USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 825 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 20 ASN : amide:sc= -0.921! K(o=-0.21!,f=1.2) USER MOD Set 1.2: A 69 SER OG : rot 108:sc= 0.707 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -21:sc= 0.61 USER MOD Single : A 12 TYR OH : rot 30:sc=-0.00149 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 17 GLN : amide:sc= 0.096 X(o=0.096,f=-0.15) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -64:sc= 1.31 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 135:sc= 0.167 USER MOD Single : A 38 THR OG1 : rot -39:sc= 0.117 USER MOD Single : A 39 SER OG : rot 180:sc= -0.024 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -160:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= 0.184 X(o=0.18,f=-0.061) USER MOD Single : A 59 THR OG1 : rot 73:sc= 1.32 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 170:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 139:sc= -4.77! USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.000709 USER MOD Single : A 91 GLN : amide:sc= 1.27 K(o=1.3,f=-0.008) USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.050 15.735 8.941 1.00 0.00 N ATOM 2 CA GLY A 1 12.986 14.708 9.400 1.00 0.00 C ATOM 3 C GLY A 1 13.387 14.918 10.836 1.00 0.00 C ATOM 4 O GLY A 1 12.565 14.700 11.724 1.00 0.00 O ATOM 0 H1 GLY A 1 11.798 15.556 7.948 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.191 15.709 9.527 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.495 16.671 9.022 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.529 13.725 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.875 14.718 8.769 1.00 0.00 H new ATOM 8 N MET A 2 14.644 15.307 11.070 1.00 0.00 N ATOM 9 CA MET A 2 15.365 15.211 12.337 1.00 0.00 C ATOM 10 C MET A 2 15.561 13.747 12.740 1.00 0.00 C ATOM 11 O MET A 2 16.709 13.318 12.848 1.00 0.00 O ATOM 12 CB MET A 2 14.767 16.063 13.474 1.00 0.00 C ATOM 13 CG MET A 2 14.799 17.576 13.224 1.00 0.00 C ATOM 14 SD MET A 2 13.549 18.213 12.070 1.00 0.00 S ATOM 15 CE MET A 2 13.032 19.704 12.962 1.00 0.00 C ATOM 0 H MET A 2 15.217 15.721 10.335 1.00 0.00 H new ATOM 0 HA MET A 2 16.347 15.651 12.163 1.00 0.00 H new ATOM 0 HB2 MET A 2 13.733 15.757 13.635 1.00 0.00 H new ATOM 0 HB3 MET A 2 15.310 15.849 14.395 1.00 0.00 H new ATOM 0 HG2 MET A 2 14.677 18.086 14.180 1.00 0.00 H new ATOM 0 HG3 MET A 2 15.786 17.842 12.844 1.00 0.00 H new ATOM 0 HE1 MET A 2 12.262 20.221 12.390 1.00 0.00 H new ATOM 0 HE2 MET A 2 12.634 19.425 13.937 1.00 0.00 H new ATOM 0 HE3 MET A 2 13.889 20.364 13.096 1.00 0.00 H new ATOM 25 N SER A 3 14.490 12.977 12.940 1.00 0.00 N ATOM 26 CA SER A 3 14.528 11.555 13.263 1.00 0.00 C ATOM 27 C SER A 3 13.386 10.868 12.506 1.00 0.00 C ATOM 28 O SER A 3 12.400 10.420 13.097 1.00 0.00 O ATOM 29 CB SER A 3 14.447 11.397 14.788 1.00 0.00 C ATOM 30 OG SER A 3 14.642 10.061 15.209 1.00 0.00 O ATOM 0 H SER A 3 13.540 13.342 12.879 1.00 0.00 H new ATOM 0 HA SER A 3 15.456 11.078 12.950 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.198 12.034 15.256 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.474 11.744 15.134 1.00 0.00 H new ATOM 0 HG SER A 3 14.583 10.014 16.186 1.00 0.00 H new ATOM 36 N ALA A 4 13.486 10.819 11.177 1.00 0.00 N ATOM 37 CA ALA A 4 12.556 10.110 10.313 1.00 0.00 C ATOM 38 C ALA A 4 13.188 9.885 8.946 1.00 0.00 C ATOM 39 O ALA A 4 13.388 10.851 8.208 1.00 0.00 O ATOM 40 CB ALA A 4 11.261 10.914 10.151 1.00 0.00 C ATOM 0 H ALA A 4 14.235 11.284 10.665 1.00 0.00 H new ATOM 0 HA ALA A 4 12.322 9.148 10.769 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.574 10.371 9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 4 10.799 11.060 11.127 1.00 0.00 H new ATOM 0 HB3 ALA A 4 11.488 11.884 9.709 1.00 0.00 H new ATOM 46 N ASP A 5 13.445 8.627 8.592 1.00 0.00 N ATOM 47 CA ASP A 5 13.878 8.191 7.258 1.00 0.00 C ATOM 48 C ASP A 5 12.792 8.428 6.198 1.00 0.00 C ATOM 49 O ASP A 5 13.067 8.403 4.993 1.00 0.00 O ATOM 50 CB ASP A 5 14.220 6.694 7.286 1.00 0.00 C ATOM 51 CG ASP A 5 15.516 6.400 8.040 1.00 0.00 C ATOM 52 OD1 ASP A 5 16.573 6.963 7.679 1.00 0.00 O ATOM 53 OD2 ASP A 5 15.477 5.603 9.007 1.00 0.00 O ATOM 0 H ASP A 5 13.355 7.851 9.248 1.00 0.00 H new ATOM 0 HA ASP A 5 14.755 8.781 6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.401 6.147 7.753 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.308 6.326 6.264 1.00 0.00 H new ATOM 58 N GLY A 6 11.553 8.658 6.641 1.00 0.00 N ATOM 59 CA GLY A 6 10.434 9.059 5.804 1.00 0.00 C ATOM 60 C GLY A 6 10.541 10.528 5.418 1.00 0.00 C ATOM 61 O GLY A 6 11.566 11.187 5.612 1.00 0.00 O ATOM 0 H GLY A 6 11.300 8.565 7.625 1.00 0.00 H new ATOM 0 HA2 GLY A 6 10.409 8.444 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 6 9.498 8.886 6.335 1.00 0.00 H new ATOM 65 N SER A 7 9.482 11.067 4.833 1.00 0.00 N ATOM 66 CA SER A 7 9.385 12.471 4.475 1.00 0.00 C ATOM 67 C SER A 7 7.947 12.899 4.745 1.00 0.00 C ATOM 68 O SER A 7 7.679 13.438 5.820 1.00 0.00 O ATOM 69 CB SER A 7 9.895 12.671 3.039 1.00 0.00 C ATOM 70 OG SER A 7 11.281 12.349 2.991 1.00 0.00 O ATOM 0 H SER A 7 8.650 10.529 4.590 1.00 0.00 H new ATOM 0 HA SER A 7 10.023 13.122 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.337 12.037 2.350 1.00 0.00 H new ATOM 0 HB3 SER A 7 9.737 13.702 2.723 1.00 0.00 H new ATOM 0 HG SER A 7 11.614 12.472 2.078 1.00 0.00 H new ATOM 76 N GLU A 8 7.009 12.595 3.852 1.00 0.00 N ATOM 77 CA GLU A 8 5.617 13.035 3.957 1.00 0.00 C ATOM 78 C GLU A 8 4.622 11.881 3.878 1.00 0.00 C ATOM 79 O GLU A 8 3.430 12.089 4.061 1.00 0.00 O ATOM 80 CB GLU A 8 5.347 14.124 2.918 1.00 0.00 C ATOM 81 CG GLU A 8 5.493 13.739 1.437 1.00 0.00 C ATOM 82 CD GLU A 8 6.933 13.450 1.034 1.00 0.00 C ATOM 83 OE1 GLU A 8 7.685 14.413 0.756 1.00 0.00 O ATOM 84 OE2 GLU A 8 7.300 12.254 1.053 1.00 0.00 O ATOM 0 H GLU A 8 7.195 12.029 3.024 1.00 0.00 H new ATOM 0 HA GLU A 8 5.466 13.461 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.333 14.493 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.022 14.956 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.882 12.859 1.234 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.104 14.547 0.818 1.00 0.00 H new ATOM 91 N TYR A 9 5.116 10.658 3.688 1.00 0.00 N ATOM 92 CA TYR A 9 4.289 9.451 3.619 1.00 0.00 C ATOM 93 C TYR A 9 3.413 9.360 4.869 1.00 0.00 C ATOM 94 O TYR A 9 2.224 9.071 4.773 1.00 0.00 O ATOM 95 CB TYR A 9 5.107 8.147 3.474 1.00 0.00 C ATOM 96 CG TYR A 9 6.277 8.115 2.501 1.00 0.00 C ATOM 97 CD1 TYR A 9 6.321 8.939 1.358 1.00 0.00 C ATOM 98 CD2 TYR A 9 7.322 7.201 2.736 1.00 0.00 C ATOM 99 CE1 TYR A 9 7.418 8.867 0.480 1.00 0.00 C ATOM 100 CE2 TYR A 9 8.396 7.103 1.838 1.00 0.00 C ATOM 101 CZ TYR A 9 8.457 7.937 0.705 1.00 0.00 C ATOM 102 OH TYR A 9 9.509 7.818 -0.151 1.00 0.00 O ATOM 0 H TYR A 9 6.113 10.474 3.576 1.00 0.00 H new ATOM 0 HA TYR A 9 3.681 9.543 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.492 7.889 4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.416 7.355 3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.512 9.626 1.156 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.297 6.571 3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.466 9.528 -0.373 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.181 6.383 2.017 1.00 0.00 H new ATOM 0 HH TYR A 9 9.261 8.182 -1.027 1.00 0.00 H new ATOM 112 N GLY A 10 3.983 9.670 6.033 1.00 0.00 N ATOM 113 CA GLY A 10 3.314 9.575 7.314 1.00 0.00 C ATOM 114 C GLY A 10 2.276 10.668 7.550 1.00 0.00 C ATOM 115 O GLY A 10 1.597 10.640 8.572 1.00 0.00 O ATOM 0 H GLY A 10 4.945 10.001 6.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.827 8.603 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.060 9.619 8.107 1.00 0.00 H new ATOM 119 N ARG A 11 2.145 11.645 6.644 1.00 0.00 N ATOM 120 CA ARG A 11 1.059 12.614 6.682 1.00 0.00 C ATOM 121 C ARG A 11 -0.167 12.113 5.925 1.00 0.00 C ATOM 122 O ARG A 11 -1.205 12.773 5.963 1.00 0.00 O ATOM 123 CB ARG A 11 1.531 13.947 6.089 1.00 0.00 C ATOM 124 CG ARG A 11 2.757 14.491 6.826 1.00 0.00 C ATOM 125 CD ARG A 11 2.784 16.020 6.856 1.00 0.00 C ATOM 126 NE ARG A 11 3.543 16.507 8.018 1.00 0.00 N ATOM 127 CZ ARG A 11 4.013 17.741 8.208 1.00 0.00 C ATOM 128 NH1 ARG A 11 3.961 18.656 7.250 1.00 0.00 N ATOM 129 NH2 ARG A 11 4.565 18.048 9.369 1.00 0.00 N ATOM 0 H ARG A 11 2.792 11.780 5.867 1.00 0.00 H new ATOM 0 HA ARG A 11 0.772 12.757 7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.771 13.812 5.034 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.722 14.676 6.141 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.763 14.109 7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.662 14.123 6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.234 16.398 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.765 16.405 6.894 1.00 0.00 H new ATOM 0 HE ARG A 11 3.730 15.829 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.555 18.423 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.327 19.593 7.419 1.00 0.00 H new ATOM 0 HH21 ARG A 11 4.627 17.345 10.106 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.929 18.988 9.528 1.00 0.00 H new ATOM 143 N TYR A 12 -0.031 11.014 5.183 1.00 0.00 N ATOM 144 CA TYR A 12 -1.030 10.481 4.274 1.00 0.00 C ATOM 145 C TYR A 12 -1.453 9.092 4.737 1.00 0.00 C ATOM 146 O TYR A 12 -2.639 8.775 4.711 1.00 0.00 O ATOM 147 CB TYR A 12 -0.435 10.390 2.863 1.00 0.00 C ATOM 148 CG TYR A 12 0.337 11.589 2.345 1.00 0.00 C ATOM 149 CD1 TYR A 12 0.082 12.908 2.764 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.356 11.350 1.419 1.00 0.00 C ATOM 151 CE1 TYR A 12 0.849 13.980 2.274 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.092 12.415 0.881 1.00 0.00 C ATOM 153 CZ TYR A 12 1.838 13.734 1.297 1.00 0.00 C ATOM 154 OH TYR A 12 2.560 14.730 0.723 1.00 0.00 O ATOM 0 H TYR A 12 0.819 10.450 5.205 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.899 11.138 4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.229 9.526 2.834 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.250 10.190 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.712 13.099 3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.578 10.338 1.116 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.683 14.982 2.642 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.857 12.222 0.144 1.00 0.00 H new ATOM 0 HH TYR A 12 2.658 15.470 1.358 1.00 0.00 H new ATOM 164 N PHE A 13 -0.495 8.261 5.153 1.00 0.00 N ATOM 165 CA PHE A 13 -0.723 6.967 5.769 1.00 0.00 C ATOM 166 C PHE A 13 -0.586 7.130 7.283 1.00 0.00 C ATOM 167 O PHE A 13 0.245 7.905 7.762 1.00 0.00 O ATOM 168 CB PHE A 13 0.315 5.963 5.244 1.00 0.00 C ATOM 169 CG PHE A 13 0.377 5.793 3.739 1.00 0.00 C ATOM 170 CD1 PHE A 13 -0.584 4.993 3.096 1.00 0.00 C ATOM 171 CD2 PHE A 13 1.419 6.376 2.987 1.00 0.00 C ATOM 172 CE1 PHE A 13 -0.531 4.807 1.707 1.00 0.00 C ATOM 173 CE2 PHE A 13 1.464 6.208 1.593 1.00 0.00 C ATOM 174 CZ PHE A 13 0.460 5.462 0.964 1.00 0.00 C ATOM 0 H PHE A 13 0.496 8.486 5.063 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.718 6.595 5.527 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.299 6.272 5.595 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.108 4.991 5.691 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.365 4.521 3.673 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.184 6.953 3.485 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.247 4.165 1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.262 6.648 1.014 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.449 5.390 -0.114 1.00 0.00 H new ATOM 184 N GLU A 14 -1.362 6.358 8.042 1.00 0.00 N ATOM 185 CA GLU A 14 -1.383 6.378 9.497 1.00 0.00 C ATOM 186 C GLU A 14 -1.594 4.941 9.963 1.00 0.00 C ATOM 187 O GLU A 14 -2.130 4.129 9.214 1.00 0.00 O ATOM 188 CB GLU A 14 -2.526 7.296 9.945 1.00 0.00 C ATOM 189 CG GLU A 14 -2.689 7.478 11.456 1.00 0.00 C ATOM 190 CD GLU A 14 -3.922 8.328 11.730 1.00 0.00 C ATOM 191 OE1 GLU A 14 -3.861 9.552 11.483 1.00 0.00 O ATOM 192 OE2 GLU A 14 -4.980 7.752 12.060 1.00 0.00 O ATOM 0 H GLU A 14 -2.013 5.681 7.645 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.456 6.759 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.375 8.277 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.460 6.902 9.544 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.787 6.507 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.803 7.956 11.874 1.00 0.00 H new ATOM 199 N GLN A 15 -1.212 4.641 11.199 1.00 0.00 N ATOM 200 CA GLN A 15 -1.030 3.298 11.751 1.00 