.441 6.842 -7.641 1.00 0.00 H new ATOM 280 N LEU A 22 -2.130 5.509 -4.016 1.00 0.00 N ATOM 281 CA LEU A 22 -2.800 4.275 -3.644 1.00 0.00 C ATOM 282 C LEU A 22 -4.134 4.179 -4.386 1.00 0.00 C ATOM 283 O LEU A 22 -4.497 3.114 -4.884 1.00 0.00 O ATOM 284 CB LEU A 22 -2.934 4.175 -2.123 1.00 0.00 C ATOM 285 CG LEU A 22 -1.710 3.641 -1.375 1.00 0.00 C ATOM 286 CD1 LEU A 22 -1.879 2.158 -1.035 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.427 3.904 -2.166 1.00 0.00 C ATOM 0 H LEU A 22 -2.335 6.305 -3.412 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.205 3.413 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.170 5.165 -1.733 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.784 3.532 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.624 4.180 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.996 1.803 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.758 2.027 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.004 1.586 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.428 3.515 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.489 3.408 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.305 4.977 -2.315 1.00 0.00 H new ATOM 299 N ASP A 23 -4.828 5.307 -4.437 1.00 0.00 N ATOM 300 CA ASP A 23 -6.115 5.364 -5.110 1.00 0.00 C ATOM 301 C ASP A 23 -5.894 5.346 -6.624 1.00 0.00 C ATOM 302 O ASP A 23 -6.695 4.778 -7.365 1.00 0.00 O ATOM 303 CB ASP A 23 -6.864 6.650 -4.757 1.00 0.00 C ATOM 304 CG ASP A 23 -8.043 6.469 -3.800 1.00 0.00 C ATOM 305 OD1 ASP A 23 -7.807 5.906 -2.709 1.00 0.00 O ATOM 306 OD2 ASP A 23 -9.155 6.896 -4.180 1.00 0.00 O ATOM 0 H ASP A 23 -4.523 6.188 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.703 4.504 -4.788 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.159 7.353 -4.313 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.229 7.104 -5.678 1.00 0.00 H new ATOM 311 N THR A 24 -4.804 5.975 -7.039 1.00 0.00 N ATOM 312 CA THR A 24 -4.469 6.038 -8.452 1.00 0.00 C ATOM 313 C THR A 24 -4.802 4.713 -9.139 1.00 0.00 C ATOM 314 O THR A 24 -5.919 4.524 -9.622 1.00 0.00 O ATOM 315 CB THR A 24 -2.994 6.429 -8.570 1.00 0.00 C ATOM 316 OG1 THR A 24 -2.378 5.809 -7.444 1.00 0.00 O ATOM 317 CG2 THR A 24 -2.765 7.925 -8.344 1.00 0.00 C ATOM 0 H THR A 24 -4.142 6.445 -6.422 1.00 0.00 H new ATOM 0 HA THR A 24 -5.064 6.793 -8.966 1.00 0.00 H new ATOM 0 HB THR A 24 -2.623 6.150 -9.556 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.540 5.384 -7.722 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.702 8.149 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.324 8.495 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.106 8.198 -7.345 1.00 0.00 H new ATOM 325 N ARG A 25 -3.815 3.830 -9.163 1.00 0.00 N ATOM 326 CA ARG A 25 -3.990 2.527 -9.783 1.00 0.00 C ATOM 327 C ARG A 25 -3.222 1.459 -9.002 1.00 0.00 C ATOM 328 O ARG A 25 -2.538 0.625 -9.593 1.00 0.00 O ATOM 329 CB ARG A 25 -3.503 2.539 -11.233 1.00 0.00 C ATOM 330 CG ARG A 25 -4.639 2.909 -12.190 1.00 0.00 C ATOM 331 CD ARG A 25 -4.565 2.082 -13.475 1.00 0.00 C ATOM 332 NE ARG A 25 -5.820 1.319 -13.658 1.00 0.00 N ATOM 333 CZ ARG A 25 -6.020 0.426 -14.637 1.00 0.00 C ATOM 334 NH1 ARG A 25 -5.049 0.179 -15.527 1.00 0.00 N ATOM 335 NH2 ARG A 25 -7.191 -0.219 -14.726 1.00 0.00 N ATOM 0 H ARG A 25 -2.891 3.991 -8.763 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.055 2.294 -9.771 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.686 3.252 -11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.107 1.558 -11.495 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.599 2.743 -11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.584 3.970 -12.433 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.400 2.737 -14.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.717 1.398 -13.429 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.580 1.483 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.158 0.671 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.201 -0.501 -16.272 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.930 -0.030 -14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.344 -0.899 -15.471 1.00 0.00 H new ATOM 349 N ILE A 26 -3.360 1.521 -7.685 1.00 0.00 N ATOM 350 CA ILE A 26 -2.687 0.569 -6.818 1.00 0.00 C ATOM 351 C ILE A 26 -3.731 -0.211 -6.017 1.00 0.00 C ATOM 352 O ILE A 26 -3.682 -1.439 -5.957 1.00 0.00 O ATOM 353 CB ILE A 26 -1.648 1.280 -5.947 1.00 0.00 C ATOM 354 CG1 ILE A 26 -0.541 1.894 -6.806 1.00 0.00 C ATOM 355 CG2 ILE A 26 -1.090 0.336 -4.879 1.00 0.00 C ATOM 356 CD1 ILE A 26 0.725 2.130 -5.980 1.00 0.00 C ATOM 0 H ILE A 26 -3.927 2.215 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.130 -0.158 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.142 2.100 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.316 1.233 -7.643 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.885 2.838 -7.229 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.354 0.866 -4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.902 -0.012 -4.241 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.616 -0.519 -5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.497 2.567 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.502 2.811 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.080 1.181 -5.579 1.00 0.00 H new ATOM 368 N ARG A 27 -4.652 0.533 -5.422 1.00 0.00 N ATOM 369 CA ARG A 27 -5.706 -0.073 -4.627 1.00 0.00 C ATOM 370 C ARG A 27 -6.758 -0.708 -5.539 1.00 0.00 C ATOM 371 O ARG A 27 -7.156 -1.853 -5.329 1.00 0.00 O ATOM 372 CB ARG A 27 -6.379 0.961 -3.724 1.00 0.00 C ATOM 373 CG ARG A 27 -7.885 0.707 -3.628 1.00 0.00 C ATOM 374 CD ARG A 27 -8.548 1.699 -2.671 1.00 0.00 C ATOM 375 NE ARG A 27 -9.508 0.992 -1.794 1.00 0.00 N ATOM 376 CZ ARG A 27 -10.436 1.606 -1.046 1.00 0.00 C ATOM 377 NH1 ARG A 27 -10.535 2.942 -1.064 1.00 0.00 N ATOM 378 NH2 ARG A 27 -11.265 0.882 -0.282 1.00 0.00 N ATOM 0 H ARG A 27 -4.690 1.551 -5.475 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.251 -0.841 -4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.936 0.923 -2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.200 1.962 -4.115 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.336 0.793 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.064 -0.311 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.789 2.197 -2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -9.063 2.474 -3.238 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.461 -0.026 -1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.904 3.492 -1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -11.241 3.409 -0.495 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.190 -0.135 -0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -11.971 1.348 0.287 1.00 0.00 H new ATOM 392 N PRO A 28 -7.191 0.083 -6.556 1.00 0.00 N ATOM 393 CA PRO A 28 -8.189 -0.389 -7.499 1.00 0.00 C ATOM 394 C PRO A 28 -7.581 -1.386 -8.487 1.00 0.00 C ATOM 395 O PRO A 28 -8.277 -1.903 -9.361 1.00 0.00 O ATOM 396 CB PRO A 28 -8.719 0.867 -8.173 1.00 0.00 C ATOM 397 CG PRO A 28 -7.679 1.946 -7.920 1.00 0.00 C ATOM 398 CD PRO A 28 -6.741 1.445 -6.834 1.00 0.00 C ATOM 0 HA PRO A 28 -8.998 -0.937 -7.016 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.863 0.706 -9.241 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.687 1.153 -7.761 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.124 2.163 -8.833 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.160 2.874 -7.611 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.704 1.459 -7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.797 2.070 -5.943 1.00 0.00 H new ATOM 406 N THR A 29 -6.290 -1.626 -8.317 1.00 0.00 N ATOM 407 CA THR A 29 -5.580 -2.553 -9.184 1.00 0.00 C ATOM 408 C THR A 29 -5.575 -3.957 -8.573 1.00 0.00 C ATOM 409 O THR A 29 -5.745 -4.947 -9.282 1.00 0.00 O ATOM 410 CB THR A 29 -4.180 -1.991 -9.429 1.00 0.00 C ATOM 411 OG1 THR A 29 -4.378 -0.981 -10.414 1.00 0.00 O ATOM 412 CG2 THR A 29 -3.255 -3.002 -10.113 1.00 0.00 C ATOM 0 H THR A 29 -5.716 -1.195 -7.592 1.00 0.00 H new ATOM 0 HA THR A 29 -6.078 -2.655 -10.148 1.00 0.00 H new ATOM 0 HB THR A 29 -3.742 -1.681 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.549 -0.472 -10.532 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.273 -2.553 -10.264 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.156 -3.888 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 29 -3.676 -3.286 -11.077 1.00 0.00 H new ATOM 420 N VAL A 30 -5.378 -3.996 -7.263 1.00 0.00 N ATOM 421 CA VAL A 30 -5.348 -5.261 -6.549 1.00 0.00 C ATOM 422 C VAL A 30 -6.727 -5.919 -6.629 1.00 0.00 C ATOM 423 O VAL A 30 -6.832 -7.120 -6.872 1.00 0.00 O ATOM 424 CB VAL A 30 -4.873 -5.039 -5.112 1.00 0.00 C ATOM 425 CG1 VAL A 30 -5.028 -6.315 -4.281 1.00 0.00 C ATOM 426 CG2 VAL A 30 -3.429 -4.538 -5.083 1.00 0.00 C ATOM 0 H VAL A 30 -5.238 -3.172 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.635 -5.944 -7.010 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.503 -4.269 -4.666 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.683 -6.131 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.077 -6.611 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.434 -7.113 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.116 -4.388 -4.050 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.779 -5.274 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.361 -3.594 -5.623 1.00 0.00 H new ATOM 436 N GLN A 31 -7.749 -5.104 -6.420 1.00 0.00 N ATOM 437 CA GLN A 31 -9.117 -5.592 -6.464 1.00 0.00 C ATOM 438 C GLN A 31 -9.309 -6.525 -7.663 1.00 0.00 C ATOM 439 O GLN A 31 -9.823 -7.632 -7.516 1.00 0.00 O ATOM 440 CB GLN A 31 -10.113 -4.432 -6.508 1.00 0.00 C ATOM 441 CG GLN A 31 -10.049 -3.606 -5.221 1.00 0.00 C ATOM 442 CD GLN A 31 -10.817 -2.292 -5.375 1.00 0.00 C ATOM 443 OE1 GLN A 31 -11.841 -2.214 -6.033 1.00 0.00 O ATOM 444 NE2 GLN A 31 -10.267 -1.265 -4.732 1.00 0.00 N ATOM 0 H GLN A 31 -7.658 -4.108 -6.220 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.309 -6.158 -5.552 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -9.896 -3.794 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.122 -4.820 -6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.467 -4.181 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.009 -3.397 -4.970 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.408 -1.398 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.704 -0.344 -4.773 1.00 0.00 H new ATOM 453 N GLU A 32 -8.886 -6.041 -8.822 1.00 0.00 N ATOM 454 CA GLU A 32 -9.004 -6.817 -10.044 1.00 0.00 C ATOM 455 C GLU A 32 -8.429 -8.220 -9.841 1.00 0.00 C ATOM 456 O GLU A 32 -8.916 -9.185 -10.426 1.00 0.00 O ATOM 457 CB GLU A 32 -8.318 -6.107 -11.213 1.00 0.00 C ATOM 458 CG GLU A 32 -9.331 -5.723 -12.294 1.00 0.00 C ATOM 459 CD GLU A 32 -8.718 -4.746 -13.299 1.00 0.00 C ATOM 460 OE1 GLU A 32 -7.900 -3.912 -12.853 1.00 0.00 O ATOM 461 OE2 GLU A 32 -9.080 -4.856 -14.490 1.00 0.00 O ATOM 0 H GLU A 32 -8.461 -5.121 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.062 -6.912 -10.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.810 -5.213 -10.852 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.554 -6.757 -11.640 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.671 -6.619 -12.814 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.208 -5.271 -11.831 1.00 0.00 H new ATOM 468 N ASP A 33 -7.400 -8.287 -9.009 1.00 0.00 N ATOM 469 CA ASP A 33 -6.753 -9.556 -8.721 1.00 0.00 C ATOM 470 C ASP A 33 -7.546 -10.295 -7.641 1.00 0.00 C ATOM 471 O ASP A 33 -8.133 -11.344 -7.905 1.00 0.00 O ATOM 472 CB ASP A 33 -5.330 -9.343 -8.201 1.00 0.00 C ATOM 473 CG ASP A 33 -4.319 -10.408 -8.631 1.00 0.00 C ATOM 474 OD1 ASP A 33 -4.720 -11.283 -9.426 1.00 0.00 O ATOM 475 OD2 ASP A 33 -3.167 -10.321 -8.153 1.00 0.00 O ATOM 0 H ASP A 33 -6.998 -7.484 -8.525 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.717 -10.133 -9.645 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.977 -8.370 -8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.358 -9.309 -7.112 1.00 0.00 H new ATOM 480 N GLY A 34 -7.539 -9.719 -6.448 1.00 0.00 N ATOM 481 CA GLY A 34 -8.250 -10.309 -5.328 1.00 0.00 C ATOM 482 C GLY A 34 -7.641 -9.865 -3.997 1.00 0.00 C ATOM 483 O GLY A 34 -6.961 -10.644 -3.330 1.00 0.00 O ATOM 0 H GLY A 34 -7.052 -8.849 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.300 -10.019 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.216 -11.396 -5.403 1.00 0.00 H new ATOM 487 N GLY A 35 -7.908 -8.615 -3.648 1.00 0.00 N ATOM 488 CA GLY A 35 -7.394 -8.058 -2.408 1.00 0.00 C ATOM 489 C GLY A 35 -7.728 -6.568 -2.296 1.00 0.00 C ATOM 490 O GLY A 35 -8.219 -5.965 -3.249 1.00 0.00 O ATOM 0 H GLY A 35 -8.474 -7.972 -4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.820 -8.595 -1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.314 -8.197 -2.363 1.00 0.00 H new ATOM 494 N ASP A 36 -7.450 -6.020 -1.123 1.00 0.00 N ATOM 495 CA ASP A 36 -7.714 -4.612 -0.874 1.00 0.00 C ATOM 496 C ASP A 36 -6.546 -4.009 -0.092 1.00 0.00 C ATOM 497 O ASP A 36 -6.305 -4.383 1.055 1.00 0.00 O ATOM 498 CB ASP A 36 -8.986 -4.429 -0.043 1.00 0.00 C ATOM 499 CG ASP A 36 -10.287 -4.781 -0.766 1.00 0.00 C ATOM 500 OD1 ASP A 36 -10.482 -5.987 -1.031 1.00 0.00 O ATOM 501 OD2 ASP A 36 -11.059 -3.836 -1.037 1.00 0.00 O ATOM 0 H ASP A 36 -7.045 -6.524 -0.334 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.838 -4.116 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.908 -5.045 0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.040 -3.391 0.287 1.00 0.00 H new ATOM 506 N VAL A 37 -5.853 -3.086 -0.742 1.00 0.00 N ATOM 507 CA VAL A 37 -4.717 -2.427 -0.121 1.00 0.00 C ATOM 508 C VAL A 37 -5.197 -1.168 0.605 1.00 0.00 C ATOM 509 O VAL A 37 -5.676 -0.228 -0.027 1.00 0.00 O ATOM 510 CB VAL A 37 -3.642 -2.139 -1.170 1.00 0.00 C ATOM 511 CG1 VAL A 37 -3.861 -0.770 -1.818 1.00 0.00 C ATOM 512 CG2 VAL A 37 -2.242 -2.240 -0.563 1.00 0.00 C ATOM 0 H VAL A 37 -6.056 -2.779 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.259 -3.077 0.624 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.724 -2.896 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.083 -0.590 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.837 -0.749 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.819 0.005 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.497 -2.031 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.143 -1.516 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.087 -3.245 -0.171 1.00 0.00 H new ATOM 522 N ILE A 38 -5.051 -1.192 1.921 1.00 0.00 N ATOM 523 CA ILE A 38 -5.463 -0.064 2.741 1.00 0.00 C ATOM 524 C ILE A 38 -4.267 0.434 3.554 1.00 0.00 C ATOM 525 O ILE A 38 -3.732 -0.294 4.388 1.00 0.00 O ATOM 526 CB ILE A 38 -6.676 -0.438 3.595 1.00 0.00 C ATOM 527 CG1 ILE A 38 -7.714 -1.202 2.772 1.00 0.00 C ATOM 528 CG2 ILE A 38 -7.275 0.799 4.269 1.00 0.00 C ATOM 529 CD1 ILE A 38 -7.431 -2.706 2.789 1.00 0.00 C ATOM 0 H ILE A 38 -4.653 -1.974 2.441 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.788 0.765 2.113 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.341 -1.106 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.711 -1.012 3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.707 -0.839 1.744 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.136 0.505 4.870 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.526 1.262 4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.591 1.512 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -8.184 -3.225 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.444 -2.895 2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -7.463 -3.071 3.816 1.00 0.00 H new ATOM 541 N TYR A 39 -3.883 1.673 3.282 1.00 0.00 N ATOM 542 CA TYR A 39 -2.760 2.277 3.978 1.00 0.00 C ATOM 543 C TYR A 39 -3.187 2.813 5.347 1.00 0.00 C ATOM 