0.00 C ATOM 201 C GLN A 15 -2.247 2.375 11.647 1.00 0.00 C ATOM 202 O GLN A 15 -2.065 1.169 11.726 1.00 0.00 O ATOM 203 CB GLN A 15 -0.617 3.467 13.218 1.00 0.00 C ATOM 204 CG GLN A 15 -0.129 2.172 13.878 1.00 0.00 C ATOM 205 CD GLN A 15 0.418 2.390 15.284 1.00 0.00 C ATOM 206 OE1 GLN A 15 1.293 3.227 15.513 1.00 0.00 O ATOM 207 NE2 GLN A 15 -0.059 1.630 16.255 1.00 0.00 N ATOM 0 H GLN A 15 -1.009 5.368 11.884 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.268 2.800 11.151 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.174 4.215 13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -1.466 3.854 13.782 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -0.953 1.460 13.921 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.647 1.724 13.257 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -0.783 0.940 16.054 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.297 1.733 17.205 1.00 0.00 H new ATOM 216 N LEU A 16 -3.455 2.907 11.468 1.00 0.00 N ATOM 217 CA LEU A 16 -4.705 2.157 11.391 1.00 0.00 C ATOM 218 C LEU A 16 -5.493 2.501 10.118 1.00 0.00 C ATOM 219 O LEU A 16 -6.653 2.088 9.990 1.00 0.00 O ATOM 220 CB LEU A 16 -5.588 2.464 12.620 1.00 0.00 C ATOM 221 CG LEU A 16 -4.964 2.305 14.017 1.00 0.00 C ATOM 222 CD1 LEU A 16 -6.006 2.628 15.094 1.00 0.00 C ATOM 223 CD2 LEU A 16 -4.445 0.889 14.262 1.00 0.00 C ATOM 0 H LEU A 16 -3.594 3.913 11.369 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.447 1.098 11.368 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.943 3.491 12.528 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.465 1.818 12.571 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.123 2.996 14.068 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.557 2.513 16.081 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.352 3.654 14.970 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.851 1.946 14.999 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.014 0.827 15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.269 0.180 14.178 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.682 0.648 13.522 1.00 0.00 H new ATOM 235 N GLN A 17 -4.932 3.306 9.204 1.00 0.00 N ATOM 236 CA GLN A 17 -5.625 3.675 7.970 1.00 0.00 C ATOM 237 C GLN A 17 -5.678 2.485 7.005 1.00 0.00 C ATOM 238 O GLN A 17 -5.191 1.397 7.304 1.00 0.00 O ATOM 239 CB GLN A 17 -5.029 4.942 7.314 1.00 0.00 C ATOM 240 CG GLN A 17 -6.181 5.916 6.992 1.00 0.00 C ATOM 241 CD GLN A 17 -5.818 7.143 6.163 1.00 0.00 C ATOM 242 OE1 GLN A 17 -6.661 7.655 5.437 1.00 0.00 O ATOM 243 NE2 GLN A 17 -4.599 7.636 6.257 1.00 0.00 N ATOM 0 H GLN A 17 -4.001 3.712 9.300 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.651 3.935 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.311 5.414 7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.490 4.679 6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.958 5.364 6.463 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.615 6.255 7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.915 7.191 6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.340 8.462 5.718 1.00 0.00 H new ATOM 252 N LYS A 18 -6.278 2.677 5.828 1.00 0.00 N ATOM 253 CA LYS A 18 -6.504 1.616 4.854 1.00 0.00 C ATOM 254 C LYS A 18 -5.713 1.901 3.596 1.00 0.00 C ATOM 255 O LYS A 18 -5.819 2.991 3.039 1.00 0.00 O ATOM 256 CB LYS A 18 -8.011 1.465 4.567 1.00 0.00 C ATOM 257 CG LYS A 18 -8.677 0.447 5.503 1.00 0.00 C ATOM 258 CD LYS A 18 -9.385 1.191 6.632 1.00 0.00 C ATOM 259 CE LYS A 18 -10.695 1.800 6.120 1.00 0.00 C ATOM 260 NZ LYS A 18 -11.086 2.993 6.901 1.00 0.00 N ATOM 0 H LYS A 18 -6.624 3.587 5.524 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.156 0.666 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.500 2.433 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.153 1.153 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.391 -0.162 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.929 -0.232 5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.590 0.508 7.456 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.738 1.976 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.584 2.073 5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.488 1.054 6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.976 3.377 6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.217 2.728 7.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.340 3.714 6.830 1.00 0.00 H new ATOM 274 N VAL A 19 -4.952 0.915 3.130 1.00 0.00 N ATOM 275 CA VAL A 19 -4.168 0.993 1.903 1.00 0.00 C ATOM 276 C VAL A 19 -4.672 -0.079 0.952 1.00 0.00 C ATOM 277 O VAL A 19 -5.021 -1.187 1.366 1.00 0.00 O ATOM 278 CB VAL A 19 -2.669 0.864 2.194 1.00 0.00 C ATOM 279 CG1 VAL A 19 -2.259 1.980 3.151 1.00 0.00 C ATOM 280 CG2 VAL A 19 -2.228 -0.494 2.744 1.00 0.00 C ATOM 0 H VAL A 19 -4.862 0.018 3.607 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.294 1.969 1.434 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.161 0.951 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.194 1.901 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.465 2.947 2.692 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.825 1.890 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.152 -0.484 2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.745 -0.691 3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.473 -1.275 2.024 1.00 0.00 H new ATOM 290 N ASN A 20 -4.743 0.268 -0.322 1.00 0.00 N ATOM 291 CA ASN A 20 -5.003 -0.667 -1.405 1.00 0.00 C ATOM 292 C ASN A 20 -3.863 -1.696 -1.507 1.00 0.00 C ATOM 293 O ASN A 20 -2.764 -1.444 -0.997 1.00 0.00 O ATOM 294 CB ASN A 20 -5.094 0.192 -2.668 1.00 0.00 C ATOM 295 CG ASN A 20 -5.760 -0.420 -3.871 1.00 0.00 C ATOM 296 OD1 ASN A 20 -5.617 0.161 -4.942 1.00 0.00 O ATOM 297 ND2 ASN A 20 -6.452 -1.535 -3.726 1.00 0.00 N ATOM 0 H ASN A 20 -4.619 1.229 -0.640 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.919 -1.237 -1.249 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.629 1.108 -2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.083 0.482 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.906 -1.962 -4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.533 -1.969 -2.807 1.00 0.00 H new ATOM 304 N LEU A 21 -4.089 -2.823 -2.187 1.00 0.00 N ATOM 305 CA LEU A 21 -3.154 -3.940 -2.243 1.00 0.00 C ATOM 306 C LEU A 21 -2.988 -4.403 -3.686 1.00 0.00 C ATOM 307 O LEU A 21 -3.099 -5.598 -3.967 1.00 0.00 O ATOM 308 CB LEU A 21 -3.620 -5.138 -1.395 1.00 0.00 C ATOM 309 CG LEU A 21 -3.827 -4.996 0.113 1.00 0.00 C ATOM 310 CD1 LEU A 21 -4.209 -6.403 0.584 1.00 0.00 C ATOM 311 CD2 LEU A 21 -2.565 -4.515 0.834 1.00 0.00 C ATOM 0 H LEU A 21 -4.943 -2.984 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.207 -3.582 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.565 -5.481 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.895 -5.938 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.589 -4.249 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.377 -6.393 1.661 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.120 -6.721 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.402 -7.097 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.766 -4.431 1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.758 -5.230 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.271 -3.541 0.442 1.00 0.00 H new ATOM 323 N THR A 22 -2.820 -3.484 -4.628 1.00 0.00 N ATOM 324 CA THR A 22 -2.611 -3.864 -6.009 1.00 0.00 C ATOM 325 C THR A 22 -1.270 -4.615 -6.106 1.00 0.00 C ATOM 326 O THR A 22 -0.249 -4.108 -5.634 1.00 0.00 O ATOM 327 CB THR A 22 -2.692 -2.620 -6.899 1.00 0.00 C ATOM 328 OG1 THR A 22 -3.689 -1.726 -6.425 1.00 0.00 O ATOM 329 CG2 THR A 22 -3.002 -2.996 -8.348 1.00 0.00 C ATOM 0 H THR A 22 -2.825 -2.478 -4.458 1.00 0.00 H new ATOM 0 HA THR A 22 -3.387 -4.541 -6.366 1.00 0.00 H new ATOM 0 HB THR A 22 -1.719 -2.130 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.569 -2.153 -6.489 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.053 -2.092 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.216 -3.647 -8.731 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.958 -3.517 -8.392 1.00 0.00 H new ATOM 337 N VAL A 23 -1.270 -5.833 -6.655 1.00 0.00 N ATOM 338 CA VAL A 23 -0.090 -6.667 -6.903 1.00 0.00 C ATOM 339 C VAL A 23 -0.168 -7.188 -8.334 1.00 0.00 C ATOM 340 O VAL A 23 -1.184 -7.778 -8.702 1.00 0.00 O ATOM 341 CB VAL A 23 -0.050 -7.866 -5.932 1.00 0.00 C ATOM 342 CG1 VAL A 23 1.260 -8.651 -6.057 1.00 0.00 C ATOM 343 CG2 VAL A 23 -0.183 -7.435 -4.472 1.00 0.00 C ATOM 0 H VAL A 23 -2.134 -6.286 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 23 0.810 -6.071 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.898 -8.491 -6.212 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.251 -9.487 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.362 -9.029 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.100 -7.996 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.149 -8.314 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.637 -6.765 -4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.132 -6.918 -4.330 1.00 0.00 H new ATOM 353 N ARG A 24 0.875 -7.002 -9.148 1.00 0.00 N ATOM 354 CA ARG A 24 0.943 -7.616 -10.476 1.00 0.00 C ATOM 355 C ARG A 24 0.999 -9.139 -10.340 1.00 0.00 C ATOM 356 O ARG A 24 1.688 -9.629 -9.457 1.00 0.00 O ATOM 357 CB ARG A 24 2.182 -7.070 -11.208 1.00 0.00 C ATOM 358 CG ARG A 24 3.476 -7.786 -10.808 1.00 0.00 C ATOM 359 CD ARG A 24 4.745 -6.985 -11.102 1.00 0.00 C ATOM 360 NE ARG A 24 5.652 -7.631 -12.058 1.00 0.00 N ATOM 361 CZ ARG A 24 6.279 -8.804 -11.909 1.00 0.00 C ATOM 362 NH1 ARG A 24 6.017 -9.628 -10.897 1.00 0.00 N ATOM 363 NH2 ARG A 24 7.178 -9.152 -12.809 1.00 0.00 N ATOM 0 H ARG A 24 1.685 -6.430 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 24 0.055 -7.369 -11.057 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.035 -7.170 -12.283 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.282 -6.005 -10.997 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.440 -8.012 -9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.530 -8.739 -11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.463 -6.006 -11.490 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.280 -6.816 -10.167 1.00 0.00 H new ATOM 0 HE ARG A 24 5.823 -7.132 -12.931 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.317 -9.374 -10.200 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.517 -10.514 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.380 -8.533 -13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.671 -10.040 -12.720 1.00 0.00 H new ATOM 377 N LEU A 25 0.368 -9.891 -11.247 1.00 0.00 N ATOM 378 CA LEU A 25 0.362 -11.366 -11.215 1.00 0.00 C ATOM 379 C LEU A 25 0.758 -12.032 -12.533 1.00 0.00 C ATOM 380 O LEU A 25 0.436 -13.193 -12.773 1.00 0.00 O ATOM 381 CB LEU A 25 -1.004 -11.887 -10.757 1.00 0.00 C ATOM 382 CG LEU A 25 -1.376 -11.576 -9.300 1.00 0.00 C ATOM 383 CD1 LEU A 25 -2.692 -12.316 -9.064 1.00 0.00 C ATOM 384 CD2 LEU A 25 -0.304 -12.015 -8.306 1.00 0.00 C ATOM 0 H LEU A 25 -0.156 -9.498 -12.029 1.00 0.00 H new ATOM 0 HA LEU A 25 1.134 -11.641 -10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.771 -11.466 -11.407 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.027 -12.968 -10.897 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.468 -10.501 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.027 -12.145 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.446 -11.948 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.542 -13.384 -9.222 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.624 -11.769 -7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.152 -13.091 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.630 -11.499 -8.527 1.00 0.00 H new ATOM 396 N GLY A 26 1.403 -11.299 -13.430 1.00 0.00 N ATOM 397 CA GLY A 26 1.759 -11.814 -14.737 1.00 0.00 C ATOM 398 C GLY A 26 1.662 -10.651 -15.691 1.00 0.00 C ATOM 399 O GLY A 26 2.505 -9.755 -15.629 1.00 0.00 O ATOM 0 H GLY A 26 1.692 -10.334 -13.269 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.767 -12.228 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.086 -12.618 -15.035 1.00 0.00 H new ATOM 403 N ASP A 27 0.582 -10.617 -16.467 1.00 0.00 N ATOM 404 CA ASP A 27 0.209 -9.497 -17.321 1.00 0.00 C ATOM 405 C ASP A 27 -1.259 -9.209 -17.003 1.00 0.00 C ATOM 406 O ASP A 27 -1.585 -8.457 -16.087 1.00 0.00 O ATOM 407 CB ASP A 27 0.409 -9.862 -18.812 1.00 0.00 C ATOM 408 CG ASP A 27 1.858 -9.842 -19.286 