544 O TYR A 39 -3.835 3.855 5.435 1.00 0.00 O ATOM 545 CB TYR A 39 -2.304 3.449 3.105 1.00 0.00 C ATOM 546 CG TYR A 39 -1.617 4.573 3.883 1.00 0.00 C ATOM 547 CD1 TYR A 39 -0.911 4.286 5.033 1.00 0.00 C ATOM 548 CD2 TYR A 39 -1.703 5.876 3.433 1.00 0.00 C ATOM 549 CE1 TYR A 39 -0.265 5.344 5.765 1.00 0.00 C ATOM 550 CE2 TYR A 39 -1.056 6.934 4.165 1.00 0.00 C ATOM 551 CZ TYR A 39 -0.368 6.616 5.294 1.00 0.00 C ATOM 552 OH TYR A 39 0.242 7.616 5.985 1.00 0.00 O ATOM 0 H TYR A 39 -4.330 2.274 2.590 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.970 1.544 4.141 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.619 3.077 2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.169 3.858 2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.843 3.267 5.384 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -2.255 6.101 2.533 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.289 5.133 6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.116 7.957 3.825 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.349 7.926 6.702 1.00 0.00 H new ATOM 562 N ARG A 40 -2.807 2.075 6.379 1.00 0.00 N ATOM 563 CA ARG A 40 -3.142 2.463 7.739 1.00 0.00 C ATOM 564 C ARG A 40 -1.887 2.471 8.613 1.00 0.00 C ATOM 565 O ARG A 40 -1.516 1.447 9.183 1.00 0.00 O ATOM 566 CB ARG A 40 -4.171 1.507 8.346 1.00 0.00 C ATOM 567 CG ARG A 40 -5.238 1.125 7.318 1.00 0.00 C ATOM 568 CD ARG A 40 -6.281 2.236 7.173 1.00 0.00 C ATOM 569 NE ARG A 40 -7.643 1.665 7.257 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.767 2.394 7.239 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.697 3.729 7.140 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.960 1.791 7.320 1.00 0.00 N ATOM 0 H ARG A 40 -2.271 1.211 6.301 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.570 3.465 7.702 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.670 0.609 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.644 1.976 9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.767 0.935 6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.727 0.200 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.141 2.982 7.956 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.150 2.747 6.219 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.732 0.652 7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.789 4.189 7.078 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.552 4.285 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.014 0.775 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.815 2.347 7.306 1.00 0.00 H new ATOM 586 N GLY A 41 -1.267 3.640 8.692 1.00 0.00 N ATOM 587 CA GLY A 41 -0.061 3.796 9.487 1.00 0.00 C ATOM 588 C GLY A 41 1.160 4.024 8.594 1.00 0.00 C ATOM 589 O GLY A 41 1.379 3.284 7.636 1.00 0.00 O ATOM 0 H GLY A 41 -1.578 4.488 8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.178 4.637 10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.093 2.907 10.099 1.00 0.00 H new ATOM 593 N PHE A 42 1.921 5.053 8.937 1.00 0.00 N ATOM 594 CA PHE A 42 3.113 5.388 8.178 1.00 0.00 C ATOM 595 C PHE A 42 4.232 5.874 9.101 1.00 0.00 C ATOM 596 O PHE A 42 4.164 6.979 9.637 1.00 0.00 O ATOM 597 CB PHE A 42 2.731 6.519 7.221 1.00 0.00 C ATOM 598 CG PHE A 42 3.908 7.085 6.424 1.00 0.00 C ATOM 599 CD1 PHE A 42 4.531 6.316 5.490 1.00 0.00 C ATOM 600 CD2 PHE A 42 4.333 8.357 6.650 1.00 0.00 C ATOM 601 CE1 PHE A 42 5.623 6.841 4.751 1.00 0.00 C ATOM 602 CE2 PHE A 42 5.426 8.883 5.911 1.00 0.00 C ATOM 603 CZ PHE A 42 6.047 8.113 4.977 1.00 0.00 C ATOM 0 H PHE A 42 1.735 5.666 9.731 1.00 0.00 H new ATOM 0 HA PHE A 42 3.474 4.508 7.645 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.977 6.152 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.272 7.325 7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.194 5.306 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.839 8.967 7.392 1.00 0.00 H new ATOM 0 HE1 PHE A 42 6.117 6.231 4.010 1.00 0.00 H new ATOM 0 HE2 PHE A 42 5.764 9.893 6.090 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.878 8.513 4.414 1.00 0.00 H new ATOM 613 N GLU A 43 5.238 5.025 9.257 1.00 0.00 N ATOM 614 CA GLU A 43 6.370 5.355 10.107 1.00 0.00 C ATOM 615 C GLU A 43 7.673 4.880 9.461 1.00 0.00 C ATOM 616 O GLU A 43 7.696 3.853 8.783 1.00 0.00 O ATOM 617 CB GLU A 43 6.200 4.757 11.504 1.00 0.00 C ATOM 618 CG GLU A 43 6.194 5.851 12.572 1.00 0.00 C ATOM 619 CD GLU A 43 5.220 5.510 13.702 1.00 0.00 C ATOM 620 OE1 GLU A 43 4.103 5.060 13.371 1.00 0.00 O ATOM 621 OE2 GLU A 43 5.616 5.708 14.871 1.00 0.00 O ATOM 0 H GLU A 43 5.293 4.110 8.810 1.00 0.00 H new ATOM 0 HA GLU A 43 6.415 6.439 10.216 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.268 4.193 11.551 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.009 4.054 11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.198 5.974 12.978 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.914 6.803 12.121 1.00 0.00 H new ATOM 628 N ASP A 44 8.726 5.649 9.693 1.00 0.00 N ATOM 629 CA ASP A 44 10.030 5.319 9.144 1.00 0.00 C ATOM 630 C ASP A 44 9.904 5.111 7.634 1.00 0.00 C ATOM 631 O ASP A 44 10.759 4.478 7.017 1.00 0.00 O ATOM 632 CB ASP A 44 10.575 4.027 9.755 1.00 0.00 C ATOM 633 CG ASP A 44 11.206 4.184 11.140 1.00 0.00 C ATOM 634 OD1 ASP A 44 10.790 5.123 11.851 1.00 0.00 O ATOM 635 OD2 ASP A 44 12.092 3.359 11.457 1.00 0.00 O ATOM 0 H ASP A 44 8.703 6.500 10.254 1.00 0.00 H new ATOM 0 HA ASP A 44 10.709 6.140 9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.763 3.303 9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.320 3.608 9.078 1.00 0.00 H new ATOM 640 N GLY A 45 8.829 5.656 7.081 1.00 0.00 N ATOM 641 CA GLY A 45 8.580 5.538 5.654 1.00 0.00 C ATOM 642 C GLY A 45 7.832 4.242 5.334 1.00 0.00 C ATOM 643 O GLY A 45 7.159 4.147 4.309 1.00 0.00 O ATOM 0 H GLY A 45 8.121 6.180 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.997 6.393 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.526 5.559 5.113 1.00 0.00 H new ATOM 647 N ILE A 46 7.975 3.277 6.230 1.00 0.00 N ATOM 648 CA ILE A 46 7.322 1.991 6.056 1.00 0.00 C ATOM 649 C ILE A 46 5.805 2.186 6.096 1.00 0.00 C ATOM 650 O ILE A 46 5.218 2.305 7.171 1.00 0.00 O ATOM 651 CB ILE A 46 7.839 0.983 7.083 1.00 0.00 C ATOM 652 CG1 ILE A 46 9.347 0.771 6.931 1.00 0.00 C ATOM 653 CG2 ILE A 46 7.064 -0.332 7.000 1.00 0.00 C ATOM 654 CD1 ILE A 46 9.651 -0.197 5.785 1.00 0.00 C ATOM 0 H ILE A 46 8.534 3.360 7.079 1.00 0.00 H new ATOM 0 HA ILE A 46 7.565 1.569 5.081 1.00 0.00 H new ATOM 0 HB ILE A 46 7.670 1.393 8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.835 1.727 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.759 0.380 7.861 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.452 -1.031 7.741 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.008 -0.145 7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.178 -0.759 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.729 -0.331 5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.181 -1.160 5.987 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.259 0.209 4.852 1.00 0.00 H new ATOM 666 N VAL A 47 5.212 2.212 4.911 1.00 0.00 N ATOM 667 CA VAL A 47 3.774 2.390 4.798 1.00 0.00 C ATOM 668 C VAL A 47 3.071 1.085 5.176 1.00 0.00 C ATOM 669 O VAL A 47 3.394 0.025 4.641 1.00 0.00 O ATOM 670 CB VAL A 47 3.417 2.877 3.391 1.00 0.00 C ATOM 671 CG1 VAL A 47 1.903 3.044 3.238 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.149 4.178 3.059 1.00 0.00 C ATOM 0 H VAL A 47 5.701 2.113 4.021 1.00 0.00 H new ATOM 0 HA VAL A 47 3.428 3.157 5.491 1.00 0.00 H new ATOM 0 HB VAL A 47 3.745 2.119 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.675 3.391 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.412 2.087 3.412 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.542 3.774 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.878 4.502 2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.867 4.948 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.225 4.013 3.109 1.00 0.00 H new ATOM 682 N ARG A 48 2.123 1.204 6.092 1.00 0.00 N ATOM 683 CA ARG A 48 1.372 0.047 6.548 1.00 0.00 C ATOM 684 C ARG A 48 0.148 -0.176 5.656 1.00 0.00 C ATOM 685 O ARG A 48 -0.806 0.599 5.701 1.00 0.00 O ATOM 686 CB ARG A 48 0.914 0.222 7.996 1.00 0.00 C ATOM 687 CG ARG A 48 1.992 -0.251 8.974 1.00 0.00 C ATOM 688 CD ARG A 48 1.537 -0.069 10.423 1.00 0.00 C ATOM 689 NE ARG A 48 2.202 -1.065 11.292 1.00 0.00 N ATOM 690 CZ ARG A 48 1.977 -1.183 12.607 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.103 -0.368 13.215 1.00 0.00 N ATOM 692 NH2 ARG A 48 2.625 -2.118 13.317 1.00 0.00 N ATOM 0 H ARG A 48 1.857 2.085 6.532 1.00 0.00 H new ATOM 0 HA ARG A 48 2.031 -0.819 6.491 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.683 1.271 8.184 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.004 -0.342 8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.219 -1.301 8.790 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.912 0.309 8.805 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.775 0.939 10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.455 -0.181 10.490 1.00 0.00 H new ATOM 0 HE ARG A 48 2.874 -1.701 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.609 0.343 12.676 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.933 -0.459 14.217 1.00 0.00 H new ATOM 0 HH21 ARG A 48 3.289 -2.739 12.856 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.454 -2.208 14.318 1.00 0.00 H new ATOM 706 N LEU A 49 0.216 -1.239 4.869 1.00 0.00 N ATOM 707 CA LEU A 49 -0.875 -1.573 3.968 1.00 0.00 C ATOM 708 C LEU A 49 -1.539 -2.869 4.438 1.00 0.00 C ATOM 709 O LEU A 49 -0.863 -3.777 4.920 1.00 0.00 O ATOM 710 CB LEU A 49 -0.379 -1.625 2.521 1.00 0.00 C ATOM 711 CG LEU A 49 0.309 -0.361 2.003 1.00 0.00 C ATOM 712 CD1 LEU A 49 -0.677 0.806 1.921 1.00 0.00 C ATOM 713 CD2 LEU A 49 1.536 -0.017 2.850 1.00 0.00 C ATOM 0 H LEU A 49 1.009 -1.880 4.836 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.639 -0.796 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.317 -2.459 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.229 -1.844 1.874 1.00 0.00 H new ATOM 0 HG LEU A 49 0.662 -0.556 0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.162 1.692 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.490 0.548 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.082 1.010 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.006 0.886 2.460 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.230 0.151 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.247 -0.842 2.812 1.00 0.00 H new ATOM 725 N LYS A 50 -2.854 -2.913 4.280 1.00 0.00 N ATOM 726 CA LYS A 50 -3.616 -4.084 4.682 1.00 0.00 C ATOM 727 C LYS A 50 -4.151 -4.792 3.435 1.00 0.00 C ATOM 728 O LYS A 50 -5.358 -4.811 3.198 1.00 0.00 O ATOM 729 CB LYS A 50 -4.705 -3.695 5.683 1.00 0.00 C ATOM 730 CG LYS A 50 -5.548 -4.911 6.076 1.00 0.00 C ATOM 731 CD LYS A 50 -6.518 -4.563 7.207 1.00 0.00 C ATOM 732 CE LYS A 50 -7.796 -3.928 6.658 1.00 0.00 C ATOM 733 NZ LYS A 50 -8.976 -4.389 7.425 1.00 0.00 N ATOM 0 H LYS A 50 -3.411 -2.158 3.880 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.975 -4.796 5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.248 -3.262 6.573 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.346 -2.928 5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.106 -5.266 5.210 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.895 -5.725 6.390 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.767 -5.464 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.038 -3.877 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.722 -2.842 6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.915 -4.187 5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.835 -3.948 7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.055 -5.423 7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.868 -4.120 8.424 1.00 0.00 H new ATOM 747 N LEU A 51 -3.227 -5.355 2.671 1.00 0.00 N ATOM 748 CA LEU A 51 -3.591 -6.061 1.455 1.00 0.00 C ATOM 749 C LEU A 51 -3.668 -7.562 1.745 1.00 0.00 C ATOM 750 O LEU A 51 -2.960 -8.066 2.616 1.00 0.00 O ATOM 751 CB LEU A 51 -2.630 -5.703 0.319 1.00 0.00 C ATOM 752 CG LEU A 51 -1.336 -6.518 0.253 1.00 0.00 C ATOM 753 CD1 LEU A 51 -0.526 -6.366 1.541 1.00 0.00 C ATOM 754 CD2 LEU A 51 -1.629 -7.985 -0.070 1.00 0.00 C ATOM 0 H LEU A 51 -2.227 -5.337 2.871 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.579 -5.750 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.158 -5.820 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.368 -4.649 0.410 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.725 -6.124 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.388 -6.955 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.271 -5.317 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.117 -6.718 2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.693 -8.542 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.269 -8.407 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.134 -8.052 -1.034 1.00 0.00 H new ATOM 766 N GLN A 52 -4.534 -8.233 1.000 1.00 0.00 N ATOM 767 CA GLN A 52 -4.712 -9.665 1.166 1.00 0.00 C ATOM 768 C GLN A 52 -5.239 -10.289 -0.128 1.00 0.00 C ATOM 769 O GLN A 52 -6.305 -9.913 -0.613 1.00 0.00 O ATOM 770 CB GLN A 52 -5.645 -9.969 2.340 1.00 0.00 C ATOM 771 CG GLN A 52 -4.985 -10.933 3.329 1.00 0.00 C ATOM 772 CD GLN A 52 -5.890 -12.135 3.608 1.00 0.00 C ATOM 773 OE1 GLN A 52 -6.958 -12.286 3.039 1.00 0.00 O ATOM 774 NE2 GLN A 52 -5.404 -12.979 4.514 1.00 0.00 N ATOM 0 H GLN A 52 -5.120 -7.811 0.280 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.742 -10.108 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.908 -9.042 2.850 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.574 -10.403 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.032 -11.276 2.927 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.769 -10.412 4.261 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.502 -12.793 4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.933 -13.813 4.770 1.00 0.00 H new ATOM 783 N GLY A 53 -4.467 -11.231 -0.650 1.00 0.00 N ATOM 784 CA GLY A 53 -4.842 -11.910 -1.879 1.00 0.00 C ATOM 785 C GLY A 53 -4.228 -13.309 -1.941 1.00 0.00 C ATOM 786 O GLY A 53 -3.093 -13.474 -2.386 1.00 0.00 O ATOM 0 H GLY A 53 -3.584 -11.540 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.928 -11.982 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.511 -11.325 -2.737 1.00 0.00 H new ATOM 790 N SER A 54 -5.005 -14.283 -1.489 1.00 0.00 N ATOM 791 CA SER A 54 -4.551 -15.663 -1.489 1.00 0.00 C ATOM 792 C SER A 54 -3.948 -16.017 -2.849 1.00 0.00 C ATOM 793 O SER A 54 -2.892 -16.643 -2.921 1.00 0.00 O ATOM 794 CB SER A 54 -5.697 -16.619 -1.151 1.00 0.00 C ATOM 795 OG SER A 54 -6.819 -16.430 -2.007 1.00 0.00 O ATOM 0 H SER A 54 -5.946 -14.143 -1.120 1.00 0.00 H new ATOM 0 HA SER A 54 -3.785 -15.771 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.347 -17.648 -1.234 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.002 -16.468 -0.115 1.00 0.00 H new ATOM 0 HG SER A 54 -7.528 -17.060 -1.760 1.00 0.00 H new ATOM 801 N CYS A 55 -4.646 -15.600 -3.897 1.00 0.00 N ATOM 802 CA CYS A 55 -4.193 -15.865 -5.251 1.00 0.00 C ATOM 803 C CYS A 55 -2.784 -15.288 -5.408 1.00 0.00 C ATOM 804 O CYS A 55 -2.623 -14.095 -5.659 1.00 0.00 O ATOM 805 CB CYS A 55 -5.160 -15.298 -6.292 1.00 0.00 C ATOM 806 SG CYS A 55 -5.515 -16.560 -7.569 1.00 0.00 S ATOM 0 H CYS A 55 -5.522 -15.081 -3.834 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.166 -16.941 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.086 -14.987 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.729 -14.411 -6.756 1.00 0.00 H new ATOM 0 HG CYS A 55 -6.339 -16.069 -8.447 1.00 0.00 H new ATOM 812 N THR A 56 -1.802 -16.163 -5.255 1.00 0.00 N ATOM 813 CA THR A 56 -0.411 -15.756 -5.376 1.00 