1.00 0.00 C ATOM 409 OD1 ASP A 27 2.555 -8.826 -19.096 1.00 0.00 O ATOM 410 OD2 ASP A 27 2.303 -10.838 -19.907 1.00 0.00 O ATOM 0 H ASP A 27 -0.077 -11.394 -16.519 1.00 0.00 H new ATOM 0 HA ASP A 27 0.828 -8.618 -17.139 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.002 -10.856 -18.986 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.168 -9.167 -19.422 1.00 0.00 H new ATOM 415 N THR A 28 -2.157 -9.923 -17.673 1.00 0.00 N ATOM 416 CA THR A 28 -3.603 -9.835 -17.613 1.00 0.00 C ATOM 417 C THR A 28 -4.124 -10.571 -16.372 1.00 0.00 C ATOM 418 O THR A 28 -4.806 -11.595 -16.474 1.00 0.00 O ATOM 419 CB THR A 28 -4.128 -10.411 -18.948 1.00 0.00 C ATOM 420 OG1 THR A 28 -3.370 -11.552 -19.323 1.00 0.00 O ATOM 421 CG2 THR A 28 -3.971 -9.404 -20.088 1.00 0.00 C ATOM 0 H THR A 28 -1.859 -10.643 -18.331 1.00 0.00 H new ATOM 0 HA THR A 28 -3.960 -8.811 -17.505 1.00 0.00 H new ATOM 0 HB THR A 28 -5.178 -10.656 -18.791 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.713 -11.909 -20.169 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.349 -9.839 -21.013 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.534 -8.500 -19.855 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.917 -9.153 -20.210 1.00 0.00 H new ATOM 429 N GLY A 29 -3.764 -10.096 -15.183 1.00 0.00 N ATOM 430 CA GLY A 29 -4.217 -10.646 -13.923 1.00 0.00 C ATOM 431 C GLY A 29 -4.332 -9.546 -12.913 1.00 0.00 C ATOM 432 O GLY A 29 -5.333 -8.833 -12.854 1.00 0.00 O ATOM 0 H GLY A 29 -3.135 -9.300 -15.074 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.181 -11.137 -14.054 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.518 -11.405 -13.572 1.00 0.00 H new ATOM 436 N SER A 30 -3.244 -9.441 -12.165 1.00 0.00 N ATOM 437 CA SER A 30 -3.095 -8.709 -10.933 1.00 0.00 C ATOM 438 C SER A 30 -4.097 -9.144 -9.842 1.00 0.00 C ATOM 439 O SER A 30 -5.031 -9.917 -10.085 1.00 0.00 O ATOM 440 CB SER A 30 -3.012 -7.203 -11.218 1.00 0.00 C ATOM 441 OG SER A 30 -2.426 -6.896 -12.480 1.00 0.00 O ATOM 0 H SER A 30 -2.377 -9.906 -12.433 1.00 0.00 H new ATOM 0 HA SER A 30 -2.140 -8.970 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.015 -6.778 -11.179 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.431 -6.723 -10.430 1.00 0.00 H new ATOM 0 HG SER A 30 -2.403 -5.924 -12.602 1.00 0.00 H new ATOM 447 N PHE A 31 -3.861 -8.708 -8.610 1.00 0.00 N ATOM 448 CA PHE A 31 -4.776 -8.813 -7.486 1.00 0.00 C ATOM 449 C PHE A 31 -4.862 -7.413 -6.908 1.00 0.00 C ATOM 450 O PHE A 31 -3.890 -6.666 -6.994 1.00 0.00 O ATOM 451 CB PHE A 31 -4.247 -9.829 -6.465 1.00 0.00 C ATOM 452 CG PHE A 31 -5.072 -9.944 -5.192 1.00 0.00 C ATOM 453 CD1 PHE A 31 -4.827 -9.080 -4.105 1.00 0.00 C ATOM 454 CD2 PHE A 31 -6.105 -10.896 -5.098 1.00 0.00 C ATOM 455 CE1 PHE A 31 -5.605 -9.169 -2.936 1.00 0.00 C ATOM 456 CE2 PHE A 31 -6.882 -10.986 -3.928 1.00 0.00 C ATOM 457 CZ PHE A 31 -6.634 -10.122 -2.847 1.00 0.00 C ATOM 0 H PHE A 31 -2.985 -8.251 -8.359 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.763 -9.171 -7.779 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.199 -10.809 -6.940 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.227 -9.555 -6.196 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.038 -8.346 -4.170 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.302 -11.560 -5.927 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.411 -8.505 -2.107 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.671 -11.721 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.233 -10.190 -1.951 1.00 0.00 H new ATOM 467 N ASP A 32 -5.996 -7.055 -6.329 1.00 0.00 N ATOM 468 CA ASP A 32 -6.226 -5.768 -5.707 1.00 0.00 C ATOM 469 C ASP A 32 -7.232 -5.976 -4.590 1.00 0.00 C ATOM 470 O ASP A 32 -8.316 -6.526 -4.801 1.00 0.00 O ATOM 471 CB ASP A 32 -6.715 -4.777 -6.754 1.00 0.00 C ATOM 472 CG ASP A 32 -7.012 -3.412 -6.169 1.00 0.00 C ATOM 473 OD1 ASP A 32 -7.907 -3.252 -5.316 1.00 0.00 O ATOM 474 OD2 ASP A 32 -6.293 -2.453 -6.530 1.00 0.00 O ATOM 0 H ASP A 32 -6.805 -7.674 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.311 -5.352 -5.284 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.961 -4.677 -7.535 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.615 -5.169 -7.228 1.00 0.00 H new ATOM 479 N GLY A 33 -6.825 -5.589 -3.387 1.00 0.00 N ATOM 480 CA GLY A 33 -7.617 -5.724 -2.167 1.00 0.00 C ATOM 481 C GLY A 33 -7.505 -4.487 -1.285 1.00 0.00 C ATOM 482 O GLY A 33 -6.792 -3.533 -1.622 1.00 0.00 O ATOM 0 H GLY A 33 -5.913 -5.162 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.662 -5.892 -2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.283 -6.600 -1.611 1.00 0.00 H new ATOM 486 N THR A 34 -8.173 -4.525 -0.134 1.00 0.00 N ATOM 487 CA THR A 34 -7.983 -3.588 0.959 1.00 0.00 C ATOM 488 C THR A 34 -7.121 -4.284 2.025 1.00 0.00 C ATOM 489 O THR A 34 -7.025 -5.510 2.045 1.00 0.00 O ATOM 490 CB THR A 34 -9.359 -3.150 1.521 1.00 0.00 C ATOM 491 OG1 THR A 34 -10.339 -4.170 1.419 1.00 0.00 O ATOM 492 CG2 THR A 34 -9.925 -1.899 0.842 1.00 0.00 C ATOM 0 H THR A 34 -8.881 -5.232 0.065 1.00 0.00 H new ATOM 0 HA THR A 34 -7.475 -2.684 0.623 1.00 0.00 H new ATOM 0 HB THR A 34 -9.153 -2.929 2.568 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.838 -4.229 2.260 1.00 0.00 H new ATOM 0 HG21 THR A 34 -10.889 -1.650 1.285 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.236 -1.066 0.981 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.053 -2.090 -0.223 1.00 0.00 H new ATOM 500 N ALA A 35 -6.512 -3.518 2.927 1.00 0.00 N ATOM 501 CA ALA A 35 -5.987 -3.954 4.208 1.00 0.00 C ATOM 502 C ALA A 35 -6.053 -2.807 5.204 1.00 0.00 C ATOM 503 O ALA A 35 -6.099 -1.642 4.786 1.00 0.00 O ATOM 504 CB ALA A 35 -4.533 -4.396 4.078 1.00 0.00 C ATOM 0 H ALA A 35 -6.366 -2.521 2.770 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.590 -4.795 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.162 -4.718 5.051 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.466 -5.224 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.930 -3.562 3.718 1.00 0.00 H new ATOM 510 N ALA A 36 -5.994 -3.129 6.500 1.00 0.00 N ATOM 511 CA ALA A 36 -5.724 -2.153 7.543 1.00 0.00 C ATOM 512 C ALA A 36 -4.209 -2.102 7.706 1.00 0.00 C ATOM 513 O ALA A 36 -3.582 -3.161 7.733 1.00 0.00 O ATOM 514 CB ALA A 36 -6.389 -2.592 8.852 1.00 0.00 C ATOM 0 H ALA A 36 -6.133 -4.077 6.849 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.121 -1.171 7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.183 -1.856 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.466 -2.672 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.992 -3.561 9.155 1.00 0.00 H new ATOM 520 N ILE A 37 -3.629 -0.905 7.808 1.00 0.00 N ATOM 521 CA ILE A 37 -2.308 -0.710 8.391 1.00 0.00 C ATOM 522 C ILE A 37 -2.410 -1.173 9.851 1.00 0.00 C ATOM 523 O ILE A 37 -3.487 -1.145 10.452 1.00 0.00 O ATOM 524 CB ILE A 37 -1.856 0.772 8.262 1.00 0.00 C ATOM 525 CG1 ILE A 37 -1.840 1.232 6.780 1.00 0.00 C ATOM 526 CG2 ILE A 37 -0.445 0.998 8.847 1.00 0.00 C ATOM 527 CD1 ILE A 37 -1.699 2.748 6.579 1.00 0.00 C ATOM 0 H ILE A 37 -4.067 -0.042 7.486 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.546 -1.288 7.868 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.582 1.357 8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.017 0.733 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.761 0.900 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.169 2.047 8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.442 0.732 9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.274 0.375 8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.697 2.975 5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.535 3.258 7.057 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.764 3.089 7.024 1.00 0.00 H new ATOM 539 N THR A 38 -1.278 -1.593 10.403 1.00 0.00 N ATOM 540 CA THR A 38 -1.154 -2.081 11.766 1.00 0.00 C ATOM 541 C THR A 38 0.027 -1.405 12.466 1.00 0.00 C ATOM 542 O THR A 38 -0.085 -1.060 13.644 1.00 0.00 O ATOM 543 CB THR A 38 -1.024 -3.615 11.729 1.00 0.00 C ATOM 544 OG1 THR A 38 0.112 -4.009 10.979 1.00 0.00 O ATOM 545 CG2 THR A 38 -2.272 -4.236 11.095 1.00 0.00 C ATOM 0 H THR A 38 -0.393 -1.602 9.895 1.00 0.00 H new ATOM 0 HA THR A 38 -2.041 -1.829 12.347 1.00 0.00 H new ATOM 0 HB THR A 38 -0.915 -3.964 12.756 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.203 -3.429 10.194 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.168 -5.321 11.074 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.150 -3.967 11.681 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.387 -3.863 10.077 1.00 0.00 H new ATOM 553 N SER A 39 1.141 -1.193 11.758 1.00 0.00 N ATOM 554 CA SER A 39 2.391 -0.679 12.302 1.00 0.00 C ATOM 555 C SER A 39 3.141 0.039 11.179 1.00 0.00 C ATOM 556 O SER A 39 3.421 -0.571 10.146 1.00 0.00 O ATOM 557 CB SER A 39 3.196 -1.872 12.846 1.00 0.00 C ATOM 558 OG SER A 39 2.492 -2.487 13.914 1.00 0.00 O ATOM 0 H SER A 39 1.194 -1.383 10.757 1.00 0.00 H new ATOM 0 HA SER A 39 2.224 0.030 13.113 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.371 -2.596 12.050 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.174 -1.535 13.191 1.00 0.00 H new ATOM 0 HG SER A 39 3.010 -3.246 14.253 1.00 0.00 H new ATOM 564 N LEU A 40 3.495 1.315 11.339 1.00 0.00 N ATOM 565 CA LEU A 40 4.055 2.164 10.279 1.00 0.00 C ATOM 566 C LEU A 40 5.406 2.725 10.729 1.00 0.00 C ATOM 567 O LEU A 40 5.584 3.049 11.902 1.00 0.00 O ATOM 568 CB LEU A 40 3.059 3.302 9.993 1.00 0.00 C ATOM 569 CG LEU A 40 2.721 3.535 8.513 1.00 0.00 C ATOM 570 CD1 LEU A 40 1.550 4.508 8.444 1.00 0.00 C ATOM 571 CD2 LEU A 40 3.870 4.141 7.708 1.00 0.00 C ATOM 0 H LEU A 40 3.399 1.802 12.230 1.00 0.00 H new ATOM 0 HA LEU A 40 4.215 1.585 9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.133 3.093 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.464 4.227 10.404 1.00 0.00 H new ATOM 0 HG LEU A 40 2.496 2.560 8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.290 4.691 7.401 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.692 4.082 8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.830 5.449 8.918 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.557 4.276 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.143 5.106 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.730 3.473 7.742 1.00 0.00 H new ATOM 583 N LYS A 41 6.375 2.846 9.826 1.00 0.00 N ATOM 584 CA LYS A 41 7.637 3.537 10.023 1.00 0.00 C ATOM 585 C LYS A 41 7.935 4.406 8.796 1.00 0.00 C ATOM 586 O LYS A 41 7.078 4.605 7.933 1.00 0.00 O ATOM 587 CB LYS A 41 8.734 2.505 10.318 1.00 0.00 C ATOM 588 CG LYS A 41 9.669 3.034 11.411 1.00 0.00 C ATOM 589 CD LYS A 41 10.975 2.245 11.426 1.00 0.00 C ATOM 590 CE LYS A 41 11.783 2.650 12.655 1.00 0.00 C ATOM 591 NZ LYS A 41 13.197 2.249 12.550 1.00 0.00 N ATOM 0 H LYS A 41 6.293 2.443 8.892 1.00 0.00 H new ATOM 0 HA LYS A 41 7.591 4.208 10.881 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.284 1.564 10.636 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.302 2.296 9.411 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.877 4.090 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.181 2.959 12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.769 1.175 11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.545 2.442 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.723 3.730 12.787 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.343 2.195 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.706 2.545 13.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.258 1.216 12.