0.00 C ATOM 814 C THR A 56 -0.037 -15.569 -6.848 1.00 0.00 C ATOM 815 O THR A 56 0.907 -14.848 -7.166 1.00 0.00 O ATOM 816 CB THR A 56 0.451 -16.796 -4.657 1.00 0.00 C ATOM 817 OG1 THR A 56 1.775 -16.282 -4.764 1.00 0.00 O ATOM 818 CG2 THR A 56 0.507 -18.129 -5.406 1.00 0.00 C ATOM 0 H THR A 56 -1.941 -17.152 -5.048 1.00 0.00 H new ATOM 0 HA THR A 56 -0.239 -14.789 -4.904 1.00 0.00 H new ATOM 0 HB THR A 56 0.060 -16.960 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.400 -16.894 -4.322 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.131 -18.831 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.500 -18.536 -5.501 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.930 -17.971 -6.398 1.00 0.00 H new ATOM 826 N SER A 57 -0.797 -16.232 -7.708 1.00 0.00 N ATOM 827 CA SER A 57 -0.558 -16.148 -9.138 1.00 0.00 C ATOM 828 C SER A 57 0.943 -16.241 -9.424 1.00 0.00 C ATOM 829 O SER A 57 1.483 -15.444 -10.189 1.00 0.00 O ATOM 830 CB SER A 57 -1.129 -14.853 -9.717 1.00 0.00 C ATOM 831 OG SER A 57 -1.731 -15.059 -10.993 1.00 0.00 O ATOM 0 H SER A 57 -1.579 -16.830 -7.441 1.00 0.00 H new ATOM 0 HA SER A 57 -1.066 -16.984 -9.619 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.869 -14.443 -9.029 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.333 -14.114 -9.807 1.00 0.00 H new ATOM 0 HG SER A 57 -2.085 -14.209 -11.329 1.00 0.00 H new ATOM 837 N CYS A 58 1.573 -17.221 -8.792 1.00 0.00 N ATOM 838 CA CYS A 58 3.001 -17.427 -8.968 1.00 0.00 C ATOM 839 C CYS A 58 3.739 -16.257 -8.316 1.00 0.00 C ATOM 840 O CYS A 58 3.199 -15.158 -8.209 1.00 0.00 O ATOM 841 CB CYS A 58 3.371 -17.584 -10.444 1.00 0.00 C ATOM 842 SG CYS A 58 3.573 -19.357 -10.854 1.00 0.00 S ATOM 0 H CYS A 58 1.121 -17.880 -8.158 1.00 0.00 H new ATOM 0 HA CYS A 58 3.300 -18.357 -8.485 1.00 0.00 H new ATOM 0 HB2 CYS A 58 2.596 -17.143 -11.071 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.295 -17.046 -10.655 1.00 0.00 H new ATOM 0 HG CYS A 58 3.885 -19.479 -12.110 1.00 0.00 H new ATOM 848 N PRO A 59 4.998 -16.542 -7.884 1.00 0.00 N ATOM 849 CA PRO A 59 5.817 -15.526 -7.245 1.00 0.00 C ATOM 850 C PRO A 59 6.358 -14.530 -8.273 1.00 0.00 C ATOM 851 O PRO A 59 6.597 -13.367 -7.950 1.00 0.00 O ATOM 852 CB PRO A 59 6.915 -16.298 -6.531 1.00 0.00 C ATOM 853 CG PRO A 59 6.944 -17.674 -7.176 1.00 0.00 C ATOM 854 CD PRO A 59 5.671 -17.832 -7.993 1.00 0.00 C ATOM 0 HA PRO A 59 5.254 -14.915 -6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.877 -15.797 -6.637 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.710 -16.371 -5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.822 -17.779 -7.813 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.008 -18.451 -6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.895 -18.075 -9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.048 -18.638 -7.604 1.00 0.00 H new ATOM 862 N SER A 60 6.534 -15.022 -9.490 1.00 0.00 N ATOM 863 CA SER A 60 7.041 -14.190 -10.567 1.00 0.00 C ATOM 864 C SER A 60 6.187 -12.928 -10.701 1.00 0.00 C ATOM 865 O SER A 60 6.690 -11.815 -10.556 1.00 0.00 O ATOM 866 CB SER A 60 7.065 -14.956 -11.892 1.00 0.00 C ATOM 867 OG SER A 60 8.394 -15.173 -12.359 1.00 0.00 O ATOM 0 H SER A 60 6.334 -15.987 -9.754 1.00 0.00 H new ATOM 0 HA SER A 60 8.065 -13.905 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.564 -15.916 -11.765 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.503 -14.400 -12.643 1.00 0.00 H new ATOM 0 HG SER A 60 8.367 -15.666 -13.205 1.00 0.00 H new ATOM 873 N SER A 61 4.908 -13.143 -10.975 1.00 0.00 N ATOM 874 CA SER A 61 3.979 -12.037 -11.128 1.00 0.00 C ATOM 875 C SER A 61 3.989 -11.166 -9.871 1.00 0.00 C ATOM 876 O SER A 61 3.825 -9.949 -9.952 1.00 0.00 O ATOM 877 CB SER A 61 2.563 -12.542 -11.413 1.00 0.00 C ATOM 878 OG SER A 61 2.204 -12.380 -12.782 1.00 0.00 O ATOM 0 H SER A 61 4.494 -14.067 -11.095 1.00 0.00 H new ATOM 0 HA SER A 61 4.300 -11.437 -11.980 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.492 -13.595 -11.142 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.853 -12.003 -10.786 1.00 0.00 H new ATOM 0 HG SER A 61 1.294 -12.716 -12.924 1.00 0.00 H new ATOM 884 N ILE A 62 4.182 -11.822 -8.736 1.00 0.00 N ATOM 885 CA ILE A 62 4.216 -11.123 -7.463 1.00 0.00 C ATOM 886 C ILE A 62 5.460 -10.235 -7.406 1.00 0.00 C ATOM 887 O ILE A 62 5.351 -9.010 -7.357 1.00 0.00 O ATOM 888 CB ILE A 62 4.116 -12.117 -6.304 1.00 0.00 C ATOM 889 CG1 ILE A 62 2.659 -12.485 -6.020 1.00 0.00 C ATOM 890 CG2 ILE A 62 4.824 -11.579 -5.059 1.00 0.00 C ATOM 891 CD1 ILE A 62 2.516 -13.136 -4.643 1.00 0.00 C ATOM 0 H ILE A 62 4.317 -12.831 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 62 3.351 -10.466 -7.366 1.00 0.00 H new ATOM 0 HB ILE A 62 4.628 -13.034 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.038 -11.591 -6.069 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.296 -13.168 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.738 -12.304 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.877 -11.409 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.362 -10.640 -4.755 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.470 -13.388 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.119 -14.043 -4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.857 -12.442 -3.875 1.00 0.00 H new ATOM 903 N ILE A 63 6.614 -10.885 -7.417 1.00 0.00 N ATOM 904 CA ILE A 63 7.877 -10.169 -7.368 1.00 0.00 C ATOM 905 C ILE A 63 7.956 -9.200 -8.549 1.00 0.00 C ATOM 906 O ILE A 63 8.774 -8.282 -8.550 1.00 0.00 O ATOM 907 CB ILE A 63 9.048 -11.152 -7.300 1.00 0.00 C ATOM 908 CG1 ILE A 63 8.944 -12.043 -6.061 1.00 0.00 C ATOM 909 CG2 ILE A 63 10.387 -10.415 -7.365 1.00 0.00 C ATOM 910 CD1 ILE A 63 9.981 -13.168 -6.106 1.00 0.00 C ATOM 0 H ILE A 63 6.701 -11.900 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 63 7.940 -9.570 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 63 8.997 -11.805 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.092 -11.443 -5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.943 -12.469 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.202 -11.137 -7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.451 -9.859 -8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.463 -9.723 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.886 -13.787 -5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.815 -13.781 -6.992 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.982 -12.739 -6.144 1.00 0.00 H new ATOM 922 N THR A 64 7.093 -9.437 -9.526 1.00 0.00 N ATOM 923 CA THR A 64 7.054 -8.597 -10.711 1.00 0.00 C ATOM 924 C THR A 64 6.160 -7.379 -10.471 1.00 0.00 C ATOM 925 O THR A 64 6.623 -6.241 -10.543 1.00 0.00 O ATOM 926 CB THR A 64 6.601 -9.461 -11.889 1.00 0.00 C ATOM 927 OG1 THR A 64 7.742 -10.258 -12.195 1.00 0.00 O ATOM 928 CG2 THR A 64 6.366 -8.642 -13.160 1.00 0.00 C ATOM 0 H THR A 64 6.415 -10.199 -9.521 1.00 0.00 H new ATOM 0 HA THR A 64 8.040 -8.196 -10.945 1.00 0.00 H new ATOM 0 HB THR A 64 5.684 -9.987 -11.622 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.646 -11.140 -11.779 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.046 -9.303 -13.965 1.00 0.00 H new ATOM 0 HG22 THR A 64 5.593 -7.896 -12.974 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.291 -8.142 -13.447 1.00 0.00 H new ATOM 936 N LEU A 65 4.896 -7.658 -10.192 1.00 0.00 N ATOM 937 CA LEU A 65 3.933 -6.598 -9.941 1.00 0.00 C ATOM 938 C LEU A 65 3.988 -6.205 -8.464 1.00 0.00 C ATOM 939 O LEU A 65 4.296 -5.061 -8.134 1.00 0.00 O ATOM 940 CB LEU A 65 2.540 -7.017 -10.415 1.00 0.00 C ATOM 941 CG LEU A 65 2.012 -6.302 -11.660 1.00 0.00 C ATOM 942 CD1 LEU A 65 2.874 -6.620 -12.883 1.00 0.00 C ATOM 943 CD2 LEU A 65 0.536 -6.633 -11.897 1.00 0.00 C ATOM 0 H LEU A 65 4.515 -8.603 -10.134 1.00 0.00 H new ATOM 0 HA LEU A 65 4.186 -5.708 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.553 -8.089 -10.614 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.836 -6.852 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 65 2.079 -5.227 -11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.476 -6.099 -13.754 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.898 -6.294 -12.701 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.863 -7.694 -13.067 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.185 -6.112 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.422 -7.708 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.051 -6.315 -11.036 1.00 0.00 H new ATOM 955 N LYS A 66 3.683 -7.175 -7.614 1.00 0.00 N ATOM 956 CA LYS A 66 3.693 -6.944 -6.179 1.00 0.00 C ATOM 957 C LYS A 66 4.880 -6.048 -5.820 1.00 0.00 C ATOM 958 O LYS A 66 4.704 -4.994 -5.211 1.00 0.00 O ATOM 959 CB LYS A 66 3.675 -8.274 -5.423 1.00 0.00 C ATOM 960 CG LYS A 66 2.995 -8.120 -4.061 1.00 0.00 C ATOM 961 CD LYS A 66 3.995 -7.669 -2.995 1.00 0.00 C ATOM 962 CE LYS A 66 4.698 -8.871 -2.360 1.00 0.00 C ATOM 963 NZ LYS A 66 5.081 -8.568 -0.963 1.00 0.00 N ATOM 0 H LYS A 66 3.427 -8.123 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 66 2.790 -6.416 -5.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.150 -9.025 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.695 -8.633 -5.286 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.185 -7.394 -4.135 1.00 0.00 H new ATOM 0 HG3 LYS A 66 2.547 -9.068 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.735 -7.005 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.478 -7.097 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.039 -9.739 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.585 -9.129 -2.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.557 -9.394 -0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.727 -7.753 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.229 -8.344 -0.410 1.00 0.00 H new ATOM 977 N SER A 67 6.062 -6.500 -6.213 1.00 0.00 N ATOM 978 CA SER A 67 7.278 -5.752 -5.939 1.00 0.00 C ATOM 979 C SER A 67 7.383 -4.558 -6.891 1.00 0.00 C ATOM 980 O SER A 67 7.831 -3.483 -6.498 1.00 0.00 O ATOM 981 CB SER A 67 8.514 -6.644 -6.068 1.00 0.00 C ATOM 982 OG SER A 67 9.190 -6.801 -4.824 1.00 0.00 O ATOM 0 H SER A 67 6.204 -7.374 -6.719 1.00 0.00 H new ATOM 0 HA SER A 67 7.232 -5.388 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.217 -7.623 -6.446 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.197 -6.214 -6.800 1.00 0.00 H new ATOM 0 HG SER A 67 9.972 -7.378 -4.947 1.00 0.00 H new ATOM 988 N GLY A 68 6.962 -4.789 -8.127 1.00 0.00 N ATOM 989 CA GLY A 68 7.003 -3.746 -9.138 1.00 0.00 C ATOM 990 C GLY A 68 6.317 -2.473 -8.641 1.00 0.00 C ATOM 991 O GLY A 68 6.764 -1.366 -8.938 1.00 0.00 O ATOM 0 H GLY A 68 6.591 -5.683 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.039 -3.527 -9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.513 -4.096 -10.047 1.00 0.00 H new ATOM 995 N ILE A 69 5.244 -2.671 -7.891 1.00 0.00 N ATOM 996 CA ILE A 69 4.491 -1.553 -7.349 1.00 0.00 C ATOM 997 C ILE A 69 5.273 -0.931 -6.190 1.00 0.00 C ATOM 998 O ILE A 69 5.473 0.282 -6.151 1.00 0.00 O ATOM 999 CB ILE A 69 3.075 -1.992 -6.971 1.00 0.00 C ATOM 1000 CG1 ILE A 69 2.309 -2.489 -8.199 1.00 0.00 C ATOM 1001 CG2 ILE A 69 2.329 -0.871 -6.244 1.00 0.00 C ATOM 1002 CD1 ILE A 69 1.556 -3.785 -7.888 1.00 0.00 C ATOM 0 H ILE A 69 4.877 -3.591 -7.645 1.00 0.00 H new ATOM 0 HA ILE A 69 4.367 -0.776 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 69 3.150 -2.830 -6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.605 -1.725 -8.527 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.004 -2.656 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.325 -1.209 -5.987 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.867 -0.606 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.262 0.002 -6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.020 -4.117 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.266 -4.554 -7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.845 -3.608 -7.081 1.00 0.00 H new ATOM 1014 N GLN A 70 5.693 -1.791 -5.274 1.00 0.00 N ATOM 1015 CA GLN A 70 6.449 -1.342 -4.117 1.00 0.00 C ATOM 1016 C GLN A 70 7.517 -0.332 -4.540 1.00 0.00 C ATOM 1017 O GLN A 70 7.753 0.655 -3.843 1.00 0.00 O ATOM 1018 CB GLN A 70 7.075 -2.526 -3.378 1.00 0.00 C ATOM 1019 CG GLN A 70 7.790 -2.063 -2.107 1.00 0.00 C ATOM 1020 CD GLN A 70 9.310 -2.121 -2.280 1.00 0.00 C ATOM 1021 OE1 GLN A 70 9.924 -1.262 -2.891 1.00 0.00 O ATOM 1022 NE2 GLN A 70 9.879 -3.179 -1.710 1.00 0.00 N ATOM 0 H GLN A 70 5.524 -2.796 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 70 5.763 -0.848 -3.428 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.301 -3.249 -3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.782 -3.035 -4.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 7.487 -1.044 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 70 7.492 -2.692 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 70 9.306 -3.861 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 70 10.889 -3.309 -1.770 1.00 0.00 H new ATOM 1031 N ASN A 71 8.132 -0.611 -5.679 1.00 0.00 N ATOM 1032 CA ASN A 71 9.170 0.261 -6.202 1.00 0.00 C ATOM 1033 C ASN A 71 8.546 1.591 -6.626 1.00 0.00 C ATOM 1034 O ASN A 71 9.112 2.654 -6.377 1.00 0.00 O ATOM 1035 CB ASN A 71 9.841 -0.358 -7.430 1.00 0.00 C ATOM 1036 CG ASN A 71 11.259 0.189 -7.614 1.00 0.00 C ATOM 1037 OD1 ASN A 71 12.237 -0.388 -7.167 1.00 0.00 O ATOM 1038 ND2 ASN A 71 11.314 1.330 -8.294 1.00 0.00 N ATOM 0 H ASN A 71 7.932 -1.429 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 71 9.914 0.408 -5.419 1.00 0.00 H new ATOM 0 HB2 ASN A 71 9.877 -1.442 -7.322 1.00 0.00 H new ATOM 0 HB3 ASN A 71 9.247 -0.146 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.214 1.776 -8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.456 1.759 -8.640 1.00 0.00 H new ATOM 1045 N MET A 72 7.385 1.490 -7.259 1.00 0.00 N ATOM 1046 CA MET A 72 6.678 2.673 -7.719 1.00 0.00 C ATOM 1047 C MET A 72 6.558 3.710 -6.601 1.00 0.00 C ATOM 1048 O MET A 72 7.124 4.799 -6.696 1.00 0.00 O ATOM 1049 CB MET A 72 5.281 2.277 -8.200 1.00 0.00 C ATOM 1050 CG MET A 72 4.585 3.453 -8.889 1.00 0.00 C ATOM 1051 SD MET A 72 3.237 4.042 -7.877 1.00 0.00 S ATOM 1052 CE MET A 72 1.851 3.435 -8.822 1.00 0.00 C ATOM 0 H MET A 72 6.917 0.607 -7.464 1.00 0.00 H new ATOM 0 HA MET A 72 7.243 3.115 -8.539 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.355 1.438 -8.891 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.683 1.941 -7.353 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.299 4.258 -9.063 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.210 3.144 -9.865 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.927 3.849 -8.419 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.961 3.737 -9.864 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.818 2.347 -8.761 1.00 0.00 H new ATOM 1062 N LEU A 73 5.821 3.336 -5.566 1.00 0.00 N ATOM 1063 CA LEU A 73 5.620 4.220 -4.430 1.00 0.00 C ATOM 1064 C LEU A 73 6.930 4.945 -4.116 1.00 0.00 C ATOM 1065 O LEU A 73 7.024 6.161 -4.274 1.00 0.00 O ATOM 1066 CB LEU A 73 5.046 3.445 -3.243 1.00 0.00 C ATOM 1067 CG LEU A 73 3.696 3.933 -2.713 1.00 0.00 C ATOM 1068 CD1 LEU A 73 3.310 3.193 -1.431 1.00 0.00 C ATOM 1069 CD2 LEU A 73 3.699 5.451 -2.520 1.00 0.00 C ATOM 0 H LEU A 73 5.355 2.432 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 73 4.881 4.985 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.944 2.399 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.768 3.481 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 73 2.934 3.705 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.347 3.559 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.239 2.125 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.068 3.367 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.728 5.772 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.475 5.725 