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.626 2.703 11.718 1.00 0.00 H new ATOM 605 N GLY A 42 9.149 4.951 8.708 1.00 0.00 N ATOM 606 CA GLY A 42 9.450 6.058 7.816 1.00 0.00 C ATOM 607 C GLY A 42 9.200 5.786 6.341 1.00 0.00 C ATOM 608 O GLY A 42 8.611 6.609 5.650 1.00 0.00 O ATOM 0 H GLY A 42 9.948 4.633 9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.853 6.919 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.496 6.335 7.946 1.00 0.00 H new ATOM 612 N SER A 43 9.639 4.633 5.870 1.00 0.00 N ATOM 613 CA SER A 43 9.416 4.107 4.525 1.00 0.00 C ATOM 614 C SER A 43 9.149 2.621 4.632 1.00 0.00 C ATOM 615 O SER A 43 9.513 1.862 3.748 1.00 0.00 O ATOM 616 CB SER A 43 10.605 4.422 3.613 1.00 0.00 C ATOM 617 OG SER A 43 11.848 4.357 4.293 1.00 0.00 O ATOM 0 H SER A 43 10.193 3.998 6.445 1.00 0.00 H new ATOM 0 HA SER A 43 8.549 4.586 4.070 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.614 3.720 2.779 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.479 5.418 3.189 1.00 0.00 H new ATOM 0 HG SER A 43 12.523 4.857 3.789 1.00 0.00 H new ATOM 623 N LEU A 44 8.482 2.215 5.704 1.00 0.00 N ATOM 624 CA LEU A 44 8.063 0.839 5.903 1.00 0.00 C ATOM 625 C LEU A 44 6.689 0.884 6.537 1.00 0.00 C ATOM 626 O LEU A 44 6.445 1.766 7.346 1.00 0.00 O ATOM 627 CB LEU A 44 9.085 0.123 6.808 1.00 0.00 C ATOM 628 CG LEU A 44 9.313 -1.396 6.587 1.00 0.00 C ATOM 629 CD1 LEU A 44 8.962 -2.174 7.857 1.00 0.00 C ATOM 630 CD2 LEU A 44 8.649 -2.039 5.371 1.00 0.00 C ATOM 0 H LEU A 44 8.215 2.839 6.465 1.00 0.00 H new ATOM 0 HA LEU A 44 8.016 0.285 4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.045 0.626 6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.774 0.267 7.843 1.00 0.00 H new ATOM 0 HG LEU A 44 10.376 -1.461 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.126 -3.238 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.594 -1.835 8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.916 -2.004 8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.893 -3.101 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.568 -1.917 5.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.011 -1.558 4.462 1.00 0.00 H new ATOM 642 N ALA A 45 5.806 -0.053 6.248 1.00 0.00 N ATOM 643 CA ALA A 45 4.576 -0.266 7.002 1.00 0.00 C ATOM 644 C ALA A 45 4.304 -1.766 7.037 1.00 0.00 C ATOM 645 O ALA A 45 4.926 -2.506 6.278 1.00 0.00 O ATOM 646 CB ALA A 45 3.411 0.488 6.353 1.00 0.00 C ATOM 0 H ALA A 45 5.922 -0.701 5.469 1.00 0.00 H new ATOM 0 HA ALA A 45 4.682 0.116 8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 45 2.501 0.318 6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.634 1.555 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.268 0.129 5.334 1.00 0.00 H new ATOM 652 N TRP A 46 3.362 -2.198 7.866 1.00 0.00 N ATOM 653 CA TRP A 46 2.835 -3.550 7.947 1.00 0.00 C ATOM 654 C TRP A 46 1.314 -3.451 7.930 1.00 0.00 C ATOM 655 O TRP A 46 0.765 -2.490 8.489 1.00 0.00 O ATOM 656 CB TRP A 46 3.324 -4.213 9.237 1.00 0.00 C ATOM 657 CG TRP A 46 4.703 -4.787 9.187 1.00 0.00 C ATOM 658 CD1 TRP A 46 5.868 -4.120 9.366 1.00 0.00 C ATOM 659 CD2 TRP A 46 5.059 -6.174 8.902 1.00 0.00 C ATOM 660 NE1 TRP A 46 6.911 -5.029 9.273 1.00 0.00 N ATOM 661 CE2 TRP A 46 6.475 -6.294 8.935 1.00 0.00 C ATOM 662 CE3 TRP A 46 4.320 -7.335 8.597 1.00 0.00 C ATOM 663 CZ2 TRP A 46 7.128 -7.505 8.650 1.00 0.00 C ATOM 664 CZ3 TRP A 46 4.954 -8.552 8.302 1.00 0.00 C ATOM 665 CH2 TRP A 46 6.357 -8.630 8.307 1.00 0.00 C ATOM 0 H TRP A 46 2.920 -1.573 8.540 1.00 0.00 H new ATOM 0 HA TRP A 46 3.176 -4.157 7.109 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.286 -3.477 10.040 1.00 0.00 H new ATOM 0 HB3 TRP A 46 2.628 -5.009 9.501 1.00 0.00 H new ATOM 0 HD1 TRP A 46 5.968 -3.060 9.550 1.00 0.00 H new ATOM 0 HE1 TRP A 46 7.889 -4.790 9.436 1.00 0.00 H new ATOM 0 HE3 TRP A 46 3.241 -7.287 8.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 8.205 -7.571 8.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.364 -9.427 8.072 1.00 0.00 H new ATOM 0 HH2 TRP A 46 6.845 -9.557 8.046 1.00 0.00 H new ATOM 676 N LEU A 47 0.654 -4.406 7.262 1.00 0.00 N ATOM 677 CA LEU A 47 -0.794 -4.504 7.129 1.00 0.00 C ATOM 678 C LEU A 47 -1.268 -5.900 7.575 1.00 0.00 C ATOM 679 O LEU A 47 -0.476 -6.702 8.085 1.00 0.00 O ATOM 680 CB LEU A 47 -1.268 -4.204 5.687 1.00 0.00 C ATOM 681 CG LEU A 47 -0.484 -3.279 4.743 1.00 0.00 C ATOM 682 CD1 LEU A 47 -0.378 -1.852 5.281 1.00 0.00 C ATOM 683 CD2 LEU A 47 0.866 -3.816 4.261 1.00 0.00 C ATOM 0 H LEU A 47 1.142 -5.161 6.781 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.239 -3.747 7.775 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.358 -5.165 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.273 -3.790 5.767 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.095 -3.252 3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.185 -1.239 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.377 -1.435 5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.134 -1.863 6.243 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.334 -3.085 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.513 -3.997 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.714 -4.749 3.718 1.00 0.00 H new ATOM 695 N GLU A 48 -2.565 -6.201 7.416 1.00 0.00 N ATOM 696 CA GLU A 48 -3.153 -7.475 7.855 1.00 0.00 C ATOM 697 C GLU A 48 -4.349 -7.981 7.053 1.00 0.00 C ATOM 698 O GLU A 48 -5.156 -8.766 7.561 1.00 0.00 O ATOM 699 CB GLU A 48 -3.450 -7.403 9.357 1.00 0.00 C ATOM 700 CG GLU A 48 -4.585 -6.445 9.737 1.00 0.00 C ATOM 701 CD GLU A 48 -4.941 -6.523 11.229 1.00 0.00 C ATOM 702 OE1 GLU A 48 -4.119 -7.048 12.023 1.00 0.00 O ATOM 703 OE2 GLU A 48 -6.057 -6.110 11.616 1.00 0.00 O ATOM 0 H GLU A 48 -3.236 -5.568 6.980 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.399 -8.235 7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.701 -8.402 9.713 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.543 -7.097 9.879 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.294 -5.424 9.488 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.468 -6.678 9.143 1.00 0.00 H new ATOM 710 N LEU A 49 -4.423 -7.588 5.784 1.00 0.00 N ATOM 711 CA LEU A 49 -5.588 -7.738 4.912 1.00 0.00 C ATOM 712 C LEU A 49 -6.836 -7.058 5.482 1.00 0.00 C ATOM 713 O LEU A 49 -6.770 -6.336 6.482 1.00 0.00 O ATOM 714 CB LEU A 49 -5.813 -9.218 4.507 1.00 0.00 C ATOM 715 CG LEU A 49 -5.289 -9.487 3.093 1.00 0.00 C ATOM 716 CD1 LEU A 49 -5.382 -10.961 2.718 1.00 0.00 C ATOM 717 CD2 LEU A 49 -6.122 -8.787 2.011 1.00 0.00 C ATOM 0 H LEU A 49 -3.639 -7.136 5.313 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.374 -7.204 3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.308 -9.873 5.216 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.876 -9.454 4.556 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.262 -9.123 3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.999 -11.104 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.791 -11.552 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.423 -11.282 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.706 -9.012 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.152 -9.141 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.101 -7.710 2.176 1.00 0.00 H new ATOM 729 N PHE A 50 -7.958 -7.190 4.780 1.00 0.00 N ATOM 730 CA PHE A 50 -9.270 -6.751 5.213 1.00 0.00 C ATOM 731 C PHE A 50 -10.185 -7.965 5.119 1.00 0.00 C ATOM 732 O PHE A 50 -10.195 -8.669 4.107 1.00 0.00 O ATOM 733 CB PHE A 50 -9.768 -5.607 4.310 1.00 0.00 C ATOM 734 CG PHE A 50 -10.228 -4.346 5.013 1.00 0.00 C ATOM 735 CD1 PHE A 50 -9.377 -3.685 5.915 1.00 0.00 C ATOM 736 CD2 PHE A 50 -11.470 -3.772 4.689 1.00 0.00 C ATOM 737 CE1 PHE A 50 -9.771 -2.470 6.501 1.00 0.00 C ATOM 738 CE2 PHE A 50 -11.882 -2.580 5.307 1.00 0.00 C ATOM 739 CZ PHE A 50 -11.042 -1.941 6.229 1.00 0.00 C ATOM 0 H PHE A 50 -7.972 -7.624 3.857 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.249 -6.366 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -8.966 -5.341 3.622 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.594 -5.983 3.707 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.416 -4.113 6.159 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -12.110 -4.250 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.096 -1.944 7.160 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -12.847 -2.156 5.072 1.00 0.00 H new ATOM 0 HZ PHE A 50 -11.372 -1.043 6.729 1.00 0.00 H new ATOM 749 N GLY A 51 -10.984 -8.187 6.155 1.00 0.00 N ATOM 750 CA GLY A 51 -12.103 -9.098 6.093 1.00 0.00 C ATOM 751 C GLY A 51 -11.668 -10.547 5.954 1.00 0.00 C ATOM 752 O GLY A 51 -10.804 -11.037 6.687 1.00 0.00 O ATOM 0 H GLY A 51 -10.868 -7.735 7.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -12.707 -8.988 6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.739 -8.830 5.249 1.00 0.00 H new ATOM 756 N ALA A 52 -12.326 -11.253 5.038 1.00 0.00 N ATOM 757 CA ALA A 52 -12.139 -12.674 4.800 1.00 0.00 C ATOM 758 C ALA A 52 -11.907 -12.974 3.322 1.00 0.00 C ATOM 759 O ALA A 52 -12.212 -14.081 2.856 1.00 0.00 O ATOM 760 CB ALA A 52 -13.340 -13.435 5.355 1.00 0.00 C ATOM 0 H ALA A 52 -13.025 -10.835 4.424 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.240 -13.007 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.207 -14.503 5.180 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.424 -13.251 6.426 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.248 -13.096 4.856 1.00 0.00 H new ATOM 766 N GLU A 53 -11.444 -11.981 2.567 1.00 0.00 N ATOM 767 CA GLU A 53 -10.936 -12.171 1.220 1.00 0.00 C ATOM 768 C GLU A 53 -9.420 -12.150 1.306 1.00 0.00 C ATOM 769 O GLU A 53 -8.859 -11.425 2.127 1.00 0.00 O ATOM 770 CB GLU A 53 -11.424 -11.060 0.283 1.00 0.00 C ATOM 771 CG GLU A 53 -12.906 -11.254 -0.023 1.00 0.00 C ATOM 772 CD GLU A 53 -13.449 -10.183 -0.964 1.00 0.00 C ATOM 773 OE1 GLU A 53 -13.112 -10.235 -2.169 1.00 0.00 O ATOM 774 OE2 GLU A 53 -14.245 -9.321 -0.520 1.00 0.00 O ATOM 0 H GLU A 53 -11.413 -11.011 2.882 1.00 0.00 H new ATOM 0 HA GLU A 53 -11.295 -13.117 0.814 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.263 -10.086 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.848 -11.073 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.057 -12.237 -0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -13.472 -11.237 0.908 1.00 0.00 H new ATOM 781 N GLN A 54 -8.762 -12.944 0.465 1.00 0.00 N ATOM 782 CA GLN A 54 -7.308 -13.064 0.459 1.00 0.00 C ATOM 783 C GLN A 54 -6.815 -13.616 -0.885 1.00 0.00 C ATOM 784 O GLN A 54 -7.575 -14.320 -1.561 1.00 0.00 O ATOM 785 CB GLN A 54 -6.858 -13.930 1.653 1.00 0.00 C ATOM 786 CG GLN A 54 -7.447 -15.343 1.704 1.00 0.00 C ATOM 787 CD GLN A 54 -7.187 -15.955 3.076 1.00 0.00 C ATOM 788 OE1 GLN A 54 -8.009 -15.847 3.987 1.00 0.00 O ATOM 789 NE2 GLN A 54 -6.028 -16.566 3.258 1.00 0.00 N ATOM 0 H GLN A 54 -9.225 -13.524 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.857 -12.078 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.771 -14.009 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.122 -13.412 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.518 -15.309 1.507 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.000 -15.963 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -5.365 -16.642 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.798 -16.961 4.170 1.00 0.00 H new ATOM 798 N PRO A 55 -5.561 -13.324 -1.283 1.00 0.00 N ATOM 799 CA PRO A 55 -5.021 -13.757 -2.565 1.00 0.00 C ATOM 800 C PRO A 55 -4.842 -15.276 -2.630 1.00 0.00 C ATOM 801 O PRO A 55 -4.940 -15.966 -1.604 1.00 0.00 O ATOM 802 CB PRO A 55 -3.673 -13.042 -2.717 1.00 0.00 C ATOM 803 CG PRO A 55 -3.280 -12.613 -1.315 1.00 0.00 C ATOM 804 CD PRO A 55 -4.601 -12.490 -0.577 1.00 0.00 C ATOM 0 HA PRO A 55 -5.707 -13.506 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.924 -13.705 -3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.758 -12.182 -3.381 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.627 -13.347 -0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.740 -11.666 -1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.496 -12.814 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.935 -11.453 -0.554 1.00 0.00 H new ATOM 812 N PRO A 56 -4.549 -15.822 -3.821 1.00 0.00 N ATOM 813 CA PRO A 56 -4.096 -17.199 -3.932 1.00 0.00 C ATOM 814 C PRO A 56 -2.830 -17.443 -3.093 1.00 0.00 C ATOM 815 O PRO A 56 -2.032 -16.521 -2.888 1.00 0.00 O ATOM 816 CB PRO A 56 -3.842 -17.435 -5.427 1.00 0.00 C ATOM 817 CG PRO A 56 -3.664 -16.033 -6.001 1.00 0.00 C ATOM 818 CD PRO A 56 -4.540 -15.160 -5.119 1.00 0.00 C ATOM 0 HA PRO A 56 -4.839 -17.896 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.955 -18.047 -5.589 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.678 -17.954 -5.896 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.621 -15.717 -5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.976 -15.986 -7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.140 -14.149 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.548 -15.075 -5.525 1.00 0.00 H new ATOM 826 N PRO A 57 -2.594 -18.696 -2.670 1.00 0.00 N ATOM 827 CA PRO A 57 -1.355 -19.075 -2.005 1.00 0.00 C ATOM 828 C PRO A 57 -0.203 -18.982 -3.004 1.00 0.00 C ATOM 829 O PRO A 57 -0.443 -18.856 -4.208 1.00 0.00 O ATOM 830 CB PRO A 57 -1.579 -20.517 -1.552 1.00 0.00 C ATOM 831 CG PRO A 57 -2.518 -21.070 -2.614 1.00 0.00 C ATOM 832 CD PRO A 57 -3.412 -19.874 -2.930 1.00 0.00 C ATOM 0 HA PRO A 57 -1.103 -18.431 -1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.644 -21.076 -1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.023 -20.563 -0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.975 -21.413 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.093 -21.918 -2.243 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.747 -19.898 -3.967 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.306 -19.877 -2.306 1.00 0.00 H new ATOM 840 N ASN A 58 1.046 -19.075 -2.531 1.00 0.00 N ATOM 841 CA ASN A 58 2.248 -19.168 -3.378 1.00 0.00 C ATOM 842 C ASN A 58 2.221 -18.181 -4.549 1.00 0.00 C ATOM 843 O ASN A 58 2.455 -18.572 -5.696 1.00 0.00 O ATOM 844 CB ASN A 58 2.595 -20.615 -3.792 1.00 0.00 C ATOM 845 CG ASN A 58 1.493 -21.448 -4.441 1.00 0.00 C ATOM 846 OD1 ASN A 58 1.206 -22.538 -3.960 1.00 0.00 O ATOM 847 ND2 ASN A 58 0.858 -21.026 -5.516 1.00 0.00 N ATOM 0 H ASN A 58 1.256 -19.088 -1.533 1.00 0.00 H new ATOM 0 HA ASN A 58 3.082 -18.854 -2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.436 -20.574 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.938 -21.145 -2.904 1.00 0.00 H new ATOM 0 HD21 ASN A 58 0.134 -21.605 -5.941 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.090 -20.120 -5.923 1.00 0.00 H new ATOM 854 N THR A 59 1.840 -16.934 -4.284 1.00 0.00 N ATOM 855 CA THR A 59 1.641 -15.913 -5.301 1.00 0.00 C ATOM 856 C THR A 59 2.210 -14.584 -4.798 1.00 0.00 C ATOM 857 O THR A 59 3.064 -14.000 -5.463 1.00 0.00 O ATOM 858 CB THR A 59 0.146 -15.865 -5.684 1.00 0.00 C ATOM 859 OG1 THR A 59 -0.289 -17.123 -6.177 1.00 0.00 O ATOM 860 CG2 THR A 59 -0.075 -14.851 -6.790 1.00 0.00 C ATOM 0 H THR A 59 1.658 -16.602 -3.337 1.00 0.00 H new ATOM 0 HA THR A 59 2.182 -16.145 -6.218 1.00 0.00 H new ATOM 0 HB THR A 59 -0.412 -15.596 -4.787 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.357 -17.759 -5.435 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.132 -14.824 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.239 -13.865 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.510 -15.134 -7.665 1.00 0.00 H new ATOM 868 N LEU A 60 1.787 -14.115 -3.617 1.00 0.00 N ATOM 869 CA LEU A 60 2.395 -12.953 -2.968 1.00 0.00 C ATOM 870 C LEU A 60 3.866 -13.234 -2.686 1.00 0.00 C ATOM 871 O LEU A 60 4.179 -14.323 -2.201 1.00 0.00 O ATOM 872 CB LEU A 60 1.694 -12.667 -1.631 1.00 0.00 C ATOM 873 CG LEU A 60 0.543 -11.665 -1.724 1.00 0.00 C ATOM 874 CD1 LEU A 60 -0.104 -11.506 -0.354 1.00 0.00 C ATOM 875 CD2 LEU A 60 1.013 -10.267 -2.129 1.00 0.00 C ATOM 0 H LEU A 60 1.018 -14.529 -3.090 1.00 0.00 H new ATOM 0 HA LEU A 60 2.294 -12.094 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.312 -13.604 -1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.431 -12.291 -0.921 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.143 -12.057 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.925 -10.792 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.488 -12.470 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.637 -11.143 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.156 -9.596 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.723 -9.894 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.496 -10.314 -3.105 1.00 0.00 H new ATOM 887 N SER A 61 4.754 -12.264 -2.920 1.00 0.00 N ATOM 888 CA SER A 61 6.180 -12.477 -2.677 1.00 0.00 C ATOM 889 C SER A 61 6.956 -11.260 -2.222 1.00 0.00 C ATOM 890 O SER A 61 6.558 -10.123 -2.433 1.00 0.00 O ATOM 891 CB SER A 61 6.792 -13.030 -3.946 1.00 0.00 C ATOM 892 OG SER A 61 6.418 -12.314 -5.110 1.00 0.00 O ATOM 0 H SER A 61 4.514 -11.337 -3.272 1.00 0.00 H new ATOM 0 HA SER A 61 6.249 -13.172 -1.840 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.878 -13.016 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.496 -14.073 -4.059 1.00 0.00 H new ATOM 0 HG SER A 61 6.846 -12.718 -5.894 1.00 0.00 H new ATOM 898 N GLU A 62 8.120 -11.513 -1.630 1.00 0.00 N ATOM 899 CA GLU A 62 8.849 -10.535 -0.817 1.00 0.00 C ATOM 900 C GLU A 62 9.456 -9.369 -1.617 1.00 0.00 C ATOM 901 O GLU A 62 10.032 -8.442 -1.041 1.00 0.00 O ATOM 902 CB GLU A 62 9.959 -11.228 -0.005 1.00 0.00 C ATOM 903 CG GLU A 62 9.481 -12.414 0.851 1.00 0.00 C ATOM 904 CD GLU A 62 10.564 -12.996 1.769 1.00 0.00 C ATOM 905 OE1 GLU A 62 11.659 -12.402 1.915 1.00 0.00 O ATOM 906 OE2 GLU A 62 10.306 -14.073 2.353 1.00 0.00 O ATOM 0 H GLU A 62 8.593 -12.414 -1.700 1.00 0.00 H new ATOM 0 HA GLU A 62 8.101 -10.100 -0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.728 -11.580 -0.692 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.427 -10.491 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.637 -12.092 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.116 -13.201 0.191 1.00 0.00 H new ATOM 913 N GLY A 63 9.312 -9.374 -2.936 1.00 0.00 N ATOM 914 CA GLY A 63 9.805 -8.368 -3.851 1.00 0.00 C ATOM 915 C GLY A 63 8.742 -7.985 -4.870 1.00 0.00 C ATOM 916 O GLY A 63 9.114 -7.404 -5.893 1.00 0.00 O ATOM 0 H GLY A 63 8.819 -10.126 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.113 -7.484 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.689 -8.743 -4.367 1.00 0.00 H new ATOM 920 N ALA A 64 7.463 -8.307 -4.611 1.00 0.00 N ATOM 921 CA ALA A 64 6.360 -7.929 -5.480 1.00 0.00 C ATOM 922 C ALA A 64 6.367 -6.407 -5.504 1.00 0.00 C ATOM 923 O ALA A 64 6.438 -5.795 -4.435 1.00 0.00 O ATOM 924 CB ALA A 64 5.031 -8.536 -4.979 1.00 0.00 C ATOM 0 H ALA A 64 7.175 -8.838 -3.789 1.00 0.00 H new ATOM 0 HA ALA A 64 6.469 -8.317 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.221 -8.239 -5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.110 -9.623 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.823 -8.175 -3.972 1.00 0.00 H new ATOM 930 N GLU A 65 6.397 -5.801 -6.691 1.00 0.00 N ATOM 931 CA GLU A 65 6.060 -4.400 -6.823 1.00 0.00 C ATOM 932 C GLU A 65 4.553 -4.335 -6.669 1.00 0.00 C ATOM 933 O GLU A 65 3.803 -5.141 -7.233 1.00 0.00 O ATOM 934 CB GLU A 65 6.593 -3.761 -8.114 1.00 0.00 C ATOM 935 CG GLU A 65 6.226 -4.507 -9.400 1.00 0.00 C ATOM 936 CD GLU A 65 6.905 -3.952 -10.654 1.00 0.00 C ATOM 937 OE1 GLU A 65 8.081 -3.511 -10.579 1.00 0.00 O ATOM 938 OE2 GLU A 65 6.390 -4.106 -11.780 1.00 0.00 O ATOM 0 H GLU A 65 6.651 -6.262 -7.565 1.00 0.00 H new ATOM 0 HA GLU A 65 6.549 -3.798 -6.057 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.213 -2.741 -8.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.679 -3.693 -8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.494 -5.558 -9.288 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.145 -4.467 -9.536 1.00 0.00 H new ATOM 945 N VAL A 66 4.153 -3.431 -5.794 1.00 0.00 N ATOM 946 CA VAL A 66 2.795 -3.268 -5.340 1.00 0.00 C ATOM 947 C VAL A 66 2.467 -1.786 -5.354 1.00 0.00 C ATOM 948 O VAL A 66 3.361 -0.938 -5.318 1.00 0.00 O ATOM 949 CB VAL A 66 2.613 -3.910 -3.950 1.00 0.00 C ATOM 950 CG1 VAL A 66 2.869 -5.422 -3.993 1.00 0.00 C ATOM 951 CG2 VAL A 66 3.509 -3.310 -2.855 1.00 0.00 C ATOM 0 H VAL A 66 4.797 -2.765 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 66 2.097 -3.781 -6.002 1.00 0.00 H new ATOM 0 HB VAL A 66 1.576 -3.696 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.732 -5.843 -2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.168 -5.890 -4.684 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.889 -5.609 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.318 -3.818 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.556 -3.438 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.290 -2.248 -2.747 1.00 0.00 H new ATOM 961 N SER A 67 1.185 -1.467 -5.382 1.00 0.00 N ATOM 962 CA SER A 67 0.716 -0.114 -5.572 1.00 0.00 C ATOM 963 C SER A 67 -0.400 0.127 -4.564 1.00 0.00 C ATOM 964 O SER A 67 -1.492 -0.429 -4.666 1.00 0.00 O ATOM 965 CB SER A 67 0.349 0.120 -7.043 1.00 0.00 C ATOM 966 OG SER A 67 0.515 -1.025 -7.873 1.00 0.00 O ATOM 0 H SER A 67 0.436 -2.150 -5.272 1.00 0.00 H new ATOM 0 HA SER A 67 1.487 0.631 -5.375 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.689 0.449 -7.099 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.962 0.931 -7.435 1.00 0.00 H new ATOM 0 HG SER A 67 0.261 -0.802 -8.793 1.00 0.00 H new ATOM 972 N VAL A 68 -0.077 0.885 -3.519 1.00 0.00 N ATOM 973 CA VAL A 68 -1.026 1.254 -2.487 1.00 0.00 C ATOM 974 C VAL A 68 -1.851 2.421 -2.992 1.00 0.00 C ATOM 975 O VAL A 68 -1.367 3.202 -3.810 1.00 0.00 O ATOM 976 CB VAL A 68 -0.318 1.640 -1.182 1.00 0.00 C ATOM 977 CG1 VAL A 68 0.751 0.645 -0.747 1.00 0.00 C ATOM 978 CG2 VAL A 68 0.250 3.033 -1.192 1.00 0.00 C ATOM 0 H VAL A 68 0.860 1.260 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.664 0.398 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.118 1.612 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.207 0.985 0.183 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.296 -0.333 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.515 0.571 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.735 3.235 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.980 3.122 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.553 3.752 -1.350 1.00 0.00 H new ATOM 988 N SER A 69 -3.005 2.631 -2.375 1.00 0.00 N ATOM 989 CA SER A 69 -3.815 3.813 -2.567 1.00 0.00 C ATOM 990 C SER A 69 -4.549 4.101 -1.259 1.00 0.00 C ATOM 991 O SER A 69 -5.058 3.157 -0.642 1.00 0.00 O ATOM 992 CB SER A 69 -4.793 3.609 -3.735 1.00 0.00 C ATOM 993 OG SER A 69 -4.341 2.772 -4.785 1.00 0.00 O ATOM 0 H SER A 69 -3.408 1.967 -1.714 1.00 0.00 H new ATOM 0 HA SER A 69 -3.190 4.668 -2.824 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.719 3.193 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.036 4.585 -4.154 1.00 0.00 H new ATOM 0 HG SER A 69 -4.825 1.920 -4.756 1.00 0.00 H new ATOM 999 N VAL A 70 -4.625 5.362 -0.835 1.00 0.00 N ATOM 1000 CA VAL A 70 -5.477 5.807 0.259 1.00 0.00 C ATOM 1001 C VAL A 70 -6.079 7.172 -0.093 1.00 0.00 C ATOM 1002 O VAL A 70 -5.454 7.997 -0.762 1.00 0.00 O ATOM 1003 CB VAL A 70 -4.698 5.796 1.591 1.00 0.00 C ATOM 1004 CG1 VAL A 70 -3.429 6.661 1.581 1.00 0.00 C ATOM 1005 CG2 VAL A 70 -5.613 6.210 2.750 1.00 0.00 C ATOM 0 H VAL A 70 -4.082 6.117 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.309 5.117 0.399 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.362 4.769 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.939 6.600 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.749 6.301 0.809 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.697 7.697 1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.048 6.197 3.682 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.995 7.215 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.447 5.512 2.822 1.00 0.00 H new ATOM 1015 N TRP A 71 -7.322 7.390 0.333 1.00 0.00 N ATOM 1016 CA TRP A 71 -8.055 8.629 0.151 1.00 0.00 C ATOM 1017 C TRP A 71 -7.692 9.545 1.312 1.00 0.00 C ATOM 1018 O TRP A 71 -8.029 9.248 2.458 1.00 0.00 O ATOM 1019 CB TRP A 71 -9.556 8.325 0.106 1.00 0.00 C ATOM 1020 CG TRP A 71 -9.952 7.406 -1.012 1.00 0.00 C ATOM 1021 CD1 TRP A 71 -9.932 6.057 -0.925 1.00 0.00 C ATOM 1022 CD2 TRP A 71 -10.324 7.711 -2.397 1.00 0.00 C ATOM 1023 NE1 TRP A 71 -10.190 5.507 -2.158 1.00 0.00 N ATOM 1024 CE2 TRP A 71 -10.420 6.476 -3.105 1.00 0.00 C ATOM 1025 CE3 TRP A 71 -10.535 8.892 -3.151 1.00 0.00 C ATOM 1026 CZ2 TRP A 71 -10.627 6.415 -4.488 1.00 0.00 C ATOM 1027 CZ3 TRP A 71 -10.844 8.826 -4.528 1.00 0.00 C ATOM 1028 CH2 TRP A 71 -10.859 7.596 -5.204 1.00 0.00 C ATOM 0 H TRP A 71 -7.860 6.681 0.831 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.797 9.121 -0.787 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -9.856 7.879 1.054 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -10.105 9.262 0.006 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.742 5.496 -0.022 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.208 4.505 -2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.459 9.854 -2.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.608 5.464 -4.