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.896 5.939 -3.475 1.00 0.00 H new ATOM 1081 N GLN A 74 7.910 4.167 -3.679 1.00 0.00 N ATOM 1082 CA GLN A 74 9.210 4.720 -3.342 1.00 0.00 C ATOM 1083 C GLN A 74 9.742 5.569 -4.498 1.00 0.00 C ATOM 1084 O GLN A 74 10.064 6.742 -4.315 1.00 0.00 O ATOM 1085 CB GLN A 74 10.199 3.612 -2.975 1.00 0.00 C ATOM 1086 CG GLN A 74 10.256 3.406 -1.460 1.00 0.00 C ATOM 1087 CD GLN A 74 10.409 1.924 -1.113 1.00 0.00 C ATOM 1088 OE1 GLN A 74 11.471 1.338 -1.237 1.00 0.00 O ATOM 1089 NE2 GLN A 74 9.291 1.353 -0.673 1.00 0.00 N ATOM 0 H GLN A 74 7.829 3.158 -3.551 1.00 0.00 H new ATOM 0 HA GLN A 74 9.094 5.362 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.905 2.682 -3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.191 3.867 -3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.092 3.969 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.348 3.799 -1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.435 1.902 -0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.290 0.366 -0.415 1.00 0.00 H new ATOM 1098 N PHE A 75 9.818 4.943 -5.664 1.00 0.00 N ATOM 1099 CA PHE A 75 10.306 5.627 -6.850 1.00 0.00 C ATOM 1100 C PHE A 75 9.685 7.020 -6.974 1.00 0.00 C ATOM 1101 O PHE A 75 10.400 8.013 -7.095 1.00 0.00 O ATOM 1102 CB PHE A 75 9.885 4.784 -8.056 1.00 0.00 C ATOM 1103 CG PHE A 75 9.733 5.585 -9.351 1.00 0.00 C ATOM 1104 CD1 PHE A 75 10.712 6.447 -9.736 1.00 0.00 C ATOM 1105 CD2 PHE A 75 8.620 5.434 -10.117 1.00 0.00 C ATOM 1106 CE1 PHE A 75 10.572 7.189 -10.938 1.00 0.00 C ATOM 1107 CE2 PHE A 75 8.480 6.176 -11.319 1.00 0.00 C ATOM 1108 CZ PHE A 75 9.459 7.038 -11.705 1.00 0.00 C ATOM 0 H PHE A 75 9.550 3.970 -5.812 1.00 0.00 H new ATOM 0 HA PHE A 75 11.388 5.745 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 75 10.623 3.997 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.938 4.293 -7.831 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.596 6.567 -9.127 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.843 4.750 -9.811 1.00 0.00 H new ATOM 0 HE1 PHE A 75 11.349 7.874 -11.244 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.596 6.056 -11.927 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.353 7.602 -12.620 1.00 0.00 H new ATOM 1118 N TYR A 76 8.360 7.047 -6.940 1.00 0.00 N ATOM 1119 CA TYR A 76 7.636 8.302 -7.048 1.00 0.00 C ATOM 1120 C TYR A 76 7.863 9.174 -5.811 1.00 0.00 C ATOM 1121 O TYR A 76 8.285 10.323 -5.927 1.00 0.00 O ATOM 1122 CB TYR A 76 6.155 7.928 -7.128 1.00 0.00 C ATOM 1123 CG TYR A 76 5.600 7.888 -8.553 1.00 0.00 C ATOM 1124 CD1 TYR A 76 5.886 6.817 -9.375 1.00 0.00 C ATOM 1125 CD2 TYR A 76 4.811 8.921 -9.016 1.00 0.00 C ATOM 1126 CE1 TYR A 76 5.365 6.779 -10.717 1.00 0.00 C ATOM 1127 CE2 TYR A 76 4.287 8.884 -10.357 1.00 0.00 C ATOM 1128 CZ TYR A 76 4.590 7.814 -11.141 1.00 0.00 C ATOM 1129 OH TYR A 76 4.097 7.778 -12.408 1.00 0.00 O ATOM 0 H TYR A 76 7.770 6.221 -6.839 1.00 0.00 H new ATOM 0 HA TYR A 76 7.973 8.866 -7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 76 6.012 6.951 -6.666 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.578 8.645 -6.544 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.501 6.007 -9.012 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.586 9.758 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.584 5.948 -11.372 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.668 9.686 -10.731 1.00 0.00 H new ATOM 0 HH TYR A 76 3.561 8.581 -12.573 1.00 0.00 H new ATOM 1139 N ILE A 77 7.573 8.594 -4.656 1.00 0.00 N ATOM 1140 CA ILE A 77 7.740 9.304 -3.399 1.00 0.00 C ATOM 1141 C ILE A 77 8.882 8.666 -2.606 1.00 0.00 C ATOM 1142 O ILE A 77 8.792 7.506 -2.206 1.00 0.00 O ATOM 1143 CB ILE A 77 6.416 9.360 -2.635 1.00 0.00 C ATOM 1144 CG1 ILE A 77 5.354 10.121 -3.431 1.00 0.00 C ATOM 1145 CG2 ILE A 77 6.614 9.947 -1.236 1.00 0.00 C ATOM 1146 CD1 ILE A 77 3.966 9.929 -2.817 1.00 0.00 C ATOM 0 H ILE A 77 7.223 7.640 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 77 8.019 10.342 -3.582 1.00 0.00 H new ATOM 0 HB ILE A 77 6.053 8.340 -2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.602 11.182 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.350 9.773 -4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.657 9.975 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.314 9.326 -0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.012 10.958 -1.319 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.230 10.480 -3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.711 8.869 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.967 10.300 -1.792 1.00 0.00 H new ATOM 1158 N PRO A 78 9.956 9.472 -2.396 1.00 0.00 N ATOM 1159 CA PRO A 78 11.115 8.998 -1.657 1.00 0.00 C ATOM 1160 C PRO A 78 10.822 8.940 -0.157 1.00 0.00 C ATOM 1161 O PRO A 78 11.680 8.545 0.632 1.00 0.00 O ATOM 1162 CB PRO A 78 12.229 9.970 -2.007 1.00 0.00 C ATOM 1163 CG PRO A 78 11.543 11.212 -2.554 1.00 0.00 C ATOM 1164 CD PRO A 78 10.098 10.851 -2.853 1.00 0.00 C ATOM 0 HA PRO A 78 11.396 7.979 -1.923 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.828 10.210 -1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.905 9.540 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.592 12.025 -1.830 1.00 0.00 H new ATOM 0 HG3 PRO A 78 12.045 11.559 -3.457 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.408 11.514 -2.330 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.880 10.939 -3.917 1.00 0.00 H new ATOM 1172 N GLU A 79 9.606 9.336 0.193 1.00 0.00 N ATOM 1173 CA GLU A 79 9.190 9.333 1.585 1.00 0.00 C ATOM 1174 C GLU A 79 9.015 7.897 2.083 1.00 0.00 C ATOM 1175 O GLU A 79 9.459 7.558 3.178 1.00 0.00 O ATOM 1176 CB GLU A 79 7.904 10.140 1.773 1.00 0.00 C ATOM 1177 CG GLU A 79 7.989 11.485 1.049 1.00 0.00 C ATOM 1178 CD GLU A 79 8.278 12.620 2.034 1.00 0.00 C ATOM 1179 OE1 GLU A 79 7.938 12.440 3.223 1.00 0.00 O ATOM 1180 OE2 GLU A 79 8.831 13.642 1.575 1.00 0.00 O ATOM 0 H GLU A 79 8.896 9.661 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 79 9.970 9.810 2.179 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.055 9.572 1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.727 10.306 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.773 11.446 0.293 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.052 11.681 0.527 1.00 0.00 H new ATOM 1187 N VAL A 80 8.365 7.092 1.255 1.00 0.00 N ATOM 1188 CA VAL A 80 8.125 5.701 1.599 1.00 0.00 C ATOM 1189 C VAL A 80 9.467 4.984 1.765 1.00 0.00 C ATOM 1190 O VAL A 80 10.452 5.346 1.126 1.00 0.00 O ATOM 1191 CB VAL A 80 7.226 5.049 0.546 1.00 0.00 C ATOM 1192 CG1 VAL A 80 6.840 3.628 0.959 1.00 0.00 C ATOM 1193 CG2 VAL A 80 5.982 5.901 0.286 1.00 0.00 C ATOM 0 H VAL A 80 7.997 7.377 0.347 1.00 0.00 H new ATOM 0 HA VAL A 80 7.596 5.628 2.549 1.00 0.00 H new ATOM 0 HB VAL A 80 7.790 4.986 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.201 3.187 0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.741 3.024 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.303 3.658 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.360 5.416 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.416 6.010 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.284 6.885 -0.072 1.00 0.00 H new ATOM 1203 N GLU A 81 9.460 3.977 2.628 1.00 0.00 N ATOM 1204 CA GLU A 81 10.663 3.205 2.887 1.00 0.00 C ATOM 1205 C GLU A 81 10.434 1.732 2.542 1.00 0.00 C ATOM 1206 O GLU A 81 11.302 1.085 1.962 1.00 0.00 O ATOM 1207 CB GLU A 81 11.115 3.364 4.341 1.00 0.00 C ATOM 1208 CG GLU A 81 12.133 4.498 4.477 1.00 0.00 C ATOM 1209 CD GLU A 81 13.391 4.021 5.206 1.00 0.00 C ATOM 1210 OE1 GLU A 81 13.239 3.150 6.090 1.00 0.00 O ATOM 1211 OE2 GLU A 81 14.476 4.536 4.863 1.00 0.00 O ATOM 0 H GLU A 81 8.640 3.679 3.156 1.00 0.00 H new ATOM 0 HA GLU A 81 11.460 3.587 2.249 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.251 3.568 4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 81 11.555 2.431 4.693 1.00 0.00 H new ATOM 0 HG2 GLU A 81 12.401 4.872 3.489 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.686 5.330 5.022 1.00 0.00 H new ATOM 1218 N GLY A 82 9.259 1.247 2.915 1.00 0.00 N ATOM 1219 CA GLY A 82 8.904 -0.138 2.654 1.00 0.00 C ATOM 1220 C GLY A 82 7.404 -0.367 2.855 1.00 0.00 C ATOM 1221 O GLY A 82 6.712 0.485 3.409 1.00 0.00 O ATOM 0 H GLY A 82 8.540 1.788 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.182 -0.402 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 82 9.468 -0.793 3.318 1.00 0.00 H new ATOM 1225 N VAL A 83 6.948 -1.522 2.394 1.00 0.00 N ATOM 1226 CA VAL A 83 5.544 -1.875 2.516 1.00 0.00 C ATOM 1227 C VAL A 83 5.405 -3.086 3.441 1.00 0.00 C ATOM 1228 O VAL A 83 6.249 -3.981 3.428 1.00 0.00 O ATOM 1229 CB VAL A 83 4.940 -2.108 1.130 1.00 0.00 C ATOM 1230 CG1 VAL A 83 5.390 -1.025 0.147 1.00 0.00 C ATOM 1231 CG2 VAL A 83 5.290 -3.503 0.607 1.00 0.00 C ATOM 0 H VAL A 83 7.526 -2.226 1.935 1.00 0.00 H new ATOM 0 HA VAL A 83 4.982 -1.056 2.966 1.00 0.00 H new ATOM 0 HB VAL A 83 3.856 -2.047 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.947 -1.214 -0.831 1.00 0.00 H new ATOM 0 HG12 VAL A 83 5.068 -0.049 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.477 -1.040 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.849 -3.643 -0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.373 -3.604 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.898 -4.257 1.290 1.00 0.00 H new ATOM 1241 N GLU A 84 4.334 -3.075 4.221 1.00 0.00 N ATOM 1242 CA GLU A 84 4.074 -4.161 5.149 1.00 0.00 C ATOM 1243 C GLU A 84 2.581 -4.497 5.169 1.00 0.00 C ATOM 1244 O GLU A 84 1.742 -3.604 5.277 1.00 0.00 O ATOM 1245 CB GLU A 84 4.577 -3.817 6.552 1.00 0.00 C ATOM 1246 CG GLU A 84 5.310 -5.003 7.180 1.00 0.00 C ATOM 1247 CD GLU A 84 4.373 -6.200 7.349 1.00 0.00 C ATOM 1248 OE1 GLU A 84 3.180 -5.951 7.630 1.00 0.00 O ATOM 1249 OE2 GLU A 84 4.869 -7.337 7.194 1.00 0.00 O ATOM 0 H GLU A 84 3.636 -2.331 4.229 1.00 0.00 H new ATOM 0 HA GLU A 84 4.620 -5.041 4.809 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.246 -2.958 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.736 -3.530 7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.156 -5.285 6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.714 -4.713 8.150 1.00 0.00 H new ATOM 1256 N GLN A 85 2.295 -5.787 5.062 1.00 0.00 N ATOM 1257 CA GLN A 85 0.919 -6.251 5.067 1.00 0.00 C ATOM 1258 C GLN A 85 0.362 -6.250 6.492 1.00 0.00 C ATOM 1259 O GLN A 85 0.386 -7.275 7.172 1.00 0.00 O ATOM 1260 CB GLN A 85 0.807 -7.640 4.435 1.00 0.00 C ATOM 1261 CG GLN A 85 -0.657 -8.059 4.289 1.00 0.00 C ATOM 1262 CD GLN A 85 -1.059 -9.041 5.392 1.00 0.00 C ATOM 1263 OE1 GLN A 85 -0.235 -9.553 6.133 1.00 0.00 O ATOM 1264 NE2 GLN A 85 -2.367 -9.273 5.460 1.00 0.00 N ATOM 0 H GLN A 85 2.994 -6.525 4.971 1.00 0.00 H new ATOM 0 HA GLN A 85 0.323 -5.565 4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.288 -7.638 3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.338 -8.367 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -1.297 -7.178 4.331 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -0.812 -8.519 3.313 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.001 -8.811 4.809 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.736 -9.913 6.164 1.00 0.00 H new ATOM 1273 N VAL A 86 -0.125 -5.088 6.902 1.00 0.00 N ATOM 1274 CA VAL A 86 -0.685 -4.941 8.234 1.00 0.00 C ATOM 1275 C VAL A 86 -1.892 -5.871 8.381 1.00 0.00 C ATOM 1276 O VAL A 86 -2.800 -5.851 7.551 1.00 0.00 O ATOM 1277 CB VAL A 86 -1.026 -3.473 8.500 1.00 0.00 C ATOM 1278 CG1 VAL A 86 0.240 -2.655 8.763 1.00 0.00 C ATOM 1279 CG2 VAL A 86 -1.831 -2.880 7.341 1.00 0.00 C ATOM 0 H VAL A 86 -0.143 -4.240 6.335 1.00 0.00 H new ATOM 0 HA VAL A 86 0.045 -5.233 8.989 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.645 -3.429 9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.030 -1.616 8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.758 -3.057 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 86 0.895 -2.709 7.894 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.061 -1.836 7.554 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.247 -2.943 6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.759 -3.438 7.220 1.00 0.00 H new ATOM 1289 N SER A 87 -1.864 -6.663 9.443 1.00 0.00 N ATOM 1290 CA SER A 87 -2.943 -7.597 9.708 1.00 0.00 C ATOM 1291 C SER A 87 -3.304 -7.571 11.195 1.00 0.00 C ATOM 1292 O SER A 87 -4.449 -7.300 11.554 1.00 0.00 O ATOM 1293 CB SER A 87 -2.561 -9.016 9.280 1.00 0.00 C ATOM 1294 OG SER A 87 -3.522 -9.583 8.393 1.00 0.00 O ATOM 0 H SER A 87 -1.110 -6.676 10.130 1.00 0.00 H new ATOM 0 HA SER A 87 -3.811 -7.291 9.124 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.585 -8.998 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.466 -9.648 10.163 1.00 0.00 H new ATOM 0 HG SER A 87 -3.241 -10.488 8.142 1.00 0.00 H new ATOM 1300 N GLY A 88 -2.307 -7.855 12.019 1.00 0.00 N ATOM 1301 CA GLY A 88 -2.505 -7.867 13.459 1.00 0.00 C ATOM 1302 C GLY A 88 -1.544 -8.846 14.136 1.00 0.00 C ATOM 1303 O GLY A 88 -1.413 -9.990 13.707 1.00 0.00 O ATOM 0 H GLY A 88 -1.359 -8.079 11.717 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.351 -6.865 13.859 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.534 -8.146 13.686 1.00 0.00 H new ATOM 1307 N PRO A 89 -0.879 -8.346 15.212 1.00 0.00 N ATOM 1308 CA PRO A 89 0.067 -9.162 15.953 1.00 0.00 C ATOM 1309 C PRO A 89 -0.661 -10.180 16.834 1.00 0.00 C ATOM 1310 O PRO A 89 -0.395 -11.378 16.752 1.00 0.00 O ATOM 1311 CB PRO A 89 0.899 -8.173 16.752 1.00 0.00 C ATOM 1312 CG PRO A 89 0.094 -6.885 16.790 1.00 0.00 C ATOM 1313 CD PRO A 89 -1.008 -6.994 15.748 1.00 0.00 C ATOM 0 HA PRO A 89 0.703 -9.763 15.304 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.088 -8.545 17.759 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.870 -8.013 16.284 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.332 -6.730 17.781 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.734 -6.028 16.580 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.991 -6.836 16.193 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.889 -6.245 14.965 1.00 0.00 H new ATOM 1321 N SER A 90 -1.564 -9.665 17.655 1.00 0.00 N ATOM 1322 CA SER A 90 -2.332 -10.515 18.549 1.00 0.00 C ATOM 1323 C SER A 90 -3.582 -11.032 17.835 1.00 0.00 C ATOM 1324 O SER A 90 -4.073 -10.401 16.900 1.00 0.00 O ATOM 1325 CB SER A 90 -2.722 -9.763 19.823 1.00 0.00 C ATOM 1326 OG SER A 90 -3.653 -10.498 20.613 1.00 0.00 O ATOM 0 H SER A 90 -1.781 -8.670 17.720 1.00 0.00 H new ATOM 0 HA SER A 90 -1.708 -11.362 18.835 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.828 -9.560 20.412 1.00 0.00 H new ATOM 0 HB3 SER A 90 -3.154 -8.799 19.557 1.00 0.00 H new ATOM 0 HG SER A 90 -3.876 -9.985 21.418 1.00 0.00 H new ATOM 1332 N SER A 91 -4.062 -12.175 18.303 1.00 0.00 N ATOM 1333 CA SER A 91 -5.246 -12.784 17.720 1.00 0.00 C ATOM 1334 C SER A 91 -5.701 -13.967 18.577 1.00 0.00 C ATOM 1335 O SER A 91 -5.080 -15.029 18.556 1.00 0.00 O ATOM 1336 CB SER A 91 -4.981 -13.239 16.284 1.00 0.00 C ATOM 1337 OG SER A 91 -6.177 -13.643 15.622 1.00 0.00 O ATOM 0 H SER A 91 -3.653 -12.695 19.079 1.00 0.00 H new ATOM 0 HA SER A 91 -6.038 -12.036 17.694 1.00 0.00 H new ATOM 0 HB2 SER A 91 -4.515 -12.427 15.727 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.273 -14.068 16.291 1.00 0.00 H new ATOM 0 HG SER A 91 -5.966 -13.925 14.707 1.00 0.00 H new ATOM 1343 N GLY A 92 -6.781 -13.745 19.310 1.00 0.00 N ATOM 1344 CA GLY A 92 -7.327 -14.780 20.173 1.00 0.00 C ATOM 1345 C GLY A 92 -8.479 -14.236 21.020 1.00 0.00 C ATOM 1346 O GLY A 92 -8.539 -13.040 21.298 1.00 0.00 O ATOM 0 H GLY A 92 -7.294 -12.863 19.325 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.679 -15.615 19.567 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.543 -15.167 20.824 1.00 0.00 H new TER 1350 GLY A 92