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.072 9.734 -5.067 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.048 7.561 -6.267 1.00 0.00 H new ATOM 1039 N THR A 72 -6.966 10.625 1.044 1.00 0.00 N ATOM 1040 CA THR A 72 -6.482 11.535 2.078 1.00 0.00 C ATOM 1041 C THR A 72 -6.219 12.892 1.418 1.00 0.00 C ATOM 1042 O THR A 72 -5.944 12.971 0.214 1.00 0.00 O ATOM 1043 CB THR A 72 -5.261 10.918 2.810 1.00 0.00 C ATOM 1044 OG1 THR A 72 -4.711 11.813 3.755 1.00 0.00 O ATOM 1045 CG2 THR A 72 -4.137 10.511 1.854 1.00 0.00 C ATOM 0 H THR A 72 -6.695 10.896 0.099 1.00 0.00 H new ATOM 0 HA THR A 72 -7.220 11.694 2.864 1.00 0.00 H new ATOM 0 HB THR A 72 -5.652 10.030 3.306 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.053 11.342 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.311 10.086 2.424 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.510 9.769 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.788 11.388 1.308 1.00 0.00 H new ATOM 1053 N GLY A 73 -6.357 13.978 2.181 1.00 0.00 N ATOM 1054 CA GLY A 73 -6.380 15.349 1.690 1.00 0.00 C ATOM 1055 C GLY A 73 -7.694 15.648 0.964 1.00 0.00 C ATOM 1056 O GLY A 73 -8.430 16.554 1.363 1.00 0.00 O ATOM 0 H GLY A 73 -6.459 13.920 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.255 16.040 2.524 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.541 15.511 1.013 1.00 0.00 H new ATOM 1060 N GLY A 74 -8.016 14.851 -0.053 1.00 0.00 N ATOM 1061 CA GLY A 74 -9.267 14.885 -0.796 1.00 0.00 C ATOM 1062 C GLY A 74 -9.237 14.015 -2.054 1.00 0.00 C ATOM 1063 O GLY A 74 -10.284 13.796 -2.658 1.00 0.00 O ATOM 0 H GLY A 74 -7.379 14.131 -0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.077 14.550 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.488 15.914 -1.078 1.00 0.00 H new ATOM 1067 N ALA A 75 -8.074 13.487 -2.455 1.00 0.00 N ATOM 1068 CA ALA A 75 -7.911 12.642 -3.632 1.00 0.00 C ATOM 1069 C ALA A 75 -7.269 11.317 -3.219 1.00 0.00 C ATOM 1070 O ALA A 75 -6.888 11.129 -2.059 1.00 0.00 O ATOM 1071 CB ALA A 75 -7.080 13.383 -4.692 1.00 0.00 C ATOM 0 H ALA A 75 -7.200 13.643 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.881 12.419 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.961 12.748 -5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.590 14.303 -4.976 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.099 13.624 -4.282 1.00 0.00 H new ATOM 1077 N LEU A 76 -7.155 10.390 -4.168 1.00 0.00 N ATOM 1078 CA LEU A 76 -6.474 9.123 -3.981 1.00 0.00 C ATOM 1079 C LEU A 76 -4.974 9.349 -4.139 1.00 0.00 C ATOM 1080 O LEU A 76 -4.462 9.441 -5.259 1.00 0.00 O ATOM 1081 CB LEU A 76 -7.003 8.105 -5.000 1.00 0.00 C ATOM 1082 CG LEU A 76 -6.493 6.676 -4.759 1.00 0.00 C ATOM 1083 CD1 LEU A 76 -6.890 6.194 -3.361 1.00 0.00 C ATOM 1084 CD2 LEU A 76 -7.055 5.724 -5.811 1.00 0.00 C ATOM 0 H LEU A 76 -7.543 10.507 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.662 8.725 -2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.093 8.104 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.713 8.422 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.406 6.686 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.521 5.180 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.456 6.856 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.976 6.203 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.684 4.716 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.144 5.725 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.740 6.050 -6.802 1.00 0.00 H new ATOM 1096 N CYS A 77 -4.268 9.472 -3.019 1.00 0.00 N ATOM 1097 CA CYS A 77 -2.827 9.365 -2.981 1.00 0.00 C ATOM 1098 C CYS A 77 -2.496 7.894 -3.230 1.00 0.00 C ATOM 1099 O CYS A 77 -2.805 7.038 -2.397 1.00 0.00 O ATOM 1100 CB CYS A 77 -2.308 9.839 -1.617 1.00 0.00 C ATOM 1101 SG CYS A 77 -2.588 11.622 -1.424 1.00 0.00 S ATOM 0 H CYS A 77 -4.691 9.650 -2.108 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.350 9.990 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -2.814 9.296 -0.819 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.244 9.619 -1.528 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.146 12.008 -0.264 1.00 0.00 H new ATOM 1107 N ARG A 78 -1.925 7.582 -4.391 1.00 0.00 N ATOM 1108 CA ARG A 78 -1.399 6.257 -4.699 1.00 0.00 C ATOM 1109 C ARG A 78 0.089 6.323 -4.430 1.00 0.00 C ATOM 1110 O ARG A 78 0.697 7.373 -4.660 1.00 0.00 O ATOM 1111 CB ARG A 78 -1.675 5.929 -6.168 1.00 0.00 C ATOM 1112 CG ARG A 78 -1.706 4.455 -6.590 1.00 0.00 C ATOM 1113 CD ARG A 78 -0.372 3.701 -6.758 1.00 0.00 C ATOM 1114 NE ARG A 78 0.062 3.596 -8.162 1.00 0.00 N ATOM 1115 CZ ARG A 78 -0.531 2.908 -9.151 1.00 0.00 C ATOM 1116 NH1 ARG A 78 -1.629 2.189 -8.943 1.00 0.00 N ATOM 1117 NH2 ARG A 78 -0.034 2.967 -10.377 1.00 0.00 N ATOM 0 H ARG A 78 -1.814 8.251 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.866 5.478 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -2.636 6.371 -6.433 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.917 6.431 -6.769 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.300 3.914 -5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.241 4.395 -7.538 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.401 4.210 -6.183 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.473 2.700 -6.340 1.00 0.00 H new ATOM 0 HE ARG A 78 0.910 4.104 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.044 2.149 -8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.057 1.677 -9.714 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.794 3.532 -10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.479 2.447 -11.133 1.00 0.00 H new ATOM 1131 N CYS A 79 0.684 5.228 -3.964 1.00 0.00 N ATOM 1132 CA CYS A 79 2.140 5.156 -3.932 1.00 0.00 C ATOM 1133 C CYS A 79 2.607 3.809 -4.481 1.00 0.00 C ATOM 1134 O CYS A 79 1.962 2.786 -4.240 1.00 0.00 O ATOM 1135 CB CYS A 79 2.630 5.377 -2.483 1.00 0.00 C ATOM 1136 SG CYS A 79 1.852 6.827 -1.761 1.00 0.00 S ATOM 0 H CYS A 79 0.198 4.403 -3.614 1.00 0.00 H new ATOM 0 HA CYS A 79 2.566 5.937 -4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.403 4.498 -1.879 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.713 5.498 -2.475 1.00 0.00 H new ATOM 0 HG CYS A 79 1.528 6.577 -0.527 1.00 0.00 H new ATOM 1142 N ASP A 80 3.729 3.785 -5.194 1.00 0.00 N ATOM 1143 CA ASP A 80 4.376 2.528 -5.567 1.00 0.00 C ATOM 1144 C ASP A 80 5.175 2.070 -4.357 1.00 0.00 C ATOM 1145 O ASP A 80 5.771 2.894 -3.654 1.00 0.00 O ATOM 1146 CB ASP A 80 5.386 2.691 -6.709 1.00 0.00 C ATOM 1147 CG ASP A 80 4.767 3.012 -8.057 1.00 0.00 C ATOM 1148 OD1 ASP A 80 3.801 2.345 -8.488 1.00 0.00 O ATOM 1149 OD2 ASP A 80 5.246 3.984 -8.680 1.00 0.00 O ATOM 0 H ASP A 80 4.210 4.621 -5.526 1.00 0.00 H new ATOM 0 HA ASP A 80 3.600 1.833 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.086 3.484 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.965 1.772 -6.799 1.00 0.00 H new ATOM 1154 N GLY A 81 5.267 0.763 -4.159 1.00 0.00 N ATOM 1155 CA GLY A 81 6.096 0.150 -3.144 1.00 0.00 C ATOM 1156 C GLY A 81 6.601 -1.214 -3.599 1.00 0.00 C ATOM 1157 O GLY A 81 6.332 -1.636 -4.730 1.00 0.00 O ATOM 0 H GLY A 81 4.750 0.085 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.943 0.799 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.526 0.041 -2.221 1.00 0.00 H new ATOM 1161 N ARG A 82 7.339 -1.908 -2.727 1.00 0.00 N ATOM 1162 CA ARG A 82 7.588 -3.348 -2.845 1.00 0.00 C ATOM 1163 C ARG A 82 7.300 -4.000 -1.501 1.00 0.00 C ATOM 1164 O ARG A 82 7.323 -3.299 -0.488 1.00 0.00 O ATOM 1165 CB ARG A 82 9.003 -3.692 -3.339 1.00 0.00 C ATOM 1166 CG ARG A 82 9.272 -3.047 -4.699 1.00 0.00 C ATOM 1167 CD ARG A 82 10.260 -3.807 -5.572 1.00 0.00 C ATOM 1168 NE ARG A 82 11.665 -3.572 -5.208 1.00 0.00 N ATOM 1169 CZ ARG A 82 12.713 -3.636 -6.039 1.00 0.00 C ATOM 1170 NH1 ARG A 82 12.551 -3.703 -7.357 1.00 0.00 N ATOM 1171 NH2 ARG A 82 13.925 -3.662 -5.502 1.00 0.00 N ATOM 0 H ARG A 82 7.784 -1.483 -1.913 1.00 0.00 H new ATOM 0 HA ARG A 82 6.919 -3.741 -3.611 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.741 -3.346 -2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 82 9.114 -4.774 -3.416 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.328 -2.954 -5.236 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.649 -2.037 -4.540 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.048 -4.874 -5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.109 -3.519 -6.613 1.00 0.00 H new ATOM 0 HE ARG A 82 11.859 -3.339 -4.234 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.612 -3.706 -7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.365 -3.751 -7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.034 -3.633 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.748 -3.711 -6.103 1.00 0.00 H new ATOM 1185 N VAL A 83 7.089 -5.317 -1.484 1.00 0.00 N ATOM 1186 CA VAL A 83 6.696 -6.049 -0.278 1.00 0.00 C ATOM 1187 C VAL A 83 7.721 -5.906 0.863 1.00 0.00 C ATOM 1188 O VAL A 83 7.336 -5.893 2.021 1.00 0.00 O ATOM 1189 CB VAL A 83 6.378 -7.512 -0.645 1.00 0.00 C ATOM 1190 CG1 VAL A 83 6.205 -8.424 0.571 1.00 0.00 C ATOM 1191 CG2 VAL A 83 5.082 -7.610 -1.464 1.00 0.00 C ATOM 0 H VAL A 83 7.186 -5.909 -2.309 1.00 0.00 H new ATOM 0 HA VAL A 83 5.786 -5.603 0.123 1.00 0.00 H new ATOM 0 HB VAL A 83 7.242 -7.845 -1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.983 -9.438 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.124 -8.428 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.384 -8.057 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.884 -8.654 -1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.252 -7.210 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.189 -7.036 -2.385 1.00 0.00 H new ATOM 1201 N GLU A 84 9.012 -5.753 0.573 1.00 0.00 N ATOM 1202 CA GLU A 84 10.120 -5.705 1.542 1.00 0.00 C ATOM 1203 C GLU A 84 10.312 -7.063 2.231 1.00 0.00 C ATOM 1204 O GLU A 84 11.376 -7.666 2.102 1.00 0.00 O ATOM 1205 CB GLU A 84 9.942 -4.537 2.539 1.00 0.00 C ATOM 1206 CG GLU A 84 11.237 -4.004 3.175 1.00 0.00 C ATOM 1207 CD GLU A 84 11.751 -4.826 4.369 1.00 0.00 C ATOM 1208 OE1 GLU A 84 11.289 -4.605 5.514 1.00 0.00 O ATOM 1209 OE2 GLU A 84 12.722 -5.593 4.200 1.00 0.00 O ATOM 0 H GLU A 84 9.336 -5.654 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 84 11.044 -5.504 1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.446 -3.715 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.274 -4.862 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.014 -3.972 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.069 -2.978 3.503 1.00 0.00 H new ATOM 1216 N THR A 85 9.310 -7.564 2.948 1.00 0.00 N ATOM 1217 CA THR A 85 9.297 -8.831 3.659 1.00 0.00 C ATOM 1218 C THR A 85 7.835 -9.286 3.744 1.00 0.00 C ATOM 1219 O THR A 85 6.976 -8.548 4.228 1.00 0.00 O ATOM 1220 CB THR A 85 9.926 -8.599 5.044 1.00 0.00 C ATOM 1221 OG1 THR A 85 11.285 -8.214 4.923 1.00 0.00 O ATOM 1222 CG2 THR A 85 9.907 -9.858 5.902 1.00 0.00 C ATOM 0 H THR A 85 8.430 -7.060 3.052 1.00 0.00 H new ATOM 0 HA THR A 85 9.872 -9.610 3.159 1.00 0.00 H new ATOM 0 HB THR A 85 9.330 -7.816 5.513 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.665 -8.070 5.815 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.361 -9.646 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.877 -10.183 6.048 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.469 -10.647 5.403 1.00 0.00 H new ATOM 1230 N LEU A 86 7.528 -10.480 3.232 1.00 0.00 N ATOM 1231 CA LEU A 86 6.209 -11.095 3.375 1.00 0.00 C ATOM 1232 C LEU A 86 6.212 -11.969 4.629 1.00 0.00 C ATOM 1233 O LEU A 86 7.277 -12.474 4.998 1.00 0.00 O ATOM 1234 CB LEU A 86 5.894 -11.954 2.139 1.00 0.00 C ATOM 1235 CG LEU A 86 4.383 -12.174 1.937 1.00 0.00 C ATOM 1236 CD1 LEU A 86 3.797 -11.051 1.079 1.00 0.00 C ATOM 1237 CD2 LEU A 86 4.096 -13.509 1.260 1.00 0.00 C ATOM 0 H LEU A 86 8.191 -11.049 2.705 1.00 0.00 H new ATOM 0 HA LEU A 86 5.447 -10.321 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.309 -11.474 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.388 -12.921 2.238 1.00 0.00 H new ATOM 0 HG LEU A 86 3.920 -12.175 2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.728 -11.217 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.955 -10.094 1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.289 -11.041 0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.020 -13.629 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.580 -13.534 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.482 -14.320 1.877 1.00 0.00 H new ATOM 1249 N ARG A 87 5.041 -12.225 5.219 1.00 0.00 N ATOM 1250 CA ARG A 87 4.887 -13.063 6.409 1.00 0.00 C ATOM 1251 C ARG A 87 3.796 -14.117 6.215 1.00 0.00 C ATOM 1252 O ARG A 87 4.060 -15.294 6.471 1.00 0.00 O ATOM 1253 CB ARG A 87 4.639 -12.155 7.622 1.00 0.00 C ATOM 1254 CG ARG A 87 4.558 -12.901 8.958 1.00 0.00 C ATOM 1255 CD ARG A 87 4.218 -11.900 10.064 1.00 0.00 C ATOM 1256 NE ARG A 87 4.169 -12.545 11.381 1.00 0.00 N ATOM 1257 CZ ARG A 87 4.083 -11.907 12.552 1.00 0.00 C ATOM 1258 NH1 ARG A 87 3.892 -10.595 12.628 1.00 0.00 N ATOM 1259 NH2 ARG A 87 4.178 -12.619 13.666 1.00 0.00 N ATOM 0 H ARG A 87 4.158 -11.848 4.876 1.00 0.00 H new ATOM 0 HA ARG A 87 5.802 -13.628 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.439 -11.417 7.679 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.710 -11.607 7.468 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.798 -13.681 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.507 -13.393 9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.962 -11.104 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.256 -11.434 9.851 1.00 0.00 H new ATOM 0 HE ARG A 87 4.203 -13.564 11.405 1.00 0.00 H new ATOM 0 HH11 ARG A 87 3.806 -10.042 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.831 -10.140 13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.313 -13.629 13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.116 -12.157 14.573 1.00 0.00 H new ATOM 1273 N ASP A 88 2.626 -13.750 5.702 1.00 0.00 N ATOM 1274 CA ASP A 88 1.503 -14.636 5.386 1.00 0.00 C ATOM 1275 C ASP A 88 0.928 -14.180 4.037 1.00 0.00 C ATOM 1276 O ASP A 88 1.343 -13.153 3.495 1.00 0.00 O ATOM 1277 CB ASP A 88 0.363 -14.527 6.430 1.00 0.00 C ATOM 1278 CG ASP A 88 0.661 -14.935 7.870 1.00 0.00 C ATOM 1279 OD1 ASP A 88 1.230 -14.110 8.613 1.00 0.00 O ATOM 1280 OD2 ASP A 88 0.149 -15.992 8.308 1.00 0.00 O ATOM 0 H ASP A 88 2.421 -12.775 5.483 1.00 0.00 H new ATOM 0 HA ASP A 88 1.866 -15.664 5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.020 -13.492 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.470 -15.135 6.078 1.00 0.00 H new ATOM 1285 N ASP A 89 -0.134 -14.845 3.568 1.00 0.00 N ATOM 1286 CA ASP A 89 -1.066 -14.364 2.538 1.00 0.00 C ATOM 1287 C ASP A 89 -1.653 -12.992 2.908 1.00 0.00 C ATOM 1288 O ASP A 89 -2.188 -12.282 2.058 1.00 0.00 O ATOM 1289 CB ASP A 89 -2.291 -15.300 2.387 1.00 0.00 C ATOM 1290 CG ASP A 89 -2.037 -16.806 2.420 1.00 0.00 C ATOM 1291 OD1 ASP A 89 -1.485 -17.291 3.436 1.00 0.00 O ATOM 1292 OD2 ASP A 89 -2.508 -17.523 1.509 1.00 0.00 O ATOM 0 H ASP A 89 -0.379 -15.774 3.910 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.480 -14.321 1.620 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -2.997 -15.061 3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -2.781 -15.062 1.443 1.00 0.00 H new ATOM 1297 N ARG A 90 -1.622 -12.644 4.199 1.00 0.00 N ATOM 1298 CA ARG A 90 -2.406 -11.582 4.806 1.00 0.00 C ATOM 1299 C ARG A 90 -1.516 -10.555 5.468 1.00 0.00 C ATOM 1300 O ARG A 90 -1.624 -9.378 5.135 1.00 0.00 O ATOM 1301 CB ARG A 90 -3.495 -12.164 5.734 1.00 0.00 C ATOM 1302 CG ARG A 90 -3.096 -13.313 6.670 1.00 0.00 C ATOM 1303 CD ARG A 90 -4.370 -13.877 7.314 1.00 0.00 C ATOM 1304 NE ARG A 90 -4.150 -15.162 7.985 1.00 0.00 N ATOM 1305 CZ ARG A 90 -3.448 -15.365 9.102 1.00 0.00 C ATOM 1306 NH1 ARG A 90 -2.901 -14.345 9.759 1.00 0.00 N ATOM 1307 NH2 ARG A 90 -3.291 -16.599 9.553 1.00 0.00 N ATOM 0 H ARG A 90 -1.021 -13.120 4.872 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.939 -11.042 4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.882 -11.351 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.318 -12.511 5.109 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.575 -14.092 6.113 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.409 -12.956 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.755 -13.157 8.036 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.135 -14.000 6.547 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.576 -15.983 7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.016 -13.393 9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.367 -14.515 10.611 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.704 -17.383 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -2.757 -16.766 10.406 1.00 0.00 H new ATOM 1321 N GLN A 91 -0.623 -10.964 6.363 1.00 0.00 N ATOM 1322 CA GLN A 91 0.343 -10.071 6.976 1.00 0.00 C ATOM 1323 C GLN A 91 1.567 -9.956 6.081 1.00 0.00 C ATOM 1324 O GLN A 91 2.097 -10.974 5.635 1.00 0.00 O ATOM 1325 CB GLN A 91 0.811 -10.628 8.323 1.00 0.00 C ATOM 1326 CG GLN A 91 -0.301 -11.038 9.289 1.00 0.00 C ATOM 1327 CD GLN A 91 0.302 -11.329 10.658 1.00 0.00 C ATOM 1328 OE1 GLN A 91 0.284 -10.488 11.555 1.00 0.00 O ATOM 1329 NE2 GLN A 91 0.917 -12.482 10.836 1.00 0.00 N ATOM 0 H GLN A 91 -0.552 -11.930 6.683 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.135 -9.101 7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 91 1.445 -11.495 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 91 1.433 -9.877 8.810 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.042 -10.242 9.367 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -0.819 -11.920 8.912 1.00 0.00 H new ATOM 0 HE21 GLN A 91 0.928 -13.175 10.088 1.00 0.00 H new ATOM 0 HE22 GLN A 91 1.382 -12.681 11.722 1.00 0.00 H new ATOM 1338 N PHE A 92 2.041 -8.740 5.851 1.00 0.00 N ATOM 1339 CA PHE A 92 3.312 -8.478 5.192 1.00 0.00 C ATOM 1340 C PHE A 92 3.680 -7.012 5.388 1.00 0.00 C ATOM 1341 O PHE A 92 2.830 -6.199 5.770 1.00 0.00 O ATOM 1342 CB PHE A 92 3.235 -8.861 3.706 1.00 0.00 C ATOM 1343 CG PHE A 92 1.979 -8.451 2.962 1.00 0.00 C ATOM 1344 CD1 PHE A 92 1.851 -7.149 2.449 1.00 0.00 C ATOM 1345 CD2 PHE A 92 0.925 -9.372 2.801 1.00 0.00 C ATOM 1346 CE1 PHE A 92 0.683 -6.766 1.772 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -0.242 -8.995 2.115 1.00 0.00 C ATOM 1348 CZ PHE A 92 -0.360 -7.693 1.597 1.00 0.00 C ATOM 0 H PHE A 92 1.543 -7.892 6.122 1.00 0.00 H new ATOM 0 HA PHE A 92 4.097 -9.091 5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.092 -8.420 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.339 -9.943 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 92 2.655 -6.440 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.014 -10.369 3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.585 -5.762 1.386 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -1.047 -9.704 1.986 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.254 -7.404 1.064 1.00 0.00 H new ATOM 1358 N ALA A 93 4.949 -6.695 5.137 1.00 0.00 N ATOM 1359 CA ALA A 93 5.453 -5.339 5.149 1.00 0.00 C ATOM 1360 C ALA A 93 5.207 -4.677 3.785 1.00 0.00 C ATOM 1361 O ALA A 93 4.748 -5.328 2.846 1.00 0.00 O ATOM 1362 CB ALA A 93 6.944 -5.358 5.502 1.00 0.00 C ATOM 0 H ALA A 93 5.661 -7.391 4.917 1.00 0.00 H new ATOM 0 HA ALA A 93 4.928 -4.752 5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.328 -4.338 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.079 -5.807 6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.486 -5.943 4.759 1.00 0.00 H new ATOM 1368 N ILE A 94 5.547 -3.392 3.659 1.00 0.00 N ATOM 1369 CA ILE A 94 5.705 -2.673 2.404 1.00 0.00 C ATOM 1370 C ILE A 94 6.702 -1.518 2.576 1.00 0.00 C ATOM 1371 O ILE A 94 6.524 -0.658 3.438 1.00 0.00 O ATOM 1372 CB ILE A 94 4.362 -2.117 1.880 1.00 0.00 C ATOM 1373 CG1 ILE A 94 3.474 -1.479 2.971 1.00 0.00 C ATOM 1374 CG2 ILE A 94 3.594 -3.156 1.044 1.00 0.00 C ATOM 1375 CD1 ILE A 94 2.271 -0.710 2.416 1.00 0.00 C ATOM 0 H ILE A 94 5.727 -2.802 4.471 1.00 0.00 H new ATOM 0 HA ILE A 94 6.084 -3.386 1.671 1.00 0.00 H new ATOM 0 HB ILE A 94 4.632 -1.295 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.116 -2.262 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.082 -0.801 3.571 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.656 -2.722 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 94 4.198 -3.451 0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.383 -4.032 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.695 -0.291 3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.621 0.096 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.640 -1.387 1.841 1.00 0.00 H new ATOM 1387 N ARG A 95 7.718 -1.440 1.716 1.00 0.00 N ATOM 1388 CA ARG A 95 8.567 -0.256 1.514 1.00 0.00 C ATOM 1389 C ARG A 95 7.864 0.596 0.476 1.00 0.00 C ATOM 1390 O ARG A 95 7.527 0.090 -0.590 1.00 0.00 O ATOM 1391 CB ARG A 95 9.965 -0.717 1.037 1.00 0.00 C ATOM 1392 CG ARG A 95 11.149 0.144 1.498 1.00 0.00 C ATOM 1393 CD ARG A 95 11.126 1.551 0.902 1.00 0.00 C ATOM 1394 NE ARG A 95 12.243 2.368 1.386 1.00 0.00 N ATOM 1395 CZ ARG A 95 12.572 3.586 0.939 1.00 0.00 C ATOM 1396 NH1 ARG A 95 11.908 4.168 -0.048 1.00 0.00 N ATOM 1397 NH2 ARG A 95 13.557 4.234 1.530 1.00 0.00 N ATOM 0 H ARG A 95 7.985 -2.223 1.119 1.00 0.00 H new ATOM 0 HA ARG A 95 8.714 0.321 2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.127 -1.738 1.383 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.964 -0.746 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 95 11.139 0.215 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.081 -0.348 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 95 11.169 1.485 -0.185 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.184 2.037 1.155 1.00 0.00 H new ATOM 0 HE ARG A 95 12.820 1.974 2.129 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.123 3.687 -0.488 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.181 5.097 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.052 3.806 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.824 5.163 1.205 1.00 0.00 H new ATOM 1411 N LEU A 96 7.613 1.859 0.804 1.00 0.00 N ATOM 1412 CA LEU A 96 7.034 2.869 -0.080 1.00 0.00 C ATOM 1413 C LEU A 96 8.190 3.475 -0.868 1.00 0.00 C ATOM 1414 O LEU A 96 9.228 3.720 -0.257 1.00 0.00 O ATOM 1415 CB LEU A 96 6.345 3.956 0.774 1.00 0.00 C ATOM 1416 CG LEU A 96 5.394 3.417 1.866 1.00 0.00 C ATOM 1417 CD1 LEU A 96 4.744 4.559 2.647 1.00 0.00 C ATOM 1418 CD2 LEU A 96 4.299 2.543 1.265 1.00 0.00 C ATOM 0 H LEU A 96 7.816 2.225 1.734 1.00 0.00 H new ATOM 0 HA LEU A 96 6.291 2.439 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.113 4.565 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.781 4.614 0.113 1.00 0.00 H new ATOM 0 HG LEU A 96 6.001 2.817 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.081 4.148 3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.518 5.159 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.169 5.186 1.965 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.647 2.179 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.715 3.128 0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.751 1.695 0.751 1.00 0.00 H new ATOM 1430 N VAL A 97 8.066 3.727 -2.174 1.00 0.00 N ATOM 1431 CA VAL A 97 9.196 4.192 -2.988 1.00 0.00 C ATOM 1432 C VAL A 97 8.879 5.448 -3.806 1.00 0.00 C ATOM 1433 O VAL A 97 7.724 5.836 -3.982 1.00 0.00 O ATOM 1434 CB VAL A 97 9.763 3.049 -3.855 1.00 0.00 C ATOM 1435 CG1 VAL A 97 10.291 1.886 -3.006 1.00 0.00 C ATOM 1436 CG2 VAL A 97 8.801 2.510 -4.915 1.00 0.00 C ATOM 0 H VAL A 97 7.194 3.617 -2.692 1.00 0.00 H new ATOM 0 HA VAL A 97 9.978 4.497 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 97 10.589 3.517 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.680 1.105 -3.660 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.088 2.244 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.481 1.481 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.287 1.710 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.906 2.121 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 97 8.524 3.314 -5.597 1.00 0.00 H new ATOM 1446 N GLY A 98 9.935 6.094 -4.303 1.00 0.00 N ATOM 1447 CA GLY A 98 9.955 7.393 -4.935 1.00 0.00 C ATOM 1448 C GLY A 98 9.400 8.388 -3.946 1.00 0.00 C ATOM 1449 O GLY A 98 9.930 8.554 -2.842 1.00 0.00 O ATOM 0 H GLY A 98 10.867 5.681 -4.266 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.971 7.664 -5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.358 7.385 -5.847 1.00 0.00 H new ATOM 1453 N ARG A 99 8.290 8.986 -4.343 1.00 0.00 N ATOM 1454 CA ARG A 99 7.442 9.834 -3.520 1.00 0.00 C ATOM 1455 C ARG A 99 5.996 9.619 -3.951 1.00 0.00 C ATOM 1456 O ARG A 99 5.736 9.246 -5.097 1.00 0.00 O ATOM 1457 CB ARG A 99 7.917 11.301 -3.629 1.00 0.00 C ATOM 1458 CG ARG A 99 7.613 12.137 -2.368 1.00 0.00 C ATOM 1459 CD ARG A 99 6.247 12.835 -2.385 1.00 0.00 C ATOM 1460 NE ARG A 99 6.311 14.211 -2.906 1.00 0.00 N ATOM 1461 CZ ARG A 99 5.284 14.897 -3.427 1.00 0.00 C ATOM 1462 NH1 ARG A 99 4.112 14.317 -3.650 1.00 0.00 N ATOM 1463 NH2 ARG A 99 5.449 16.168 -3.760 1.00 0.00 N ATOM 0 H ARG A 99 7.937 8.889 -5.295 1.00 0.00 H new ATOM 0 HA ARG A 99 7.509 9.575 -2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.991 11.315 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 99 7.438 11.768 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.664 11.487 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.391 12.891 -2.250 1.00 0.00 H new ATOM 0 HD2 ARG A 99 5.555 12.253 -2.994 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.842 12.854 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 99 7.215 14.683 -2.867 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.980 13.331 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.343 14.857 -4.047 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.353 16.619 -3.620 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.672 16.696 -4.157 1.00 0.00 H new ATOM 1477 N VAL A 100 5.061 9.845 -3.039 1.00 0.00 N ATOM 1478 CA VAL A 100 3.619 9.738 -3.234 1.00 0.00 C ATOM 1479 C VAL A 100 3.168 10.630 -4.399 1.00 0.00 C ATOM 1480 O VAL A 100 3.763 11.693 -4.614 1.00 0.00 O ATOM 1481 CB VAL A 100 2.971 10.206 -1.918 1.00 0.00 C ATOM 1482 CG1 VAL A 100 1.445 10.211 -1.973 1.00 0.00 C ATOM 1483 CG2 VAL A 100 3.457 9.432 -0.675 1.00 0.00 C ATOM 0 H VAL A 100 5.301 10.124 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 100 3.327 8.717 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 100 3.309 11.236 -1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.048 10.550 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.112 10.884 -2.763 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.085 9.203 -2.179 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.956 9.818 0.213 1.00 0.00 H new ATOM 0 HG22 VAL A 100 3.224 8.374 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.534 9.557 -0.567 1.00 0.00 H new ATOM 1493 N ARG A 101 2.071 10.285 -5.080 1.00 0.00 N ATOM 1494 CA ARG A 101 1.417 11.150 -6.057 1.00 0.00 C ATOM 1495 C ARG A 101 -0.100 10.947 -5.947 1.00 0.00 C ATOM 1496 O ARG A 101 -0.559 9.901 -5.485 1.00 0.00 O ATOM 1497 CB ARG A 101 2.001 10.794 -7.441 1.00 0.00 C ATOM 1498 CG ARG A 101 1.494 11.696 -8.570 1.00 0.00 C ATOM 1499 CD ARG A 101 1.955 11.238 -9.957 1.00 0.00 C ATOM 1500 NE ARG A 101 3.378 11.515 -10.178 1.00 0.00 N ATOM 1501 CZ ARG A 101 4.210 10.846 -10.978 1.00 0.00 C ATOM 1502 NH1 ARG A 101 3.793 9.856 -11.762 1.00 0.00 N ATOM 1503 NH2 ARG A 101 5.487 11.190 -10.985 1.00 0.00 N ATOM 0 H ARG A 101 1.609 9.383 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 101 1.597 12.211 -5.884 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.088 10.859 -7.395 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.753 9.759 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.405 11.721 -8.546 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.840 12.715 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.772 10.169 -10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.364 11.742 -10.721 1.00 0.00 H new ATOM 0 HE ARG A 101 3.774 12.303 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.809 9.587 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 101 4.457 9.366 -12.361 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.814 11.950 -10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.145 10.695 -11.587 1.00 0.00 H new ATOM 1517 N GLU A 102 -0.901 11.918 -6.381 1.00 0.00 N ATOM 1518 CA GLU A 102 -2.338 11.741 -6.571 1.00 0.00 C ATOM 1519 C GLU A 102 -2.580 11.296 -8.013 1.00 0.00 C ATOM 1520 O GLU A 102 -2.033 11.892 -8.943 1.00 0.00 O ATOM 1521 CB GLU A 102 -3.130 12.997 -6.159 1.00 0.00 C ATOM 1522 CG GLU A 102 -2.647 14.357 -6.699 1.00 0.00 C ATOM 1523 CD GLU A 102 -2.897 14.599 -8.190 1.00 0.00 C ATOM 1524 OE1 GLU A 102 -4.067 14.534 -8.635 1.00 0.00 O ATOM 1525 OE2 GLU A 102 -1.924 14.905 -8.924 1.00 0.00 O ATOM 0 H GLU A 102 -0.569 12.854 -6.612 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.715 10.960 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -4.164 12.859 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.132 13.050 -5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -3.138 15.148 -6.133 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.577 14.445 -6.508 1.00 0.00 H new ATOM 1532 N LEU A 103 -3.336 10.209 -8.209 1.00 0.00 N ATOM 1533 CA LEU A 103 -3.629 9.702 -9.553 1.00 0.00 C ATOM 1534 C LEU A 103 -5.122 9.420 -9.802 1.00 0.00 C ATOM 1535 O LEU A 103 -5.509 9.270 -10.961 1.00 0.00 O ATOM 1536 CB LEU A 103 -2.732 8.517 -9.989 1.00 0.00 C ATOM 1537 CG LEU A 103 -1.788 7.839 -8.981 1.00 0.00 C ATOM 1538 CD1 LEU A 103 -1.401 6.458 -9.517 1.00 0.00 C ATOM 1539 CD2 LEU A 103 -0.474 8.582 -8.720 1.00 0.00 C ATOM 0 H LEU A 103 -3.755 9.665 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.366 10.534 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.391 7.743 -10.383 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.118 8.867 -10.819 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.345 7.812 -8.045 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.731 5.968 -8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.299 5.853 -9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.897 6.569 -10.477 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.121 8.025 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.082 8.676 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.690 9.575 -8.325 1.00 0.00 H new ATOM 1551 N GLN A 104 -5.986 9.401 -8.780 1.00 0.00 N ATOM 1552 CA GLN A 104 -7.438 9.432 -8.976 1.00 0.00 C ATOM 1553 C GLN A 104 -8.059 10.473 -8.058 1.00 0.00 C ATOM 1554 O GLN A 104 -7.516 10.781 -6.994 1.00 0.00 O ATOM 1555 CB GLN A 104 -8.102 8.067 -8.717 1.00 0.00 C ATOM 1556 CG GLN A 104 -7.614 6.900 -9.588 1.00 0.00 C ATOM 1557 CD GLN A 104 -8.476 5.650 -9.367 1.00 0.00 C ATOM 1558 OE1 GLN A 104 -8.934 5.365 -8.263 1.00 0.00 O ATOM 1559 NE2 GLN A 104 -8.692 4.852 -10.393 1.00 0.00 N ATOM 0 H GLN A 104 -5.700 9.364 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.612 9.689 -10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -7.946 7.803 -7.671 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -9.177 8.176 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -7.647 7.187 -10.639 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.574 6.675 -9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.313 5.087 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.238 4.000 -10.270 1.00 0.00 H new ATOM 1568 N ARG A 105 -9.238 10.976 -8.430 1.00 0.00 N ATOM 1569 CA ARG A 105 -10.050 11.862 -7.601 1.00 0.00 C ATOM 1570 C ARG A 105 -11.336 11.175 -7.156 1.00 0.00 C ATOM 1571 O ARG A 105 -11.937 11.614 -6.179 1.00 0.00 O ATOM 1572 CB ARG A 105 -10.367 13.184 -8.330 1.00 0.00 C ATOM 1573 CG ARG A 105 -9.135 13.969 -8.814 1.00 0.00 C ATOM 1574 CD ARG A 105 -8.594 13.496 -10.177 1.00 0.00 C ATOM 1575 NE ARG A 105 -8.822 14.475 -11.252 1.00 0.00 N ATOM 1576 CZ ARG A 105 -8.996 14.198 -12.551 1.00 0.00 C ATOM 1577 NH1 ARG A 105 -9.076 12.944 -12.992 1.00 0.00 N ATOM 1578 NH2 ARG A 105 -9.121 15.199 -13.408 1.00 0.00 N ATOM 0 H ARG A 105 -9.662 10.773 -9.335 1.00 0.00 H new ATOM 0 HA ARG A 105 -9.465 12.100 -6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -11.001 12.965 -9.189 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -10.946 13.821 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -9.393 15.026 -8.883 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.344 13.881 -8.069 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -7.525 13.301 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -9.070 12.552 -10.444 1.00 0.00 H new ATOM 0 HE ARG A 105 -8.850 15.458 -10.982 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -9.005 12.167 -12.335 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.209 12.761 -13.987 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.084 16.163 -13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -9.254 15.007 -14.401 1.00 0.00 H new ATOM 1592 N ARG A 106 -11.736 10.074 -7.795 1.00 0.00 N ATOM 1593 CA ARG A 106 -13.007 9.357 -7.621 1.00 0.00 C ATOM 1594 C ARG A 106 -12.980 8.156 -8.583 1.00 0.00 C ATOM 1595 O ARG A 106 -11.900 7.793 -9.044 1.00 0.00 O ATOM 1596 CB ARG A 106 -14.166 10.344 -7.877 1.00 0.00 C ATOM 1597 CG ARG A 106 -14.947 10.761 -6.622 1.00 0.00 C ATOM 1598 CD ARG A 106 -16.112 9.819 -6.301 1.00 0.00 C ATOM 1599 NE ARG A 106 -16.969 10.408 -5.258 1.00 0.00 N ATOM 1600 CZ ARG A 106 -18.162 9.978 -4.834 1.00 0.00 C ATOM 1601 NH1 ARG A 106 -18.726 8.879 -5.325 1.00 0.00 N ATOM 1602 NH2 ARG A 106 -18.784 10.670 -3.894 1.00 0.00 N ATOM 0 H ARG A 106 -11.143 9.628 -8.495 1.00 0.00 H new ATOM 0 HA ARG A 106 -13.153 8.972 -6.612 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -13.764 11.239 -8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -14.860 9.892 -8.586 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -14.267 10.792 -5.771 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -15.331 11.772 -6.759 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -16.698 9.633 -7.201 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -15.728 8.855 -5.966 1.00 0.00 H new ATOM 0 HE ARG A 106 -16.608 11.247 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -18.247 8.338 -6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -19.637 8.576 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -18.353 11.511 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -19.695 10.363 -3.553 1.00 0.00 H new ATOM 1616 N GLU A 107 -14.128 7.525 -8.853 1.00 0.00 N ATOM 1617 CA GLU A 107 -14.282 6.392 -9.777 1.00 0.00 C ATOM 1618 C GLU A 107 -13.446 5.194 -9.325 1.00 0.00 C ATOM 1619 O GLU A 107 -12.631 4.626 -10.047 1.00 0.00 O ATOM 1620 CB GLU A 107 -14.098 6.837 -11.242 1.00 0.00 C ATOM 1621 CG GLU A 107 -15.341 7.634 -11.668 1.00 0.00 C ATOM 1622 CD GLU A 107 -15.171 8.421 -12.969 1.00 0.00 C ATOM 1623 OE1 GLU A 107 -14.218 9.238 -13.052 1.00 0.00 O ATOM 1624 OE2 GLU A 107 -16.089 8.365 -13.822 1.00 0.00 O ATOM 0 H GLU A 107 -15.009 7.798 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 107 -15.308 6.025 -9.743 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -13.202 7.450 -11.342 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -13.965 5.969 -11.888 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -16.178 6.945 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -15.604 8.328 -10.870 1.00 0.00 H new ATOM 1631 N TYR A 108 -13.702 4.798 -8.078 1.00 0.00 N ATOM 1632 CA TYR A 108 -13.219 3.571 -7.451 1.00 0.00 C ATOM 1633 C TYR A 108 -13.958 2.271 -7.814 1.00 0.00 C ATOM 1634 O TYR A 108 -14.074 1.349 -7.007 1.00 0.00 O ATOM 1635 CB TYR A 108 -12.998 3.773 -5.964 1.00 0.00 C ATOM 1636 CG TYR A 108 -14.216 3.997 -5.110 1.00 0.00 C ATOM 1637 CD1 TYR A 108 -15.471 3.982 -5.718 1.00 0.00 C ATOM 1638 CD2 TYR A 108 -14.089 4.217 -3.729 1.00 0.00 C ATOM 1639 CE1 TYR A 108 -16.637 4.160 -4.957 1.00 0.00 C ATOM 1640 CE2 TYR A 108 -15.245 4.390 -2.947 1.00 0.00 C ATOM 1641 CZ TYR A 108 -16.521 4.333 -3.559 1.00 0.00 C ATOM 1642 OH TYR A 108 -17.635 4.552 -2.818 1.00 0.00 O ATOM 0 H TYR A 108 -14.281 5.353 -7.448 1.00 0.00 H new ATOM 0 HA TYR A 108 -12.249 3.383 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.472 2.899 -5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.333 4.627 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -15.547 3.832 -6.785 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -13.112 4.253 -3.271 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -17.607 4.165 -5.432 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.160 4.566 -1.885 1.00 0.00 H new ATOM 0 HH TYR A 108 -17.387 4.649 -1.875 1.00 0.00 H new ATOM 1652 N PHE A 109 -14.543 2.266 -8.993 1.00 0.00 N ATOM 1653 CA PHE A 109 -15.276 1.187 -9.635 1.00 0.00 C ATOM 1654 C PHE A 109 -15.119 1.362 -11.140 1.00 0.00 C ATOM 1655 O PHE A 109 -14.609 2.423 -11.563 1.00 0.00 O ATOM 1656 CB PHE A 109 -16.757 1.193 -9.216 1.00 0.00 C ATOM 1657 CG PHE A 109 -17.532 2.444 -9.595 1.00 0.00 C ATOM 1658 CD1 PHE A 109 -18.002 2.622 -10.910 1.00 0.00 C ATOM 1659 CD2 PHE A 109 -17.816 3.421 -8.623 1.00 0.00 C ATOM 1660 CE1 PHE A 109 -18.719 3.779 -11.260 1.00 0.00 C ATOM 1661 CE2 PHE A 109 -18.533 4.582 -8.969 1.00 0.00 C ATOM 1662 CZ PHE A 109 -18.971 4.765 -10.291 1.00 0.00 C ATOM 0 H PHE A 109 -14.517 3.096 -9.586 1.00 0.00 H new ATOM 0 HA PHE A 109 -14.877 0.220 -9.327 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -17.249 0.330 -9.666 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -16.813 1.064 -8.135 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -17.810 1.864 -11.655 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -17.482 3.279 -7.606 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -19.075 3.910 -12.271 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -18.746 5.330 -8.220 1.00 0.00 H new ATOM 0 HZ PHE A 109 -19.502 5.665 -10.563 1.00 0.00 H new TER 1672 PHE A 109